Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSVDHLISPFRDKRIILALSNEIKKFASK-LTKKLVIMEVCGGHTHSIMKYGLLDLMPK-NLEFAHGPGCP--VCVMPRARLDEAYELASMKDSIVLSLGDMMRVPGSYGSLIQAREKGLDARFLYSPMQALEIAKENPHKKVIYIAIGFETTTPMTASVLLNAKKEKLKNLFFHINHILVPPSVSTILEDKACRINALLAPSHVSVISGAQIYAPLVDRFKLPIIVSGFEPVDILESVLMLTKQALNKEAKLEIQYKRAVSYEGNTKAQELVNACMEVRENFEWRGLGNIKRSALKLKEAFASYDAEKVFKAYLSHKTSKENKACKCGEILKGIAKPLDCSLFATTCTPQNPIGSCMVSSEGACAAYYRYKRV |
1OAO Chain:A ((297-384)) | ---------------------EMEGEAKAAGAKGINLVGICCTGNEVLMRQGIPLVTSFASQELAICTGAIDAMCVDVQCIMPSISAVAECYHTRIITTADNAKIPGAYHIDYQTATAIESAKTAIRMAIEAFKERKESNRPVYIPQIKNRVVAGWSLEALTKLLATQNAQNPIRVLNQAILDGELAGVALICGCNNLKGFQDNSHLTVMKELLKNNVFVVATGCSAQAAGKLGLLDPANVETYCGDGLKGFLKRLGEGANIEIGLPPVFHMGSCVDNSRAVDLLMAMANDLGVDTPKVPFVASAPEAMSGKAAAIGTWWVSLGVPTHVGTMPPVEGSDLIYSILTQIASDVYGGYFIFEMDPQVAARKILDAL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1OAO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -25249 for 524 contacts (-48.2/contact) +
2D Compatibility (PS) -9364 + (NN) -6833 + (LL) 1668
1D Compatibility (HY) -2800 + (ID) 800
Total energy: -43378.0 ( -82.78 by residue)
QMean score : 0.273
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