Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLFFRRYSKYLKEHYKSFIVVLFSSLVVALSTAWGTYLVKPTLDEIFINKDTHMLKILPFLVILAYLGKSGGMYVGTYFTNFIGLDIVKKIRNAMLESLLKMEMDFFNRTKKGELIARITNDIGLIRASLSNYLSESLREGLTIVGLVGVVIYQSPKLALVGLVIMPLAAIPISKIIRKVKKLAKAHQESNAKITARLSEVFNNVEAIKISNGE---------KLEHRAFVKENEAFFKIGIKNIAVAEISSPLMEFLGSIAIALVIYLGGNEVIKGHISVGAFFSFITALFMLYTPIKRLTRIVSNFQEALVASDRIHEILEREP------AIIDGELTLDDAIHTIEFKKVWLAYALEDQERYVLSDINLKFQQNEIVALKGESGSGKSSLVNLILRLYEPSKGEIFINDQKIESITQKSLREKISVVTQRVFIFNGSVAENVAYGLE----IDEIKIKECLKKAQALDFVEKMPHGIESVLDEFGANLSGGQRQRIAIARALYKDAQVLIFDEATSALDNHTEESVKQSILELKQNRLIILISHNPSTLKLATKHVKLEHGRLIEC |
4AYX 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: 4AYX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -223248 for 3281 contacts (-68.0/contact) +
2D Compatibility (PS) -48506 + (NN) -11204 + (LL) 7792
1D Compatibility (HY) -33600 + (ID) 8150
Total energy: -316916.0 ( -96.59 by residue)
QMean score : 0.446
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