Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPFLIMLLFVGAIGFQVSFVSRSTTWDMSIAGWVLTGVFILYTAFGLFSNRLPSQMADIIWLYGTATSFSKVVYSVLFFSVTWKALLWIISAIFGDVLIVLLSGDHINLLGRSIIFVGLFFIAEVWLMSVSCARTVKKMKRVYVLVFLLMLGIYSICLYRFFFLQHSSGIWESIARFISGVGLVFDTLSPLYVVVFIGIITVSFMTIAFTSRQVEMKESLVKEAEFWEEFQERQFGSGQIIQKPKTTWWGLQGLNGIWSFLWLELLLFKKYLFFHSIHTVMLSGVFYVVIFMYPEWFYLLFFLIVSAVMLSSYYSGIVRHSQSGTLHLFPGALWKKIIILELTNTVWLYILYCVSITFMAVGNLVYWYIYGLGIYIWFMTIRLFAFTHTNRNDIKLSLPQYYKSFFMALGLSGICLYVIHLLTADWYTLVVVVCIGSLSWCLFYRFR |
2KHK Chain:A ((1-53)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MAAIEKRQKEIADGLASAERAHKDLDLAKASATDQLKKAKAEAQVIIEQANKR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2KHK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 6828 for 204 contacts (33.5/contact) +
2D Compatibility (PS) -5440 + (NN) 218 + (LL) 38452
1D Compatibility (HY) 2400 + (ID) 350
Total energy: 42108.0 ( 206.41 by residue)
QMean score : 0.047
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