Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLFFRRYSKYLKEHYKSFIVVLFSSLVVALSTAWGTYLVKPTLDEIFINKDTHMLKILPFLVILAYLGKSGGMYVGTYFTNFIGLDIVKKIRNAMLESLLKMEMDFFNRTKKGELIARITNDIGLIRASLSNYLSESLREGLTIVGLVGVVIYQSPKLALVGLVIMPLAAIPISKIIRKVKKLAKAHQESNAKITARLSEVFNNVEAIKISNGEKLEHRAFVKENEAFFKIGIKNIAVAEISSPLMEFLGSIAIALVIYLGGNEVIKGHISVGAFFSFITALFMLYTPIKRLTRIVSNFQEALVASDRIHEILEREPAIIDGELTLDDAIHTIEFKKVWLAYALEDQERYVLSDINLKFQQNEIVALKGESGSGKSSLVNLILRLYEPSKGEIFINDQKIESITQKSLREKISVVTQRVFIFNGSVAENVAYGLEIDEI--KIKECLKKAQALDFVEKMPHGIESVLDEFGANLSGGQRQRIAIARALYKDAQVLIFDEATSALDNHTEESVKQSILELKQ--NRLIILISHNPSTLKLATKHVKLEHGRLIEC |
2IXF Chain:D ((17-236)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VKFQDVSFAYPNHPNVQ-VLQGLTFTLYPGKVTALVGPNGSGKSTVAALLQNLYQPTGGKVLLDGEPLVQYDHHYLHTQVAAVGQ--LLFGRSFRENIAYGLTRTPTMEEITAVAMESGAHDFISGFPQGYDTEVGETGNQLSGGQRQAVALARALIRKPRLLILDQATSALDAGNQLRVQRLLYESPEWASRTVLLITHQLSLAERAHHILFLKEGSVCEQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IXF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -119552 for 1656 contacts (-72.2/contact) +
2D Compatibility (PS) -22518 + (NN) -2319 + (LL) 29444
1D Compatibility (HY) -17600 + (ID) 3500
Total energy: -136045.0 ( -82.15 by residue)
QMean score : 0.582
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