Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKVLVIGSGGREHALLWTLKKSPILTELYITPGRPAMGNLGVLVNINIQNSIDMTRFCKRENIELVIIGPEQPIIDGLADNLVAEGINVFAPSQAAAKLEASKSFTKGICKQYGIPTAKYECFVDERLAKSFVRSNKIKFPLVVKANGIAAGKGVIVCNTENEAFSAIDSMLVEKKFGESGEEIIIEEFLVGEEVSFFALVDGLKVVTLGCAKDYKRVDENNDSRNTGGMGSYSSPSIISKDMEQKIIQRIIYPTIQALANMGTPYRGVLFAGLITCKDSPKLLEYNVRFGDPEAQSMLPRFDASCDLLELMLSVAKGKLSAKTVELNSKATVCVVVASKGYPGDYQKGEIIKGLAKIESIPGVLVFHAGTKLDESGNWVSDGGRVLNIVGEGNTLEEAKSKVYSALNFLEWPGGFFRYDIGS |
2XCL Chain:A ((3-414)) | --VLIIGKGGREHTLAWKAAQSSLVENVFAAPGNDGMAASAQLVNIEESDHAGLVSFAKQNQVGLTIVGPEVPLIEGLVDEFEKAGLHVFGPSKAAAIIEGSKQFAKDLMKKYDIPTAEYETFTSFDEAKAYVQEKGA--PIVIKADGLAAGKGVTVAMTEEEAIACLHDFLEDEKFGDASASVVIEEYLSGEEFSLMAFVKGEKVYPMVIAQDHKRAFDGDKGPNTGGMGAYSPVPQISEETVRHAVETIVKPAAKAMVQEGRSFTGVLYAGLMLTENGSKVIEFNARFGDPETQVVLPRMESDL----VQVLLDLLDDKEVDLRWKDTAAVSVVLASEGYPESYAKGTPIGSLAA--ETEQVVVFHAGTKA-EGGEFVTNGGRVANVTAFDETFEAARDRVYKAVDEIFKPGLFFRKDIGA |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XCL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -269370 for 3762 contacts (-71.6/contact) +
2D Compatibility (PS) -44726 + (NN) -20685 + (LL) 1080
1D Compatibility (HY) -28800 + (ID) 8550
Total energy: -371051.0 ( -98.63 by residue)
QMean score : 0.499
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