Team:TU-Munich/AnnotatorCode.js

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Revision as of 13:29, 22 October 2013

/**

*  DATA VALUES
*/

var amino_acids = {A:0,R:0,N:0,D:0,C:0,Q:0,E:0,G:0,I:0,H:0,K:0,L:0,M:0,F:0,P:0,S:0,T:0,W:0,Y:0,V:0};

// amino acid weights - http://web.expasy.org/findmod/findmod_masses.html#AA var amino_weights = { "A": 71.0788, "C": 103.1388, "D": 115.0886, "E": 129.1155, "F": 147.1766, "G": 57.0519, "H": 137.1411, "I": 113.1594, "K": 128.1741, "L": 113.1594, "M": 131.1926, "N": 114.1038, "P": 97.1167, "Q": 128.1307, "R": 156.1875, "S": 87.0782, "T": 101.1051, "V": 99.1326, "W": 186.2132, "Y": 163.1760 }; var water_weight = 18.01528; //average molecular weight of one molecule of water

// Extinction coefficients for Y(Tyr) and W(Trp), as well as Cystine (formed by disulfide bond of two Cysteine) var extinction = { Y:1490 , W:5500 , Cystine:125 };

//Kyte & Doolittle index of hydrophobicity // see http://www.sciencedirect.com/science/article/pii/0022283682905150 var k_d_hydrophobicity = { 'A': 1.8, 'R':-4.5, 'N':-3.5, 'D':-3.5, 'C': 2.5,

     'Q':-3.5, 'E':-3.5, 'G':-0.4, 'H':-3.2, 'I': 4.5,
     'L': 3.8, 'K':-3.9, 'M': 1.9, 'F': 2.8, 'P':-1.6,
     'S':-0.8, 'T':-0.7, 'W':-0.9, 'Y':-1.3, 'V': 4.2 };

//For the computation of the charge plot // following http://emboss.sourceforge.net/apps/release/6.5/emboss/apps/charge.html var emboss_charge = { 'A': 0, 'R':+1, 'N': 0, 'D': -1, 'C': 0, 'Q': 0, 'E':-1, 'G': 0, 'H':0.5, 'I': 0, 'L': 0, 'K':+1, 'M': 0, 'F': 0, 'P': 0, 'S': 0, 'T': 0, 'W': 0, 'Y': 0, 'V': 0 };

// Data for the calculation of the Isoelectric Point /* pK values are from:

	* Bjellqvist, B.,Hughes, G.J., Pasquali, Ch., Paquet, N., Ravier, F., Sanchez,

J.-Ch., Frutiger, S. & Hochstrasser, D.F. The focusing positions of polypeptides in immobilized pH gradients can be predicted from their amino acid sequences. Electrophoresis 1993, 14, 1023-1031. * Bjellqvist, B., Basse, B., Olsen, E. and Celis, J.E. Reference points for comparisons of two-dimensional maps of proteins from different human cell types defined in a pH scale where isoelectric points correlate with polypeptide compositions. Electrophoresis 1994, 15, 529-539.

/

var charged_aas = ['K', 'R', 'H', 'D', 'E', 'C', 'Y'];

var translation_table = { 'TTT': 'F', 'TTC': 'F', 'TTA': 'L', 'TTG': 'L', 'TCT': 'S', 'TCC': 'S', 'TCA': 'S', 'TCG': 'S', 'TAT': 'Y', 'TAC': 'Y', 'TGT': 'C', 'TGC': 'C', 'TGG': 'W', 'CTT': 'L', 'CTC': 'L', 'CTA': 'L', 'CTG': 'L', 'CCT': 'P', 'CCC': 'P', 'CCA': 'P', 'CCG': 'P', 'CAT': 'H', 'CAC': 'H', 'CAA': 'Q', 'CAG': 'Q', 'CGT': 'R', 'CGC': 'R', 'CGA': 'R', 'CGG': 'R', 'ATT': 'I', 'ATC': 'I', 'ATA': 'I', 'ATG': 'M', 'ACT': 'T', 'ACC': 'T', 'ACA': 'T', 'ACG': 'T', 'AAT': 'N', 'AAC': 'N', 'AAA': 'K', 'AAG': 'K', 'AGT': 'S', 'AGC': 'S', 'AGA': 'R', 'AGG': 'R', 'GTT': 'V', 'GTC': 'V', 'GTA': 'V', 'GTG': 'V', 'GCT': 'A', 'GCC': 'A', 'GCA': 'A', 'GCG': 'A', 'GAT': 'D', 'GAC': 'D', 'GAA': 'E', 'GAG': 'E', 'GGT': 'G', 'GGC': 'G', 'GGA': 'G', 'GGG': 'G', 'TAA': '*', //STOP CODONS, shouldn't appear and already be removed 'TAG': '*', 'TGA': '*' };

var reverse_translation_table = { "A": ["GCT","GCC","GCA","GCG"], "C": ["TGT","TGC"], "D": ["GAT","GAC"], "E": ["GAA","GAG"], "F": ["TTT","TTC"], "G": ["GGT","GGC","GGA","GGG"], "H": ["CAT","CAC"], "I": ["ATT","ATC","ATA"], "K": ["AAA","AAG"], "L": ["TTA","TTG","CTT","CTC","CTA","CTG"], "M": ["ATG"], "N": ["AAT","AAC"], "P": ["CCT","CCC","CCA","CCG"], "Q": ["CAA","CAG"], "R": ["CGT","CGC","CGA","CGG","AGA","AGG"], "S": ["TCT","TCC","TCA","TCG","AGT","AGC"], "T": ["ACT","ACC","ACA","ACG"], "V": ["GTT","GTC","GTA","GTG"], "W": ["TGG"], "Y": ["TAT","TAC"] };

var stop_codons = {'TAA':0,'TAG':0, 'TGA' :0};

var non_synonymous_codons = { //these are excluded from the calculation of the CAI 'ATG':0, 'TGG':0 }; var non_synonymous_acids = { //these are ignored in the calculation of the tRNA usage 'M':0, 'W':0 };

var atomic_composition_of_aa = { // [ C , H , N , O , S ] // helpful: http://www.matrixscience.com/help/aa_help.html A: [3, 5,1,1,0], R: [6,12,4,1,0], N: [4, 6,2,2,0], D: [4, 5,1,3,0], C: [3, 5,1,1,1], Q: [5, 8,2,2,0], E: [5, 7,1,3,0], G: [2, 3,1,1,0], H: [6, 7,3,1,0], I: [6,11,1,1,0], L: [6,11,1,1,0], K: [6,12,2,1,0], M: [5, 9,1,1,1], F: [9, 9,1,1,0], P: [5, 7,1,1,0], S: [3, 5,1,2,0], T: [4, 7,1,2,0], W: [11,10,2,1,0], Y: [9, 9,1,2,0], V: [5, 9,1,1,0]};

// weights for the calculation of the CAI (codon adaptation index), see e.g. http://www.ihes.fr/~carbone/papers/Bioinformatics.pdf // method based on: Sharp,P.M. and Li,W-H. (1987) The codon adaptation index—a measure of directional synonymous codon usage bias, and its potential applications var E_coli_codon_weights = { //from http://www.kazusa.or.jp/codon/cgi-bin/showcodon.cgi?species=37762&aa=1&style=N for E.coli & computing the weights for CAI calculation 'TTT': 1, 'TTC': 36/64, 'TTA': 18/38, 'TTG': 13/38, 'TCT': 18/20, 'TCC': 14/20, 'TCA': 18/20, 'TCG': 11/20, 'TAT': 1, 'TAC': 35/65, 'TGT': 1, 'TGC': 48/52, 'TGG': 1, 'CTT': 15/38, 'CTC': 10/38, 'CTA': 6/38, 'CTG': 1, 'CCT': 24/37, 'CCC': 16/37, 'CCA': 23/37, 'CCG': 1, 'CAT': 1, 'CAC': 37/63, 'CAA': 35/65, 'CAG': 1, 'CGT': 1, 'CGC': 26/30, 'CGA': 9/30, 'CGG': 15/30, 'ATT': 1, 'ATC': 31/47, 'ATA': 21/47, 'ATG': 1, 'ACT': 22/31, 'ACC': 1, 'ACA': 25/31, 'ACG': 22/31, 'AAT': 1, 'AAC': 41/59, 'AAA': 1, 'AAG': 29/71, 'AGT': 18/20, 'AGC': 1, 'AGA': 13/30, 'AGG': 7/30, 'GTT': 1, 'GTC': 19/32, 'GTA': 19/32, 'GTG': 29/32, 'GCT': 22/27, 'GCC': 26/27, 'GCA': 1, 'GCG': 25/27, 'GAT': 1, 'GAC': 35/65, 'GAA': 1, 'GAG': 36/64, 'GGT': 1, 'GGC': 29/34, 'GGA': 19/34, 'GGG': 18/34, 'TAA': 1, //STOP CODONS, shouldn't appear and already be removed 'TAG': 9/58, 'TGA': 33/58 };

var Mouse_codon_weights = { //from http://www.kazusa.or.jp/codon/cgi-bin/showcodon.cgi?species=10090&aa=1&style=N for mus musculus & computing the weights for CAI calculation 'TTT': 44/56, 'TTC': 1, 'TTA': 7/39, 'TTG': 13/39, 'TCT': 20/24, 'TCC': 22/24, 'TCA': 14/24, 'TCG': 5/24, 'TAT': 43/57, 'TAC': 1, 'TGT': 48/52, 'TGC': 1, 'TGG': 1, 'CTT': 13/39, 'CTC': 20/39, 'CTA': 8/39, 'CTG': 1, 'CCT': 1, 'CCC': 30/31, 'CCA': 29/31, 'CCG': 10/31, 'CAT': 41/59, 'CAC': 1, 'CAA': 26/74, 'CAG': 1, 'CGT': 8/22, 'CGC': 17/22, 'CGA': 12/22, 'CGG': 19/22, 'ATT': 34/50, 'ATC': 1, 'ATA': 16/50, 'ATG': 1, 'ACT': 25/35, 'ACC': 1, 'ACA': 29/35, 'ACG': 10/35, 'AAT': 43/57, 'AAC': 1, 'AAA': 39/61, 'AAG': 1, 'AGT': 15/24, 'AGC': 1, 'AGA': 1, 'AGG': 1, 'GTT': 17/46, 'GTC': 25/46, 'GTA': 12/46, 'GTG': 1, 'GCT': 29/38, 'GCC': 1, 'GCA': 23/38, 'GCG': 9/38, 'GAT': 45/55, 'GAC': 1, 'GAA': 41/59, 'GAG': 1, 'GGT': 18/33, 'GGC': 1, 'GGA': 26/33, 'GGG': 23/33, 'TAA': 28/49, //STOP CODONS, shouldn't appear and already be removed 'TAG': 23/49, 'TGA': 1 };

var Yeast_codon_weights = { //from http://www.kazusa.or.jp/codon/cgi-bin/showcodon.cgi?species=4932&aa=1&style=N for Saccharomyces cerevisiae & computing the weights for CAI calculation 'TTT': 1, 'TTC': 41/59, 'TTA': 28/29, 'TTG': 1, 'TCT': 1, 'TCC': 16/26, 'TCA': 21/26, 'TCG': 10/26, 'TAT': 1, 'TAC': 44/56, 'TGT': 1, 'TGC': 37/63, 'TGG': 1, 'CTT': 13/29, 'CTC': 6/29, 'CTA': 14/29, 'CTG': 11/29, 'CCT': 31/42, 'CCC': 15/42, 'CCA': 1, 'CCG': 12/42, 'CAT': 1, 'CAC': 36/64, 'CAA': 1, 'CAG': 31/69, 'CGT': 14/48, 'CGC': 6/48, 'CGA': 7/48, 'CGG': 4/48, 'ATT': 1, 'ATC': 26/46, 'ATA': 27/46, 'ATG': 1, 'ACT': 1, 'ACC': 22/35, 'ACA': 30/35, 'ACG': 14/35, 'AAT': 1, 'AAC': 41/59, 'AAA': 1, 'AAG': 42/58, 'AGT': 16/26, 'AGC': 11/26, 'AGA': 1, 'AGG': 21/48, 'GTT': 1, 'GTC': 21/39, 'GTA': 21/39, 'GTG': 19/39, 'GCT': 1, 'GCC': 22/38, 'GCA': 29/38, 'GCG': 11/38, 'GAT': 1, 'GAC': 35/65, 'GAA': 1, 'GAG': 30/70, 'GGT': 1, 'GGC': 19/47, 'GGA': 22/47, 'GGG': 12/47, 'TAA': 1, //STOP CODONS, shouldn't appear and already be removed 'TAG': 23/47, 'TGA': 30/47 };

var Arabidopsis_codon_weights = { // from http://www.kazusa.or.jp/codon/cgi-bin/showcodon.cgi?species=3702&aa=1&style=N 'TTT': 1, 'TTC': 49/51, 'TTA': 14/26, 'TTG': 22/26, 'TCT': 1, 'TCC': 13/28, 'TCA': 20/28, 'TCG': 10/28, 'TAT': 1, 'TAC': 48/52, 'TGT': 1, 'TGC': 40/60, 'TGG': 1, 'CTT': 1, 'CTC': 17/26, 'CTA': 11/26, 'CTG': 11/26, 'CCT': 1, 'CCC': 11/38, 'CCA': 33/38, 'CCG': 18/38, 'CAT': 1, 'CAC': 39/61, 'CAA': 1, 'CAG': 44/56, 'CGT': 17/35, 'CGC': 7/35, 'CGA': 12/35, 'CGG':9/35, 'ATT': 1, 'ATC': 35/41, 'ATA': 24/41, 'ATG': 1, 'ACT': 1, 'ACC': 20/34, 'ACA': 31/34, 'ACG': 15/34, 'AAT': 1, 'AAC': 48/52, 'AAA': 49/51, 'AAG': 1, 'AGT': 16/28, 'AGC': 13/28, 'AGA': 1, 'AGG': 20/35, 'GTT': 1, 'GTC': 19/40, 'GTA': 15/40, 'GTG': 26/40, 'GCT': 1, 'GCC': 16/43, 'GCA': 27/43, 'GCG': 14/43, 'GAT': 1, 'GAC': 32/68, 'GAA': 1, 'GAG': 48/52, 'GGT': 34/37, 'GGC': 14/37, 'GGA': 1, 'GGG': 16/37, 'TAA': 36/44, //STOP CODONS, shouldn't appear and already be removed 'TAG': 20/44, 'TGA': 1 };

