Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSKNARYAWRLSLGGLLLGLLACAVYLLAVPLGFKYGEIQVGHGLEHEGRIAWDAAGVPHIRAQSLEDGYFLLGYSHARDRLWQMEFARRYAGGTLSEVFGAKTLPMDRFARTLGFRRTAEGIYANLDAPTRVLLQRYSDGINAYLELAPAALPLEFSLVRHERPGPWGPVDSLSLHLLYSWTLSANLGMQLQRLALAEHLDLARINEVFAPYPGERPPATRDYASLYRSLHGTPDAGKLLGQLPGSNVEGIGSNNWVVSASRSATGKPLLANDPHLR-LTNPAAFYLASLKIPGLSLTGANFAGAPLFVIGHNQRIAWGYTNTGSHIQDAYLERVDPQDPRRYLTPDGYRPFETRLERIAVR--DGETVS--LEVRSTRHGPVISDIYEPARLPQAQRDRLVIALAWTGLDRHDKTFPSLLAINRAEGWEQFLDAAANFGVPPQNMVYADVEGNIGYVSAGRVPLRGADDDLHGLAPSPGWESRYDWVGYVPESAKPRSLNPREGFIATANQRIVPPDNAFDFGHDWVLPYRYDRIREWLGGPGQRTL--EDSLEL--QNDEFS------------SVMAS-LLPKML-EQVSDPELRASEAFALLQGWNHQAAADLAAPLIAGYWVRAFTRELLQPRIGTQLLASGWNQRNYDGFLRLILDGQADLRFWCGQEQGCDLKLNQSLRRALDELRAAHGSAPSGWKWGEAHAALAEHVPFHKTPLRALFDLKNNKGGDNFSVNVGRFDYSDPANPFNTRIAATLRMVIDLADFDNSRYALSTRNSGLPFDGATDLNELWARGAYIRIADDAPDATDRQLVLRPSASSSGEPRP |
| 3S8R Chain:A ((20-524)) | --------------------------------------------------ILWDGYGVPHIYGVDAPSAFYGYGWAQARSHGDNILRLYGEARGKGAEYWGPDYEQTTVWLLTNGVPERAQQWYAQQSPDFRANLDAFAAGINAYAQQNPDDISPD---VRQVLP-----------------VSGADVVAHAHRL----------MNFLYVASPG-----------------------RTLGEGDPPDLADQGANSWAVAPGKTANGNALLLQNPHLSWTTDYFTYYEAHLVTPDFEIYGATQIGLPVIRFAFNQRM--GITNTVNGMVGATNYRLTLQD-GGYLYDGQVRPFERPQASYRLRQADGTTVDKPLEIRSSVHGPVFE-----------RADGTAVAVRVAGLDR-PGMLEQYFDMITADSFDDYEAALARMQVPTFNIVYADREGTINYSFNGVAPKRAEGDIAFWQGLVPGDSSRYLWTETHPLDDLPRVTNPPGGFVQNSND---PP-----WTPTWPVTYTPKDFPSYLAPQTPHSLRAQQSVRLMSENDDLTLERFMALQLSHRAVMADRTLPDLIPAALIDPDPEVQAAARLLAAWDREFTSDSRAALLFEEWARLFAGQNFAGQAGFATPWSLDKPVSTPYGVRDPKAAVDQLRTAIANTKRKYGAIDRPFGDASRMILNDVNVPGAAGYGNLGSFRVFTWSDPDENGVRTPVHGETWVAMIEFSTPVRAYGLMSYGNSRQPGTTHYSDQIERVSRADFRELLLRREQVEAAVQERTPFNF------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3S8R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -132955 for 4066 contacts (-32.7/contact) +
2D Compatibility (PS) -52068 + (NN) -29882 + (LL) 9704
1D Compatibility (HY) -18800 + (ID) 7700
Total energy: -231701.0 ( -56.98 by residue)
QMean score : 0.415
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