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.js
CHANGED
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@@ -11983,17 +11983,17 @@ class SetDialog {
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11983
11983
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11984
11984
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setTemplateMenu() { let me = this.icn3dui; me.icn3d;
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11985
11985
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let group2tpl = {};
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11986
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group2tpl['
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11987
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group2tpl['
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11988
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group2tpl['
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11989
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group2tpl['
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11990
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group2tpl['
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11986
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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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11987
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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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11988
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group2tpl['IgC2'] = ['CD2_1hnfA_human_C2-n2', 'CD3g_6jxrg_human_C2'];
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11989
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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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11990
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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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11991
11991
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11992
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-
group2tpl['
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11992
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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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11993
11993
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11994
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-
group2tpl['
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11994
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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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11996
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group2tpl['Other'] = ['CuZnSuperoxideDismutase_1hl5C_human', 'ECadherin_4zt1A_human_n2', 'LaminAC_1ifrA_human', 'ORF7a_1xakA_virus'];
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11996
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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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11997
11997
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11998
11998
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let tpl2strandsig = {};
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11999
11999
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tpl2strandsig['ASF1A_2iijA_human'] = "A A' B C C' E F G G+";
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@@ -12001,33 +12001,33 @@ class SetDialog {
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12001
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tpl2strandsig['BArrestin1_4jqiA_rat_n1'] = "A- A A' B C C' E F G";
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12002
12002
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tpl2strandsig['BTLA_2aw2A_human_Iset'] = "A A' B C C' D E F G";
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12003
12003
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tpl2strandsig['C3_2qkiD_human_n1'] = "A A' B C C' E F G";
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12004
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tpl2strandsig['
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12004
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tpl2strandsig['CD19_6al5A_human-n1'] = "A' B C C' D E F G";
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12005
12005
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tpl2strandsig['CD28_1yjdC_human_V'] = "A A' B C C' C'' D E F G";
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12006
12006
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tpl2strandsig['CD2_1hnfA_human_C2-n2'] = "A B C C' E F G";
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12007
