Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MALTAGIVGLPNVGKSTLFNAITKAGAEAANYPFATIDPNVGMVEVPDERLQKLTELITPKKTVPTTFEFTDIAGIVKGASKGEGLGNKFLANIREVDAIVHVVRAFDDENVMREQGREDAFVDPIADIDTINLELILADLESINKRYARVEKMARTQKDKESVAEFNVLQKIKPVLEDGKSARTIEFTEEEAKVVKGLFLLTTKPVLYVANVDEDKVADPDDIDYVNQIRAFAETENAEVVVISARAEEEISELDDEDKLEFLEAIGLTESGVDKLTRAAYHLLGLGTYFTAGEKEVRAWTFKRGIKAPQAASIIHSDFERGFIRAVTMSYDDLIQYGSEKAVKEAGRLREEGKEYIVQDGDIMEFRFNV |
1UDX Chain:A ((157-247)) | -IADVGLVGYPNAGKSSLLAAMTRAHPKIAPYPFTTLSPNLGVVEVSEE----------------ERFTLADIPGIIEGASEGKGLGLEFLRHIARTRVLLYVLDAADEPLKTLETLRKEVGAYDPALLRRPSLVALNKVDLLEEEAVKALADALAREGLAVLPVSALTGAGLPALKEALHALVRSTPPPEMPKPVPQAGVEVVPVAEGVYEVRAPEVERYLARIKGDLMEAAGYLQEVFRRQGVEAALRAKGVRAGDLVRIGGLEFEYIPEV-------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1UDX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -33908 for 598 contacts (-56.7/contact) +
2D Compatibility (PS) -9806 + (NN) -2723 + (LL) 9576
1D Compatibility (HY) -8800 + (ID) 2100
Total energy: -47761.0 ( -79.87 by residue)
QMean score : 0.382
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