var Subtilis_codon_weights = { //http://www.kazusa.or.jp/codon/cgi-bin/showcodon.cgi?species=1423&aa=1&style=N 'TTT': 1, 'TTC': 32/68, 'TTA': 21/24, 'TTG': 16/24, 'TCT': 20/23, 'TCC': 13/23, 'TCA': 1, 'TCG': 10/23, 'TAT': 1, 'TAC': 35/65, 'TGT': 46/54, 'TGC': 1, 'TGG': 1, 'CTT': 23/24, 'CTC': 11/24, 'CTA': 5/24, 'CTG': 1, 'CCT': 28/44, 'CCC': 9/44, 'CCA': 19/44, 'CCG': 1, 'CAT': 1, 'CAC': 32/68, 'CAA': 1, 'CAG': 48/52, 'CGT': 18/25, 'CGC': 20/25, 'CGA': 10/25, 'CGG': 17/25, 'ATT': 1, 'ATC': 37/49, 'ATA': 13/49, 'ATG': 1, 'ACT': 16/40, 'ACC': 17/40, 'ACA': 1, 'ACG': 27/40, 'AAT': 1, 'AAC': 44/56, 'AAA': 1, 'AAG': 30/70, 'AGT': 11/23, 'AGC': 1, 'AGA': 1, 'AGG': 10/25, 'GTT': 1, 'GTC': 26/28, 'GTA': 20/28, 'GTG': 26/28, 'GCT': 24/28, 'GCC': 22/28, 'GCA': 1, 'GCG': 26/28, 'GAT': 1, 'GAC': 36/64, 'GAA': 1, 'GAG': 32/68, 'GGT': 19/34, 'GGC': 1, 'GGA': 31/34, 'GGG': 16/34, 'TAA': 1, //STOP CODONS, shouldn't appear and already be removed 'TAG': 15/61, 'TGA': 24/61 };

var Physco_codon_weights = { //http://www.kazusa.or.jp/codon/cgi-bin/showcodon.cgi?species=3218&aa=1&style=N 'TTT': 42/58, 'TTC': 1, 'TTA': 9/26, 'TTG': 1, 'TCT': 1, 'TCC': 16/20, 'TCA': 15/20, 'TCG': 17/20, 'TAT': 38/62, 'TAC': 1, 'TGT': 42/58, 'TGC': 1, 'TGG': 1, 'CTT': 18/26, 'CTC': 15/26, 'CTA': 8/26, 'CTG': 24/26, 'CCT': 1, 'CCC': 23/32, 'CCA': 25/32, 'CCG': 20/32, 'CAT': 49/51, 'CAC': 1, 'CAA': 43/57, 'CAG': 1, 'CGT': 14/19, 'CGC': 15/19, 'CGA': 17/19, 'CGG': 17/19, 'ATT': 41/43, 'ATC': 1, 'ATA': 16/43, 'ATG': 1, 'ACT': 1, 'ACC': 23/30, 'ACA': 24/30, 'ACG': 24/30, 'AAT': 47/53, 'AAC': 1, 'AAA': 35/65, 'AAG': 1, 'AGT': 14/20, 'AGC': 18/20, 'AGA': 17/19, 'AGG': 1, 'GTT': 25/43, 'GTC': 18/43, 'GTA': 13/43, 'GTG': 1, 'GCT': 1, 'GCC': 22/31, 'GCA': 25/31, 'GCG': 22/31, 'GAT': 1, 'GAC': 47/53, 'GAA': 39/61, 'GAG': 1, 'GGT': 25/30, 'GGC': 24/30, 'GGA': 1, 'GGG': 21/30, 'TAA': 27/37, //STOP CODONS, shouldn't appear and already be removed 'TAG': 1, 'TGA': 36/37 };

var list_of_features = { "TG":"RFC25 scar (shown in bold)", "RRRRR":"Arg5-tag", "AWRHPQFGG":"Strep-tag I", "WSHPQFEK":"Strep-tag II", "DYKDHDGDYKDHDIDYKDDDDK":"3xFlag-tag", "DYKDDDDK":"Flag-tag", "YPYDVPDYA":"HA-tag", "HHHHHH":"His6-tag", "HHHHH":"His5-tag", "EQKLISEEDL":"c-Myc-tag", "KETAAAKFERQHMDS":"S-tag", "KDHLIHNVHKEFHAHAHNK":"HAT-tag", "KRRWKKNFIAVSAANRFKKISSSGAL":"Calmodulin-binding-peptide", "TDKDMTITFTNKKDAE":"Isopep-tag", "AHIVMVDAYKPTK":"Spy-tag", "TNPGVSAWQVNTAYTAGQLVTYNGKTYKCLQPHTSLAGWEPSNVPALWQLQ":"Chitin-binding domain", "MDEKTTGWRGGHVVEGLAGELEQLRARLEHHPQGQREP":"SBP-tag", "GLNDIFEAQKIEWHE":"Avitag", "DDDDK":"Enterokinase cleavage site", "IDGR":"Factor Xa cleavage site", "IEGR":"Factor Xa cleavage site", "LVPRGS":"Thrombin cleavage site", "LEVLFQGP":"PreScission cleavage site", "ENLYFQG":"TEV cleavage site", "ENLYFQS":"TEV cleavage site", "ETVRFQGS":"TVMV cleavage site", "PKKKRKV":"SV40 nuclear localization sequence" //Note: to extend this list also need to extend search_regexp below!!! };

/**

*  FUNCTIONS
*/

//The function called initially. This handles interaction with the registry server to obtain the sequence function get_sequence(){ try{ // Show loading graphic var loading = $('<div id="autoannotator-computing" />'); $(loading).html('<img src="" />
The AutoAnnotator is computing ...'); $('#htmlTable div').remove(); $('#htmlTable').append(loading);

//---put together the url from which to get the sequence var entered_bb_number = document.getElementById("EnteredBioBrick").value; var numeric_start = entered_bb_number.search(/[0-9]/); if (numeric_start == 0){ alert("Not a valid BioBrick name nor a nucleotide sequence. The BioBrick name must contain one letter followed by digits"); return; } if (numeric_start == -1){ //so entered a sequence //interpret the entered bb number as sequence bb_number = ""; //GLOBAL VARIABLE main_table_calc(entered_bb_number); } else{ //entered a BioBrick number, so try to get the sequence from the Registry bb_number = entered_bb_number.substr(numeric_start - 1); //GLOBAL VARIABLE bb_number = bb_number.toUpperCase(); var bb_url = "http://parts.igem.org/das/parts/dna/?segment=BBa_" + bb_number;

try{ jQuery.ajax({ url: bb_url, type: 'GET', success: function(res) { try{ var a = res.responseText; var b=a.indexOf("<body>");

var c=a.indexOf("

",b); var d=a.indexOf("

",c);

var obtained_sequence = a.substr(c+3,d-c-3); } catch(err){ var txt = "Couldn't get the sequence from the registry. The BioBrick does not exist in the data base."; txt = txt + "\n"; txt = txt + "\nPlease restart and enter the nucleotide sequence manually instead of the BioBrick number!"; alert(txt); return; //to end program

}

//---call the main function with the sequence information--- if (obtained_sequence == ""){ prompt("The sequence obtained from the registry data base is empty, it might not have been updated yet!\nPlease restart and enter the sequence manually instead of the BioBrick number!\n\nYou can get the sequence from this link:","http://parts.igem.org/wiki/index.php?title=Part:BBa_" + bb_number); return; //to end the program //sequence = prompt(prompttxt,""); //if couldn't get the sequence in this way, ask user to enter it manually } main_table_calc(obtained_sequence); } //end of the function called on success }); } catch(error){ alert(error); } } } catch(err){ txt="There was an error on this page in get_sequence().\n\n"; txt=txt + "Error description: \n" + err + "\n\n"; txt=txt + "Click OK to continue. \n\n"; alert(txt); }; }

//the main function, which calls the necessary functions to compute the table entries and puts the table together function main_table_calc(sequence) { try{ entered_nuc_sequence = clean_sequence(sequence); //GLOBAL VARIABLE reading_frame = find_reading_frame(entered_nuc_sequence); //GLOBAL VARIABLE reading_frame_start = reading_frame[0]; //the A in the ATG start codon //GLOBAL VARIABLE reading_frame_end = reading_frame[1]; //last nucleotide to be translated //GLOBAL VARIABLE //recall internal indexing starts at 0, external indexing at 1

entered_nuc_length = entered_nuc_sequence.length; //GLOBAL VARIABLE if (reading_frame_start == -9 && (reading_frame_end > entered_nuc_length - 1) ){ //so RFC 25 coding_nuc_sequence = "ATGGCCGGC" + entered_nuc_sequence + "ACCGGT"; //add prefix and suffix //GLOBAL VARIABLE RFC_standard = "RFC 25, so ATGGCCGGC and ACCGGT were added (in italics) to the 5' and 3' ends: (underlined part encodes the protein)"; //GLOBAL VARIABLE nuc_sequence_to_display_html = " " + "ATGGCCGGC" + entered_nuc_sequence.substr(0,9) + " ... " + entered_nuc_sequence.substr(entered_nuc_length-9) +"ACCGGT" ; //GLOBAL VARIABLE } else if ( reading_frame_end == entered_nuc_length + 5 ){ //stop codon in RFC 25 suffix coding_nuc_sequence = entered_nuc_sequence.substr(reading_frame_start) + "ACCGGT"; //GLOBAL VARIABLE RFC_standard = "RFC 25 N-Part using the stop codon in the suffix, so ACCGGT was added (in italics) to the 3' end: (underlined part encodes the protein)"; //GLOBAL VARIABLE nuc_sequence_to_display_html = " " + entered_nuc_sequence.substr(0,reading_frame_start) + "" + entered_nuc_sequence.substr(reading_frame_start,9) + " ... " + entered_nuc_sequence.substr(entered_nuc_length-9) +"ACCGGT" ; //GLOBAL VARIABLE } else if ( reading_frame_end == entered_nuc_length + 2 ){ //stop codon in RFC 10 suffix coding_nuc_sequence = entered_nuc_sequence.substr(reading_frame_start) + "TAC"; //GLOBAL VARIABLE RFC_standard = "RFC 10 using the stop codon in the suffix, so TAC was added (in italics) to the 3' end: (underlined part encodes the protein)"; //GLOBAL VARIABLE nuc_sequence_to_display_html = " " + entered_nuc_sequence.substr(0,reading_frame_start) + "" + entered_nuc_sequence.substr(reading_frame_start,9) + " ... " + entered_nuc_sequence.substr(entered_nuc_length-9) +"TAC" ; //GLOBAL VARIABLE } else { coding_nuc_sequence = entered_nuc_sequence.substr( reading_frame_start , reading_frame_end - reading_frame_start + 1); //GLOBAL VARIABLE RFC_standard = "RFC 10: (underlined part encodes the protein)"; //GLOBAL VARIABLE nuc_sequence_to_display_html = " " + entered_nuc_sequence.substr(0,reading_frame_start) + "" + entered_nuc_sequence.substr(reading_frame_start,9) + " ... " + entered_nuc_sequence.substr(reading_frame_end-8,9) +"" + entered_nuc_sequence.substr(reading_frame_end+1); //GLOBAL VARIABLE }

var trans_result = translate_to_aa_and_codon_count(coding_nuc_sequence); amino_sequence = trans_result[0]; //GLOBAL VARIABLE codon_count = trans_result[1]; //GLOBAL VARIABLE

md5sum = hex_md5(amino_sequence); //GLOBAL VARIABLE

/* //for test purposes, contains all sequence features (except RFC 25 scar) (as of 25/08/13) amino_sequence = "RRRRRGGAWRHPQFGGWSHPQFEKDYKDHDGDYKDHDIDYKDDDDKDYKDDDDKYPYDVPDYAHHHHHHEQKLISEEDLHHHHHKETAAAKFERQHMDSKDHLIHNVHKEFHAHAHNKKRRWKKNFIAVSAANRFKKISSSGAL" + "TDKDMTITFTNKKDAEAHIVMVDAYKPTKTNPGVSAWQVNTAYTAGQLVTYNGKTYKCLQPHTSLAGWEPSNVPALWQLQMDEKTTGWRGGHVVEGLAGELEQLRARLEHHPQGQREPGLNDIFEAQKIEWHEDDDDK" + "IDGRIEGRLVPRGSLEVLFQGPENLYFQGETVRFQGS";

/

SequenceCollection = {}; //GLOBAL VARIABLE SequenceFeatures = find_sequence_features(coding_nuc_sequence,amino_sequence); //GLOBAL VARIABLE FeatureStarts = []; //GLOBAL VARIABLE FeatureEnds = []; //GLOBAL VARIABLE for (f in SequenceFeatures){ //f is in the start of the feature in the amino acid sequence starting from 1 var feat_start_num = parseInt(f); var feat_seq = SequenceFeatures[f]; // the aa sequence of the feature var feat_length = feat_seq.length; var feat_end_num = feat_start_num + feat_length - 1; //the last aa of the feature (starting from 1)

