icn3d 3.30.4 → 3.30.6
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/icn3d.js +90 -77
- package/icn3d.min.js +3 -3
- package/icn3d.module.js +90 -77
- package/package.json +1 -1
package/icn3d.module.js
CHANGED
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@@ -12884,17 +12884,17 @@ class SetDialog {
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12884
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setTemplateMenu() { let me = this.icn3dui; me.icn3d;
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let group2tpl = {};
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group2tpl['
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12888
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group2tpl['
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12889
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group2tpl['
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12890
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group2tpl['
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12891
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group2tpl['
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12887
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group2tpl['IgV'] = ['CD28_1yjdC_human_V', 'CD2_1hnfA_human_V-n1', 'CD8a_1cd8A_human_V', 'FAB-HEAVY_5esv_V-n1', 'FAB-LIGHT_5esv_V-n1', 'ICOS_6x4gA_human_V', 'LAG3_7tzgD_human_V-n1', 'PD1_4zqkB_human_V', 'PDL1_4z18B_human_V-n1', 'TCRa_6jxrm_human_V-n1', 'VISTA_6oilA_human_V', 'VNAR_1t6vN_shark_V'];
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12888
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group2tpl['IgC1'] = ['B2Microglobulin_7phrL_human_C1', 'CD3d_6jxrd_human_C1', 'CD3e_6jxrf_human_C1', 'FAB-LIGHT_5esv_C1-n2', 'FAB-HEAVY_5esv_C1-n2', 'GHR_1axiB_human_C1-n1', 'LAG3_7tzgD_human_C1-n2', 'MHCIa_7phrH_human_C1', 'Siglec3_5j0bB_human_C1-n2', 'TCRa_6jxrm_human_C1-n2', 'VTCN1_Q7Z7D3_human_C1-n2'];
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12889
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group2tpl['IgC2'] = ['CD2_1hnfA_human_C2-n2', 'CD3g_6jxrg_human_C2'];
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12890
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group2tpl['IgI'] = ['BTLA_2aw2A_human_Iset', 'Contactin1_3s97C_human_Iset-n2', 'JAM1_1nbqA_human_Iset-n2', 'Palladin_2dm3A_human_Iset-n1', 'Titin_4uowM_human_Iset-n152'];
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12891
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group2tpl['IgE'] = ['CoAtomerGamma1_1r4xA_human', 'Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4', 'IsdA_2iteA_bacteria', 'NaKATPaseTransporterBeta_2zxeB_spurdogshark', 'TP34_2o6cA_bacteria', 'TP47_1o75A_bacteria'];
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12892
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12893
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-
group2tpl['
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group2tpl['IgFN3'] = ['Contactin1_2ee2A_human_FN3-n9', 'IL6Rb_1bquB_human_FN3-n2', 'IL6Rb_1bquB_human_FN3-n3', 'InsulinR_8guyE_human_FN3-n1', 'InsulinR_8guyE_human_FN3-n2', 'Sidekick2_1wf5A_human_FN3-n7'];
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12894
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12895
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-
group2tpl['
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group2tpl['IgFN3-like'] = ['ASF1A_2iijA_human', 'BArrestin1_4jqiA_rat_n1', 'C3_2qkiD_human_n1', 'MPT63_1lmiA_bacteria', 'NaCaExchanger_2fwuA_dog_n2', 'RBPJ_6py8C_human_Unk-n1', 'RBPJ_6py8C_human_Unk-n2', 'TEAD1_3kysC_human'];
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-
group2tpl['Other'] = ['CuZnSuperoxideDismutase_1hl5C_human', 'ECadherin_4zt1A_human_n2', 'LaminAC_1ifrA_human', 'ORF7a_1xakA_virus'];
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group2tpl['Other Ig'] = ['CD19_6al5A_human-n1', 'CuZnSuperoxideDismutase_1hl5C_human', 'ECadherin_4zt1A_human_n2', 'LaminAC_1ifrA_human', 'ORF7a_1xakA_virus'];
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let tpl2strandsig = {};
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tpl2strandsig['ASF1A_2iijA_human'] = "A A' B C C' E F G G+";
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@@ -12902,33 +12902,33 @@ class SetDialog {
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tpl2strandsig['BArrestin1_4jqiA_rat_n1'] = "A- A A' B C C' E F G";
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tpl2strandsig['BTLA_2aw2A_human_Iset'] = "A A' B C C' D E F G";
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tpl2strandsig['C3_2qkiD_human_n1'] = "A A' B C C' E F G";
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tpl2strandsig['
