Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLLVVGSGGREHAIAKKLLASKDVDQVFVAPGNDGMTL-DGLDLVNIGISEHSRLIDFAKENEIAWTFIGPDDALAAGIVDDFNSAGLRAFGPTKAAAELEWSKDFAKEIMVKYNVPTAAYGTFSDFEKAKAYIEEQGAP-IVVKADGLALGKGVVVAETVEQAVEAAQEMLLDNKFGDSGARVVIEEFLDGEEFSLFAFANGDKFYIMPTAQDHKRAFDGDKGPNTGGMGAYAPVPHLPQSVVDTAVETIIKPVLEGMIAEGRPYLGVLYAGLILTADGPKVIEFNSRFGDPETQIILPRLTSDFAQNIDDIMMGI--EPYITWQKDGVTLGVVVASEGYPLDYEKGVPL---PEKTDGDIITYYAGAKFAENSKALLSNGGRVYMLVTTEGSVKAGQDKIYTQLAQQDTTGLFYRNDIGSKAIK |
2QK4 Chain:A ((26-448)) | -RVLIIGSGGREHTLAWKLAQSHHVKQVLVAPGNAGTACSEKISNTAISISDHTALAQFCKEKKIEFVVVGPEAPLAAGIVGNLRSAGVQCFGPTAEAAQLESSKRFAKEFMDRHGIPTAQWKAFTKPEEACSFILSADFPALVVKASGL---KGVIVAKSKEEACKAVQEIMQE-------ETIVIEELLDGEEVSCLCFTDGKTVAPMPPAQDHKRLLEGDGGPNTGGMGAYCPAPQVSNDLLLKIKDTVLQRTVDGMQQEGTPYTGILYAGIMLTKNGPKVLEFNCRFGDPECQVILPLLKSDLYEVIQSTLDGLLCTSLPVWLENHTALTVVMASKGYPGDYTKGVEITGFPEAQALGLEVFHAGTAL-KNGK-VVTHGGRVLAVTAIRENLISALEEAKKGLAAIKFEGAIYRKDIGFRAIA |
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General information:
TITO was launched using:
| RESULT:
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Template: 2QK4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -239885 for 3572 contacts (-67.2/contact) +
2D Compatibility (PS) -45159 + (NN) -25259 + (LL) 312
1D Compatibility (HY) -31600 + (ID) 9200
Total energy: -350791.0 ( -98.21 by residue)
QMean score : 0.565
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