Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKNARYAWRLSLGGLLLGLLACAVYLLAVPLGFKYGEIQVGHGLEHEGRIAWDAAGVPHIRAQSLEDGYFLLGYSHARDRLWQMEFARRYAGGTLSEVFGAKTLPMDRFARTLGFRRTAEGIYANLDAPTRVLLQRYSDGINAYLELAPAALPLEFSLVRHERPGPWGPVDSLSLHLLYSWTLSANLGMQLQRLALAEHLDLARINEVFAPYPGERPPATRDYASLYRSLHGTPDAGKLLGQLPGSNVEGIGSNNWVVSASRSATGKPLLANDPHLR-LTNPAAFYLASLKIPGLSLTGANFAGAPLFVIGHNQRIAWGYTNTGSHIQDAYLERVDPQDPRRYLTPDGYRPFETRLERIAVR--DGETVS--LEVRSTRHGPVISDIYEPARLPQAQRDRLVIALAWTGLDRHDKTFPSLLAINRAEGWEQFLDAAANFGVPPQNMVYADVEGNIGYVSAGRVPLRGADDDLHGLAPSPGWESRYDWVGYVPESAKPRSLNPREGFIATANQ---------RIVPPDNAFDFGHDWVLPYRYDRIREWLGGPGQRTLEDSLELQNDEFSSVMASLLPKML-EQVSDPELRASEAFALLQGWNHQAAADLAAPLIAGYWVRAFTRELLQPRIGTQLLASGWNQRNYDGFLRLILDGQADLRFWCGQEQGCDLKLNQSLRRALDELRAAHGSAPSGWKWGEAHAALAEHVPFHKTPLRALFDLKNNKGGDNFSVNVGRFDYSDPANPFNTRIAATLRMVIDLADFDNSRYALSTRNSGLPFDGATDLNELWARGAYIRIADDAPDATDRQLVLRPSASSSGEPRP |
1KEH Chain:A ((20-524)) | --------------------------------------------------ILWDGYGVPHIYGVDAPSAFYGYGWAQARSHGDNILRLYGEARGKGAEYWGPDYEQTTVWLLTNGVPERAQQWYAQQSPDFRANLDAFAAGINAYAQQNPDDISPE---VRQVLP-----------------VSGADVVAHAHRL----------MNFLYVASPG-----------------------RTLGEGDPPDLADQGANSWAVAPGKTANGNALLLQNPHLSWTTDYFTYYEAHLVTPDFEIYGATQIGLPVIRFAFNQRM--GITNTVNGMVGATNYRLTLQD-GGYLYDGQVRPFERRQASYRLRQADGSTVDKPLEIRSSVHGPVFE-----------RADGTAVAVRVAGLDR-PGMLEQYFDMITAHSFDDYEAAMARMQVPTFNIVYADREGTINYSFNGVAPKRAEGDIAFWQGNVPGDSSRYLWTETHPLDDLPRVTNPPGGFVQNSNDPPWTPTWPVTYCPANHPSYLAPQTPHSLRAQQSVRLMSENDDLTLERFMALQFSHRAVMADRTLPDLIPAALIDPDPEVQAAARLLAAWDRDFTSDSRAALLFEEWARLFAGQNFAGQAAFATPWSLDKPVSTPYGVRDPKAAVDQLRTAIANTKRKYGAIDRPFGDASRMILNDVNVPGAAGYGNLGSFRVFTWSDPDENGIRTPVHGETWVAMIEFSTPVRAYGLMSYGNSRQPGTTHYSDQIERVSRADFRELLLRREQVEAAVQERTPFNF------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1KEH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -126381 for 4016 contacts (-31.5/contact) +
2D Compatibility (PS) -52723 + (NN) -26162 + (LL) 9164
1D Compatibility (HY) -15200 + (ID) 7500
Total energy: -218802.0 ( -54.48 by residue)
QMean score : 0.423
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