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tpl2strandsig['CD19_6al5A_human-n1'] = "A' B C C' D E F G";
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tpl2strandsig['CD28_1yjdC_human_V'] = "A A' B C C' C'' D E F G";
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tpl2strandsig['CD2_1hnfA_human_C2-n2'] = "A B C C' E F G";
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tpl2strandsig['CD2_1hnfA_human_V-n1'] = "A' B C C' C'' D E F G";
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tpl2strandsig['
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tpl2strandsig['
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tpl2strandsig['
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tpl2strandsig['CD3d_6jxrd_human_C1'] = "A B C D E F G";
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tpl2strandsig['CD3e_6jxrf_human_C1'] = "A B C C' D E F G";
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tpl2strandsig['CD3g_6jxrg_human_C2'] = "A B C C' E F G G+";
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tpl2strandsig['CD8a_1cd8A_human_V'] = "A A' B C C' C'' D E F G";
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tpl2strandsig['CoAtomerGamma1_1r4xA_human'] = "A- A B C D E F G";
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12914
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tpl2strandsig['Contactin1_2ee2A_human_FN3-n9'] = "A A' B C C' E F G";
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12915
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tpl2strandsig['
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12915
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tpl2strandsig['Contactin1_3s97C_human_Iset-n2'] = "A A' B C D E F G";
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12916
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tpl2strandsig['CuZnSuperoxideDismutase_1hl5C_human'] = "A- A B C C' E F G";
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tpl2strandsig['ECadherin_4zt1A_human_n2'] = "A' B C D E F G";
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12918
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tpl2strandsig['Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4'] = "A--- A-- A- A B C C' C'' D E F G";
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12919
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tpl2strandsig['FAB-HEAVY_5esv_C1-n2'] = "A B C D E F G";
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tpl2strandsig['FAB-HEAVY_5esv_V-n1'] = "A B C C' C'' D E F G";
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12921
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tpl2strandsig['FAB-LIGHT_5esv_C1-n2'] = "A B C C' E F G";
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tpl2strandsig['FAB-LIGHT_5esv_C1-n2'] = "A B C C' D E F G";
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tpl2strandsig['FAB-LIGHT_5esv_V-n1'] = "A A' B C C' C'' D E F G";
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tpl2strandsig['
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tpl2strandsig['GHR_1axiB_human_C1-n1'] = "A B C C' D E F G";
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12924
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tpl2strandsig['ICOS_6x4gA_human_V'] = "A B C C' C'' D E F G";
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tpl2strandsig['IL6Rb_1bquB_human_FN3-n2'] = "A B C C' E F G";
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tpl2strandsig['IL6Rb_1bquB_human_FN3-n3'] = "A B C C' E F G";
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tpl2strandsig['InsulinR_8guyE_human_FN3-n1'] = "A B C C' E F G";
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tpl2strandsig['InsulinR_8guyE_human_FN3-n2'] = "A B C C' E F G";
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tpl2strandsig['IsdA_2iteA_bacteria'] = "A- A B C C' D E F G";
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tpl2strandsig['
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tpl2strandsig['
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tpl2strandsig['JAM1_1nbqA_human_Iset-n2'] = "A A' B C C' D E F G";
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12931
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tpl2strandsig['LAG3_7tzgD_human_C1-n2'] = "A A' B C C' D E F G";
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tpl2strandsig['LAG3_7tzgD_human_V-n1'] = "A' B C C' D E F G";
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tpl2strandsig['LaminAC_1ifrA_human'] = "A- A B C C' E E+ F G";
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tpl2strandsig['MHCIa_7phrH_human_C1'] = "A B C C' D E F G";
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@@ -12942,16 +12942,16 @@ class SetDialog {
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tpl2strandsig['RBPJ_6py8C_human_Unk-n1'] = "A A' B C C' E F G";
