Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLFFRRYSKYLKEHYKSFIVVLFSSLVVALSTAWGTYLVKPTLDEIFINKDTHMLKILPFLVILAYLGKSGGMYVGTYFTNFIGLDIVKKIRNAMLESLLKMEMDFFNRTKKGELIARITNDIGLIRASLSNYLSESLREGLTIVGLVGVVIYQSPKLALVGLVIMPLAAIPISKIIRKVKKLAKAHQESNAKITARLSEVFNNVEAIKISNGE---------KLEHRAFVKENEAFFKIGIKNIAVAEISSPLMEFLGSIAIALVIYLGGNEVIKGHISVGAFFSFITALFMLYTPIKRLTRIVSNFQEALVASDRIHEILEREP------AIIDGELTLDDAIHTIEFKKVWLAYALEDQERYVLSDINLKFQQNEIVALKGESGSGKSSLVNLILRLYEPSKGEIFINDQKIESITQKSLREKISVVTQRVFIFNGSVAENVAYGLE----IDEIKIKECLKKAQALDFVEKMPHGIESVLDEFGANLSGGQRQRIAIARALYKDAQVLIFDEATSALDNHTEESVKQSILELKQNRLIILISHNPSTLKLATKHVKLEHGRLIEC |
3ZDQ Chain:A ((84-561)) | ------------------------------------------------------------------------------YLMQTSGQRIVNRLRTSLFSSILRQEVAFFDKTRTGELINRLSSDTALLGRSVTENLSDGLRAGAQASVGISMMFFVSPNLATFVLSVVPPVSIIAVIYGRYLRKLTKVTQDSLAQATQLAEERIGNVRTVRAFGKEMTEIEKYASKVDHVMQLARKEAFARAGF--FGATGLS-------GNLIVLSVLYKGGLLMGSAHMTVGELSSFLMYAFWVGISIGGLSSFYSELMKGLGAGGRLWELLEREPKLPFNEGVILNEKSFQGAL---EFKNVHFAYPARP-EVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHDIRQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRLMDGRTVLVIAHRLSTIKNANMVAVLDQGKITEY |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ZDQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -226859 for 3322 contacts (-68.3/contact) +
2D Compatibility (PS) -48497 + (NN) -12401 + (LL) 7792
1D Compatibility (HY) -33600 + (ID) 8150
Total energy: -321715.0 ( -96.84 by residue)
QMean score : 0.443
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