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tpl2strandsig['CD2_1hnfA_human_V-n1'] = "A' B C C' C'' D E F G";
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12008
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tpl2strandsig['
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12009
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tpl2strandsig['
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12010
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tpl2strandsig['
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12008
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tpl2strandsig['CD3d_6jxrd_human_C1'] = "A B C D E F G";
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12009
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tpl2strandsig['CD3e_6jxrf_human_C1'] = "A B C C' D E F G";
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12010
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tpl2strandsig['CD3g_6jxrg_human_C2'] = "A B C C' E F G G+";
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12011
12011
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tpl2strandsig['CD8a_1cd8A_human_V'] = "A A' B C C' C'' D E F G";
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12012
12012
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tpl2strandsig['CoAtomerGamma1_1r4xA_human'] = "A- A B C D E F G";
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12013
12013
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tpl2strandsig['Contactin1_2ee2A_human_FN3-n9'] = "A A' B C C' E F G";
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12014
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tpl2strandsig['
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12014
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tpl2strandsig['Contactin1_3s97C_human_Iset-n2'] = "A A' B C D E F G";
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12015
12015
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tpl2strandsig['CuZnSuperoxideDismutase_1hl5C_human'] = "A- A B C C' E F G";
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12016
12016
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tpl2strandsig['ECadherin_4zt1A_human_n2'] = "A' B C D E F G";
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12017
12017
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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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12018
12018
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tpl2strandsig['FAB-HEAVY_5esv_C1-n2'] = "A B C D E F G";
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12019
12019
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tpl2strandsig['FAB-HEAVY_5esv_V-n1'] = "A B C C' C'' D E F G";
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12020
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tpl2strandsig['FAB-LIGHT_5esv_C1-n2'] = "A B C C' E F G";
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12020
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tpl2strandsig['FAB-LIGHT_5esv_C1-n2'] = "A B C C' D E F G";
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12021
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tpl2strandsig['FAB-LIGHT_5esv_V-n1'] = "A A' B C C' C'' D E F G";
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12022
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tpl2strandsig['
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12022
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tpl2strandsig['GHR_1axiB_human_C1-n1'] = "A B C C' D E F G";
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12023
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tpl2strandsig['ICOS_6x4gA_human_V'] = "A B C C' C'' D E F G";
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12024
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tpl2strandsig['IL6Rb_1bquB_human_FN3-n2'] = "A B C C' E F G";
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12025
12025
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tpl2strandsig['IL6Rb_1bquB_human_FN3-n3'] = "A B C C' E F G";
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12026
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tpl2strandsig['InsulinR_8guyE_human_FN3-n1'] = "A B C C' E F G";
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12027
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tpl2strandsig['InsulinR_8guyE_human_FN3-n2'] = "A B C C' E F G";
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12028
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tpl2strandsig['IsdA_2iteA_bacteria'] = "A- A B C C' D E F G";
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12029
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tpl2strandsig['
