Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTGESGAAAAPSITLNDEHTMPVLGLGVAELSDDETERAVSAALEIGCRLIDTAYAYGNEAAVGRAIAASGVAREELFVTTKLATPDQGFTRSQEACRASLDRLGLDYVDLYLIHWPAPPVGKYVDAWGGMIQSRGEGHARSIGVSNFTAENIENLIDLTFVTPAVNQIELHPLLNQDELRKANAQHTVVTQSYCPLALGRLLDNPTVTSIASEYVKTPAQVLLRWNLQLGNAVVVRSARPERIASNFDVFDFELAAEHMDALGGLN--DGTRVREDPLTYAGT |
3WBY Chain:A ((12-279)) | -------EAQTVISFHDGHTMPQIGLGVWETPPDETAEVVKEAVKLGYRSVATARLYKNEEGVGKGLED----HPEIFLTTKLWNDEQGYDSTLRAYEESARLLRRPVLDLYLIHWPMPAQGQYVETWKALVELKKSGRVKSIGVSNFESEHLERIMDATGVVPVVNQIELHPDFQQRALREFHEKHNIRTESWRPLGKGRVLSDERIGKIAEKHSRTPAQVVIRWHLQNGLIVIPKSVNPKRLAENLDVFGFVLDADDMQAIEQMDRKDG-RMGADPNT---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WBY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136982 for 2245 contacts (-61.0/contact) +
2D Compatibility (PS) -28427 + (NN) -9008 + (LL) 440
1D Compatibility (HY) -20400 + (ID) 5750
Total energy: -200127.0 ( -89.14 by residue)
QMean score : 0.529
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