Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGRGNSTEVTEFHLLGFGVQHEFQHVLFIVLLLIYVTSLIGNIGMILLIKTDSRLQTPMYFFPQHLAFVDICYTSAITP---KMLQSFTEENNLITFRGCVIQFLVYATFATSDCYLLAIMAMDCYVAICKPLRYPMIMSQTVYIQLVAGSYIIGSINASVHTGFTFSLSFCKSNKINHFFCDGLPILALSCSNIDINIILDVVFVGFDLMFTELVIIFSYIYIMVTILKMSSTAGRKKSFSTCASHLTAVTIFYGTLSYMYLQPQSNNSQENMKVASIFYGTVIPMLNPLIYSLRNKEGK |
3PWH Chain:A ((12-131)) | -----------------------------VELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADILVGVLAIPFAITISTGFCAACHGCLFIACFVLVL-----AQSSIFSLLAIAIDRYIAIAIPLRYNGLVTGTRAAGIIAICWVLSFAIGLTPMLGWNNCGQPGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFAAARRQLKQMESQPLPGERARSTLQKEVHAAKSAAIIAGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLAHTNSVVNPF |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PWH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -85347 for 741 contacts (-115.2/contact) +
2D Compatibility (PS) -11714 + (NN) -645 + (LL) 2748
1D Compatibility (HY) -10000 + (ID) 1650
Total energy: -106608.0 ( -143.87 by residue)
QMean score : 0.198
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