Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKLFSEYKLKDVTLKNRIVMSPMCMYSVENKDGIATDFHFAHYVSRAAGGTGLVILEATAVQEVGRISEFDLGLWNDEQVPALKKLVGGLHYHGAKAGIQLAHAGRKAVLPGEIVAPSAIAFDEKSDKPVE--------------------LTKEAIKEVVADFKRAAYRAKEAGFDVIEIHAAHGYLIHQFLSPITNRREDNYGGPAGNRYKILSDIIKAVKEVWDGPIIVRVSATDYAHGGLQLEDHIPFAKWMKADGVELIDVSTGGLVNVAPPVFPGYQVPFADEIRRGAGIATGALGLITRGEQAEEILCNERADLIIVGRELLRNPYFAKDAAKQLGETIEAPKQYSRAWK |
2HSA Chain:A ((16-231)) | -NPLFSPYKMGKFNLSHRVVLAPMTRCRALNN--IPQAALGEYYEQRATAG-GFLITEGTMISPTSAGFPHVPGIFTKEQVREWKKIVDVVHAKGAVIFCQLWHVGRAS---HEVYQPAGAAPISSTEKPISNRWRILMPDGTHGIYPKPRAIGTYEISQVVEDYRRSALNAIEAGFDGIEIHGAHGYLIDQFLKDGINDRTDEYGGSLANRCKFITQVVQAV--------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2HSA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -83667 for 1562 contacts (-53.6/contact) +
2D Compatibility (PS) -20227 + (NN) -5293 + (LL) 9152
1D Compatibility (HY) -13600 + (ID) 3800
Total energy: -117435.0 ( -75.18 by residue)
QMean score : 0.404
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