Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSILDKLVILLLVSTLPFSSYSYQFRTKAKQAVVLDLASDLFIFEHNSDEKMSPSSMSKLMTLYVAFDYLKAGIIDMKDKFRVSRKAWE------RKGSSMFLKEGQSVSVKELLEGVTTVSGNDACITLAEGIAGSEENFVVEMNEVAQNLNLSDSYFVNSSGWPDKDHFMSAKDLVVLAKRIFTDFPEYYDLFSKQYLTYNDIIQKNKNLLLF-HDIGVDGLKTGYTNAGGYGIVISAKRNDRRIFAVVNGLNTEKERIEEAKRLIQYSFNHFNTKKIFAKDSVVEEINVLYGKERKVSATVANDVTITYNRNLRDKIKVRVEYKD-MIPAPIKKGQEVGKIFIEIPGIEQQTIPLYAVNDVQELNYVEKFFRILF |
3ITB Chain:B ((13-350)) | ----------------------------ARAWILMDYASGKVLAEGNADEKLDPASLTKIMTSYVVGQALKADKIKLTDMVTVGKDAWATGNPALRGSSVMFLKPGDQVSVADLNKGVIIQSGNDACIALADYVAGSQESFIGLMNGYAKKLGLTNTTFQTVHGLDAPGQFSTARDMALLGKALIHDVPEEYAIHKEKEFTFNKIRQPNRNRLLWSSNLNVDGMKTGTTAGAGYNLVASATQGDMRLISVVLGAKTDRIRFNESEKLLTWGFRFFETVTPIKPDATFVTQRVWFGDKSEVNLGAGEAGSVTIPRGQLKNLKASYTLTEPQLTAPLKKGQVVGTIDFQLNGKSIEQRPLIVMENVEEGG---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ITB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164575 for 2859 contacts (-57.6/contact) +
2D Compatibility (PS) -35706 + (NN) -12331 + (LL) 3716
1D Compatibility (HY) -22800 + (ID) 6000
Total energy: -237696.0 ( -83.14 by residue)
QMean score : 0.511
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