Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVGWAGNPSFDLFKLPEEHDEMRSAIRALAEKEIAPHAAEVDEKARFPEEALVALNSSGFNAVHIPEEYGGQGADSVATCIVIEEVARVDASASLIPAVNKLGTMGLILRGSEELKKQVLPALAAEGAMASYALSEREAGSDAASMRTRAKADGDHWILNGAKCWITNGGKSTWYTVMAVTDPDRGANGISAFMVHKDDEGFTVGPKERKLGIKGSPTTELYFENCRIPGDRIIGEPGTGFKTALATLDHTRPTIGAQAVGIAQGALDAAIAYTKDRKQFGESISTFQAVQFMLADMAMKVEAARLMVYSAAARAERGEPDLGFISAASKCFASDVAMEVTTDAVQLFGGAGYTTDFPVERFMRDAKITQIYEGTNQIQRVVMSRALLR |
1UKW Chain:B ((3-377)) | ------------FSLTEEQRQLQALARRFAKEVILPVAQEYDEKEEVPWPVIEKLHEVGLLNAIIPEEYGGMGLKMLDEVIVGEELAYACMGIYTIPMASDLGITPVLLAGTEEQKERFLRPLTEKPALAAFALSEPGNGSDAAALKTRAIRQGDHYVLNGTKMWISNGGEAEWVVVFATVNPELRHKGVVALVVERGTPGFKAIKIHGKMGQRASGTYELVFEDVKVPVENRLGEEGEGFKIAMQTLNKTRIPVAAGSVGVARRALDEARKYAKEREAFGEPIANFQAIQFKLVDMLIGIETARMYTYYAAWLADQGLPH-AHASAIAKAYASEIAFEAANQAIQIHGGYGYVREFPVEKLLRDVKLNQIYEGTNEIQRLIIARHIL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1UKW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -129590 for 3423 contacts (-37.9/contact) +
2D Compatibility (PS) -41394 + (NN) -23679 + (LL) 616
1D Compatibility (HY) -27600 + (ID) 7950
Total energy: -229597.0 ( -67.07 by residue)
QMean score : 0.522
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