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12030
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tpl2strandsig['
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12029
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tpl2strandsig['JAM1_1nbqA_human_Iset-n2'] = "A A' B C C' D E F G";
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12030
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tpl2strandsig['LAG3_7tzgD_human_C1-n2'] = "A A' B C C' D E F G";
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12031
12031
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tpl2strandsig['LAG3_7tzgD_human_V-n1'] = "A' B C C' D E F G";
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12032
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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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@@ -12041,16 +12041,16 @@ class SetDialog {
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12041
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tpl2strandsig['RBPJ_6py8C_human_Unk-n1'] = "A A' B C C' E F G";
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12042
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tpl2strandsig['RBPJ_6py8C_human_Unk-n2'] = "A B C D E F G";
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12043
12043
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tpl2strandsig['Sidekick2_1wf5A_human_FN3-n7'] = "A B C C' E F G";
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12044
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tpl2strandsig['
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12044
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tpl2strandsig['Siglec3_5j0bB_human_C1-n2'] = "A A' B C D E F G";
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12045
12045
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tpl2strandsig['TCRa_6jxrm_human_C1-n2'] = "A B C D E F G";
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12046
12046
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tpl2strandsig['TCRa_6jxrm_human_V-n1'] = "A A' B C C' C'' D E F G";
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12047
12047
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tpl2strandsig['TEAD1_3kysC_human'] = "A A+ A' B C C' E F G G+";
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12048
12048
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tpl2strandsig['TP34_2o6cA_bacteria'] = "A- A B C C' D E F G";
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12049
12049
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tpl2strandsig['TP47_1o75A_bacteria'] = "A B C C' D E F G";
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12050
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tpl2strandsig['
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12050
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tpl2strandsig['Titin_4uowM_human_Iset-n152'] = "A A' B C C' D E F G";
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12051
12051
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tpl2strandsig['VISTA_6oilA_human_V'] = "A A' B C C' C'' D E F G G+";
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12052
12052
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tpl2strandsig['VNAR_1t6vN_shark_V'] = "A A' B C C' D E F G";
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12053
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tpl2strandsig['
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12053
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tpl2strandsig['VTCN1_Q7Z7D3_human_C1-n2'] = "A B C C' D E F G G+";
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12054
12054
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12055
12055
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let html = '';
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12056
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for(let group in group2tpl) {
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@@ -37993,7 +37993,7 @@ class AnnoIg {
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37993
37993
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// titleArray.push(igType + confidance + ' (TM:' + parseFloat(tmscore).toFixed(2) + ')');
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37994
37994
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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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37995
37995
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37996
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let igType = (parseFloat(tmscore) <
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37996
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let igType = (parseFloat(tmscore) < ic.refnumCls.TMThreshold ) ? 'Ig' : ic.ref2igtype[info.refpdbname];
