Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSENRPEPVAAETSAATTARHSQADAGAHDAVRRGRHELPADHPRSKVGPLRRTRLTEILRGGRSRLVFGTLAILLCLVLGVAIVTQVRQTDSGDSLETARPADLLVLLDSLRQREATLNAEVIDLQNTLNALQASGNTDQAALESAQARLAALSILVGAVGATGPGVMITIDDPGPGVAPEVMIDVINELRAAGAEAIQINDAHRSVRVGVDTWVVGVPGSLTVDTKVLSPPYSILAIGDPPTLAAAMNIPGGAQDGVKRVGGRMVVQQADRVDVTALRQPKQHQYAQPVK |
4OA5 Chain:A ((16-227)) | ----------SKQDEYLNKLFAVDTEGALKAHKTAPSELRMAQLGTVEGQMLQLLIRMA--GIHSIVEVGTCVGFSAICMAHALPSKGHIYTIEKDYENVVTANQNIVNCKLEDK---ITVLHGEALAQLNTLKEMAPFDMIFIDANKSSYLAY--LNWAKMYIRKGGLIVADN------------------------------------------------TFLFGSVFDEHPT-------------EKVSSNAHASMRAFNDEL--ANKEKYLSTIIPTSEGMMVSIKLT |
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General information:
TITO was launched using:
| RESULT:
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Template: 4OA5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -41626 for 1777 contacts (-23.4/contact) +
2D Compatibility (PS) -22109 + (NN) -7047 + (LL) 5200
1D Compatibility (HY) -4400 + (ID) 1350
Total energy: -71332.0 ( -40.14 by residue)
QMean score : 0.182
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