Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MHKRLNKLLVANRGEIAVRIIRAAQALGIPTVAVCSEADRDSLAARLADEVRL-I-GPARADRSYLDIEAILMAARETGADSIHPGYGFLSENPAFAEAVQAAGLVFVGPEAQTIRRMGDKAEARRTAMAAGVP-VVPGSPGELGDLDAALACAEEVGYPLLVKASAGGGGRGIRIAHDADELRREFPIAQREAQAAFGSPAVYLERFIRQARHIEVQILGDGE-RAVHLFERECSLQRRRQKVFEEAPSAALDGAQRQALCESAVRLAQSLGYRGAGTLEYLFDAHSGEFFFIEMNTRIQVEHPVSEMVTGIDLVQAMLRIAAGEALPWRQEDIRLNGAALEMRINAEDPARNFFPSPGTVERLEWPQGEGVRVDSHLYPGYRVPPYYDSLLAKLIVHGRDRDEAFARARQALERTVLAGMATTLPLHRWLLADARVQAAQFDTATLETWLAERTAAAQEV |
3VA7 Chain:A ((28-471)) | -KKPFETVLIANRGEIAVRIMKTLKRMGIKSVAVYSDPDKYSQHVTDADFSVALHGRTA--AETYLDIDKIINAAKKTGAQAIIPGYGFLSENADFSDRCSQENIVFVGPSGDAIRKLGLKHSAREIAERAKVPLVP-------------------------------------------------------------------------NARHVEIQMMGDGFGKAIAIGERDCSLQRRNQKVIEETPAPNLPEATRAKMRAASERLGSLLKYKCAGTVEFIYDEQRDEFYFLEVNARLQVEHPITEMVTGLDLVEWMLRIAANDSPDFDNTKIEVSGASIEARLYAENPVKDFRPSPGQLTSVSFPS--WARVDTWVKKGTNVSAEYDPTLAKIIVHGKDRNDAIMKLNQALNETAVYGCITNIDYLRSIASSKMFKEAKVATKVLDSFDYKPCAFEVLA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VA7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -201448 for 3275 contacts (-61.5/contact) +
2D Compatibility (PS) -40052 + (NN) -14636 + (LL) 4484
1D Compatibility (HY) -29200 + (ID) 8050
Total energy: -288902.0 ( -88.21 by residue)
QMean score : 0.485
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