Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIEADYLVIGAGIAGASTGYWLSAHGRVVVLEREAQPGYHSTGRSAAHYTVAYGTPQVRALTAASRAFFDNPPAGFCEHPLLSPRPEMVVDFSDDPEELRRQYESGKALVPQMRLLDAEQACSIVPVLRRDKVFGATYDPTGADIDTDALHQGYLRGIRRNQGQVLCNHEALEIRRVDGAWEVRCDAGSYRAAVLVNAAGAWCDAIAGLAGVRPLGLQPKRRSAFIFAPPPGIDCHDWPMLVSLDESFYLKPDAGMLLGSPANADPVEAHDVQPEQLDIATGMYLIEEATTLTIRRPEHTWAGLRSFVADGDLVAGYAANAEGFFWVAAQGGYGIQTSAAMGEASAALIRHQPLPAHLREHGLDEAMLSPRRLSP |
3NYC Chain:A ((8-381)) | -IEADYLVIGAGIAGASTGYWLSAHGRVVVLEREAQPGYHSTGRSAAHYTVAYGTPQVRALTAASRAFFDNPPAGFCEHPLLSPRPEMVVDFSDDPEELRRQYESGKALVPQMRLLDAEQACSIVPVLRRDKVFGATYDPTGADIDTDALHQGYLRGIRRNQGQVLCNHEALEIRRVDGAWEVRCDAGSYRAAVLVNAAGAWCDAIAGLAGVRPLGLQPKRRSAFIFAPPPGIDCHDWPMLVSLDESFYLKPDAGMLLGSPANADPVEAHDVQPEQLDIATGMYLIEEATTLTIRRPEHTWAGLRSFVADGDLVAGYAANAEGFFWVAAQGGYGIQTSAAMGEASAALIRHQPLPAHLREHGLDEAMLSPRRLSP |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3NYC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -239743 for 3395 contacts (-70.6/contact) +
2D Compatibility (PS) -39312 + (NN) -8295 + (LL) 208
1D Compatibility (HY) -46800 + (ID) 18700
Total energy: -352642.0 ( -103.87 by residue)
QMean score : 0.648
|
|
|