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37997
37997
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titleArray.push(igType + ' (TM:' + parseFloat(tmscore).toFixed(2) + ')');
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37998
37998
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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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37999
37999
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@@ -65828,6 +65828,8 @@ class Dssp {
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65828
65828
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class Refnum {
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65829
65829
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constructor(icn3d) {
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65830
65830
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this.icn3d = icn3d;
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65831
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this.TMThreshold = 0.85;
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65832
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this.topClusters = 5;
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65831
65833
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}
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65832
65834
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65833
65835
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async hideIgRefNum() { let ic = this.icn3d; ic.icn3dui;
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@@ -65862,7 +65864,7 @@ class Dssp {
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65862
65864
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65863
65865
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setRefPdbs() { let ic = this.icn3d; ic.icn3dui;
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65864
65866
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// round 1, 16 templates
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65865
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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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65867
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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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65866
65868
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65867
65869
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// round 2
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65868
65870
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ic.refpdbHash = {};
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@@ -65872,19 +65874,19 @@ class Dssp {
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65872
65874
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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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65873
65875
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ic.refpdbHash['1CuZnSuperoxideDismutase_1hl5C_human'] = ['CuZnSuperoxideDismutase_1hl5C_human', 'TEAD1_3kysC_human'];
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65874
65876
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ic.refpdbHash['1ASF1A_2iijA_human'] = ['ASF1A_2iijA_human', 'RBPJ_6py8C_human_Unk-n2', 'TP47_1o75A_bacteria'];
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65875
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-
ic.refpdbHash['1FAB-LIGHT_5esv_C1-n2'] = ['FAB-LIGHT_5esv_C1-n2', '
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65876
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-
ic.refpdbHash['1CD2_1hnfA_human_C2-n2'] = ['CD2_1hnfA_human_C2-n2', '
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65877
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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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65878
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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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65877
65879
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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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65878
65880
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ic.refpdbHash['1NaKATPaseTransporterBeta_2zxeB_spurdogshark'] = ['NaKATPaseTransporterBeta_2zxeB_spurdogshark'];
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65879
65881
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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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65880
65882
