Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLKFFRKNIVLKVVPRLAFGVLWLLHKTCKNRYFLAQDLKEKPFIVSCWHGELGMIGFAYLRLQKPSVYVIASQHFDGSIAAGLFESFGFKNIRGSSKKGGVKVLIEGLKRLKEGCDVAITPDGPKGPRHSIADGVIALAQKSGVGISACRVVCKNAWRLNTWDQFEIPKPFSEVRYYMLESVIIPKEWELSKAKEYLKTRMDSVGFEESQRGLGA |
2C3I Chain:B ((156-204)) | ---------------------------RHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYT----DFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIGGQVFFRQRVSSECQHLIRWCLALRPSDRPTFEEIQNHPWMQDVLLPQETAEIHLH------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C3I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -12586 for 240 contacts (-52.4/contact) +
2D Compatibility (PS) -4891 + (NN) -218 + (LL) 5300
1D Compatibility (HY) -4400 + (ID) 850
Total energy: -17645.0 ( -73.52 by residue)
QMean score : -0.029
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