Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSENILEIRDLAVEFLSGEQRQRVVEGVSFDIRQGETLALVGESGSGKSVTAHSILRLLPYSVASHPAGSIHYQGEDLLKLPERRLRGIRGNRIAMVFQEPMTSLNPLHTIEKQLAEVLALHKGLGGAKASARIL-----ELLELVGIPEPAKRLKAYPHELSGGQRQRVMIAMALACEPQLLIADEPTTALDVTVQLKILDLLKDLQARLGMSLLLITHDLNLVRRIAHRVCVMQQGRIVEQASCQELFAAPRHPYTRELLNAEPSGAPASNPPGETLLAVDDLRVWFPIRKGVFRRTVDHVKAVDGVNFELPRGQTLGIVGESGSGKSTLGLAILRLLESQGGIRFEGTRLDGLAQHDVRPLRREMQVVFQDPYGSLSPRMCVGEIVGEGLRIHRIGSEAEQEQAIIDALVEVGLDPQTRYRYPHEFSGGQRQRIAIARALVLKPALILLDEPTSALDRTVQRQVVELLRQLQGKYNLTYLFISHDLAVVKALSHQLMVVRHGKVVEQGSAEAVFASPQHPYTQQLLEAAFMAPASAEN |
4FWI Chain:B ((4-257)) | ----IIRVEDLRAVYLVREGTIKAADGISLDILENSVTAIVGESASGKSTIIEAMTKTLPPN-GRILSGRVLYKGKDLLTMREEELRKIRWKEIALVPQAAQQSLNPTMKVIEHFKDTVEAH----GVRWSHSELIEKASEKLRMVRL-NPEAVLNSYPLQLSGGMKQRVLIALALLLDPVVLILDEPTSALDVLTQAHIIQLLKELKKMLKITLIFVTHDIAVAAELADKVAVIYGGNLVEYNSTFQIFKNPLHPYTRGLINSIMPIPGDPPSLLNPPSGCRFHPRCEYAMEICKKEKPKWIRLDGEAHVACHLYEE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4FWI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -200533 for 1963 contacts (-102.2/contact) +
2D Compatibility (PS) -26755 + (NN) -14390 + (LL) 14772
1D Compatibility (HY) -20000 + (ID) 4950
Total energy: -251856.0 ( -128.30 by residue)
QMean score : 0.492
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