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tpl2strandsig['RBPJ_6py8C_human_Unk-n2'] = "A B C D E F G";
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tpl2strandsig['Sidekick2_1wf5A_human_FN3-n7'] = "A B C C' E F G";
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tpl2strandsig['
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tpl2strandsig['Siglec3_5j0bB_human_C1-n2'] = "A A' B C D E F G";
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tpl2strandsig['TCRa_6jxrm_human_C1-n2'] = "A B C D E F G";
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tpl2strandsig['TCRa_6jxrm_human_V-n1'] = "A A' B C C' C'' D E F G";
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tpl2strandsig['TEAD1_3kysC_human'] = "A A+ A' B C C' E F G G+";
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tpl2strandsig['TP34_2o6cA_bacteria'] = "A- A B C C' D E F G";
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tpl2strandsig['TP47_1o75A_bacteria'] = "A B C C' D E F G";
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tpl2strandsig['
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tpl2strandsig['Titin_4uowM_human_Iset-n152'] = "A A' B C C' D E F G";
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tpl2strandsig['VISTA_6oilA_human_V'] = "A A' B C C' C'' D E F G G+";
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tpl2strandsig['VNAR_1t6vN_shark_V'] = "A A' B C C' D E F G";
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12954
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tpl2strandsig['
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tpl2strandsig['VTCN1_Q7Z7D3_human_C1-n2'] = "A B C C' D E F G G+";
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let html = '';
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for(let group in group2tpl) {
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@@ -38894,7 +38894,7 @@ class AnnoIg {
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// titleArray.push(igType + confidance + ' (TM:' + parseFloat(tmscore).toFixed(2) + ')');
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// fullTitleArray.push(igType + confidance + ' (TM:' + parseFloat(tmscore).toFixed(2) + '), template: ' + info.refpdbname + ', Seq. identity: ' + parseFloat(info.seqid).toFixed(2) + ', aligned residues: ' + info.nresAlign);
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let igType = (parseFloat(tmscore) <
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let igType = (parseFloat(tmscore) < ic.refnumCls.TMThreshold ) ? 'Ig' : ic.ref2igtype[info.refpdbname];
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titleArray.push(igType + ' (TM:' + parseFloat(tmscore).toFixed(2) + ')');
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fullTitleArray.push(igType + ' (TM:' + parseFloat(tmscore).toFixed(2) + '), template: ' + info.refpdbname + ', Seq. identity: ' + parseFloat(info.seqid).toFixed(2) + ', aligned residues: ' + info.nresAlign);
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38900
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@@ -66729,6 +66729,8 @@ class Dssp {
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class Refnum {
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constructor(icn3d) {
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this.icn3d = icn3d;
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this.TMThreshold = 0.85;
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this.topClusters = 5;
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}
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async hideIgRefNum() { let ic = this.icn3d; ic.icn3dui;
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@@ -66763,7 +66765,7 @@ class Dssp {
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setRefPdbs() { let ic = this.icn3d; ic.icn3dui;
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// round 1, 16 templates
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66766
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ic.refpdbArray = ['1InsulinR_8guyE_human_FN3-n1', '1Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4', '1CoAtomerGamma1_1r4xA_human', '1C3_2qkiD_human_n1', '1CuZnSuperoxideDismutase_1hl5C_human', '1ASF1A_2iijA_human', '1FAB-LIGHT_5esv_C1-n2', '1CD2_1hnfA_human_C2-n2', '1NaCaExchanger_2fwuA_dog_n2', '1NaKATPaseTransporterBeta_2zxeB_spurdogshark', '1FAB-HEAVY_5esv_V-n1', '1PDL1_4z18B_human_V-n1', '1BTLA_2aw2A_human_Iset', '1LaminAC_1ifrA_human', '
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66768
