Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLDTKMLRANFQEIKAKLVHKGED-LTDFDKFEALDDRRRELIGKVEELKGKRNEVSQQVAVLKREKKDADHIIKEMREVGEEIKKLDEELRTVEAELDTILLSIPNIPHESVPVGETEDDNVEVRKWGEKPSFAYEPKPHWDIADELGILDFERAAKVTGSRFVFYKGLGARLERALYNFMLDLHVDEYNYTEVIPPYMVNRASMTGTGQLPKFEEDAFKIREEDYFLIPTAEVPITNMHRDEILSGDSLPINYAAFSACFRSEAGSAGRDTRGLIRQHQFNKVELVKFVKPEDSYEELEKLTNQAERVLQLLELPYRVMSMCTGDLGFTAAKKYDIEVWIPSQDTYREISSCSNFEAFQARRANIRFRREAKGKPEHVHTLNGSGLAVGRTVAAILENYQQEDGSVVIPKVLRPYMGNREVMKP |
2DQ3 Chain:A ((1-422)) | MIDINLIREKPDYVKERLATRDKELVSLVDKVLELDKRRREIIKRLEALRSERNKLSKEIGKLKREGKDTTEIQNRVKELKEEIDRLEEELRKVEEELKNTLLWIPNLPHPSVPVGEDEKDNVEVRRWGEPRKFDFEPKPHWEIGERLGILDFKRGAKLSGSRFTVIAGWGARLERALINFMLDLHT-KKGYKEICPPHLVKPEILIGTGQLPKFEEDLYKCERDNLYLIPTAEVPLTNLYREEILKEENLPIYLTAYTPCYRREAGAYGKDIRGIIRQHQFDKVELVKIVHPDTSYDELEKLVKDAEEVLQLLGLPYRVVELCTGDLGFSAAKTYDIEVWFPSQNKYREISSCSNCEDFQARRMNTRFKDSKTGKNRFVHTLNGSGLAVGRTLAAILENYQQEDGSVVVPEVLRDYVGTDVI--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DQ3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136741 for 3423 contacts (-39.9/contact) +
2D Compatibility (PS) -45622 + (NN) -25581 + (LL) 56
1D Compatibility (HY) -47600 + (ID) 12500
Total energy: -267988.0 ( -78.29 by residue)
QMean score : 0.413
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