// Check for unwanted overlap information if ((feat_seq == "HHHHH") && (amino_sequence.substr(feat_start_num - 2, 6) == "HHHHHH")){ continue; //so is a His5-Tag and we already have the His6-Tag, so we skip it } if ((feat_seq == "HHHHHH") && (amino_sequence.substr(feat_start_num - 2, 6) == "HHHHHH")){ continue; //so is a His6-Tag overlapping with a previous His6-Tag, so we skip it } if ((feat_seq == "RRRRR") && (amino_sequence.substr(feat_start_num - 2, 5) == "RRRRR")){ continue; //so is a Arg5-Tag overlapping with a previous Arg5-Tag, so we skip it } if ((feat_seq == "DYKDDDDK") && (amino_sequence.substr(feat_start_num - 15, 22) == "DYKDHDGDYKDHDIDYKDDDDK")){ continue; //so is a Flag-Tag in a 3xFlag-Tag, so we skip it }

FeatureStarts.push(feat_start_num); //all the feature starts and features ends in amino acid sequence starting from 1 FeatureEnds.push(feat_end_num); //are collected in these arrays

if (SequenceCollection[list_of_features[SequenceFeatures[f]]]){ //so there already is something in the list SequenceCollection[list_of_features[SequenceFeatures[f]]].push(feat_start_num); SequenceCollection[list_of_features[SequenceFeatures[f]]].push(feat_end_num); } else{ SequenceCollection[list_of_features[SequenceFeatures[f]]] = [feat_start_num,feat_end_num] ; } }

var counting_result = count_amino_acids(amino_sequence); amino_content = counting_result[0]; //GLOBAL VARIABLE amino_freq = counting_result[1]; //GLOBAL VARIABLE total_aminos = amino_sequence.length; //GLOBAL VARIABLE

//GLOBAL VARIABLE codon_usage = analyze_codons(codon_count,amino_content); // 0 -> E_coli, 1 -> Yeast, 2 -> Mammalian, 3 -> Subtilis, 4 -> Arabidopsis, 5 -> Physco

var composition_results = compute_molecular_weight_and_atomic_composition(amino_content); molecular_weight = composition_results[0]; //GLOBAL VARIABLE atomic_composition = composition_results[1]; //GLOBAL VARIABLE

pI = compute_pI(amino_sequence,amino_content); //GLOBAL VARIABLE extinction_coeffs = compute_extinction_coeff(amino_content); //GLOBAL VARIABLE

hydrophobicity_charge_plot = compute_hydrophobicity_charge_plot(amino_sequence); //GLOBAL VARIABLE // array of arrays, in outer array 0 -> average hydrophobicity over window_size (5 for now) // in outer array 1 -> average charge over window_size (5 for now) // inner array is indexed by start of the different windows

call_rost_server();

} catch(err){ txt="There was an error while computing the parameters.\n\n"; if ((err.toString()).substr(0,16) == "An error occured"){ txt = txt + "This error originated at a lower level: \n\n" + err.toString(); } else{ txt=txt + "The originating error is: \n" + err + "\n\n"; } alert(txt); return; //to end execution } };

function call_rost_server(){ try{ //md5sum = "c4aa8c65029392e1968c2d1ff028f98b"; //for test purposes //sequ = "MALEKSLVRLLLLVLILLVLGWVQPSLGKESRAKKFQRQHMDSDSSPSSSSTYCNQMMRRRNMTQGRCKPVNTFVHEPLVDVQNVCFQEKVTCKNGQGNCYKSNSSMHITDCRLTNGSRYPNCAYRTSPKERHIIVACEGSPYVPVHFDASVEDST"; //md5sum = "6c76ac1239fccf8ab203891b01d8bee5"; //sequ = "MVSLLCCGPKLAACGIVISVWGVIMLILLGVFFNVHSAVLIEDVPFTEEDIFEDPNPPAKMYRLYEQVSYNCFIAAAIYIVLGGFSFCQVRLNKRKEYMVR"; //total_aminos = sequ.length; //for test purposes //compile addresses of the different queries url_localization = "http://www.rostlab.org/%7Eroos/get/lc2/?md5=" + md5sum; //Examples of md5sums in the database url_gene_ontology = "http://www.rostlab.org/%7Eroos/get/metastudent/?md5=" + md5sum; //c75924eebc204d66f8069fcfc3bf3514 url_alignments = "http://www.rostlab.org/%7Eroos/get/blastPsiRdb/?md5=" + md5sum; //7092948cd4a8ecb626e2612731a24912 url_disulfidbridge = "http://www.rostlab.org/%7Eroos/get/disulfinder/?md5=" + md5sum; url_transmembrane = "http://www.rostlab.org/%7Eroos/get/phdRdb/?md5=" + md5sum; url_sec_and_acc = "http://www.rostlab.org/%7Eroos/get/profRdb/?md5=" + md5sum; //SECondary structure and solvent ACCessibility

$.when($.ajax( { url: url_localization, type: 'GET' } ), $.ajax( { url: url_gene_ontology, type: 'GET' } ), $.ajax( { url: url_alignments, type: 'GET' } ), $.ajax( { url: url_disulfidbridge, type: 'GET' } ), $.ajax( { url: url_transmembrane, type: 'GET' } ), $.ajax( { url: url_sec_and_acc, type: 'GET' } ) ).then( //in the case of success parse_results

,

//second in case of failure function(){ try{ alert("Couldn't connect to database, direct computations only");

loc_results = "no_data"; //GLOBAL VARIABLE go_results = "no_data"; //GLOBAL VARIABLE ali_results = "no_data"; //GLOBAL VARIABLE dis_results = "no_data"; //GLOBAL VARIABLE trans_results = "no_data"; //GLOBAL VARIABLE sec_results = "no_data"; //GLOBAL VARIABLE

compile_output(); //declare elements without content OR put up a flag, which skips relevant parts of compile_output(); } catch(err){ // ADD ERROR HANDLING, compile_output() WON'T THROW ANY ERRORS return; } } ); } catch(err){ txt="There was an error while calling the database.\n\n"; if ((err.toString()).substr(0,16) == "An error occured"){ txt = txt + "This error originated at a lower level: \n\n" + err.toString(); } else{ txt=txt + "The originating error is: \n" + err + "\n\n"; } alert(txt); return; //to end execution } }

function parse_results( localization , gene_ontology , alignments , disulfidbridge , transmembrane , sec_and_acc ){ try{ /* The arguments (in the listed sequence) are arguments resolved for the first, second,... ajax requests, respectively. Each argument is an array with the following structure: [ data, statusText, jqXHR ] */ var localization_readout = localization[0]; var gene_ontology_readout = gene_ontology[0]; var alignments_readout = alignments[0]; var disulfidbridge_readout = disulfidbridge[0]; var transmembrane_readout = transmembrane[0]; var sec_and_acc_readout = sec_and_acc[0];

// 1. parse the localization results var loc_readout = (localization_readout.results).toString(); loc_readout = loc_readout.replace(/\s/g,""); loc_results = []; //GLOBAL VARIABLE

"); dis_results = []; //GLOBAL VARIABLE if (dis_validation > -1){ var dis_search_regexp = /"#DB_bond">DB_bond</g ; while ((match = dis_search_regexp.exec(dis_readout)) != null) { var komma_pos = dis_readout.indexOf(",",match.index+27); var bracket_close_pos = dis_readout.indexOf(")",komma_pos); //alert(dis_readout.substring(match.index+27,komma_pos)); //alert(dis_readout.substring(komma_pos+1,bracket_close_pos)); dis_results.push([dis_readout.substring(match.index+27,komma_pos),dis_readout.substring(komma_pos+1,bracket_close_pos)]); } } else{ //so no results in the database for this sequence //maybe do something to calculate them dis_results = "no_data"; } //end of disulfid bridge prediction // 5. parse transmembrane results var trans_readout = (transmembrane_readout.results).toString(); trans_readout = trans_readout.replace(/\s{2,}/g,""); //remove excessive white space trans_results = []; //GLOBAL VARIABLE /* var NHTM_index = trans_readout.indexOf("# NHTM_BEST : "); var NHTM_end = trans_readout.indexOf(" (",NHTM_index); predicted_number_of_transmembrane_helices = trans_readout.substring(NHTM_index+14,NHTM_end); //GLOBAL VARIABLE */ var reliability_index = trans_readout.indexOf("# REL_BEST : "); if (reliability_index > -1){ var reliability_end = trans_readout.indexOf(" (",reliability_index); reliability_of_tm_prediction = trans_readout.substring(reliability_index+13,reliability_end); //GLOBAL VARIABLE var prhl = []; var pito = []; var b = trans_readout.indexOf("1S 1S 1S ",reliability_end); var a = b + 8; for ( j=0 ; j<total_aminos ; j++ ){ var a1 = trans_readout.indexOf(" ",a +1); //first space (between AA_number and AA) var a2 = trans_readout.indexOf(" ",a1+1); //... var a3 = trans_readout.indexOf(" ",a2+1); var a4 = trans_readout.indexOf(" ",a3+1); var a5 = trans_readout.indexOf(" ",a4+1); var a6 = trans_readout.indexOf(" ",a5+1); var a7 = trans_readout.indexOf(" ",a6+1); var a8 = trans_readout.indexOf(" ",a7+1); var a9 = trans_readout.indexOf(" ",a8+1); var a0 = trans_readout.indexOf(" ",a9+1); //tenth space var a = trans_readout.indexOf(" ",a0+1); //space between the lines of the table, i.e. seperates the AAs prhl.push(trans_readout.substr(a8+1,1)); pito.push(trans_readout.substr(a0+1,1)); } var counter = 0; var curr_pos = prhl[0]; var curr_conf = pito[0]; // i for inside, o for outside, T for transmembrane if (curr_pos=="H"){ var helix_start = 0; } while ( counter < total_aminos ){ if (curr_pos == "L"){ var helix_start = jQuery.inArray("H",prhl,counter+1); curr_pos = "H"; counter = helix_start; } else if (curr_pos == "H"){ var after_helix_end = jQuery.inArray("L",prhl,counter+1); if (after_helix_end == -1){ var helix_end = total_aminos; //so transmembrane till end } else{ var helix_end = after_helix_end - 1; } curr_pos = "L"; counter = after_helix_end; if (curr_conf == "i"){ var conf_description = "outwards"; var curr_conf = "o"; } else if (curr_conf == "o"){ var conf_description = "inwards"; var curr_conf = "i"; } else{ var end_conf = pito[counter]; if (end_conf == "o"){ var conf_description = "outwards"; } else if (end_conf == "i"){ var conf_description = "inwards"; } else{ var conf_description = "unknown"; } } trans_results.push([helix_start+1,helix_end+1,conf_description]); //back to external counting } else{ //DO SOMETHING FOR THIS CASE alert("bad data in database"); break; } if (counter == -1){ counter = total_aminos; //so terminate the while loop } } } else{ //so no results in the database for this sequence //maybe do something to calculate them trans_results = "no_data"; } //end of transmembrane prediction // 6. parse the secondary structure prediction var sec_readout = (sec_and_acc_readout.results).toString(); sec_readout = sec_readout.replace(/\s{2,}/g,""); var sec_validation = sec_readout.indexOf("Perl-RDB"); sec_results = []; //GLOBAL VARIABLE if (sec_validation > -1){ //so there's data var table_start = sec_readout.indexOf("Ot8 Ot9"); sec_readout = sec_readout.substr(table_start + 8); var sec = []; var acc = []; var sec_array = sec_readout.split(" "); for ( j=0 ; j<total_aminos ; j++ ){ sec.push(sec_array[j*30 + 3]); acc.push(sec_array[j*30 + 16]); } //SECondary structure output generation var sec_counter = 0; var sec_output = []; while ( sec_counter < total_aminos ){ var sec_start = sec[sec_counter]; if (sec_start == "E"){ var feat = "E"; var feat_start = sec_counter; } else if (sec_start == "H"){ var feat = "H"; var feat_start = sec_counter; } else{ var feat = "L"; } if (feat == "E"){ var aL = jQuery.inArray("L",sec,sec_counter); var aH = jQuery.inArray("H",sec,sec_counter); if (aL == -1){ aL = total_aminos; } if (aH == -1){ aH = total_aminos; } var feat_end = Math.min(aL-1,aH-1); sec_counter = feat_end + 1; sec_output.push(["E",feat_start+1,feat_end+1]); } else if (feat == "H"){ var aL = jQuery.inArray("L",sec,sec_counter); var aE = jQuery.inArray("E",sec,sec_counter); if (aL == -1){ aL = total_aminos; } if (aE == -1){ aE = total_aminos; } var feat_end = Math.min(aL-1,aE-1); sec_counter = feat_end + 1; sec_output.push(["H",feat_start+1,feat_end+1]); } else{ //so feat should be L, i.e. loop, which we don't care about var aE = jQuery.inArray("E",sec,sec_counter); var aH = jQuery.inArray("H",sec,sec_counter); if (aE == -1){ aE = total_aminos; } if (aH == -1){ aH = total_aminos; } var feat_end = Math.min(aE-1,aH-1); sec_counter = feat_end + 1; //do not care about this in the output } } //solvent ACCessability output generation var acc_counter = 0; var acc_output = []; while ( acc_counter < total_aminos ){ var acc_start = acc[acc_counter]; if (acc_start == "b"){ //b for buried var feat = "b"; var feat_start = acc_counter; } else if (acc_start == "e"){ //e for exposed var feat = "e"; var feat_start = acc_counter; } else{ var feat = "i"; //i for intermediate } if (feat == "b"){ var ai = jQuery.inArray("i",acc,acc_counter); var ae = jQuery.inArray("e",acc,acc_counter); if (ai == -1){ ai = total_aminos; } if (ae == -1){ ae = total_aminos; } var feat_end = Math.min(ae-1,ai-1); acc_counter = feat_end + 1; acc_output.push(["b",feat_start+1,feat_end+1]); } else if (feat == "e"){ var ai = jQuery.inArray("i",acc,acc_counter); var ab = jQuery.inArray("b",acc,acc_counter); if (ai == -1){ ai = total_aminos; } if (ab == -1){ ab = total_aminos; } var feat_end = Math.min(ab-1,ai-1); acc_counter = feat_end + 1; acc_output.push(["e",feat_start+1,feat_end+1]); } else{ //so feat should be i, i.e. intermediate, which we don't care about var ab = jQuery.inArray("b",acc,acc_counter); var ae = jQuery.inArray("e",acc,acc_counter); if (ab == -1){ ab = total_aminos; } if (ae == -1){ ae = total_aminos; } var feat_end = Math.min(ab-1,ae-1); acc_counter = feat_end + 1; //do not care about this in the output } } sec_results = [sec_output,acc_output]; } else{ //so no results in the database for this sequence //maybe do something to calculate them sec_results = "no_data"; } //end of SECondary structure and solvent ACCessability prediction compile_output(); } catch(err){ // ADD ERROR HANDLING, compile_output() WON'T THROW ANY ERRORS return; } } function compile_output(){ try{ creation_time = new Date(); //time stamp //GLOBAL VARIABLE var SequenceFeatureTable = "