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ic.refpdbArray = ['1InsulinR_8guyE_human_FN3-n1', '1Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4', '1CoAtomerGamma1_1r4xA_human', '1C3_2qkiD_human_n1', '1CuZnSuperoxideDismutase_1hl5C_human', '1ASF1A_2iijA_human', '1FAB-LIGHT_5esv_C1-n2', '1CD2_1hnfA_human_C2-n2', '1NaCaExchanger_2fwuA_dog_n2', '1NaKATPaseTransporterBeta_2zxeB_spurdogshark', '1FAB-HEAVY_5esv_V-n1', '1PDL1_4z18B_human_V-n1', '1BTLA_2aw2A_human_Iset', '1LaminAC_1ifrA_human', '1CD3g_6jxrg_human_C2', '1CD28_1yjdC_human_V', '1CD19_6al5A_human-n1'];
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// round 2
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ic.refpdbHash = {};
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@@ -66773,19 +66775,19 @@ class Dssp {
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ic.refpdbHash['1C3_2qkiD_human_n1'] = ['C3_2qkiD_human_n1', 'BArrestin1_4jqiA_rat_n1', 'RBPJ_6py8C_human_Unk-n1'];
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ic.refpdbHash['1CuZnSuperoxideDismutase_1hl5C_human'] = ['CuZnSuperoxideDismutase_1hl5C_human', 'TEAD1_3kysC_human'];
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66777
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ic.refpdbHash['1ASF1A_2iijA_human'] = ['ASF1A_2iijA_human', 'RBPJ_6py8C_human_Unk-n2', 'TP47_1o75A_bacteria'];
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66776
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ic.refpdbHash['1FAB-LIGHT_5esv_C1-n2'] = ['FAB-LIGHT_5esv_C1-n2', '
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ic.refpdbHash['1CD2_1hnfA_human_C2-n2'] = ['CD2_1hnfA_human_C2-n2', '
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66778
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ic.refpdbHash['1FAB-LIGHT_5esv_C1-n2'] = ['FAB-LIGHT_5esv_C1-n2', 'GHR_1axiB_human_C1-n1', 'VTCN1_Q7Z7D3_human_C1-n2', 'B2Microglobulin_7phrL_human_C1', 'FAB-HEAVY_5esv_C1-n2', 'MHCIa_7phrH_human_C1'];
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66779
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+
ic.refpdbHash['1CD2_1hnfA_human_C2-n2'] = ['CD2_1hnfA_human_C2-n2', 'Siglec3_5j0bB_human_C1-n2'];
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66778
66780
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ic.refpdbHash['1NaCaExchanger_2fwuA_dog_n2'] = ['NaCaExchanger_2fwuA_dog_n2', 'ORF7a_1xakA_virus', 'ECadherin_4zt1A_human_n2'];
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66779
66781
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ic.refpdbHash['1NaKATPaseTransporterBeta_2zxeB_spurdogshark'] = ['NaKATPaseTransporterBeta_2zxeB_spurdogshark'];
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66780
66782
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ic.refpdbHash['1FAB-HEAVY_5esv_V-n1'] = ['FAB-HEAVY_5esv_V-n1', 'FAB-LIGHT_5esv_V-n1', 'VNAR_1t6vN_shark_V', 'TCRa_6jxrm_human_V-n1', 'VISTA_6oilA_human_V', 'CD8a_1cd8A_human_V', 'PD1_4zqkB_human_V'];
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66781
66783
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ic.refpdbHash['1PDL1_4z18B_human_V-n1'] = ['PDL1_4z18B_human_V-n1', 'CD2_1hnfA_human_V-n1', 'LAG3_7tzgD_human_V-n1'];
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66782
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-
ic.refpdbHash['1BTLA_2aw2A_human_Iset'] = ['BTLA_2aw2A_human_Iset', 'Palladin_2dm3A_human_Iset-n1', '
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66783
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ic.refpdbHash['1LaminAC_1ifrA_human'] = ['LaminAC_1ifrA_human', '
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66784
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ic.refpdbHash['
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66785
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-
ic.refpdbHash['1CD28_1yjdC_human_V'] = ['CD28_1yjdC_human_V', 'MPT63_1lmiA_bacteria', '
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66786
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-
ic.refpdbHash['
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66784
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+
ic.refpdbHash['1BTLA_2aw2A_human_Iset'] = ['BTLA_2aw2A_human_Iset', 'Palladin_2dm3A_human_Iset-n1', 'Titin_4uowM_human_Iset-n152', 'LAG3_7tzgD_human_C1-n2', 'JAM1_1nbqA_human_Iset-n2', 'Contactin1_3s97C_human_Iset-n2'];
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66785
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+
ic.refpdbHash['1LaminAC_1ifrA_human'] = ['LaminAC_1ifrA_human', 'CD3d_6jxrd_human_C1'];
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66786
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+
ic.refpdbHash['1CD3g_6jxrg_human_C2'] = ['CD3g_6jxrg_human_C2', 'TCRa_6jxrm_human_C1-n2', 'IsdA_2iteA_bacteria'];
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66787
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+
ic.refpdbHash['1CD28_1yjdC_human_V'] = ['CD28_1yjdC_human_V', 'MPT63_1lmiA_bacteria', 'CD3e_6jxrf_human_C1'];
