Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VAKEYAQDTAVIKASLGIDKETGALNTPIHLSSTFHQHDFDNYHAYDYARSGNPTREKVEQAIAELEGGTNGFAFASGMAAVSAALFTLSKGDHFIIAKDVYGGTFRLVEQVLPRFGITHTFVDTTNIDEVAKAFQANTKLVYLETPSNPLLHVTDIRTVAKLAKANGCYTFVDNTFLTPLIQKPLELGADLVIHSATKFLGGHSDILAGLIVTNNPNLAEAVYFLQNSTGGVLGVQDSWLLLRGLKTLSVRMKAGTETAEKIALFLNAEPDVVAVHYPGLPSHAGYDIQVEQATSGGAVLSFDLGSEEAVRELVTHLELPVFSVSLGAVESILSYPAKMSHAAVPEEERLAQGITPGLLRFSAGLEDAEDLIADLKQALSFIKKGSVAK |
1IBJ Chain:A ((103-459)) | -----------------------AMSTPLYQTATFKQPSAIENGPYDYTRSGNPTRDALESLLAKLDKADRAFCFTSGMAALSAVTHLIKNGEEIVAGDDVYGGSDRLLSQVVPRSGVVVKRVNTTKLDEVAAAIGPQTKLVWLESPTNPRQQISDIRKISEMAHAQGALVLVDNSIMSPVLSRPLELGADIVMHSATKFIAGHSDVMAGVLAVKGEKLAKEVYFLQNSEGSGLAPFDCWLCLRGIKTMALRIEKQQENARKIAMYLSSHPRVKKVYYAGLPDHPGHHLHFSQAKGAGSVFSFITGSVALSKHLVETTKYFSIAVSFGSVKSLISMPCFMSHASIPAEVREARGLTEDLVRISAGIEDVDDLISDLDIAF---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1IBJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -223284 for 3180 contacts (-70.2/contact) +
2D Compatibility (PS) -39392 + (NN) -24072 + (LL) 2372
1D Compatibility (HY) -31200 + (ID) 8150
Total energy: -323726.0 ( -101.80 by residue)
QMean score : 0.492
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