"; var number_of_features = 0; for (feature in SequenceCollection){ if ( SequenceCollection.hasOwnProperty(feature) ){ number_of_features ++; } SequenceFeatureTable = SequenceFeatureTable + ""; } if (number_of_features == 0){ //so no features, so write something, so it doesn't appear empty SequenceFeatureTable = SequenceFeatureTable + "";

}

SequenceFeatureTable = SequenceFeatureTable + "

	" + feature + ":	"; for ( i=0 ; i<(SequenceCollection[feature].length /2) ; i++ ){ SequenceFeatureTable = SequenceFeatureTable + SequenceCollection[feature][(2i)].toString() + " to " + SequenceCollection[feature][(2i) + 1].toString(); if (i+1 < (SequenceCollection[feature].length /2)){ // so not last entry SequenceFeatureTable = SequenceFeatureTable + ", "; } } SequenceFeatureTable = SequenceFeatureTable + "
	None of the supported features appeared in the sequence

";

//now add underline/bold to amino_output var Feature_Markups = FeatureStarts.concat(FeatureEnds);

//sort function needed for the sort below to work properly function sortNumber(a,b) { return a - b; } Feature_Markups.sort(sortNumber); //sort it //determine in which lines there is some markup to be done var Feature_Markups_lines = []; for ( i=0 ; i < Feature_Markups.length ; i++){ Feature_Markups_lines.push(Math.floor((Feature_Markups[i] - 1)/100)); }

// -- Prepare the output for the amino acid sequence -- var output_amino_sequence = amino_sequence + "*"; // first break the aa sequence into lines of 100 AAs var amino_lines = []; for ( i=0 ; i < output_amino_sequence.length /100 ; i++){ amino_lines.push(output_amino_sequence.substr(i*100,100)); } // next add the mark-up to the lines var amino_output_lines = []; if (Feature_Markups.length == 0){ amino_output_lines = amino_lines; //so no markup needed } else{ // so there is markup to be added var current_feature_element = 0; var open_close_index = 0; var open_close_index_bold = 0; for ( var line = 0; line<amino_lines.length ; line++ ){ amino_output_lines[line] = "" ; var last_element_pos = 0; if (open_close_index>0){ // so have open underlines at the end of previous line, so must reopen them for ( j = 0 ; j < open_close_index ; j++){ amino_output_lines[line]=amino_output_lines[line] + ""; } } if (open_close_index_bold>0){ // so have open bolds at the end of previous line, so must reopen them for ( j = 0 ; j < open_close_index_bold ; j++){ amino_output_lines[line]=amino_output_lines[line] + ""; } } while (Feature_Markups_lines[current_feature_element] == line){ //loop over all markups in this line var curr_element_pos = Feature_Markups[current_feature_element]; var curr_element_pos_inline = curr_element_pos - 100*line - 1; if ( jQuery.inArray( curr_element_pos , FeatureStarts ) > -1 ){ if (SequenceFeatures[curr_element_pos] == "TG"){ //so scar, so bold amino_output_lines[line] = amino_output_lines[line] + amino_lines[line].substring(last_element_pos,curr_element_pos_inline) + "<b>"; open_close_index_bold ++; } else{ //so underline amino_output_lines[line] = amino_output_lines[line] + amino_lines[line].substring(last_element_pos,curr_element_pos_inline) + "<u>"; open_close_index ++; } last_element_pos = curr_element_pos_inline; FeatureStarts.shift(); //removes the element which was just marked } else if ( jQuery.inArray( curr_element_pos , FeatureEnds ) > -1 ){ if (SequenceFeatures[curr_element_pos-1] == "TG"){ //so scar, so bold amino_output_lines[line] = amino_output_lines[line] + amino_lines[line].substring(last_element_pos,curr_element_pos_inline+1) + ""; open_close_index_bold = open_close_index_bold - 1; } else{ //so underline amino_output_lines[line] = amino_output_lines[line] + amino_lines[line].substring(last_element_pos,curr_element_pos_inline+1) + ""; open_close_index = open_close_index - 1; } last_element_pos = curr_element_pos_inline+1; FeatureEnds.shift(); //removes the element which was just marked } current_feature_element++; //update so we get next markup } //add the remainder of the line to the output amino_output_lines[line] = amino_output_lines[line] + amino_lines[line].substr(last_element_pos); if (open_close_index>0){ //so have open underlines at the end of this line, so must close them for now for ( j = 0 ; j < open_close_index ; j++){ amino_output_lines[line]=amino_output_lines[line] + "</u>"; } } if (open_close_index_bold>0){ //so have open underlines at the end of this line, so must close them for now for ( j = 0 ; j < open_close_index_bold ; j++){ amino_output_lines[line]=amino_output_lines[line] + "</b>"; } } } } // create amino_output table with the mark up

var amino_output = ""; amino_output = amino_output + "

1 ";

for ( j=1 ; j<amino_lines.length ; j++ ){ amino_output = amino_output + "
" + (j*100 + 1).toString() + " "; }

amino_output = amino_output + "

";

for ( j=0 ; j<amino_lines.length-1 ; j++ ){ amino_output = amino_output + amino_output_lines[j] + "
"; } amino_output = amino_output + amino_output_lines[amino_lines.length - 1];

amino_output = amino_output + "

";

var atomic_composition_output = "C_{" + atomic_composition[0] + "}H_{" + atomic_composition[1] + "}N_{" + atomic_composition[2] + "}O_{" + atomic_composition[3] + "}"; if (atomic_composition[4] != 0){ //so there is S in the aa, so add it atomic_composition_output = atomic_composition_output + "S_{" + atomic_composition[4] + "}"; }

//Interpret the codon_usage // 0 -> E_coli, 1 -> Yeast, 2 -> Mammalian, 3 -> Subtilis, 4 -> Arabidopsis, 5 -> Physco //translate numerical CAI values into categories: 1.00-0.80 -> excellent // 0.79-0.60 -> good // 0.59-0.40 -> acceptable // 0.39-0.20 -> bad // 0.19-0.00 -> very bad for (i=0;i<6;i++){ if (codon_usage[i] >= 0.80){ codon_usage[i] = "excellent (" + codon_usage[i].toFixed(2) + ")"; } else if (codon_usage[i] < 0.8 && codon_usage[i] >= 0.6){ codon_usage[i] = "good (" + codon_usage[i].toFixed(2) + ")"; } else if (codon_usage[i] < 0.6 && codon_usage[i] >= 0.4){ codon_usage[i] = "acceptable (" + codon_usage[i].toFixed(2) + ")"; } else if (codon_usage[i] < 0.4 && codon_usage[i] >= 0.2){ codon_usage[i] = "bad (" + codon_usage[i].toFixed(2) + ")"; } else{ codon_usage[i] = "very bad (" + codon_usage[i].toFixed(2) + ")"; } }

/* * CREATE ALIGNMENTS OUTPUT */ sent_compute_request = 0; //GLOBAL VARIABLE AlignmentTable = ""; //GLOBAL VARIABLE //alingment output // ali_results; [sp, tr, pdb]; sp,tr,pdb=[identifier,identity out of 100,length of alignment] //TrEMBL: http://www.uniprot.org/uniprot/A6NI79 (where A6NI79 is the matched_prot_name) //PDB: http://www.rcsb.org/pdb/explore/explore.do?structureId=1i84 //SwissProt: http://www.uniprot.org/uniprot/A6NI79 (where A6NI79 is the matched_prot_name) if (ali_results !== "no_data"){ ali_results[0].length; var ali_providers = ["SwissProt" , "TrEML" , "PDB"]; var ali_addresses = ["http://www.uniprot.org/uniprot/" , "http://www.uniprot.org/uniprot/" , "http://www.rcsb.org/pdb/explore/explore.do?structureId="];

AlignmentTable = AlignmentTable + ""; for ( j=0 ; j<3 ; j++ ){ AlignmentTable = AlignmentTable + ""; } AlignmentTable = AlignmentTable + "

" + ali_providers[j] + ":

";

if (ali_results[j].length === 0){ AlignmentTable = AlignmentTable + " - "; }

for ( i=0 ; i < (ali_results[j].length) ; i++ ){ AlignmentTable = AlignmentTable + "<a href='" + ali_addresses[j].toString() + ali_results[j][i][0].toString() + "'>" + ali_results[j][i][0].toString() + "</a> (" + ali_results[j][i][1] + "% identity on " + ali_results[j][i][2] + " AAs)"; if ( i < (ali_results[j].length - 1) ){ AlignmentTable = AlignmentTable + ", "; } }

AlignmentTable = AlignmentTable + "

";

} else{ //no results if ((total_aminos > 15) && (sent_compute_request == 0)){ sent_compute_request=1; var compute_url = 'http://rostlab.org/~roos/compute/igem/?seq=' + amino_sequence + '&md5=' + md5sum + '&token=831a563fba956d2ccea4ee6919d72864'; $.ajax( { url: compute_url, type: 'GET', error: function(){alert('Could not initialize the computations, please try again later!\n\nIf the problem persists, please send us an email and we will look into it.');} }); } AlignmentTable = AlignmentTable + "
There were no alignments for this protein in the data base. The BLAST search was initialized and should be ready in a few hours."; }

/* * CREATE PREDICTIONS OUTPUT */ number_of_plots = Math.ceil(amino_sequence.length/200); //GLOBAL VARIABLE

dis_datapoints = []; //GLOBAL VARIABLE trans_datapoints = []; //GLOBAL VARIABLE acc_buried_datapoints = []; //GLOBAL VARIABLE acc_exposed_datapoints = []; //GLOBAL VARIABLE sec_strand_datapoints = []; //GLOBAL VARIABLE sec_helix_datapoints = []; //GLOBAL VARIABLE

PredictionTable = ""; //GLOBAL VARIABLE if (loc_results === "no_data" && go_results === "no_data" && ali_results === "no_data" && dis_results === "no_data" && trans_results === "no_data" && sec_results === "no_data" ){ //so no prediction results at all PredictionTable = PredictionTable + " There were no predictions for this protein in the data base. The prediction was initialized and should be ready in a few hours.";

if (total_aminos > 15){ if(sent_compute_request == 0){ sent_compute_request=1; var compute_url = 'http://rostlab.org/~roos/compute/igem/?seq=' + amino_sequence + '&md5=' + md5sum + '&token=831a563fba956d2ccea4ee6919d72864'; $.ajax( { url: compute_url, type: 'GET', error: function(){alert('Could not initialize the computations, please try again later!\n\nIf the problem persists, please send us an email and we will look into it.');} });

} alert("There were no predictions for this protein in the data base. The prediction was initialized and should be ready in a few hours."); } else{ alert("Your protein is too short, no predictions can be computed"); } } else{

//localization output // loc_results; [loc in archaea,reliability,loc in bacteria,reliabilty,loc in eukariya,reliability] if (loc_results !== "no_data"){ PredictionTable = PredictionTable

+ ""

+ "Subcellular Localization (reliability in brackets)"

+ "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "

	Archaea:	" + loc_results[0] + " (" + loc_results[1] + "%)
	Bacteria:	" + loc_results[2] + " (" + loc_results[3] + "%)
	Eukarya:	" + loc_results[4] + " (" + loc_results[5] + "%)

" + ""; } else{ //no results PredictionTable = PredictionTable + ""

+ "Subcellular Localization (reliability in brackets)"

+ "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "

	Archaea:	-
	Bacteria:	-
	Eukarya:	-

" + ""; } //gene ontology output // go_results; [mfo, bpo]; mfo = [GO-number, reliability] if (go_results !== "no_data"){ var mfo_number = go_results[0].length; var bpo_number = go_results[1].length; if(mfo_number == 0){ var mfo_print_out = " - ";

} else if(mfo_number == 1){

var mfo_print_out = "<a href='http://amigo.geneontology.org/cgi-bin/amigo/term_details?term=" + go_results[0][0][0] + "'>" + go_results[0][0][0] + "</a> (" + (go_results[0][0][1]*100).toFixed(0) + "%)" + "";

} else{

var mfo_print_out = "<a href='http://amigo.geneontology.org/cgi-bin/amigo/term_details?term=" + go_results[0][0][0] + "'>" + go_results[0][0][0] + "</a> (" + (go_results[0][0][1]*100).toFixed(0) + "%), <a href='http://amigo.geneontology.org/cgi-bin/amigo/term_details?term=" + go_results[0][1][0] + "'>" + go_results[0][1][0] + "</a> (" + (go_results[0][1][1]*100).toFixed(0) + "%)" + "";

}

if(bpo_number == 0){

var bpo_print_out = " - ";

} else if(bpo_number == 1){

var bpo_print_out = "<a href='http://amigo.geneontology.org/cgi-bin/amigo/term_details?term=" + go_results[1][0][0] + "'>" + go_results[1][0][0] + "</a> (" + (go_results[1][0][1]*100).toFixed(0) + "%)" + "";

} else{

var bpo_print_out = "<a href='http://amigo.geneontology.org/cgi-bin/amigo/term_details?term=" + go_results[1][0][0] + "'>" + go_results[1][0][0] + "</a> (" + (go_results[1][0][1]*100).toFixed(0) + "%), <a href='http://amigo.geneontology.org/cgi-bin/amigo/term_details?term=" + go_results[1][1][0] + "'>" + go_results[1][1][0] + "</a> (" + (go_results[1][1][1]*100).toFixed(0) + "%)" + "";

