Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLFFRRYSKYLKEHYKSFIVVLFSSLVVALSTAWGTYLVKPTLDEIFINKDTHMLKILPFLVILAYLGKSGGMYVGTYFTNFIGLDIVKKIRNAMLESLLKMEMDFFNRTKKGELIARITNDIGLIRASLSNYLSESLREGLTIVGLVGVVIYQSPKLALVGLVIMPLAAIPISKIIRKVKKLAKAHQESNAKITARLSEVFNNVEAIKISNGE---------KLEHRAFVKENEAFFKIGIKNIAVAEISSPLMEFLGSIAIALVIYLGGNEVIKGHISVGAFFSFITALFMLYTPIKRLTRIVSNFQEALVASDRIHEILEREP------AIIDGELTLDDAIHTIEFKKVWLAYALEDQERYVLSDINLKFQQNEIVALKGESGSGKSSLVNLILRLYEPSKGEIFINDQKIESITQKSLREKISVVTQRVFIFNGSVAENVAYGLE----IDEIKIKECLKKAQALDFVEKMPHGIESVLDEFGANLSGGQRQRIAIARALYKDAQVLIFDEATSALDNHTEESVKQSILELKQNRLIILISHNPSTLKLATKHVKLEHGRLIEC |
4AYW Chain:A ((115-592)) | ------------------------------------------------------------------------------YLMQTSGQRIVNRLRTSLFSSILRQEVAFFDKTRTGELINRLSSDTALLGRSVTENLSDGLRAGAQASVGISMMFFVSPNLATFVLSVVPPVSIIAVIYGRYLRKLTKVTQDSLAQATQLAEERIGNVRTVRAFGKEMTEIEKYASKVDHVMQLARKEAFARAGF--FGATGLS-------GNLIVLSVLYKGGLLMGSAHMTVGELSSFLMYAFWVGISIGGLSSFYSELMKGLGAGGRLWELLEREPKLPFNEGVILNEKSFQGAL---EFKNVHFAYPARP-EVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHDIRQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDE----LDAENEYLVQEALDRLMDGRTVLVIAHHLSTIKNANMVAVLDQGKITEY |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AYW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -223626 for 3221 contacts (-69.4/contact) +
2D Compatibility (PS) -48294 + (NN) -13688 + (LL) 8104
1D Compatibility (HY) -33600 + (ID) 7950
Total energy: -319054.0 ( -99.05 by residue)
QMean score : 0.439
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