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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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65881
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-
ic.refpdbHash['1BTLA_2aw2A_human_Iset'] = ['BTLA_2aw2A_human_Iset', 'Palladin_2dm3A_human_Iset-n1', '
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65882
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-
ic.refpdbHash['1LaminAC_1ifrA_human'] = ['LaminAC_1ifrA_human', '
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65883
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-
ic.refpdbHash['
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65884
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-
ic.refpdbHash['1CD28_1yjdC_human_V'] = ['CD28_1yjdC_human_V', 'MPT63_1lmiA_bacteria', '
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65885
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-
ic.refpdbHash['
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65883
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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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65884
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+
ic.refpdbHash['1LaminAC_1ifrA_human'] = ['LaminAC_1ifrA_human', 'CD3d_6jxrd_human_C1'];
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65885
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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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65886
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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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65887
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+
ic.refpdbHash['1CD19_6al5A_human-n1'] = ['CD19_6al5A_human-n1'];
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65886
65888
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65887
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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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65889
|
+
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'];
|
|
65888
65890
|
|
|
65889
65891
|
// use known ref structure
|
|
65890
65892
|
ic.refpdbHash['5ESV_C'] = ['FAB-HEAVY_5esv_V-n1', 'FAB-HEAVY_5esv_C1-n2'];
|
|
@@ -65892,7 +65894,7 @@ class Dssp {
|
|
|
65892
65894
|
ic.refpdbHash['8GUY_E'] = ['InsulinR_8guyE_human_FN3-n1', 'InsulinR_8guyE_human_FN3-n2'];
|
|
65893
65895
|
ic.refpdbHash['6JXR_m'] = ['TCRa_6jxrm_human_V-n1', 'TCRa_6jxrm_human_C1-n2'];
|
|
65894
65896
|
ic.refpdbHash['1HNF_A'] = ['CD2_1hnfA_human_V-n1', 'CD2_1hnfA_human_C2-n2'];
|
|
65895
|
-
ic.refpdbHash['7TZG_D'] = ['LAG3_7tzgD_human_V-n1', '
|
|
65897
|
+
ic.refpdbHash['7TZG_D'] = ['LAG3_7tzgD_human_V-n1', 'LAG3_7tzgD_human_C1-n2'];
|
|
65896
65898
|
ic.refpdbHash['6PY8_C'] = ['RBPJ_6py8C_human_Unk-n1', 'RBPJ_6py8C_human_Unk-n2'];
|
|
65897
65899
|
ic.refpdbHash['1BQU_B'] = ['IL6Rb_1bquB_human_FN3-n2', 'IL6Rb_1bquB_human_FN3-n3'];
|
|
65898
65900
|
|
|
@@ -65902,7 +65904,7 @@ class Dssp {
|
|
|
65902
65904
|
ic.refpdbHash['1I8A_A'] = ['Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4'];
|
|
65903
65905
|
ic.refpdbHash['2FWU_A'] = ['NaCaExchanger_2fwuA_dog_n2'];
|
|
65904
65906
|
ic.refpdbHash['4JQI_A'] = ['BArrestin1_4jqiA_rat_n1'];
|
|
65905
|
-
ic.refpdbHash['1NBQ_A'] = ['
|
|
65907
|
+
ic.refpdbHash['1NBQ_A'] = ['JAM1_1nbqA_human_Iset-n2'];
|
|
65906
65908
|
ic.refpdbHash['1O75_A'] = ['TP47_1o75A_bacteria'];
|
|
65907
65909
|
ic.refpdbHash['7PHR_H'] = ['MHCIa_7phrH_human_C1'];
|
|
65908
65910
|
ic.refpdbHash['2IIJ_A'] = ['ASF1A_2iijA_human'];
|
|
@@ -65914,9 +65916,9 @@ class Dssp {
|
|
|
65914
65916
|
ic.refpdbHash['2AW2_A'] = ['BTLA_2aw2A_human_Iset'];
|
|
65915
65917
|
ic.refpdbHash['1HL5_C'] = ['CuZnSuperoxideDismutase_1hl5C_human'];
|
|
65916
65918
|
ic.refpdbHash['1WF5_A'] = ['Sidekick2_1wf5A_human_FN3-n7'];
|
|
65917
|
-
ic.refpdbHash['5J0B_B'] = ['
|
|
65919
|
+
ic.refpdbHash['5J0B_B'] = ['Siglec3_5j0bB_human_C1-n2'];
|
|
65918
65920
|
ic.refpdbHash['1IFR_A'] = ['LaminAC_1ifrA_human'];
|
|
65919
|
-
ic.refpdbHash['Q7Z7D3_A'] = ['
|
|
65921
|
+
ic.refpdbHash['Q7Z7D3_A'] = ['VTCN1_Q7Z7D3_human_C1-n2'];
|
|
65920
65922
|
ic.refpdbHash['4ZQK_B'] = ['PD1_4zqkB_human_V'];
|
|
65921
65923
|
ic.refpdbHash['2DM3_A'] = ['Palladin_2dm3A_human_Iset-n1'];
|
|
65922
65924
|
ic.refpdbHash['2ITE_A'] = ['IsdA_2iteA_bacteria'];
|
|
@@ -65924,17 +65926,17 @@ class Dssp {
|
|
|
65924
65926
|
ic.refpdbHash['4ZT1_A'] = ['ECadherin_4zt1A_human_n2'];
|
|
65925
65927
|
ic.refpdbHash['1LMI_A'] = ['MPT63_1lmiA_bacteria'];
|
|
65926
65928
|
ic.refpdbHash['1CD8_A'] = ['CD8a_1cd8A_human_V'];
|
|
65927
|
-
ic.refpdbHash['3S97_C'] = ['
|
|
65928
|
-
ic.refpdbHash['1AXI_B'] = ['
|
|
65929
|
+
ic.refpdbHash['3S97_C'] = ['Contactin1_3s97C_human_Iset-n2'];
|
