Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLKTFILIMNMENEKAHITKVKLPIFLDYQSTTKVDPRVLEMMIPYFSEFSNAHSRSHSFGWAAEEVVEKARRHIADLVNADSKEIIFTSGATESNNMAIKGVAHFYKNKGDHIITVCTEHKCVLDSCRHLENEGFKVTYLPVKRNGIIDLSKLEEAITDRTILVSVMMVNNEIGVIQPVKEIGAICRRHNVFFHTDAAQSFGKVPVDVNGMNIDLMSLTSHKVYGPMGIGALYVRRKSPRVRLTPLISGGGQERGMRSGTVPTPLAVGFGEAARIAKEEMKKEASKLEELRDILYN---KIKEAFPDVVLNGDYNNRIPGNLNLSFPYVEGESLIMAIKDLA---VSSGSACTSASLEPSYVIRSLNSGYDLEHSSIRFGLGRFTTKDEILYAADLIAKNVGRLREMSPLWEMVQEGIDLNTVKWDSH |
4HVK Chain:A ((3-378)) | -------------------------YFDYTSAKPVDERILEAMLPYMTESFGNPSSVHSYGFKAREAVQEAREKVAKLVNGGGGTVVFTSGATEANNLAIIGYAMRNARKGKHILVSAVEHMSVINPAKFLQKQGFEVEYIPVGKYGEVDVSFIDQKLRDDTILVSVQHANNEIGTIQPVEEISEVL-AGKAALHIDATASVGQIEVDVEKIGADMLTISSNDIYGPKGVGALWIRKEA---KLQPVILGGGQENGLRSGSENVPSIVGFGKAAEITAMEWREEAERLRRLRDRIIDNVLKIEESY----LNGHPEKRLPNNVNVRFSYIEGESIVLSL-DMAGIQASTG--------QPSHVLMACGLKHEEAHGTLLLTLGRYNTDEDVDRLLEVLPGVIERLRSMSP------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4HVK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -196371 for 3307 contacts (-59.4/contact) +
2D Compatibility (PS) -39727 + (NN) -20151 + (LL) 5236
1D Compatibility (HY) -28800 + (ID) 7600
Total energy: -287413.0 ( -86.91 by residue)
QMean score : 0.542
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