Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ----------------MSKQILVLPGDGIGPEIMAEAVKVLELANDRFQLGFELAEDVIGGAAIDK-HGVPLADQTLQRARQADAVLLGAVGGPKWDRIERDIRPERGLLKIRSQLGLFANLRPAILYPQLAAASSLKPEVVAGLDILIVRELTGGIYFGQPREQRVLENGERQAYDTLPYSESEIRRIARVGFDMARVRNN-RLCSVDKANVL-ASSQLWREVVEEVAKDYPDVELSHMYVDNAAMQLVRAPKQFDVMVTDNMFGDILSDEASMLTGSIGMLPSASLDANNKGMYEPCHGSAPDIAGQGIANPLATILSVSMMLRYSFSQATAADAIEQAVSKVLDQG-LRTGDIWSEGCRKVGTREMGDAVVAALKNL------------------------------------------------------------------------------------------------------------------------------------------ |
2D1C Chain:A ((2-496)) | PLITTETGKKMHVLEDGRKLITVIPGDGIGPECVEATLKVLEAAK----APLAYEVREAGASVFRRGIASGVPQETIESIRKTRVVLKGPLETPVGYG------EKSANVTLRKLFETYANVRPVREFPNVPTPYAGR-----GIDLVVVRENVEDLYAGI---EHMQTPSVAQTLKLI--SWKGSEKIVRFAFELARAEGRKKVHCATKSNIMKLAEGTLKRAFEQVAQEYPDIEAVHIIVDNAAHQLVKRPEQFEVIVTTNMNGDILSDLTSGLIGGLGFAPSANI-GNEVAIFEAVHGSAPKYAGKNVINPTAVLLSAVMMLRY-LEEFATADLIENALLYTLEEGRVLTGDVVGYD-RGAKTTEYTEAIIQNLGKTPRKTQVRGYKPFRLPQVDGAIAPIVPRSRRVVGVDVFVETNLLPEALGKALEDLAAGTPFRLKMISNRGTQVYPPTGGLTDLVDHYRCRFLYTGEGEAKDPEILDLVSRVASRFRWMHLEKLQEFDGEPGFTKAQGED |
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General information:
TITO was launched using:
| RESULT:
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Template: 2D1C.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177131 for 3023 contacts (-58.6/contact) +
2D Compatibility (PS) -36432 + (NN) -10521 + (LL) 1372
1D Compatibility (HY) -20400 + (ID) 5800
Total energy: -248912.0 ( -82.34 by residue)
QMean score : 0.533
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