|
65930
|
+
ic.refpdbHash['1AXI_B'] = ['GHR_1axiB_human_C1-n1'];
|
|
65929
65931
|
ic.refpdbHash['6X4G_A'] = ['ICOS_6x4gA_human_V'];
|
|
65930
65932
|
ic.refpdbHash['2EE2_A'] = ['Contactin1_2ee2A_human_FN3-n9'];
|
|
65931
|
-
ic.refpdbHash['4UOW_M'] = ['
|
|
65932
|
-
ic.refpdbHash['6A15_A'] = ['
|
|
65933
|
+
ic.refpdbHash['4UOW_M'] = ['Titin_4uowM_human_Iset-n152'];
|
|
65934
|
+
ic.refpdbHash['6A15_A'] = ['CD19_6al5A_human-n1'];
|
|
65933
65935
|
ic.refpdbHash['2QKI_D'] = ['C3_2qkiD_human_n1'];
|
|
65934
65936
|
ic.refpdbHash['1YJD_C'] = ['CD28_1yjdC_human_V'];
|
|
65935
|
-
ic.refpdbHash['6JXR_d'] = ['
|
|
65936
|
-
ic.refpdbHash['6JXR_f'] = ['
|
|
65937
|
-
ic.refpdbHash['6JXR_g'] = ['
|
|
65937
|
+
ic.refpdbHash['6JXR_d'] = ['CD3d_6jxrd_human_C1'];
|
|
65938
|
+
ic.refpdbHash['6JXR_f'] = ['CD3e_6jxrf_human_C1'];
|
|
65939
|
+
ic.refpdbHash['6JXR_g'] = ['CD3g_6jxrg_human_C2'];
|
|
65938
65940
|
|
|
65939
65941
|
// assign Ig types
|
|
65940
65942
|
ic.ref2igtype = {};
|
|
@@ -65944,17 +65946,17 @@ class Dssp {
|
|
|
65944
65946
|
ic.ref2igtype['BArrestin1_4jqiA_rat_n1'] = 'IgFN3-like';
|
|
65945
65947
|
ic.ref2igtype['BTLA_2aw2A_human_Iset'] = 'IgI';
|
|
65946
65948
|
ic.ref2igtype['C3_2qkiD_human_n1'] = 'IgFN3-like';
|
|
65947
|
-
ic.ref2igtype['
|
|
65949
|
+
ic.ref2igtype['CD19_6al5A_human-n1'] = 'CD19';
|
|
65948
65950
|
ic.ref2igtype['CD28_1yjdC_human_V'] = 'IgV';
|
|
65949
65951
|
ic.ref2igtype['CD2_1hnfA_human_C2-n2'] = 'IgC2';
|
|
65950
65952
|
ic.ref2igtype['CD2_1hnfA_human_V-n1'] = 'IgV';
|
|
65951
|
-
ic.ref2igtype['
|
|
65952
|
-
ic.ref2igtype['
|
|
65953
|
-
ic.ref2igtype['
|
|
65953
|
+
ic.ref2igtype['CD3d_6jxrd_human_C1'] = 'IgI';
|
|
65954
|
+
ic.ref2igtype['CD3e_6jxrf_human_C1'] = 'IgI';
|
|
65955
|
+
ic.ref2igtype['CD3g_6jxrg_human_C2'] = 'IgI';
|
|
65954
65956
|
ic.ref2igtype['CD8a_1cd8A_human_V'] = 'IgV';
|
|
65955
65957
|
ic.ref2igtype['CoAtomerGamma1_1r4xA_human'] = 'IgE';
|
|
65956
65958
|
ic.ref2igtype['Contactin1_2ee2A_human_FN3-n9'] = 'IgFN3';
|
|
65957
|
-
ic.ref2igtype['
|
|
65959
|
+
ic.ref2igtype['Contactin1_3s97C_human_Iset-n2'] = 'IgC2';
|
|
65958
65960
|
ic.ref2igtype['CuZnSuperoxideDismutase_1hl5C_human'] = 'SOD';
|
|
65959
65961
|
ic.ref2igtype['ECadherin_4zt1A_human_n2'] = 'Cadherin';
|
|
65960
65962
|
ic.ref2igtype['Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4'] = 'IgE';
|
|
@@ -65962,15 +65964,15 @@ class Dssp {
|
|
|
65962
65964
|
ic.ref2igtype['FAB-HEAVY_5esv_V-n1'] = 'IgV';
|
|
65963
65965
|
ic.ref2igtype['FAB-LIGHT_5esv_C1-n2'] = 'IgC1';
|
|
65964
65966
|
ic.ref2igtype['FAB-LIGHT_5esv_V-n1'] = 'IgV';
|
|
65965
|
-
ic.ref2igtype['
|
|
65967
|
+
ic.ref2igtype['GHR_1axiB_human_C1-n1'] = 'IgFN3';
|
|
65966
65968
|
ic.ref2igtype['ICOS_6x4gA_human_V'] = 'IgV';
|
|
65967
65969
|
ic.ref2igtype['IL6Rb_1bquB_human_FN3-n2'] = 'IgFN3';
|
|
65968
65970
|
ic.ref2igtype['IL6Rb_1bquB_human_FN3-n3'] = 'IgFN3';
|
|
65969
65971
|
ic.ref2igtype['InsulinR_8guyE_human_FN3-n1'] = 'IgFN3';
|
|
65970
65972
|
ic.ref2igtype['InsulinR_8guyE_human_FN3-n2'] = 'IgFN3';
|
|
65971
65973
|
ic.ref2igtype['IsdA_2iteA_bacteria'] = 'IgE';
|
|
65972
|
-
ic.ref2igtype['
|
|
65973
|
-
ic.ref2igtype['
|
|
65974
|
+
ic.ref2igtype['JAM1_1nbqA_human_Iset-n2'] = 'IgI';
|
|
65975
|
+
ic.ref2igtype['LAG3_7tzgD_human_C1-n2'] = 'IgC2';
|
|
65974
65976
|
ic.ref2igtype['LAG3_7tzgD_human_V-n1'] = 'IgV';
|
|
65975
65977
|
ic.ref2igtype['LaminAC_1ifrA_human'] = 'Lamin';
|
|
65976
65978
|
ic.ref2igtype['MHCIa_7phrH_human_C1'] = 'IgC1';
|
|
@@ -65984,16 +65986,16 @@ class Dssp {
|
|
|
65984
65986
|
ic.ref2igtype['RBPJ_6py8C_human_Unk-n1'] = 'IgFN3-like';
|
|
65985
65987
|
ic.ref2igtype['RBPJ_6py8C_human_Unk-n2'] = 'IgFN3-like';
|
|
65986
65988
|
ic.ref2igtype['Sidekick2_1wf5A_human_FN3-n7'] = 'IgFN3';
|
|
65987
|
-
ic.ref2igtype['
|
|
65989
|
+
ic.ref2igtype['Siglec3_5j0bB_human_C1-n2'] = 'IgC2';
|
|
65988
65990
|
ic.ref2igtype['TCRa_6jxrm_human_C1-n2'] = 'IgC1';
|
|
65989
65991
|
ic.ref2igtype['TCRa_6jxrm_human_V-n1'] = 'IgV';
|
|
65990
65992
|
ic.ref2igtype['TEAD1_3kysC_human'] = 'IgE';
|
|
65991
65993
|
ic.ref2igtype['TP34_2o6cA_bacteria'] = 'IgE';
|
|
65992
65994
|
ic.ref2igtype['TP47_1o75A_bacteria'] = 'IgE';
|
|
65993
|
-
ic.ref2igtype['
|
|
65995
|
+
ic.ref2igtype['Titin_4uowM_human_Iset-n152'] = 'IgI';
|
|
65994
65996
|
ic.ref2igtype['VISTA_6oilA_human_V'] = 'IgV';
|
|
65995
65997
|
ic.ref2igtype['VNAR_1t6vN_shark_V'] = 'IgV';
|
|
65996
|
-
ic.ref2igtype['
|
|
65998
|
+
ic.ref2igtype['VTCN1_Q7Z7D3_human_C1-n2'] = 'IgV';
|
|
65997
65999
|
}
|
|
65998
66000
|
|
|
65999
66001
|
getPdbAjaxArray() { let ic = this.icn3d, me = ic.icn3dui;
|
|
@@ -66408,17 +66410,20 @@ class Dssp {
|
|
|
66408
66410
|
if(bBstrand && bCstrand && bEstrand && bFstrand) break;
|
|
66409
66411
|
}
|
|
66410
66412
|
|
|
66411
|
-
if(
|
|
66412
|
-
|
|
66413
|
-
if(!