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66788
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+
ic.refpdbHash['1CD19_6al5A_human-n1'] = ['CD19_6al5A_human-n1'];
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66787
66789
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66788
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ic.refpdbHash['all_templates'] = ['ASF1A_2iijA_human', 'B2Microglobulin_7phrL_human_C1', 'BArrestin1_4jqiA_rat_n1', 'BTLA_2aw2A_human_Iset', 'C3_2qkiD_human_n1', '
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66790
|
+
ic.refpdbHash['all_templates'] = ['ASF1A_2iijA_human', 'B2Microglobulin_7phrL_human_C1', 'BArrestin1_4jqiA_rat_n1', 'BTLA_2aw2A_human_Iset', 'C3_2qkiD_human_n1', 'CD19_6al5A_human-n1', 'CD28_1yjdC_human_V', 'CD2_1hnfA_human_C2-n2', 'CD2_1hnfA_human_V-n1', 'CD3d_6jxrd_human_C1', 'CD3e_6jxrf_human_C1', 'CD3g_6jxrg_human_C2', 'CD8a_1cd8A_human_V', 'CoAtomerGamma1_1r4xA_human', 'Contactin1_2ee2A_human_FN3-n9', 'Contactin1_3s97C_human_Iset-n2', 'CuZnSuperoxideDismutase_1hl5C_human', 'ECadherin_4zt1A_human_n2', 'Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4', 'FAB-HEAVY_5esv_C1-n2', 'FAB-HEAVY_5esv_V-n1', 'FAB-LIGHT_5esv_C1-n2', 'FAB-LIGHT_5esv_V-n1', 'GHR_1axiB_human_C1-n1', 'ICOS_6x4gA_human_V', 'IL6Rb_1bquB_human_FN3-n2', 'IL6Rb_1bquB_human_FN3-n3', 'InsulinR_8guyE_human_FN3-n1', 'InsulinR_8guyE_human_FN3-n2', 'IsdA_2iteA_bacteria', 'JAM1_1nbqA_human_Iset-n2', 'LAG3_7tzgD_human_C1-n2', 'LAG3_7tzgD_human_V-n1', 'LaminAC_1ifrA_human', 'MHCIa_7phrH_human_C1', 'MPT63_1lmiA_bacteria', 'NaCaExchanger_2fwuA_dog_n2', 'NaKATPaseTransporterBeta_2zxeB_spurdogshark', 'ORF7a_1xakA_virus', 'PD1_4zqkB_human_V', 'PDL1_4z18B_human_V-n1', 'Palladin_2dm3A_human_Iset-n1', 'RBPJ_6py8C_human_Unk-n1', 'RBPJ_6py8C_human_Unk-n2', 'Sidekick2_1wf5A_human_FN3-n7', 'Siglec3_5j0bB_human_C1-n2', 'TCRa_6jxrm_human_C1-n2', 'TCRa_6jxrm_human_V-n1', 'TEAD1_3kysC_human', 'TP34_2o6cA_bacteria', 'TP47_1o75A_bacteria', 'Titin_4uowM_human_Iset-n152', 'VISTA_6oilA_human_V', 'VNAR_1t6vN_shark_V', 'VTCN1_Q7Z7D3_human_C1-n2'];
|
|
66789
66791
|
|
|
66790
66792
|
// use known ref structure
|
|
66791
66793
|
ic.refpdbHash['5ESV_C'] = ['FAB-HEAVY_5esv_V-n1', 'FAB-HEAVY_5esv_C1-n2'];
|
|
@@ -66793,7 +66795,7 @@ class Dssp {
|
|
|
66793
66795
|
ic.refpdbHash['8GUY_E'] = ['InsulinR_8guyE_human_FN3-n1', 'InsulinR_8guyE_human_FN3-n2'];
|
|
66794
66796
|
ic.refpdbHash['6JXR_m'] = ['TCRa_6jxrm_human_V-n1', 'TCRa_6jxrm_human_C1-n2'];
|
|
66795
66797
|
ic.refpdbHash['1HNF_A'] = ['CD2_1hnfA_human_V-n1', 'CD2_1hnfA_human_C2-n2'];
|
|
66796
|
-
ic.refpdbHash['7TZG_D'] = ['LAG3_7tzgD_human_V-n1', '
|
|
66798
|
+
ic.refpdbHash['7TZG_D'] = ['LAG3_7tzgD_human_V-n1', 'LAG3_7tzgD_human_C1-n2'];
|
|
66797
66799
|
ic.refpdbHash['6PY8_C'] = ['RBPJ_6py8C_human_Unk-n1', 'RBPJ_6py8C_human_Unk-n2'];
|
|
66798
66800
|
ic.refpdbHash['1BQU_B'] = ['IL6Rb_1bquB_human_FN3-n2', 'IL6Rb_1bquB_human_FN3-n3'];
|
|
66799
66801
|
|
|
@@ -66803,7 +66805,7 @@ class Dssp {
|
|
|
66803
66805
|
ic.refpdbHash['1I8A_A'] = ['Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4'];
|
|
66804
66806
|
ic.refpdbHash['2FWU_A'] = ['NaCaExchanger_2fwuA_dog_n2'];
|
|
66805
66807
|
ic.refpdbHash['4JQI_A'] = ['BArrestin1_4jqiA_rat_n1'];
|
|
66806
|
-
ic.refpdbHash['1NBQ_A'] = ['
|
|
66808
|
+
ic.refpdbHash['1NBQ_A'] = ['JAM1_1nbqA_human_Iset-n2'];
|
|
66807
66809
|
ic.refpdbHash['1O75_A'] = ['TP47_1o75A_bacteria'];
|
|
66808
66810
|
ic.refpdbHash['7PHR_H'] = ['MHCIa_7phrH_human_C1'];
|
|
66809
66811
|
ic.refpdbHash['2IIJ_A'] = ['ASF1A_2iijA_human'];
|
|
@@ -66815,9 +66817,9 @@ class Dssp {
|
|
|
66815
66817
|
ic.refpdbHash['2AW2_A'] = ['BTLA_2aw2A_human_Iset'];
|
|
66816
66818
|
ic.refpdbHash['1HL5_C'] = ['CuZnSuperoxideDismutase_1hl5C_human'];
|
|
66817
66819
|
ic.refpdbHash['1WF5_A'] = ['Sidekick2_1wf5A_human_FN3-n7'];
|
|
66818
|
-
ic.refpdbHash['5J0B_B'] = ['
|
|
66820
|
+
ic.refpdbHash['5J0B_B'] = ['Siglec3_5j0bB_human_C1-n2'];
|
|
66819
66821
|
ic.refpdbHash['1IFR_A'] = ['LaminAC_1ifrA_human'];
|
|
66820
|
-
ic.refpdbHash['Q7Z7D3_A'] = ['
|
|
66822
|
+
ic.refpdbHash['Q7Z7D3_A'] = ['VTCN1_Q7Z7D3_human_C1-n2'];
|
|
66821
66823
|
ic.refpdbHash['4ZQK_B'] = ['PD1_4zqkB_human_V'];
|
|
66822
66824
|
ic.refpdbHash['2DM3_A'] = ['Palladin_2dm3A_human_Iset-n1'];
|
|
66823
66825
|
ic.refpdbHash['2ITE_A'] = ['IsdA_2iteA_bacteria'];
|
|
@@ -66825,17 +66827,17 @@ class Dssp {
|
|
|
66825
66827
|
ic.refpdbHash['4ZT1_A'] = ['ECadherin_4zt1A_human_n2'];
|
|
66826
66828
|
ic.refpdbHash['1LMI_A'] = ['MPT63_1lmiA_bacteria'];
|
|
66827
66829
|
ic.refpdbHash['1CD8_A'] = ['CD8a_1cd8A_human_V'];
|
|
66828
|
-
ic.refpdbHash['3S97_C'] = ['
|
|
66829
|
-
ic.refpdbHash['1AXI_B'] = ['
|
|
66830
|
+
ic.refpdbHash['3S97_C'] = ['Contactin1_3s97C_human_Iset-n2'];
|
|
66831
|
+
