Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLDTKMLRANFQEIKAKLVHKGEDLTDFDKFEALDDRRRELIGKVEELKGKRNEVSQQVAVLKREKKDADHIIKEMREVGEEIKKLDEELRTVEAELDTILLSIPNIPHESVPVGETEDDNVEVRKWGEKPSFAYEPKPHWDIADELGILDFERAAKVTGSRFVFYKGLGARLERALYNFMLDLHVDEYNYTEVIPPYMVNRASMTGTGQLPKFEEDAFKIREEDYFLIPTAEVPITNMHRDEILSGDSLPINYAAFSACFRSEAGSAGRDTRGLIRQHQFNKVELVKFVKPEDSYE----ELEKLTNQAERVLQLLELPYRVMSMCTGDLGFTAAKKYDIEVWIPSQDTYREISSCSNFEAFQARRANIRFRREAKGKPEHVHTLNGSGLAVGRTVAAILENYQQEDGSVVIPKVLRPYMGNREVMKP |
1SES Chain:B ((38-419)) | --------------------------------------QELKKRLQEVQTERNQVAKRVPKAPPEEKEA--LIARGKALGEEAKRLEEALREKEARLEALLLQVPLPPWPGAPVG-GEEANREIKRVGGPPEFSFPPLDHVALMEKNGWWE-PRISQVSGSRSYALKGDLALYELALLRFAMDFMARRGFLPMTLPSYAREKAFL-GTGHFPAYRDQVWAIAETDLYLTGTAEVVLNALHSGEILPYEALPLRYAGYAPAFRSEAGSFGKDVRGLMRVHQFHKVE--QYVLTEASLEASDRAFQELLENAEEILRLLELPYRLVEVATGDMGPGKWRQVDIEVYLPSEGRYRETHSCSALLDWQARRANLRY-RDPEGRVRYAYTLNNTALATPRILAMLLENHQLQDGRVRVPQALIPYMG-KEVLEP |
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General information:
TITO was launched using:
| RESULT:
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Template: 1SES.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -83299 for 3057 contacts (-27.2/contact) +
2D Compatibility (PS) -40801 + (NN) -15749 + (LL) 3656
1D Compatibility (HY) -26800 + (ID) 7800
Total energy: -170793.0 ( -55.87 by residue)
QMean score : 0.395
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