Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKVLVIGSGGREHALLWTLKKSPILTELYITPGRPAMGNLGVLVNINIQNSIDMTRFCKRENIELVIIGPEQPIIDGLADNLVAEGINVFAPSQAAAKLEASKSFTKGICKQYGIPTAKYECFVDERLAKSFVRSNKIKFPLVVKANGIAAGKGVIVCNTENEAFSAIDSMLVEKKFGESGEEIIIEEFLVGEEVSFFALVDGLKVVTLGCAKDYKRVDENNDSRNTGGMGSYSSPSIISKDMEQKIIQRIIYPTIQALANMGTPYRGVLFAGLITCKDSPKLLEYNVRFGDPEAQSMLPRFDASCDLLELMLSVAKGKLSAKTVELNSKATVCVVVASKGYPGDYQKGEIIKGLAKIESIPGVLVFHAGTKLDESGNWVSDGGRVLNIVGEGNTLEEAKSKVYSALNFLEWPGGFFRYDIGS |
2YRW Chain:A ((22-434)) | MNVLVIGRGGREHAIAWKAAQSPLVGKLYVAPGNPGIADVAELVHIDELDIEALVQFAKQQAIDLTIVGPEAPLASGIVDRFMAEGLRIFGPSQRAALIEGSKAFAKELMKKYGIPTADHAAFTSYEEAKAYIEQKGA--PIVIKAD------GVTVAQTVEEALAAAKAALVDGQFGTAGSQVVIEEYLEGEEFSFMAFVNGEKVYPLAIAQDHKRAYDGDEGPNTGGMGAYSPVPQISDEMMDAALEAILRPAAKALAAEGRPFLGVLYAGLMATANGPKVIEFNARFGDPEAQVVLPRL--KTDLVEAVLAVMDGK--ELELEWTDEAVLGVVLAAKGYPGAYERGAEIRGLDRIS--PDALLFHAGTK-REGGAWYTNGGRVLLLAAKGETLAKAKEKAYEQLAAIDCDGLFYRRDIGR |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YRW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -290270 for 3663 contacts (-79.2/contact) +
2D Compatibility (PS) -44801 + (NN) -23242 + (LL) 976
1D Compatibility (HY) -31200 + (ID) 9250
Total energy: -397787.0 ( -108.60 by residue)
QMean score : 0.565
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