Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTTLLNVDRVNKQYKDSDFKLQDASLTISTNETVGLIGKNGSGKSTLINILVGNRHKDNGSIAFFGEEHAADDVEYKEHIGVVFDDLRVPNKLTIKDIDKVFQSIYTTWNSQKFFDLIKYFELP--LQTKIKTFSRGMRMKIALTIALSHDVKLLILDEATAGMDVSGREEVMELLEDFVAQ-GGGILISSHISEDIEQLADKLVFMKDGRMILTEQKDILLAQYGIVTTGDKDVEIPKHLIIASRLSKGKYQILVKDYAEIENAEPLKHIDDATKIIMRGEV |
3D31 Chain:A ((1-219)) | ---MIEIESLSRKWK--NFSLDNLSLKVESGEYFVILGPTGAGKTLFLELIAGFHVPDSGRILLDGKDVTDLS-PEKHDIAFVYQNYSLFPHMNVKKNLEFGMRMKKIKDPKRVLDTARDLKIEHLLDRNPLTLSGGEQQRVALARALVTNPKILLLDEPLSALDPRTQENAREMLSVLHKKNKLTVLHITHDQTEARIMADRIAVVMDGKLIQVGKPEEIFEKP---------------------------------------------------------- |
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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) -131411 for 1721 contacts (-76.4/contact) +
2D Compatibility (PS) -22864 + (NN) -2053 + (LL) 4724
1D Compatibility (HY) -11600 + (ID) 2200
Total energy: -165404.0 ( -96.11 by residue)
QMean score : 0.596
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