}

PredictionTable = PredictionTable

+ "Gene Ontology (reliability in brackets)
" + "" + "" + "" + ""

+ mfo_print_out

+ "" + "" + ""

+ bpo_print_out

+ "" + "" + "" + "

	Molecular Function Ontology:
	Biological Process Ontology:

" + ""; } else{ //no results PredictionTable = PredictionTable + "Gene Ontology (reliability in brackets)
" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "

	Molecular Function Ontology:	-
	Biological Process Ontology:	-

" + "</tr>"; } //disulfidbridge and transmembrane output // dis_results; [start,end] // trans_results; [start,end,configuration] // reliability_of_tm_prediction; // (out of 100) var dis_list = ""; if (dis_results !== "no_data"){ if (dis_results.length === 0){ dis_list = dis_list + " - "; } else{ for ( j=0 ; j<dis_results.length ; j++){ dis_list = dis_list + dis_results[j][0].toString() + " to " + dis_results[j][1].toString(); if ( j < (dis_results.length - 1) ){ dis_list = dis_list + ", "; } } } } else{ //no results if ((total_aminos > 15) && (sent_compute_request == 0)){ sent_compute_request=1; var compute_url = 'http://rostlab.org/~roos/compute/igem/?seq=' + amino_sequence + '&md5=' + md5sum + '&token=831a563fba956d2ccea4ee6919d72864'; $.ajax( { url: compute_url, type: 'GET', error: function(){alert('Could not initialize the computations, please try again later!\n\nIf the problem persists, please send us an email and we will look into it.');} }); } dis_list = dis_list + " - "; } PredictionTable = PredictionTable + "" + "Predicted features:" + "" + "" + "" + "

Disulfid bridges:

" + dis_list + "

Transmembrane helices";

if (trans_results !== "no_data"){

//PredictionTable = PredictionTable + " (reliability: " + ((reliability_of_tm_prediction*100).toFixed(0)).toString() + "%):

"; PredictionTable = PredictionTable + ":

";

if (trans_results.length === 0){ PredictionTable = PredictionTable + " - "; } else{ for ( j=0 ; j<trans_results.length ; j++){ if (trans_results[j][2] !== "unknown"){ PredictionTable = PredictionTable + (trans_results[j][0]).toString() + " to " + (trans_results[j][1]).toString() + " going " + (trans_results[j][2]); } else{ PredictionTable = PredictionTable + (trans_results[j][0]).toString() + " to " + (trans_results[j][1]).toString(); }

if ( j < (trans_results.length - 1) ){ PredictionTable = PredictionTable + ", "; } } } } else{ //no results if ((total_aminos > 15) && (sent_compute_request == 0)){ sent_compute_request=1; var compute_url = 'http://rostlab.org/~roos/compute/igem/?seq=' + amino_sequence + '&md5=' + md5sum + '&token=831a563fba956d2ccea4ee6919d72864'; $.ajax( { url: compute_url, type: 'GET', error: function(){alert('Could not initialize the computations, please try again later!\n\nIf the problem persists, please send us an email and we will look into it.');} }); }

PredictionTable = PredictionTable + ":

- ";

}

PredictionTable = PredictionTable + "

";

//Prepare Predictions for the plot //SECondary structure and solvent ACCessability results // sec_results; [sec_output,acc_output]; sec_output = [type,start,end], acc_output = [type,start,end] if (sec_results !== "no_data"){ var sec_output = sec_results[0]; var acc_output = sec_results[1];

sec_helix_results = []; //GLOBAL VARIABLE sec_strand_results = []; //GLOBAL VARIABLE acc_exposed_results = []; //GLOBAL VARIABLE acc_buried_results = []; //GLOBAL VARIABLE

for ( k = 0 ; k < sec_output.length ; k++ ){ if (sec_output[k][0] === "H"){ sec_helix_results.push([sec_output[k][1],sec_output[k][2]]); } else if (sec_output[k][0] === "E"){ sec_strand_results.push([sec_output[k][1],sec_output[k][2]]); } //otherwise something went wrong, so ignore it } for ( k = 0 ; k < acc_output.length ; k++ ){ if (acc_output[k][0] === "e"){ acc_exposed_results.push([acc_output[k][1],acc_output[k][2]]); } else if (acc_output[k][0] === "b"){ acc_buried_results.push([acc_output[k][1],acc_output[k][2]]); } //otherwise something went wrong, so ignore it } } else{ if ((total_aminos > 15) && (sent_compute_request == 0)){ sent_compute_request=1; var compute_url = 'http://rostlab.org/~roos/compute/igem/?seq=' + amino_sequence + '&md5=' + md5sum + '&token=831a563fba956d2ccea4ee6919d72864'; $.ajax( { url: compute_url, type: 'GET', error: function(){alert('Could not initialize the computations, please try again later!\n\nIf the problem persists, please send us an email and we will look into it.');} }); } sec_helix_results = "no_data"; //GLOBAL VARIABLE sec_strand_results = "no_data"; //GLOBAL VARIABLE acc_exposed_results = "no_data"; //GLOBAL VARIABLE acc_buried_results = "no_data"; //GLOBAL VARIABLE }

//secondary structure helix results var sec_helix_datapoints_text = "["; if (sec_helix_results !=="no_data"){ for ( j=0 ; j < sec_helix_results.length ; j++ ){ var start_plot = Math.floor((sec_helix_results[j][0]-1)/200); var stop_plot = Math.floor((sec_helix_results[j][1]-1)/200); if (start_plot == stop_plot){ sec_helix_datapoints.push([sec_helix_results[j][0],sec_helix_results[j][1]]); sec_helix_datapoints_text = sec_helix_datapoints_text + "[" + sec_helix_results[j][0] + "," + sec_helix_results[j][1] + "]"; } else{ var involved_plots = stop_plot - start_plot; sec_helix_datapoints.push([sec_helix_results[j][0],(start_plot + 1)*200]); //go to the end of the line sec_helix_datapoints_text = sec_helix_datapoints_text + "[" + sec_helix_results[j][0] + "," + ((start_plot + 1)*200).toString() + "],"; for ( i=0 ; i < (involved_plots-1) ; i++ ){ // the plots inbetween which are covered from start to end sec_helix_datapoints.push([(start_plot + i + 1)*200 + 1, (start_plot + i + 2)*200]); sec_helix_datapoints_text = sec_helix_datapoints_text + "[" + ((start_plot + i + 1)*200 + 1).toString() + "," + ((start_plot + i + 2)*200).toString() + "],"; } sec_helix_datapoints.push([stop_plot*200 + 1,sec_helix_results[j][1]]); //then from start of next plot to the end of the feature sec_helix_datapoints_text = sec_helix_datapoints_text + "[" + (stop_plot*200 + 1).toString() + "," + sec_helix_results[j][1] + "]"; } if ( j < (sec_helix_results.length - 1)){ sec_helix_datapoints_text = sec_helix_datapoints_text + ","; //add a comma after the entry, unless it's the last entry } } } sec_helix_datapoints_text = sec_helix_datapoints_text + "]";

//secondary structure beta-strand results var sec_strand_datapoints_text = "["; if (sec_strand_results !=="no_data"){ for ( j=0 ; j < sec_strand_results.length ; j++ ){ var start_plot = Math.floor((sec_strand_results[j][0]-1)/200); var stop_plot = Math.floor((sec_strand_results[j][1]-1)/200); if (start_plot == stop_plot){ sec_strand_datapoints.push([sec_strand_results[j][0],sec_strand_results[j][1]]); sec_strand_datapoints_text = sec_strand_datapoints_text + "[" + sec_strand_results[j][0] + "," + sec_strand_results[j][1] + "]"; } else{ var involved_plots = stop_plot - start_plot; sec_strand_datapoints.push([sec_strand_results[j][0],(start_plot + 1)*200]); //go to the end of the line sec_strand_datapoints_text = sec_strand_datapoints_text + "[" + sec_strand_results[j][0] + "," + ((start_plot + 1)*200).toString() + "],"; for ( i=0 ; i < (involved_plots-1) ; i++ ){ // the plots inbetween which are covered from start to end sec_strand_datapoints.push([(start_plot + i + 1)*200 + 1, (start_plot + i + 2)*200]); sec_strand_datapoints_text = sec_strand_datapoints_text + "[" + ((start_plot + i + 1)*200 + 1).toString() + "," + ((start_plot + i + 2)*200).toString() + "],"; } sec_strand_datapoints.push([stop_plot*200 + 1,sec_strand_results[j][1]]); //then from start of next plot to the end of the feature sec_strand_datapoints_text = sec_strand_datapoints_text + "[" + (stop_plot*200 + 1).toString() + "," + sec_strand_results[j][1] + "]"; } if ( j < (sec_strand_results.length - 1)){ sec_strand_datapoints_text = sec_strand_datapoints_text + ","; //add a comma after the entry, unless it's the last entry } } } sec_strand_datapoints_text = sec_strand_datapoints_text + "]";

//exposed residues var acc_exposed_datapoints_text = "["; if (acc_exposed_results !=="no_data"){ for ( j=0 ; j < acc_exposed_results.length ; j++ ){ var start_plot = Math.floor((acc_exposed_results[j][0]-1)/200); var stop_plot = Math.floor((acc_exposed_results[j][1]-1)/200); if (start_plot == stop_plot){ acc_exposed_datapoints.push([acc_exposed_results[j][0],acc_exposed_results[j][1]]); acc_exposed_datapoints_text = acc_exposed_datapoints_text + "[" + acc_exposed_results[j][0] + "," + acc_exposed_results[j][1] + "]"; } else{ var involved_plots = stop_plot - start_plot; acc_exposed_datapoints.push([acc_exposed_results[j][0],(start_plot + 1)*200]); //go to the end of the line acc_exposed_datapoints_text = acc_exposed_datapoints_text + "[" + acc_exposed_results[j][0] + "," + ((start_plot + 1)*200).toString() + "],"; for ( i=0 ; i < (involved_plots-1) ; i++ ){ // the plots inbetween which are covered from start to end acc_exposed_datapoints.push([(start_plot + i + 1)*200 + 1, (start_plot + i + 2)*200]); acc_exposed_datapoints_text = acc_exposed_datapoints_text + "[" + ((start_plot + i + 1)*200 + 1).toString() + "," + ((start_plot + i + 2)*200).toString() + "],"; } acc_exposed_datapoints.push([stop_plot*200 + 1,acc_exposed_results[j][1]]); //then from start of next plot to the end of the feature acc_exposed_datapoints_text = acc_exposed_datapoints_text + "[" + (stop_plot*200 + 1).toString() + "," + acc_exposed_results[j][1] + "]"; } if ( j < (acc_exposed_results.length - 1)){ acc_exposed_datapoints_text = acc_exposed_datapoints_text + ","; //add a comma after the entry, unless it's the last entry } } } acc_exposed_datapoints_text = acc_exposed_datapoints_text + "]";

//buried residues var acc_buried_datapoints_text = "["; if (acc_buried_results !=="no_data"){ for ( j=0 ; j < acc_buried_results.length ; j++ ){ var start_plot = Math.floor((acc_buried_results[j][0]-1)/200); var stop_plot = Math.floor((acc_buried_results[j][1]-1)/200); if (start_plot == stop_plot){ acc_buried_datapoints.push([acc_buried_results[j][0],acc_buried_results[j][1]]); acc_buried_datapoints_text = acc_buried_datapoints_text + "[" + acc_buried_results[j][0] + "," + acc_buried_results[j][1] + "]"; } else{ var involved_plots = stop_plot - start_plot; acc_buried_datapoints.push([acc_buried_results[j][0],(start_plot + 1)*200]); //go to the end of the line acc_buried_datapoints_text = acc_buried_datapoints_text + "[" + acc_buried_results[j][0] + "," + ((start_plot + 1)*200).toString() + "],"; for ( i=0 ; i < (involved_plots-1) ; i++ ){ // the plots inbetween which are covered from start to end acc_buried_datapoints.push([(start_plot + i + 1)*200 + 1, (start_plot + i + 2)*200]); acc_buried_datapoints_text = acc_buried_datapoints_text + "[" + ((start_plot + i + 1)*200 + 1).toString() + "," + ((start_plot + i + 2)*200).toString() + "],"; } acc_buried_datapoints.push([stop_plot*200 + 1,acc_buried_results[j][1]]); //then from start of next plot to the end of the feature acc_buried_datapoints_text = acc_buried_datapoints_text + "[" + (stop_plot*200 + 1).toString() + "," + acc_buried_results[j][1] + "]"; } if ( j < (acc_buried_results.length - 1)){ acc_buried_datapoints_text = acc_buried_datapoints_text + ","; //add a comma after the entry, unless it's the last entry } } } acc_buried_datapoints_text = acc_buried_datapoints_text + "]";

// dis_results; [start,end] var dis_datapoints_text = "["; if (dis_results !=="no_data"){ for ( j=0 ; j < dis_results.length ; j++ ){ dis_datapoints.push([dis_results[j][0],dis_results[j][1]]); dis_datapoints_text = dis_datapoints_text + "[" + dis_results[j][0] + "," + dis_results[j][1] + "]"; if ( j < (dis_results.length - 1)){ dis_datapoints_text = dis_datapoints_text + ","; //add a comma after the entry, unless it's the last entry } } } dis_datapoints_text = dis_datapoints_text + "]";

