Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNLCLDSLLNGTQDPKAFGRVAVLFGGKSAEREVSLKSGAMVLQSLLAAGVDAFGIDVGEDLLQRLVEEKIDRAFIILHGRGGEDGSMQGLLECAGIPYTGSGVLASALAMDKLRTKRVWLSLGLPTPDYAVLAS-------EDDCREAAQRLGFPLIVKPAHEGSSIGMAKVGGLDELIAAWREAARYDSQVLVEQWISGPEFTVATLRGQVLPAIRLGTPHTFYDYDAKYLASDTRYQVPCGLDEAKERELKELTARACDALGIQGWGRADVMQDAEGRFWLLEVNTAPGMTDHSLVPMAARAAGLDFQQLVLAILADSREARG |
4C5A Chain:B ((28-326)) | -------------------KIAVLLGGTSAEREVSLNSGAAVLAGLREGGIDAYPVDPKEVDVTQLKSMGFQKVFIALHGRGGEDGTLQGMLELMGLPYTGSGVMASALSMDKLRSKLLWQGAGLPVAPWVALTRAEFEKGLSDKQLAEISALGLPVIVKPSREGSSVGMSKVVAENALQDALRLAFQHDEEVLIEKWLSGPEFTVAILGEEILPSIRIQPSGTFYDYEAKYLSDETQYFCPAGLEASQEANLQALVLKAWTTLGCKGWGRIDVMLDSDGQFYLLEANTSPGMTSHSLVPMAARQAGMSFSQLVVRIL-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4C5A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -187921 for 2533 contacts (-74.2/contact) +
2D Compatibility (PS) -32549 + (NN) -20006 + (LL) 972
1D Compatibility (HY) -28800 + (ID) 7850
Total energy: -276154.0 ( -109.02 by residue)
QMean score : 0.610
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