|
|
66414
|
-
|
|
66415
|
-
|
|
66416
|
-
|
|
66417
|
-
|
|
66418
|
-
|
|
66413
|
+
// if(refpdbname != 'CD19_6al5A_human-n1') { // relax for CD19
|
|
66414
|
+
if(!(bBstrand && bCstrand && bEstrand && bFstrand) || !(bBSheet && bCSheet && bESheet && bFSheet)) {
|
|
66415
|
+
// if(!(bBstrand && bCstrand && bEstrand && bFstrand)) {
|
|
66416
|
+
if(!me.bNode && !(bBstrand && bCstrand && bEstrand && bFstrand)) console.log("Some of the Ig strands B, C, E, F are missing in the domain " + domainid + "...");
|
|
66417
|
+
if(!me.bNode && !(bBSheet && bCSheet && bESheet && bFSheet)) console.log("Some of the Ig strands B, C, E, F are not beta sheets...");
|
|
66418
|
+
// 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 + "...");
|
|
66419
|
+
if(ic.domainid2refpdbname[domainid][0] == refpdbname) {
|
|
66420
|
+
delete ic.domainid2refpdbname[domainid];
|
|
66421
|
+
delete ic.domainid2score[domainid];
|
|
66422
|
+
}
|
|
66423
|
+
continue;
|
|
66419
66424
|
}
|
|
66420
|
-
|
|
66421
|
-
|
|
66425
|
+
// }
|
|
66426
|
+
|
|
66422
66427
|
}
|
|
66423
66428
|
|
|
66424
66429
|
if(!bRound1) {
|
|
@@ -66447,7 +66452,8 @@ class Dssp {
|
|
|
66447
66452
|
ic.domainid2score[domainid] = queryData[0].score + '_' + queryData[0].frac_identical + '_' + queryData[0].num_res ;
|
|
66448
66453
|
|
|
66449
66454
|
if(bRound1) {
|
|
66450
|
-
ic.domainid2refpdbname[domainid] = score > 0.75 ? [refpdbname] : ['all_templates'];
|
|
66455
|
+
// ic.domainid2refpdbname[domainid] = score > 0.75 ? [refpdbname] : ['all_templates'];
|
|
66456
|
+
ic.domainid2refpdbname[domainid] = score >= this.TMThreshold ? [refpdbname] : ['all_templates'];
|
|
66451
66457
|
}
|
|
66452
66458
|
else {
|
|
66453
66459
|
ic.domainid2refpdbname[domainid] = [refpdbname];
|
|
@@ -66466,7 +66472,7 @@ class Dssp {
|
|
|
66466
66472
|
}
|
|
66467
66473
|
}
|
|
66468
66474
|
|
|
66469
|
-
// combine the top
|
|
66475
|
+
// combine the top clusters for the 2nd round alignment
|
|
66470
66476
|
if(bRound1) {
|
|
66471
66477
|
for(let domainid in domainid2refpdbnamelist) {
|
|
66472
66478
|
if(!me.bNode && ic.domainid2refpdbname[domainid][0] == 'all_templates') {
|
|
@@ -66475,8 +66481,8 @@ class Dssp {
|
|
|
66475
66481
|
refpdbnameList.sort(function(a, b) {
|
|
66476
66482
|
return refpdbname2score[b] - refpdbname2score[a]
|
|
66477
66483
|
});
|
|
66478
|
-
// top
|
|
66479
|
-
ic.domainid2refpdbname[domainid] = refpdbnameList.slice(0,
|
|
66484
|
+
// top templates
|
|
66485
|
+
ic.domainid2refpdbname[domainid] = refpdbnameList.slice(0, this.topClusters);
|
|
66480
66486
|
}
|
|
66481
66487
|
}
|
|
66482
66488
|
}
|
|
@@ -66708,13 +66714,13 @@ class Dssp {
|
|
|
66708
66714
|
|
|
66709
66715
|
let currStrand;
|
|
66710
66716
|
|
|
66711
|
-
// let bCd19 = refpdbnameArray.length == 1 && refpdbnameArray[0] == '
|
|
66717
|
+
// let bCd19 = refpdbnameArray.length == 1 && refpdbnameArray[0] == 'CD19_6al5A_human-n1';
|
|
66712
66718
|
for(let i = 0, il = segArray.length; i < il; ++i) {
|
|
66713
66719
|
let seg = segArray[i];
|
|
66714
66720
|
if(!seg) continue;
|
|
66715
66721
|
|
|
66716
|
-
|
|
66717
|
-
parseInt(seg.q_start);
|
|
66722
|
+
seg.q_start;
|
|
66723
|
+
let qStartInt = parseInt(seg.q_start);
|
|
66718
66724
|
if(isNaN(seg.q_start)) seg.q_start.substr(seg.q_start.length - 1, 1);
|
|
66719
66725
|
|
|
66720
66726
|
// one item in "seq"
|
|