// trans_results; [start,end,configuration] var trans_datapoints_text = "["; if (trans_results !=="no_data"){ for ( j=0 ; j < trans_results.length ; j++ ){ var start_plot = Math.floor((trans_results[j][0]-1)/200); var stop_plot = Math.floor((trans_results[j][1]-1)/200); if (start_plot == stop_plot){ trans_datapoints.push([trans_results[j][0],trans_results[j][1],trans_results[j][2]]); trans_datapoints_text = trans_datapoints_text + "[" + trans_results[j][0] + "," + trans_results[j][1] + ",'" + trans_results[j][2] + "']"; } else{ var involved_plots = stop_plot - start_plot; trans_datapoints.push([trans_results[j][0],(start_plot + 1)*200,trans_results[j][2]]); //go to the end of the line trans_datapoints_text = trans_datapoints_text + "[" + trans_results[j][0] + "," + ((start_plot + 1)*200).toString() + ",'" + trans_results[j][2] + "'],"; for ( i=0 ; i < (involved_plots-1) ; i++ ){ // the plots inbetween which are covered from start to end trans_datapoints.push([(start_plot + i + 1)*200 + 1, (start_plot + i + 2)*200, trans_results[j][2]]); trans_datapoints_text = trans_datapoints_text + "[" + ((start_plot + i + 1)*200 + 1).toString() + "," + ((start_plot + i + 2)*200).toString() + ",'" + trans_results[j][2] + "'],"; } trans_datapoints.push([stop_plot*200 + 1,trans_results[j][1],trans_results[j][2]]); //then from start of next plot to the end of the feature trans_datapoints_text = trans_datapoints_text + "[" + (stop_plot*200 + 1).toString() + "," + trans_results[j][1] + ",'" + trans_results[j][2] + "']"; } if ( j < (trans_results.length - 1)){ trans_datapoints_text = trans_datapoints_text + ","; //add a comma after the entry, unless it's the last entry } } } trans_datapoints_text = trans_datapoints_text + "]"; } /* * END OF PREDICTIONS OUTPUT CREATION */

//Create the hydrophobicity & charge plot if (hydrophobicity_charge_plot == "sequence too short"){ //so no plot possible HydrophobicityChargePlot = " The sequence is too short for a plot. It must be at least 5 amino acids long."; HydrophobicityChargePlotScript = ""; } else{ hydrophobicity_datapoints = []; //GLOBAL VARIABLE charge_datapoints = []; //GLOBAL VARIABLE var hydrophobicity_datapoints_text = "["; var charge_datapoints_text = "[";

for ( j = 0 ; j<hydrophobicity_charge_plot[0].length ; j++ ){ hydrophobicity_datapoints.push([2.5+j,hydrophobicity_charge_plot[0][j]]); charge_datapoints.push([2.5+j,hydrophobicity_charge_plot[1][j]]); hydrophobicity_datapoints_text = hydrophobicity_datapoints_text + "[" + (2.5+j) + "," + hydrophobicity_charge_plot[0][j].toFixed(2) + "]"; if ( j + 1 == hydrophobicity_charge_plot[0].length){ hydrophobicity_datapoints_text = hydrophobicity_datapoints_text + "]"; } else{ hydrophobicity_datapoints_text = hydrophobicity_datapoints_text + ","; } charge_datapoints_text = charge_datapoints_text + "[" + (2.5+j) + "," + hydrophobicity_charge_plot[1][j].toFixed(2) + "]"; if ( j + 1 == hydrophobicity_charge_plot[0].length){ charge_datapoints_text = charge_datapoints_text + "]"; } else{ charge_datapoints_text = charge_datapoints_text + ","; } }

flot_plot_options = []; //GLOBAL VARIABLE flot_plot_options[0] = { grid: { //backgroundColor: { colors: [ '#fff', '#eee' ] }, borderWidth: { top: 0, right: 0, bottom: 0, left: 0 } }, legend: {show: false}, xaxes: [{ show: true, min: 0, max: 200, ticks: [[0.5, '1'], [24.5, '25'], [49.5, '50'], [74.5, '75'], [99.5, '100'], [124.5, '125'], [149.5, '150'], [174.5, '175'], [199.5, '200']], tickLength: -5 }], yaxes: [{ show: true, ticks: [[0, '0'], [4.5,'hydro-
phobic '], [-4.5,'hydro-
philic ']], min: -4.5, max: +4.5, font: { size: 12, lineHeight: 14, style: "italic", weight: "bold", family: "sans-serif", variant: "small-caps", color: 'rgba(100,149,237,1)' } }, { show: true, ticks: [[0, ], [1,'positive
charge'], [-1,'negative
charge']], position: 'right', min: -1, max: 1, font: { size: 12, lineHeight: 14, style: "italic", weight: "bold", family: "sans-serif", variant: "small-caps", color: 'rgba(255,99,71,1)' } }] };

HydrophobicityChargePlot = " <input type='button' id='hydrophobicity_charge_button' onclick='show_or_hide_plot()' value='Show'>"

+ "";

HydrophobicityChargePlotScript = "" + "" + "<script type='text/javascript' src='http://code.jquery.com/jquery-1.10.0.min.js'></script>" + "<script type='text/javascript' src='https://2013.igem.org/Team:TU-Munich/Flot.js?action=raw&ctype=text/js'></script>" + "<script>" + "function show_or_hide_plot_" + creation_time.getTime() + "(){" + "hydrophobicity_datapoints = " + hydrophobicity_datapoints_text + ";" + "charge_datapoints = " + charge_datapoints_text + ";" + "dis_datapoints = " + dis_datapoints_text + ";" + "trans_datapoints = " + trans_datapoints_text + ";" + "sec_helix_datapoints = " + sec_helix_datapoints_text + ";" + "sec_strand_datapoints = " + sec_strand_datapoints_text + ";" + "acc_exposed_datapoints = " + acc_exposed_datapoints_text + ";" + "acc_buried_datapoints = " + acc_buried_datapoints_text + ";" + "flot_plot_options = []; " + "flot_plot_options[0] = {" + "grid: {" + "borderWidth: {" + "top: 0," + "right: 0," + "bottom: 0," + "left: 0" + "}" + "}," + "legend: {show: false}," + "xaxes: [{" + "show: true," + "min: 0," + "max: 200," + "ticks: [[0.5, '1'], [24.5, '25'], [49.5, '50'], [74.5, '75'], [99.5, '100'], [124.5, '125'], [149.5, '150'], [174.5, '175'], [199.5, '200']]," + "tickLength: -5" + "}]," + "yaxes: [{" + "show: true," + "ticks: [[0, '0'], [4.5,'hydro-
phobic '], [-4.5,'hydro-
philic ']]," + "min: -4.5," + "max: +4.5," + "font: {" + "size: 12," + "lineHeight: 14," + "style: 'italic'," + "weight: 'bold'," + "family: 'sans-serif'," + "variant: 'small-caps'," + "color: 'rgba(100,149,237,1)'" + "}" + "}," + "{" + "show: true," + "ticks: [[0, ], [1,'positive
charge'], [-1,'negative
charge']]," + "position: 'right'," + "min: -1," + "max: 1," + "font: {" + "size: 12," + "lineHeight: 14," + "style: 'italic'," + "weight: 'bold'," + "family: 'sans-serif'," + "variant: 'small-caps'," + "color: 'rgba(255,99,71,1)'" + "}" + "}]" + "};" + "number_of_plots = " + number_of_plots + ";" + "for ( plot_num = 1 ; plot_num < number_of_plots ; plot_num ++){" + "flot_plot_options[plot_num] = $.extend(true, {} ,flot_plot_options[0]);" + "flot_plot_options[plot_num].xaxes = [{" + "min: plot_num*200," + "max: (plot_num + 1)*200," + "ticks: [ [plot_num*200 + 0.5, (plot_num*200 + 1).toString()], " + "[plot_num*200 + 24.5, (plot_num*200 + 25).toString()], " + "[plot_num*200 + 49.5, (plot_num*200 + 50).toString()], " + "[plot_num*200 + 74.5, (plot_num*200 + 75).toString()], " + "[plot_num*200 + 99.5, (plot_num*200 + 100).toString()], " + "[plot_num*200 + 124.5, (plot_num*200 + 125).toString()], " + "[plot_num*200 + 149.5, (plot_num*200 + 150).toString()], " + "[plot_num*200 + 174.5, (plot_num*200 + 175).toString()], " + "[plot_num*200 + 199.5, (plot_num*200 + 200).toString()] ]," + "tickLength: -5" + "}];" + "};" + "try {" + "if( $('#AutoAnnotator_container_" + creation_time.getTime() + " #hydrophobicity_charge_button').val() =='Show' ){" + "$('#AutoAnnotator_container_" + creation_time.getTime() + " #hydrophobicity_charge_container').css('display','block');" + "$('#AutoAnnotator_container_" + creation_time.getTime() + " #hydrophobicity_charge_button').val('Hide');"

+ "var description_html = '

';"

+ "description_html = description_html + '
<input type=\\\'checkbox\\\' id=\\\'hydrophobicity_checkbox\\\' checked=\\\'checked\\\'> Moving average over 5 amino acids for hydrophobicity (<img src=\\\'https://static.igem.org/mediawiki/2013/e/e9/TUM13_hydrophobicity_icon.png\\\' alt=\\\'blue graph\\\' height=\\\'10\\\'></img>)';" + "description_html = description_html + '
<input type=\\\'checkbox\\\' id=\\\'charge_checkbox\\\' checked=\\\'checked\\\'> Moving average over 5 amino acids for charge (<img src=\\\'https://static.igem.org/mediawiki/2013/3/3e/TUM13_charge_icon.png\\\' alt=\\\'red graph\\\' height=\\\'10\\\'></img>)';" + "description_html = description_html + '
<input type=\\\'checkbox\\\' id=\\\'dis_checkbox\\\' checked=\\\'checked\\\'> Predicted disulfid bridges (<img src=\\\'https://static.igem.org/mediawiki/2013/2/28/TUM13_dis_icon.png\\\' alt=\\\'yellow circle\\\' height=\\\'10\\\'></img>) with the number of the bridge in the center';" + "description_html = description_html + '
<input type=\\\'checkbox\\\' id=\\\'trans_checkbox\\\' checked=\\\'checked\\\'> Predicted transmembrane helices (<img src=\\\'https://static.igem.org/mediawiki/2013/7/78/TUM13_trans_icon.png\\\' alt=\\\'turquois bars\\\' height=\\\'10\\\'></img>)';" + "description_html = description_html + '
<input type=\\\'checkbox\\\' id=\\\'sec_checkbox\\\' checked=\\\'checked\\\'> Predicted secondary structure: Helices (<img src=\\\'https://static.igem.org/mediawiki/2013/b/bf/TUM13_helix_icon.png\\\' alt=\\\'violet bars\\\' height=\\\'10\\\'></img>) and beta-strands (<img src=\\\'https://static.igem.org/mediawiki/2013/b/bf/TUM13_strand_icon.png\\\' alt=\\\'yellow bars\\\' height=\\\'10\\\'></img>)';" + "description_html = description_html + '
<input type=\\\'checkbox\\\' id=\\\'acc_checkbox\\\' checked=\\\'checked\\\'> Predicted solvent accessability: Exposed (<img src=\\\'https://static.igem.org/mediawiki/2013/1/16/TUM13_exposed_icon.png\\\' alt=\\\'blue bars\\\' height=\\\'10\\\'></img>) and buried (<img src=\\\'https://static.igem.org/mediawiki/2013/0/0b/TUM13_buried_icon.png\\\' alt=\\\'green bars\\\' height=\\\'10\\\'></img>) residues';"

+ "description_html = description_html + '

';"

+ "$('#AutoAnnotator_container_" + creation_time.getTime() + " #hydrophobicity_charge_explanation').html(description_html);" + "plot_according_to_selectors_" + creation_time.getTime() + "();" + "$('#AutoAnnotator_container_" + creation_time.getTime() + " #AutoAnnotator_plot_selectors').find('input').click(plot_according_to_selectors_" + creation_time.getTime() + ");" + "}" + "else{" + "$('#AutoAnnotator_container_" + creation_time.getTime() + " #hydrophobicity_charge_container').css('display','none');" + "$('#AutoAnnotator_container_" + creation_time.getTime() + " #hydrophobicity_charge_button').val('Show');" + "$('#AutoAnnotator_container_" + creation_time.getTime() + " #hydrophobicity_charge_explanation').html();" + "}" + "}" + "catch(err){" + "txt='There was an error with the button controlling the visibility of the plot.\\n';" + "txt=txt+'The originating error is:\\n' + err + '\\n\\n';" + "alert(txt);" + "}" + "};" + "function plot_according_to_selectors_" + creation_time.getTime() + "(){" + "try{" + "var plot_datasets = [[],[]];" + "if($('#AutoAnnotator_container_" + creation_time.getTime() + " #hydrophobicity_checkbox').prop('checked') == true){" + "plot_datasets[0] = { " + "color: 'rgba(100,149,237,1)'," + "data: hydrophobicity_datapoints," + "label: 'Hydrophobicity'," + "lines: { show: true, fill: true, fillColor: 'rgba(100,149,237,0.1)' }," + "yaxis: 1" + "};" + "}" + "if($('#AutoAnnotator_container_" + creation_time.getTime() + " #charge_checkbox').prop('checked') == true){" + "plot_datasets[1] = {" + "color: 'rgba(255,99,71,1)'," + "data: charge_datapoints," + "label: 'Charge'," + "lines: { show: true, fill: true, fillColor: 'rgba(255,99,71,0.1)' }," + "yaxis: 2" + "};" + "}" + "for (plot_num = 0 ; plot_num < number_of_plots ; plot_num ++){" + "$.plot('#AutoAnnotator_container_" + creation_time.getTime() + " #hydrophobicity_charge_placeholder'+ plot_num.toString(), plot_datasets, flot_plot_options[plot_num] );" + "}" + "var screen_width = $('canvas.flot-base').width(); " + "var pos_of_first_tick = 46;" + "var pos_of_last_tick = screen_width - 51;" + "var tick_diff = (screen_width - 97)/199;" + "if($('#AutoAnnotator_container_" + creation_time.getTime() + " #dis_checkbox').prop('checked') == true){" + "for ( j = 0 ; j < dis_datapoints.length ; j++ ){"

+ "$('#AutoAnnotator_container_" + creation_time.getTime() + " #hydrophobicity_charge_placeholder' + Math.floor((dis_datapoints[j][0] - 1)/200) ).append('

