Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEPIDILIAGAGIGGLSCALALHQAGIGKVTLLESSSEIRPLGVGINIQPAAVEALAELGLGPALAATAIPTHELRYIDQSGATVWSEPRGVEAGNAYPQYSIHRGELQMILLAAVRERLGQQAVRTGLGVERIEERDGRVLIGARDGHGKPQALGADVLVGADGIHSAVRAHLHPDQRPLSHGGITMWRGVTEFDRFLDGKTMIVANDEHWSRLVAYPISARHAAEGKSLVNWVCMVPSAAVGQLDNEADWNRDGRLEDVLPFFADWDLGWFDIRDLLTRNQLILQYPMVDRDPLPHWGRGRITLLGDAAHLMYPMGANGASQAILDGIELAAALARNADVAAALREYEEARRPTANKIILANREREKEEWAAASRPKTEKSAALEAITGSYRNQVERPR |
3C96 Chain:A ((4-402)) | ---PIDILIAGAGIGGLSCALALHQAGIGKVTLLESSSEIRPLGVGINIQPAAVEALAELGLGPALAATAIPTHELRYIDQSGATVWSEPRGVEAGNAYPQYSIHRGELQMILLAAVRERLGQQAVRTGLGVERIEERDGRVLIGARDGHGKPQALGADVLVGADGIHSAVRAHLHPDQRPLSHGGITMWRGVTEFDRFLDGKTMIVANDEHWSRLVAYPISARHAAEGKSLVNWVCMVPSAAVGQLDNEADWNRDGRLEDVLPFFADWDLGWFDIRDLLTRNQLILQYPMVDRDPLPHWGRGRITLLGDAAHLMYPMGANGASQAILDGIELAAALARNADVAAALREYEEARRPTANKIILANREREKEEWAAASRP-------------------ERPR |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C96.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -260007 for 3362 contacts (-77.3/contact) +
2D Compatibility (PS) -41998 + (NN) -25725 + (LL) 1732
1D Compatibility (HY) -47600 + (ID) 19000
Total energy: -392598.0 ( -116.78 by residue)
QMean score : 0.679
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