ic.refpdbHash['1AXI_B'] = ['GHR_1axiB_human_C1-n1'];
|
|
66830
66832
|
ic.refpdbHash['6X4G_A'] = ['ICOS_6x4gA_human_V'];
|
|
66831
66833
|
ic.refpdbHash['2EE2_A'] = ['Contactin1_2ee2A_human_FN3-n9'];
|
|
66832
|
-
ic.refpdbHash['4UOW_M'] = ['
|
|
66833
|
-
ic.refpdbHash['6A15_A'] = ['
|
|
66834
|
+
ic.refpdbHash['4UOW_M'] = ['Titin_4uowM_human_Iset-n152'];
|
|
66835
|
+
ic.refpdbHash['6A15_A'] = ['CD19_6al5A_human-n1'];
|
|
66834
66836
|
ic.refpdbHash['2QKI_D'] = ['C3_2qkiD_human_n1'];
|
|
66835
66837
|
ic.refpdbHash['1YJD_C'] = ['CD28_1yjdC_human_V'];
|
|
66836
|
-
ic.refpdbHash['6JXR_d'] = ['
|
|
66837
|
-
ic.refpdbHash['6JXR_f'] = ['
|
|
66838
|
-
ic.refpdbHash['6JXR_g'] = ['
|
|
66838
|
+
ic.refpdbHash['6JXR_d'] = ['CD3d_6jxrd_human_C1'];
|
|
66839
|
+
ic.refpdbHash['6JXR_f'] = ['CD3e_6jxrf_human_C1'];
|
|
66840
|
+
ic.refpdbHash['6JXR_g'] = ['CD3g_6jxrg_human_C2'];
|
|
66839
66841
|
|
|
66840
66842
|
// assign Ig types
|
|
66841
66843
|
ic.ref2igtype = {};
|
|
@@ -66845,17 +66847,17 @@ class Dssp {
|
|
|
66845
66847
|
ic.ref2igtype['BArrestin1_4jqiA_rat_n1'] = 'IgFN3-like';
|
|
66846
66848
|
ic.ref2igtype['BTLA_2aw2A_human_Iset'] = 'IgI';
|
|
66847
66849
|
ic.ref2igtype['C3_2qkiD_human_n1'] = 'IgFN3-like';
|
|
66848
|
-
ic.ref2igtype['
|
|
66850
|
+
ic.ref2igtype['CD19_6al5A_human-n1'] = 'CD19';
|
|
66849
66851
|
ic.ref2igtype['CD28_1yjdC_human_V'] = 'IgV';
|
|
66850
66852
|
ic.ref2igtype['CD2_1hnfA_human_C2-n2'] = 'IgC2';
|
|
66851
66853
|
ic.ref2igtype['CD2_1hnfA_human_V-n1'] = 'IgV';
|
|
66852
|
-
ic.ref2igtype['
|
|
66853
|
-
ic.ref2igtype['
|
|
66854
|
-
ic.ref2igtype['
|
|
66854
|
+
ic.ref2igtype['CD3d_6jxrd_human_C1'] = 'IgI';
|
|
66855
|
+
ic.ref2igtype['CD3e_6jxrf_human_C1'] = 'IgI';
|
|
66856
|
+
ic.ref2igtype['CD3g_6jxrg_human_C2'] = 'IgI';
|
|
66855
66857
|
ic.ref2igtype['CD8a_1cd8A_human_V'] = 'IgV';
|
|
66856
66858
|
ic.ref2igtype['CoAtomerGamma1_1r4xA_human'] = 'IgE';
|
|
66857
66859
|
ic.ref2igtype['Contactin1_2ee2A_human_FN3-n9'] = 'IgFN3';
|
|
66858
|
-
ic.ref2igtype['
|
|
66860
|
+
ic.ref2igtype['Contactin1_3s97C_human_Iset-n2'] = 'IgC2';
|
|
66859
66861
|
ic.ref2igtype['CuZnSuperoxideDismutase_1hl5C_human'] = 'SOD';
|
|
66860
66862
|
ic.ref2igtype['ECadherin_4zt1A_human_n2'] = 'Cadherin';
|
|
66861
66863
|
ic.ref2igtype['Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4'] = 'IgE';
|
|
@@ -66863,15 +66865,15 @@ class Dssp {
|
|
|
66863
66865
|
ic.ref2igtype['FAB-HEAVY_5esv_V-n1'] = 'IgV';
|
|
66864
66866
|
ic.ref2igtype['FAB-LIGHT_5esv_C1-n2'] = 'IgC1';
|
|
66865
66867
|
ic.ref2igtype['FAB-LIGHT_5esv_V-n1'] = 'IgV';
|
|
66866
|
-
ic.ref2igtype['
|
|
66868
|
+
ic.ref2igtype['GHR_1axiB_human_C1-n1'] = 'IgFN3';
|
|
66867
66869
|
ic.ref2igtype['ICOS_6x4gA_human_V'] = 'IgV';
|
|
66868
66870
|
ic.ref2igtype['IL6Rb_1bquB_human_FN3-n2'] = 'IgFN3';
|
|
66869
66871
|
ic.ref2igtype['IL6Rb_1bquB_human_FN3-n3'] = 'IgFN3';
|
|
66870
66872
|
ic.ref2igtype['InsulinR_8guyE_human_FN3-n1'] = 'IgFN3';
|
|
66871
66873
|
ic.ref2igtype['InsulinR_8guyE_human_FN3-n2'] = 'IgFN3';
|
|
66872
66874
|
ic.ref2igtype['IsdA_2iteA_bacteria'] = 'IgE';
|
|
66873
|
-
ic.ref2igtype['
|
|
66874
|
-
ic.ref2igtype['
|
|
66875
|
+
ic.ref2igtype['JAM1_1nbqA_human_Iset-n2'] = 'IgI';
|
|
66876
|
+
ic.ref2igtype['LAG3_7tzgD_human_C1-n2'] = 'IgC2';
|
|
66875
66877
|
ic.ref2igtype['LAG3_7tzgD_human_V-n1'] = 'IgV';
|
|
66876
66878
|
ic.ref2igtype['LaminAC_1ifrA_human'] = 'Lamin';
|
|
66877
66879
|
ic.ref2igtype['MHCIa_7phrH_human_C1'] = 'IgC1';
|
|
@@ -66885,16 +66887,16 @@ class Dssp {
|
|
|
66885
66887
|
ic.ref2igtype['RBPJ_6py8C_human_Unk-n1'] = 'IgFN3-like';
|
|
66886
66888
|
ic.ref2igtype['RBPJ_6py8C_human_Unk-n2'] = 'IgFN3-like';
|
|
66887
66889
|
ic.ref2igtype['Sidekick2_1wf5A_human_FN3-n7'] = 'IgFN3';
|
|
66888
|
-
ic.ref2igtype['
|
|
66890
|
+
ic.ref2igtype['Siglec3_5j0bB_human_C1-n2'] = 'IgC2';
|
|
66889
66891
|
ic.ref2igtype['TCRa_6jxrm_human_C1-n2'] = 'IgC1';
|
|
66890
66892
|
ic.ref2igtype['TCRa_6jxrm_human_V-n1'] = 'IgV';
|
|
66891
66893
|
ic.ref2igtype['TEAD1_3kysC_human'] = 'IgE';
|
|
66892
66894
|
ic.ref2igtype['TP34_2o6cA_bacteria'] = 'IgE';
|
|
66893
66895
|
ic.ref2igtype['TP47_1o75A_bacteria'] = 'IgE';
|
|
66894
|
-
ic.ref2igtype['
|
|
66896
|
+
ic.ref2igtype['Titin_4uowM_human_Iset-n152'] = 'IgI';
|
|
66895
66897
|
ic.ref2igtype['VISTA_6oilA_human_V'] = 'IgV';
|
|
66896
66898
|
ic.ref2igtype['VNAR_1t6vN_shark_V'] = 'IgV';
|
|
66897
|
-
ic.ref2igtype['
|
|
66899
|
+
ic.ref2igtype['VTCN1_Q7Z7D3_human_C1-n2'] = 'IgV';
|
|
66898
66900
|
}
|
|
66899
66901
|
|
|
66900
66902
|
getPdbAjaxArray() { let ic = this.icn3d, me = ic.icn3dui;
|
|
@@ -67309,17 +67311,20 @@ class Dssp {
|
|
|
67309
67311
|
if(bBstrand && bCstrand && bEstrand && bFstrand) break;
|
|
67310
67312
|
}
|
|
67311
67313
|
|
|
67312
|
-
if(
|
|
67313
|
-
|
|
67314
|
-
if(!