' + (j+1) + '

');" + "$('#AutoAnnotator_container_" + creation_time.getTime() + " #hydrophobicity_charge_placeholder' + Math.floor((dis_datapoints[j][1] - 1)/200) ).append('

' + (j+1) + '

');"

+ "}" + "}" + "if($('#AutoAnnotator_container_" + creation_time.getTime() + " #trans_checkbox').prop('checked') == true){" + "for ( j = 0 ; j < trans_datapoints.length ; j++ ){"

+ "$('#AutoAnnotator_container_" + creation_time.getTime() + " #hydrophobicity_charge_placeholder' + Math.floor((trans_datapoints[j][0] - 1)/200) ).append('

');"

+ "}" + "}" + "if($('#AutoAnnotator_container_" + creation_time.getTime() + " #sec_checkbox').prop('checked') == true){" + "for ( j = 0 ; j < sec_helix_datapoints.length ; j++ ){"

+ "$('#AutoAnnotator_container_" + creation_time.getTime() + " #hydrophobicity_charge_placeholder' + Math.floor((sec_helix_datapoints[j][0] - 1)/200) ).append('

');"

+ "}" + "for ( j = 0 ; j < sec_strand_datapoints.length ; j++ ){"

+ "$('#AutoAnnotator_container_" + creation_time.getTime() + " #hydrophobicity_charge_placeholder' + Math.floor((sec_strand_datapoints[j][0] - 1)/200) ).append('

');"

+ "}" + "}" + "if($('#AutoAnnotator_container_" + creation_time.getTime() + " #acc_checkbox').prop('checked') == true){" + "for ( j = 0 ; j < acc_buried_datapoints.length ; j++ ){"

+ "$('#AutoAnnotator_container_" + creation_time.getTime() + " #hydrophobicity_charge_placeholder' + Math.floor((acc_buried_datapoints[j][0] - 1)/200) ).append('

');"

+ "}" + "for ( j = 0 ; j < acc_exposed_datapoints.length ; j++ ){"

+ "$('#AutoAnnotator_container_" + creation_time.getTime() + " #hydrophobicity_charge_placeholder' + Math.floor((acc_exposed_datapoints[j][0] - 1)/200) ).append('

');"

+ "}" + "}" + "}" + "catch(err){" + "txt='There was an error while drawing the selected elements for the plot.\\n';" + "txt=txt+'The originating error is:\\n' + err + '\\n\\n';" + "throw(txt);" + "}" + "}" + "</script>";

};

if (bb_number == ""){ var bb_number_appear = ""; } else{ var bb_number_appear = bb_number; }

// --- Create the output --- var htmlCode = "";

// Code to display the table htmlCode = htmlCode + "" + "<style type=\"text/css\">" + "table#AutoAnnotator {border:1px solid black; width:100%; border-collapse:collapse;} " + "th#AutoAnnotatorHeader { border:1px solid black; width:100%; background-color: rgb(221, 221, 221);} " //soll STRONG sein + "td.AutoAnnotator1col { width:100%; border:1px solid black; } " + "span.AutoAnnotatorSequence { font-family:'Courier New', Arial; } " + "td.AutoAnnotatorSeqNum { text-align:right; width:2%; } " + "td.AutoAnnotatorSeqSeq { width:98% } " + "td.AutoAnnotatorSeqFeat1 { width:3% } " + "td.AutoAnnotatorSeqFeat2a { width:27% } " + "td.AutoAnnotatorSeqFeat2b { width:97% } " + "td.AutoAnnotatorSeqFeat3 { width:70% } " + "table.AutoAnnotatorNoBorder { border:0px; width:100%; border-collapse:collapse; } " + "table.AutoAnnotatorWithBorder { border:1px solid black; width:100%; border-collapse:collapse; } " + "td.AutoAnnotatorOuterAmino { border:0px solid black; width:20% } " + "td.AutoAnnotatorInnerAmino { border:1px solid black; width:50% } " + "td.AutoAnnotatorAminoCountingOuter { border:1px solid black; width:40%; } " + "td.AutoAnnotatorBiochemParOuter { border:1px solid black; width:60%; } " + "td.AutoAnnotatorAminoCountingInner1 { width: 7.5% } " + "td.AutoAnnotatorAminoCountingInner2 { width:62.5% } " + "td.AutoAnnotatorAminoCountingInner3 { width:30% } " + "td.AutoAnnotatorBiochemParInner1 { width: 5% } " + "td.AutoAnnotatorBiochemParInner2 { width:55% } " + "td.AutoAnnotatorBiochemParInner3 { width:40% } " + "td.AutoAnnotatorCodonUsage1 { width: 3% } " + "td.AutoAnnotatorCodonUsage2 { width:14.2% } " + "td.AutoAnnotatorCodonUsage3 { width:13.8% } " + "td.AutoAnnotatorAlignment1 { width: 3% } " + "td.AutoAnnotatorAlignment2 { width: 10% } " + "td.AutoAnnotatorAlignment3 { width: 87% } " + "td.AutoAnnotatorLocalizationOuter {border:1px solid black; width:40%} " + "td.AutoAnnotatorGOOuter {border:1px solid black; width:60%} " + "td.AutoAnnotatorLocalization1 { width: 7.5% } " + "td.AutoAnnotatorLocalization2 { width: 22.5% } " + "td.AutoAnnotatorLocalization3 { width: 70% } " + "td.AutoAnnotatorGO1 { width: 5% } " + "td.AutoAnnotatorGO2 { width: 35% } " + "td.AutoAnnotatorGO3 { width: 60% } " + "td.AutoAnnotatorPredFeat1 { width:3% } " + "td.AutoAnnotatorPredFeat2a { width:27% } " + "td.AutoAnnotatorPredFeat3 { width:70% } " + "div.AutoAnnotator_trans { position:absolute; background:rgb(11,140,143); background-color:rgba(11,140,143, 0.8); height:5px; top:100px; } " + "div.AutoAnnotator_sec_helix { position:absolute; background:rgb(102,0,102); background-color:rgba(102,0,102, 0.8); height:5px; top:110px; } " + "div.AutoAnnotator_sec_strand { position:absolute; background:rgb(245,170,26); background-color:rgba(245,170,26, 1); height:5px; top:110px; } " + "div.AutoAnnotator_acc_buried { position:absolute; background:rgb(89,168,15); background-color:rgba(89,168,15, 0.8); height:5px; top:120px; } " + "div.AutoAnnotator_acc_exposed { position:absolute; background:rgb(0, 0, 255); background-color:rgba(0, 0, 255, 0.8); height:5px; top:120px; } " + "div.AutoAnnotator_dis { position:absolute; text-align:center; font-family:Arial,Helvetica,sans-serif; background:rgb(255, 200, 0); background-color:rgba(255, 200, 0, 1); height:16px; width:16px; top:80px; border-radius:50%; } "

+ "</style>"

+ "

" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" // close the cell of Amino acid composition + "" + "" //close Amino acid counting cell + "" //close Biochemical parameters cell + "" + "" + "" + "" //close Codon usage cell + "" + "" + "" + "" + "" + PredictionTable + "" + "" + "

Protein data table for BioBrick <a href=\"http://parts.igem.org/wiki/index.php?title=Part:BBa_" + bb_number_appear + "\">BBa_" + bb_number_appear + "</a> automatically created by the <a href=\"https://2013.igem.org/Team:TU-Munich/Results/AutoAnnotator\">BioBrick-AutoAnnotator</a> version 1.0" + "

" + "Nucleotide sequence in " + RFC_standard + "
" + nuc_sequence_to_display_html + "" + "
" + " ORF from nucleotide position " + (reading_frame_start + 1) + " to " + (reading_frame_end + 1) + " (excluding stop-codon)" + "

Amino acid sequence: (RFC 25 scars in shown in bold, other sequence features underlined; both given below)
" + amino_output + "

Sequence features: (with their position in the amino acid sequence, see the <a href=\"https://2013.igem.org/Team:TU-Munich/Results/Software/FeatureList\">list of supported features</a>)"

+ SequenceFeatureTable //created above

+ "

Amino acid composition:"

//TABLE IN TABLE

+ "" + "" + "" + "" + "" + "" + "" + "" + "

" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "

Ala (A)" + "	" + amino_content.A + " (" + amino_freq.A.toFixed(1) + "%)" + "
Arg (R)" + "	" + amino_content.R + " (" + amino_freq.R.toFixed(1) + "%)" + "
Asn (N)" + "	" + amino_content.N + " (" + amino_freq.N.toFixed(1) + "%)" + "
Asp (D)" + "	" + amino_content.D + " (" + amino_freq.D.toFixed(1) + "%)" + "

" + "

" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "

Cys (C)" + "	" + amino_content.C + " (" + amino_freq.C.toFixed(1) + "%)" + "
Gln (Q)" + "	" + amino_content.Q + " (" + amino_freq.Q.toFixed(1) + "%)" + "
Glu (E)" + "	" + amino_content.E + " (" + amino_freq.E.toFixed(1) + "%)" + "
Gly (G)" + "	" + amino_content.G + " (" + amino_freq.G.toFixed(1) + "%)" + "

" + "

" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "

His (H)" + "	" + amino_content.H + " (" + amino_freq.H.toFixed(1) + "%)" + "
Ile (I)" + "	" + amino_content.I + " (" + amino_freq.I.toFixed(1) + "%)" + "
Leu (L)" + "	" + amino_content.L + " (" + amino_freq.L.toFixed(1) + "%)" + "
Lys (K)" + "	" + amino_content.K + " (" + amino_freq.K.toFixed(1) + "%)" + "

" + "

" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "

Met (M)" + "	" + amino_content.M + " (" + amino_freq.M.toFixed(1) + "%)" + "
Phe (F)" + "	" + amino_content.F + " (" + amino_freq.F.toFixed(1) + "%)" + "
Pro (P)" + "	" + amino_content.P + " (" + amino_freq.P.toFixed(1) + "%)" + "
Ser (S)" + "	" + amino_content.S + " (" + amino_freq.S.toFixed(1) + "%)" + "

" + "

" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "

Thr (T)" + "	" + amino_content.T + " (" + amino_freq.T.toFixed(1) + "%)" + "
Trp (W)" + "	" + amino_content.W + " (" + amino_freq.W.toFixed(1) + "%)" + "
Tyr (Y)" + "	" + amino_content.Y + " (" + amino_freq.Y.toFixed(1) + "%)" + "
Val (V)" + "	" + amino_content.V + " (" + amino_freq.V.toFixed(1) + "%)" + "

" + "

" + "Amino acid counting" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "

	Total number:" + "	" + total_aminos + "
	Positively charged (Arg+Lys):" + "	" + (amino_content.R + amino_content.K) + " (" + ((amino_content.R + amino_content.K)*100/total_aminos).toFixed(1) + "%)" + "
	Negatively charged (Asp+Glu):" + "	" + (amino_content.D + amino_content.E) + " (" + ((amino_content.D + amino_content.E)*100/total_aminos).toFixed(1) + "%)" + "
	Aromatic (Phe+His+Try+Tyr):" + "	" + (amino_content.F + amino_content.H + amino_content.W + amino_content.Y) + " (" + ((amino_content.F + amino_content.H + amino_content.W + amino_content.Y)*100/total_aminos).toFixed(1) + "%)" + "

" + "

" + "Biochemical parameters" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "

	Atomic composition:" + "	" + atomic_composition_output + "
	Molecular mass [Da]:" + "	" + molecular_weight.toFixed(1) + "
	Theoretical pI:" + "	" + pI.toFixed(2) + "
	Extinction coefficient at 280 nm [M^-1 cm^-1]:" + "	" + extinction_coeffs[1].toFixed(0) + " / " + extinction_coeffs[0].toFixed(0) + " (all Cys red/ox)" + "

" + "

Plot for hydrophobicity, charge, predicted secondary structure, solvent accessability, transmembrane helices and disulfid bridges"

+ HydrophobicityChargePlot

+ "

Codon usage" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "" + "

	Organism:	E. coli	B. subtilis	S. cerevisiae	A. thaliana	P. patens	Mammals
	Codon quality (<a href=\"http://en.wikipedia.org/wiki/Codon_Adaptation_Index\">CAI</a>):	" + codon_usage[0] + "	" + codon_usage[3] + "	" + codon_usage[1] + "	" + codon_usage[4] + "	" + codon_usage[5] + "	" + codon_usage[2] + "

" + "

Alignments (obtained from <a href='http://predictprotein.org'>PredictProtein.org</a>)"

+ AlignmentTable

+ "

Predictions (obtained from <a href='http://predictprotein.org'>PredictProtein.org</a>)" + "

The BioBrick-AutoAnnotator was created by <a href=\"https://2013.igem.org/Team:TU-Munich\">TU-Munich 2013</a> iGEM team. For more information please see the <a href=\"https://2013.igem.org/Team:TU-Munich/Results/Software\">documentation</a>.
If you have any questions, comments or suggestions, please leave us a <a href=\"https://2013.igem.org/Team:TU-Munich/Results/AutoAnnotator\">comment</a>." + "

"

+ "
";

$("#htmlTable").html(htmlCode); $("#htmlExplanation").html("The generated table giving various computed parameters: (The wiki-code producing this table is below)");

show_or_hide_plot(); //draw the plot by default

var string_to_replace = " <input type='button' id='hydrophobicity_charge_button' onclick='show_or_hide_plot()' value='"; var string_to_insert = " <input type='button' id='hydrophobicity_charge_button' onclick='show_or_hide_plot_" + creation_time.getTime() + "()' value='"; var copiableHtmlCode = htmlCode.replace(string_to_replace, string_to_insert);

$("#wikiTable").text("" + copiableHtmlCode + HydrophobicityChargePlotScript + ""); $("#wikiTable").css("display","block"); $("#wikiExplanation").html("Copy the following into the wiki to get the protein-data-table:");

