Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSLLELVNLHKTFEKGTVNENHVLRGLDLTIEDGDFISVIGGNGAGKSTLLNCIAGLIPIDQGAITLDNQSITKDSVEKRSKDISRVFQDPRMGTATNLTIEENMAIAHKRGNKRHIFRQSVTDDDRQLFKKSLSQLGLGLENRMKTDAAFLSGGQRQALTLAMATLVRPKLLLLDEHTAALDPKTSDMVMELTQKVIEEQRLTALMITHNMEHAIAYGNRLVMLYHGKIVVDVKGEAKRNLTVAELMELFHKNSGQQLIDDALVLG |
| 3D31 Chain:A ((2-213)) | ---IEIESLSRKWK------NFSLDNLSLKVESGEYFVILGPTGAGKTLFLELIAGFHVPDSGRILLDGKDVTDLSP--EKHDIAFVYQNYSL--FPHMNVKKNLEFGMRMKKI----------KDPKRVLDTARDLKI--EHLLDRNPLTLSGGEQQRVALARALVTNPKILLLDEPLSALDPRTQENAREMLSVLHKKNKLTVLHITHDQTEARIMADRIAVVMDGKLIQVGKPEEIFEKPVEGRVASFVGFENVLKGRVISAEQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3D31.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -119714 for 1697 contacts (-70.5/contact) +
2D Compatibility (PS) -23019 + (NN) -8453 + (LL) 1408
1D Compatibility (HY) -13200 + (ID) 3250
Total energy: -166228.0 ( -97.95 by residue)
QMean score : 0.607
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