Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTTTTTTISGGILPKEYQDLRDTVADFARTVVAPVSAKHDAEHSFPYEIVAKMGEMGLFGLPFPEEYGGMGGDYFALSLVLEELGKVDQSVAITLEAAVGLGAMPIYRFGTEEQKQKWLPDLTSGRALAGFGLTEPGAGSDAGSTRTTARLEGDEWIINGSKQFITNSGTDITSLVTVTAVTGTTGTAADAKKEISTIIVPSGTPGFTVEPVYNKVGWNASDTHPLTFADARVPRENLLGARGSGYANFLSILDEGRIAIAALATGAAQGCVDESVKYANQRQSFGQPIGAYQAIGFKIARMEARAHVARTAYYDAAAKMLAGKPFKKEAAIAKMISSEAAMDNSRDATQIHGGYGFMNEYPVARHYRDSKVLEIGEGTTEVQLMLIARSLGLQ |
1UKW Chain:B ((5-376)) | ------------LTEEQRQLQALARRFAKEVILPVAQEYDEKEEVPWPVIEKLHEVGLLNAIIPEEYGGMGLKMLDEVIVGEELAYACMGI-YTIPMASDLGITPVLLAGTEEQKERFLRPLTEKPALAAFALSEPGNGSDAAALKTRAIRQGDHYVLNGTKMWISNGGE--AEWVVVFA----TVNPELRHKGVVALVVERGTPGFKAIKIHGKMGQRASGTYELVFEDVKVPVENRLGEEGEGFKIAMQTLNKTRIPVAAGSVGVARRALDEARKYAKEREAFGEPIANFQAIQFKLVDMLIGIETARMYTYYAAWLADQGLPHAHASAIAKAYASEIAFEAANQAIQIHGGYGYVREFPVEKLLRDVKLNQIYEGTNEIQRLIIARHI--- |
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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) -111288 for 3408 contacts (-32.7/contact) +
2D Compatibility (PS) -41345 + (NN) -24478 + (LL) 1076
1D Compatibility (HY) -23200 + (ID) 7450
Total energy: -206685.0 ( -60.65 by residue)
QMean score : 0.497
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