Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MALTAGIVGLPNVGKSTLFNAITKAGAEAANYPFATIDPNVGMVEVPDERLQKLTELITPKKTVPTTFEFTDIAGIVKGASKGEGLGNKFLANIREVDAIVHVVRAFDDENVMREQGREDAFVDPIADIDTINLELILADLESINKRYARVEKMARTQKDKESVAEFNVLQKIKPVLEDGKSARTIEFTEEEAKVVKGLFLLTTKPVLYVANVDEDKVADPDDIDYVNQIRAFAETENAEVVVISARAEEEISELDDEDKLEFLEAIGLTESGVDKLTRAAYHLLGLGTYFTAGEKEVRAWTFKRGIKAPQAASIIHSDFERGFIRAVTMSYDDLIQYGSEKAVKEAGRLREEGKEYIVQDGDIMEFRFNV |
1UDX Chain:A ((161-248)) | -----GLVGYPNAGKSSLLAAMTRAHPKIAPYPFTTLSPNLGVVEVSEEE----------------RFTLADIPGIIEGASEGKGLGLEFLRHIARTRVLLYVLDAADEPLKTLETLRKEVGAYDPALLRRPSLVALNKVDLLEEEAVKALADALAREGLAVLPVSALTGAGLPALKEALHALVRSTPPPEMPKPVPQAGVEVVPVAEGVYEVRAPEVERYLARIKGDLMEAAGYLQEVFRRQGVEAALRAKGVRAGDLVRIGGLEFEYIPEV-------------------------------------------------------------------------------------------------- |
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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) -22220 for 537 contacts (-41.4/contact) +
2D Compatibility (PS) -9654 + (NN) -3582 + (LL) 10312
1D Compatibility (HY) -9200 + (ID) 2100
Total energy: -36444.0 ( -67.87 by residue)
QMean score : 0.336
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