@@ -66727,7 +66733,8 @@ class Dssp {
|
|
|
66727
66733
|
let resid = chainid + '_' + seg.t_start;
|
|
66728
66734
|
//let refnum = qStartInt.toString() + postfix;
|
|
66729
66735
|
//let refnum = qStart + postfix;
|
|
66730
|
-
let refnum = qStart;
|
|
66736
|
+
//let refnum = qStart;
|
|
66737
|
+
let refnum = qStartInt;
|
|
66731
66738
|
|
|
66732
66739
|
let refnumLabel = this.getLabelFromRefnum(refnum);
|
|
66733
66740
|
currStrand = (refnumLabel) ? refnumLabel.replace(new RegExp(refnum,'g'), '') : undefined;
|
|
@@ -67142,7 +67149,7 @@ class Dssp {
|
|
|
67142
67149
|
if(!ic.chainid2refpdbname[chnid]) return false;
|
|
67143
67150
|
|
|
67144
67151
|
// auto-generate ref numbers for loops
|
|
67145
|
-
let currStrand = '', prevStrand = '';
|
|
67152
|
+
let currStrand = '', prevStrand = '', prevValidStrand = '';
|
|
67146
67153
|
let refnumLabel, refnumStr_ori, refnumStr, postfix, strandPostfix, refnum, refnum3c, refnum2c;
|
|
67147
67154
|
let bExtendedStrand = false, bSecThird9 = false;
|
|
67148
67155
|
|
|
@@ -67206,7 +67213,8 @@ class Dssp {
|
|
|
67206
67213
|
if(!bSecThird9 || (bExtendedStrand && !bSecThird9)) {
|
|
67207
67214
|
let lastTwo = parseInt(refnum.toString().substr(refnum.toString().length - 2, 2));
|
|
67208
67215
|
|
|
67209
|
-
|
|
67216
|
+
// reset currCnt
|
|
67217
|
+
if(currStrand != prevStrand && currStrand != prevValidStrand) { // sometimes the same resid appear several times, e.g, 7M7B_H_135
|
|
67210
67218
|
bFoundAnchor = false;
|
|
67211
67219
|
|
|
67212
67220
|
if(strandHash[currStrand + postfix]) {
|
|
@@ -67308,6 +67316,8 @@ class Dssp {
|
|
|
67308
67316
|
}
|
|
67309
67317
|
}
|
|
67310
67318
|
}
|
|
67319
|
+
|
|
67320
|
+
prevValidStrand = currStrand;
|
|
67311
67321
|
}
|
|
67312
67322
|
}
|
|
67313
67323
|
|
|
@@ -67395,6 +67405,7 @@ class Dssp {
|
|
|
67395
67405
|
for(let il = strandArray.length, i = il - 1; i >= 0; --i) {
|
|
67396
67406
|
// let strandTmp = strandArray[i].strand.substr(0, 1);
|
|
67397
67407
|
let strandTmp = strandArray[i].strand;
|
|
67408
|
+
|
|
67398
67409
|
if(strandTmp != 'G' && strandArray[i].endRefnum - strandArray[i].startRefnum + 1 < 3) { // remove the strand
|
|
67399
67410
|
if(i != il - 1) { // modify
|
|
67400
67411
|
strandArray[i + 1].loopResCnt += strandArray[i].loopResCnt + parseInt(strandArray[i].endResi) - parseInt(strandArray[i].startResi) + 1;
|
|
@@ -67411,7 +67422,7 @@ class Dssp {
|
|
|
67411
67422
|
let domainid = ic.resid2domainid[resid];
|
|
67412
67423
|
removeDomainidHash[domainid] = 1;
|
|
67413
67424
|
continue;
|
|
67414
|
-
}
|
|
67425
|
+
}
|
|
67415
67426
|
}
|
|
67416
67427
|
}
|
|
67417
67428
|
|
|
@@ -67528,10 +67539,12 @@ class Dssp {
|
|
|
67528
67539
|
let halfLen = parseInt(len / 2.0 + 0.5);
|
|
67529
67540
|
|
|
67530
67541
|
if(loopCnt <= halfLen) {
|
|
67531
|
-
|
|
67532
|
-
|
|
67533
|
-
|
|
67534
|
-
|
|
67542
|
+
if(strandArray[prevStrandCnt]) {
|
|
67543
|
+
currRefnum = strandArray[prevStrandCnt].endRefnum + loopCnt;
|
|
67544
|
+
refnumLabelNoPostfix = strandArray[prevStrandCnt].strand + currRefnum;
|
|
67545
|
+
refnumLabel = refnumLabelNoPostfix + strandArray[prevStrandCnt].strandPostfix;
|
|
67546
|
+
domainid = strandArray[prevStrandCnt].domainid;
|
|
67547
|
+
}
|
|
67535
67548
|
}
|
|
67536
67549
|
else {
|
|
67537
67550
|
currRefnum = strandArray[strandCnt].startRefnum - len + loopCnt - 1;
|