|
|
67315
|
-
|
|
67316
|
-
|
|
67317
|
-
|
|
67318
|
-
|
|
67319
|
-
|
|
67314
|
+
// if(refpdbname != 'CD19_6al5A_human-n1') { // relax for CD19
|
|
67315
|
+
if(!(bBstrand && bCstrand && bEstrand && bFstrand) || !(bBSheet && bCSheet && bESheet && bFSheet)) {
|
|
67316
|
+
// if(!(bBstrand && bCstrand && bEstrand && bFstrand)) {
|
|
67317
|
+
if(!me.bNode && !(bBstrand && bCstrand && bEstrand && bFstrand)) console.log("Some of the Ig strands B, C, E, F are missing in the domain " + domainid + "...");
|
|
67318
|
+
if(!me.bNode && !(bBSheet && bCSheet && bESheet && bFSheet)) console.log("Some of the Ig strands B, C, E, F are not beta sheets...");
|
|
67319
|
+
// if(!me.bNode && (BCnt < 3 || CCnt < 3 || ECnt < 3 || FCnt < 3)) console.log("Some of the Ig strands B, C, E, F are missing in the domain " + domainid + "...");
|
|
67320
|
+
if(ic.domainid2refpdbname[domainid][0] == refpdbname) {
|
|
67321
|
+
delete ic.domainid2refpdbname[domainid];
|
|
67322
|
+
delete ic.domainid2score[domainid];
|
|
67323
|
+
}
|
|
67324
|
+
continue;
|
|
67320
67325
|
}
|
|
67321
|
-
|
|
67322
|
-
|
|
67326
|
+
// }
|
|
67327
|
+
|
|
67323
67328
|
}
|
|
67324
67329
|
|
|
67325
67330
|
if(!bRound1) {
|
|
@@ -67348,7 +67353,8 @@ class Dssp {
|
|
|
67348
67353
|
ic.domainid2score[domainid] = queryData[0].score + '_' + queryData[0].frac_identical + '_' + queryData[0].num_res ;
|
|
67349
67354
|
|
|
67350
67355
|
if(bRound1) {
|
|
67351
|
-
ic.domainid2refpdbname[domainid] = score > 0.75 ? [refpdbname] : ['all_templates'];
|
|
67356
|
+
// ic.domainid2refpdbname[domainid] = score > 0.75 ? [refpdbname] : ['all_templates'];
|
|
67357
|
+
ic.domainid2refpdbname[domainid] = score >= this.TMThreshold ? [refpdbname] : ['all_templates'];
|
|
67352
67358
|
}
|
|
67353
67359
|
else {
|
|
67354
67360
|
ic.domainid2refpdbname[domainid] = [refpdbname];
|
|
@@ -67367,7 +67373,7 @@ class Dssp {
|
|
|
67367
67373
|
}
|
|
67368
67374
|
}
|
|
67369
67375
|
|
|
67370
|
-
// combine the top
|
|
67376
|
+
// combine the top clusters for the 2nd round alignment
|
|
67371
67377
|
if(bRound1) {
|
|
67372
67378
|
for(let domainid in domainid2refpdbnamelist) {
|
|
67373
67379
|
if(!me.bNode && ic.domainid2refpdbname[domainid][0] == 'all_templates') {
|
|
@@ -67376,8 +67382,8 @@ class Dssp {
|
|
|
67376
67382
|
refpdbnameList.sort(function(a, b) {
|
|
67377
67383
|
return refpdbname2score[b] - refpdbname2score[a]
|
|
67378
67384
|
});
|
|
67379
|
-
// top
|
|
67380
|
-
ic.domainid2refpdbname[domainid] = refpdbnameList.slice(0,
|
|
67385
|
+
// top templates
|
|
67386
|
+
ic.domainid2refpdbname[domainid] = refpdbnameList.slice(0, this.topClusters);
|
|
67381
67387
|
}
|
|
67382
67388
|
}
|
|
67383
67389
|
}
|
|
@@ -67609,13 +67615,13 @@ class Dssp {
|
|
|
67609
67615
|
|
|
67610
67616
|
let currStrand;
|
|
67611
67617
|
|
|
67612
|
-
// let bCd19 = refpdbnameArray.length == 1 && refpdbnameArray[0] == '
|
|
67618
|
+
// let bCd19 = refpdbnameArray.length == 1 && refpdbnameArray[0] == 'CD19_6al5A_human-n1';
|
|
67613
67619
|
for(let i = 0, il = segArray.length; i < il; ++i) {
|
|
67614
67620
|
let seg = segArray[i];
|
|
67615
67621
|
if(!seg) continue;
|
|
67616
67622
|
|
|
67617
|
-
|
|
67618
|
-
parseInt(seg.q_start);
|
|
67623
|
+
seg.q_start;
|
|
67624
|
+
let qStartInt = parseInt(seg.q_start);
|
|
67619
67625
|
if(isNaN(seg.q_start)) seg.q_start.substr(seg.q_start.length - 1, 1);
|
|
67620
67626
|
|
|
