Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNFKSVVLCILDGWGNGIGDSKYNAISNANPPCWQYISSNYPRCSLSACGTDVGLPDGQIGNSEVGHMNICSGRVVMQSLQRIDREIKTIENNKNLRSFISDLKDKNGVCHIMGLVSDGGVHSHQKHISTLANKISQHEIKVVIHAFLDGRDTLPNSGKKCVQEFEENIKGNDIRIATVSGRYYAMDRDNRWERTIETYEAIAFARATCHNNVMSLIDNNYQNNITDEFIRPTVIGDYKGIELKDGVLLANFRADRMIQLASILLGKTGYTEVAKFSSILSMMKYKEDLQIPCLFPPAFFTNTLGEIIADNKLRQLRIAETEKYAHVTFFFNCGKEEPFSNEERILIPSPKVETYDLQPEMSAFELTEKLVGKIR--SQEFTLIVANYANPDMVGHT----------------------------------------------------------GNMEAAKKAVLAVDDCLAKVLNTVKEI---NDAVLIVTADHGNVECMFDEKNNTPHTAHTLNKVPFIIYPNSCNN---LKLKDG--RLSDIAPTILQLLGIKKPDEMTGSSLIV |
3B5Q Chain:A ((98-357)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NVPTLGSLFSESGYEAVHFGK----THDMGS-LRGFKHKEPVAKPFTDPE--F-PVNN-DSFLDVGTCEDAVAYLSNPPKEPFICIADFQNPHNICGFIGENAGVHTDRPISGPLPELPDNFDVEDWSNIPTPVQYICCSHRRMTQAAHWNEENYRHYIAAFQHYTKMVSKQVDSVLKALYSTPAGRNTIVVIMADHGDGMASHRMVTKHISFYDEMTNVPFIFAGPGIKQQKKPVDHLLTQPTLDLLPTLCDLAGIAVPAEKAGISLAP |
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General information:
TITO was launched using:
| RESULT:
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Template: 3B5Q.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -44037 for 1346 contacts (-32.7/contact) +
2D Compatibility (PS) -20584 + (NN) -8367 + (LL) 17916
1D Compatibility (HY) -4800 + (ID) 1750
Total energy: -61622.0 ( -45.78 by residue)
QMean score : 0.449
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