$("#wikiTable").focus(); $("#wikiTable").select(); $(window).scrollTop($('#htmlExplanation').offset().top); } catch(err){ txt="There was an error while compiling the output.\n\n"; if ((err.toString()).substr(0,16) == "An error occured"){ txt = txt + "This error originated at a lower level: \n\n" + err.toString(); } else{ txt=txt + "The originating error is: \n" + err + "\n\n"; } alert(txt); return; //to end execution }

};

function show_or_hide_plot(){ try { if( $('#hydrophobicity_charge_button').val() =='Show' ){

$('#hydrophobicity_charge_container').css('display','block'); $('#hydrophobicity_charge_button').val('Hide');

var description_html = '<div id=\'AutoAnnotator_plot_selectors\; description_html = description_html + '
<input type=\'checkbox\' id=\'hydrophobicity_checkbox\' checked=\'checked\'> Moving average over 5 amino acids for hydrophobicity (<img src=\'https://static.igem.org/mediawiki/2013/e/e9/TUM13_hydrophobicity_icon.png\' alt=\'blue graph\' height=\'10\'></img>)'; description_html = description_html + '
<input type=\'checkbox\' id=\'charge_checkbox\' checked=\'checked\'> Moving average over 5 amino acids for charge (<img src=\'https://static.igem.org/mediawiki/2013/3/3e/TUM13_charge_icon.png\' alt=\'red graph\' height=\'10\'></img>)'; description_html = description_html + '
<input type=\'checkbox\' id=\'dis_checkbox\' checked=\'checked\'> Predicted disulfid bridges (<img src=\'https://static.igem.org/mediawiki/2013/2/28/TUM13_dis_icon.png\' alt=\'yellow circle\' height=\'10\'></img>) with the number of the bridge in the center'; description_html = description_html + '
<input type=\'checkbox\' id=\'trans_checkbox\' checked=\'checked\'> Predicted transmembrane helices (<img src=\'https://static.igem.org/mediawiki/2013/7/78/TUM13_trans_icon.png\' alt=\'turquois bars\' height=\'10\'></img>)'; description_html = description_html + '
<input type=\'checkbox\' id=\'sec_checkbox\' checked=\'checked\'> Predicted secondary structure: Helices (<img src=\'https://static.igem.org/mediawiki/2013/b/bf/TUM13_helix_icon.png\' alt=\'violet bars\' height=\'10\'></img>) and beta-strands (<img src=\'https://static.igem.org/mediawiki/2013/b/bf/TUM13_strand_icon.png\' alt=\'yellow bars\' height=\'10\'></img>)'; description_html = description_html + '
<input type=\'checkbox\' id=\'acc_checkbox\' checked=\'checked\'> Predicted solvent accessability: Exposed (<img src=\'https://static.igem.org/mediawiki/2013/1/16/TUM13_exposed_icon.png\' alt=\'blue bars\' height=\'10\'></img>) and buried (<img src=\'https://static.igem.org/mediawiki/2013/0/0b/TUM13_buried_icon.png\' alt=\'green bars\' height=\'10\'></img>) residues'; description_html = description_html + '
</div>'; //
Moving average over 5 amino acids for hydrophobicity (blue) and charge (red) $('#hydrophobicity_charge_explanation').html(description_html);

plot_according_to_selectors();

$('#AutoAnnotator_plot_selectors').find('input').click(plot_according_to_selectors); }

else{ //so is on hide $('#hydrophobicity_charge_container').css('display','none'); $('#hydrophobicity_charge_button').val('Show'); $('#hydrophobicity_charge_explanation').html(); } } catch(err){ txt="There was an error with the button controlling the visibility of the plot.\n"; txt=txt+"The originating error is:\n" + err + "\n\n"; alert(txt); } };

for (plot_num = 0 ; plot_num < number_of_plots ; plot_num ++){ $.plot('#hydrophobicity_charge_placeholder'+ plot_num.toString(), plot_datasets, flot_plot_options[plot_num] ); }

//set up of general measures for drawing into the plots var screen_width = $('canvas.flot-base').width(); var pos_of_first_tick = 46; //tick 1 var pos_of_last_tick = screen_width - 51; //tick 200 var tick_diff = (screen_width - 97)/199; // distance between two adjacent ticks

if($('#dis_checkbox').prop('checked') == true){ for ( j = 0 ; j < dis_datapoints.length ; j++ ){

$('#hydrophobicity_charge_placeholder' + Math.floor((dis_datapoints[j][0] - 1)/200) ).append('

' + (j+1) + '

'); $('#hydrophobicity_charge_placeholder' + Math.floor((dis_datapoints[j][1] - 1)/200) ).append('

' + (j+1) + '

');

} }

if($('#trans_checkbox').prop('checked') == true){ for ( j = 0 ; j < trans_datapoints.length ; j++ ){

$('#hydrophobicity_charge_placeholder' + Math.floor((trans_datapoints[j][0] - 1)/200) ).append('

');

} }

if($('#sec_checkbox').prop('checked') == true){ for ( j = 0 ; j < sec_helix_datapoints.length ; j++ ){

$('#hydrophobicity_charge_placeholder' + Math.floor((sec_helix_datapoints[j][0] - 1)/200) ).append('

');

} for ( j = 0 ; j < sec_strand_datapoints.length ; j++ ){

$('#hydrophobicity_charge_placeholder' + Math.floor((sec_strand_datapoints[j][0] - 1)/200) ).append('

');

} }

if($('#acc_checkbox').prop('checked') == true){ for ( j = 0 ; j < acc_buried_datapoints.length ; j++ ){

$('#hydrophobicity_charge_placeholder' + Math.floor((acc_buried_datapoints[j][0] - 1)/200) ).append('

');

} for ( j = 0 ; j < acc_exposed_datapoints.length ; j++ ){

$('#hydrophobicity_charge_placeholder' + Math.floor((acc_exposed_datapoints[j][0] - 1)/200) ).append('

');

} } } catch(err){ txt='There was an error while drawing the selected elements for the plot.\n'; txt=txt+'The originating error is:\n' + err + '\n\n'; throw(txt); } }

function find_sequence_features(local_coding_nuc_sequence,local_amino_sequence){ //returns the object Features with EXTERNAL index as property and feature as value try{ var Features = {};

//first look for RFC25 scars for ( i = 0 ; i < local_coding_nuc_sequence.length ; i = i + 3){ var codonpair = local_coding_nuc_sequence.substr(i,6); if (codonpair == "ACCGGC"){ Features[(i/3) + 1] = "TG"; } } //find forbidden restriction sites?

//var motives_found = amino_sequence.match(search_regexp);

while ((match = search_regexp.exec(local_amino_sequence)) != null) { Features[match.index + 1] = match[0]; // match.index gives the location of the first aa in the feature BUT starting from 0 search_regexp.lastIndex = match.index + 1; // to look for overlapping features }

return Features; } catch(err){ txt = "An error occured while finding sequence features and preparing the output.\n"; if ((err.toString()).substr(0,16) == "An error occured"){ txt = txt + "This error originated at a lower level: \n\n" + err.toString(); } else{ txt=txt + "The originating error is: \n" + err + "\n\n"; } throw txt; } };

function find_reading_frame(nuc_sequence){ try{ // atg_position is the first nucleotide in the ATG (start codon) // stop_position is the first nucleotide in the stop codon var isRFC25 = false;

// check for RFC 25 var ideal_stop = nuc_sequence.length - 3; if (nuc_sequence.length%3 == 0 && !((nuc_sequence.substr(ideal_stop,3) in stop_codons) )){ // so length is divisible by 3 and the sequence does not end with a stop codon var atg_position = nuc_sequence.indexOf("ATG"); if (atg_position == -1){ //so there is no ATG in the string, so must be RFC 25 part isRFC25 = true; //at least try it } else{ // try the RFC 10 configuration with the start found var stop_position = -1; for ( i = atg_position + 3 ; i < nuc_sequence.length ; i = i + 3){ var codon = nuc_sequence.substr(i,3); if ( codon in stop_codons ){ stop_position = i; break; } }

if (stop_position == -1){ if ((nuc_sequence.length - atg_position)%3 == 0){ //so have RFC 10 with no stop or RFC 25 N-Part var isNPart=confirm("Is this part an RFC 25 N-Part? Alternatively it is assumed to be an RFC 10 part using the stop in the suffix.\n\nPress 'OK', if it is an RFC 25 N-part."); if (isNPart === true){ stop_position = nuc_sequence.length + 6; } else{ stop_position = nuc_sequence.length + 3; } } else{ isRFC25 = true; //at least try it } }

if( !(isRFC25) ){ // take this start and stop unless RFC 25 is complete, so check this // try whether RFC 25 spans the whole sequence rfc25_stop_position = -1; for ( j = 0 ; j < nuc_sequence.length ; j = j + 3 ){ var codon = nuc_sequence.substr(j,3); if ( codon in stop_codons ){ rfc25_stop_position = j; break; } } if (rfc25_stop_position == -1){ //otherwise is not an RFC 25 part, so use the start and stop positions already found //so it could also be RFC 25; //check reading length of the RFC 10 version, to see whether is obviously makes no sense if ((stop_position - atg_position) < 0.9*(nuc_sequence.length)){ //so RFC 10 frame is very short, so assume RFC 25 isRFC25 = true; } else{ // so both would make sense -> ask the user isRFC25 = confirm("This part could be an RFC 25 part or an RFC 10 part with ORF from " + (atg_position+1) + " to " + (stop_position) + ".\n\nIs this part RFC25?\n\nIf yes, press OK, otherwise RFC 10 will be used."); // is cancel, then nothing is done later, so we carry the start and stop positions found earlier forward } } } } } else{ // so: [sequence is not divisible by 3] or [it is, but ends with a stop] // so RFC 25 doesn't make sense var atg_position = nuc_sequence.indexOf("ATG"); if ( atg_position > -1){ var stop_position = -1; for ( i = atg_position + 3 ; i < nuc_sequence.length ; i = i + 3){ var codon = nuc_sequence.substr(i,3); if ( codon in stop_codons ){ stop_position = i; break; } } if (stop_position == -1){ if ((nuc_sequence.length - atg_position)%3 == 0){ var isNPart=confirm("Is this part an RFC 25 N-Part? Alternatively it is assumed to be an RFC 10 part using the stop in the suffix.\n\nPress 'OK', if it is an RFC 25 N-part."); if (isNPart === true){ stop_position = nuc_sequence.length + 6; } else{ stop_position = nuc_sequence.length + 3; } } else { alert("No stop codon found in frame and can not use stop codon in suffix of RFC 10 or RFC 25!\nPlease enter the complete coding DNA sequence (with start and stop codon) directly!"); return; } } } else { alert("No ATG found and part does not comply with RFC 25!\nPlease enter the complete coding DNA sequence (with start and stop codon) directly!"); return; } }

if ( isRFC25 ){ //so RFC25, otherwise have determined start and stop position above already atg_position = -9; stop_position = nuc_sequence.length + 6; //check that this makes sense rfc25_stop_position = -1; for ( j = 0 ; j < nuc_sequence.length ; j = j + 3 ){ var codon = nuc_sequence.substr(j,3); if ( codon in stop_codons ){ rfc25_stop_position = j; break; } } if (!(rfc25_stop_position == -1)){ alert("This part does not contain a sensible open reading frame in RFC 10 or RFC 25!\nPlease enter the complete coding DNA sequence (with start and stop codon) directly!"); return; } }

var reading_length = stop_position - atg_position + 3; if ( (reading_length / nuc_sequence.length) < 0.75){ alert("Note: The reading frame found for this part is very short compared to the length of the sequence.\n\nCheck the results carefully!\n\nIf they are wrong, please entere the complete coding DNA sequence (with start and stop codon) directly!"); }

var reading_frame_start_found = atg_position; var reading_frame_end_found = stop_position - 1; //the last nucleotide to be translated

return [reading_frame_start_found,reading_frame_end_found]; } catch(err){ txt = "An error occured while determining the appropriate open reading frame (ORF) of the provided sequence.\n"; if ((err.toString()).substr(0,16) == "An error occured"){ txt = txt + "This error originated at a lower level: \n\n" + err.toString(); } else{ txt=txt + "The originating error is: \n" + err + "\n\n"; } throw txt; } };

};

function analyze_codons(local_codon_count,local_amino_content){ try{ var total_synon_codons = 0; var E_coli_prod = 1; var Yeast_prod = 1; var Mammalian_prod = 1; var Arabidopsis_prod = 1; var Subtilis_prod = 1; var Physco_prod = 1;

for (codon in local_codon_count){ if (codon in non_synonymous_codons){ //ignore the non-synonymous codons continue; }

total_synon_codons = total_synon_codons + local_codon_count[codon]; //should give the total number of codons (excluding stop codons) E_coli_prod = E_coli_prod * Math.pow( E_coli_codon_weights[codon], local_codon_count[codon]); Yeast_prod = Yeast_prod * Math.pow( Yeast_codon_weights[codon], local_codon_count[codon]); Mammalian_prod = Mammalian_prod * Math.pow( Mouse_codon_weights[codon], local_codon_count[codon]); Subtilis_prod = Subtilis_prod * Math.pow( Subtilis_codon_weights[codon], local_codon_count[codon]); Arabidopsis_prod = Arabidopsis_prod * Math.pow(Arabidopsis_codon_weights[codon], local_codon_count[codon]); Physco_prod = Physco_prod * Math.pow( Physco_codon_weights[codon], local_codon_count[codon]); };

var E_coli_CAI = Math.pow( E_coli_prod, 1/total_synon_codons); var Yeast_CAI = Math.pow( Yeast_prod, 1/total_synon_codons); var Mammalian_CAI = Math.pow( Mammalian_prod, 1/total_synon_codons); var Subtilis_CAI = Math.pow( Subtilis_prod, 1/total_synon_codons); var Arabidopsis_CAI = Math.pow( Arabidopsis_prod, 1/total_synon_codons); var Physco_CAI = Math.pow( Physco_prod, 1/total_synon_codons);

}

@@ Line 1,776: / Line 1,776: @@
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