Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRLSVLLSLLPLALGAPAVEQRSEAAPLIEARGEMVANKYIVKFKEGSALSALDAAMEKISGKPDHVYKNVFSGFAATLDENMVRVLRAHPDVEYIEQDAVVTINAAQTNAPWGLARISSTS-PGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYS---SRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTL-GKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA |
1SH7 Chain:A ((1-274)) | -----------------------------------------------------------------------------------------------------------QSNAIWGLDRIDQRNLPLDRNYNA-NFDGFGVTAYVIDTGVNNNHEEFGGRSVSGYDFVDNDADSSDCNGHGTHVAGTIGGSQYGVAKNVNIVGVRVLSCSGSGTTSGVISGVDWVAQNAS-----GPSVANMSLGGGQSTALDSAVQGAIQSGVSFMLAAGNSNADACNTSPARVPSGVTVGSTTSSDSRSSFSNWGSCVDLFAPGSQIKSAWYDGGYKTISGTSMATPHVAGVAALYLQENNGLTPLQLTGLLNSRASENKVSDT-RGTTNKLLYSLAD- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1SH7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -127880 for 2639 contacts (-48.5/contact) +
2D Compatibility (PS) -29400 + (NN) -14498 + (LL) 8776
1D Compatibility (HY) -12800 + (ID) 6150
Total energy: -181952.0 ( -68.95 by residue)
QMean score : 0.530
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