67621
67627
|
// one item in "seq"
|
|
@@ -67628,7 +67634,8 @@ class Dssp {
|
|
|
67628
67634
|
let resid = chainid + '_' + seg.t_start;
|
|
67629
67635
|
//let refnum = qStartInt.toString() + postfix;
|
|
67630
67636
|
//let refnum = qStart + postfix;
|
|
67631
|
-
let refnum = qStart;
|
|
67637
|
+
//let refnum = qStart;
|
|
67638
|
+
let refnum = qStartInt;
|
|
67632
67639
|
|
|
67633
67640
|
let refnumLabel = this.getLabelFromRefnum(refnum);
|
|
67634
67641
|
currStrand = (refnumLabel) ? refnumLabel.replace(new RegExp(refnum,'g'), '') : undefined;
|
|
@@ -68043,7 +68050,7 @@ class Dssp {
|
|
|
68043
68050
|
if(!ic.chainid2refpdbname[chnid]) return false;
|
|
68044
68051
|
|
|
68045
68052
|
// auto-generate ref numbers for loops
|
|
68046
|
-
let currStrand = '', prevStrand = '';
|
|
68053
|
+
let currStrand = '', prevStrand = '', prevValidStrand = '';
|
|
68047
68054
|
let refnumLabel, refnumStr_ori, refnumStr, postfix, strandPostfix, refnum, refnum3c, refnum2c;
|
|
68048
68055
|
let bExtendedStrand = false, bSecThird9 = false;
|
|
68049
68056
|
|
|
@@ -68107,7 +68114,8 @@ class Dssp {
|
|
|
68107
68114
|
if(!bSecThird9 || (bExtendedStrand && !bSecThird9)) {
|
|
68108
68115
|
let lastTwo = parseInt(refnum.toString().substr(refnum.toString().length - 2, 2));
|
|
68109
68116
|
|
|
68110
|
-
|
|
68117
|
+
// reset currCnt
|
|
68118
|
+
if(currStrand != prevStrand && currStrand != prevValidStrand) { // sometimes the same resid appear several times, e.g, 7M7B_H_135
|
|
68111
68119
|
bFoundAnchor = false;
|
|
68112
68120
|
|
|
68113
68121
|
if(strandHash[currStrand + postfix]) {
|
|
@@ -68209,6 +68217,8 @@ class Dssp {
|
|
|
68209
68217
|
}
|
|
68210
68218
|
}
|
|
68211
68219
|
}
|
|
68220
|
+
|
|
68221
|
+
prevValidStrand = currStrand;
|
|
68212
68222
|
}
|
|
68213
68223
|
}
|
|
68214
68224
|
|
|
@@ -68296,6 +68306,7 @@ class Dssp {
|
|
|
68296
68306
|
for(let il = strandArray.length, i = il - 1; i >= 0; --i) {
|
|
68297
68307
|
// let strandTmp = strandArray[i].strand.substr(0, 1);
|
|
68298
68308
|
let strandTmp = strandArray[i].strand;
|
|
68309
|
+
|
|
68299
68310
|
if(strandTmp != 'G' && strandArray[i].endRefnum - strandArray[i].startRefnum + 1 < 3) { // remove the strand
|
|
68300
68311
|
if(i != il - 1) { // modify
|
|
68301
68312
|
strandArray[i + 1].loopResCnt += strandArray[i].loopResCnt + parseInt(strandArray[i].endResi) - parseInt(strandArray[i].startResi) + 1;
|
|
@@ -68312,7 +68323,7 @@ class Dssp {
|
|
|
68312
68323
|
let domainid = ic.resid2domainid[resid];
|
|
68313
68324
|
removeDomainidHash[domainid] = 1;
|
|
68314
68325
|
continue;
|
|
68315
|
-
}
|
|
68326
|
+
}
|
|
68316
68327
|
}
|
|
68317
68328
|
}
|
|
68318
68329
|
|
|
@@ -68429,10 +68440,12 @@ class Dssp {
|
|
|
68429
68440
|
let halfLen = parseInt(len / 2.0 + 0.5);
|
|
68430
68441
|
|
|
68431
68442
|
if(loopCnt <= halfLen) {
|
|
68432
|
-
|
|
68433
|
-
|
|
68434
|
-
|
|
68435
|
-
|
|
68443
|
+
if(strandArray[prevStrandCnt]) {
|
|
68444
|
+
currRefnum = strandArray[prevStrandCnt].endRefnum + loopCnt;
|
|
68445
|
+
refnumLabelNoPostfix = strandArray[prevStrandCnt].strand + currRefnum;
|
|
68446
|
+
refnumLabel = refnumLabelNoPostfix + strandArray[prevStrandCnt].strandPostfix;
|
|
68447
|
+
domainid = strandArray[prevStrandCnt].domainid;
|
|
68448
|
+
}
|
|
68436
68449
|
}
|
|
68437
68450
|
else {
|
|
68438
68451
|
currRefnum = strandArray[strandCnt].startRefnum - len + loopCnt - 1;
|