Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKVLVIGSGGREHAL-LWTLKKSPILTELYIT-PGRPAMGNLG--VLVNINIQNSIDMTRFCKRENIELVIIGPEQPIIDGLADNLVAEGINVFAPSQAAAKLEASKSFTKGICKQYGIPTAKYECFVDERLAKSFVRSNKIKFP-LVVKANGIAAGKGVIVCNTENEAFSAIDSMLVEKKFGESGEEIIIEEFLVGEEVSFFALVDGLKVVTLGCAKDYKRVDENNDSRNTGGMGSYSSPSIISKDMEQKIIQRI-IYPTIQALANMGTPYRGVLFAGLITCKDSPKLLEYNVRFGDPEAQSMLPRFDASCDLLELMLSVAKGKLSAKTVEL-NSKATVCVVVASKGYPGDYQKGEIIKGLAKIESIPGVLVFHAGTKLDESGNWVSDGGRVLNIVGEGNTLEEAKSKVYSALNFLEWPGGFFRYDIGS |
2QK4 Chain:A ((25-445)) | ARVLIIGSGGREHTLAWKLAQSHH--VKQVLVAPGNAGTACSEKISNTAISISDHTALAQFCKEKKIEFVVVGPEAPLAAGIVGNLRSAGVQCFGPTAEAAQLESSKRFAKEFMDRHGIPTAQWKAFTKPEEACSFILSA--DFPALVVKASGL---KGVIVAKSKEEACKAVQEIMQE-------ETIVIEELLDGEEVSCLCFTDGKTVAPMPPAQDHKRLLEGDGGPNTGGMGAYCPAPQVSNDLLLKI-KDTVLQRTVDGMQQEGTPYTGILYAGIMLTKNGPKVLEFNCRFGDPECQ-VILPLL-KSDLYEVIQSTLDGLLCTSLPVWLENHTALTVVMASKGYPGDYTKGVEITGFPEAQALG-LEVFHAGTALKNGK-VVTHGGRVLAVTAIRENLISALEEAKKGLAAIKFEGAIYRKDIGF |
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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) -257359 for 3515 contacts (-73.2/contact) +
2D Compatibility (PS) -45270 + (NN) -28277 + (LL) 824
1D Compatibility (HY) -27200 + (ID) 8000
Total energy: -365282.0 ( -103.92 by residue)
QMean score : 0.493
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