Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKQILVLPGDGIGPEIMAEAVKVLELANDRFQLGFELAEDVIGGAAIDKHGVPLADQTLQRARQADAVLLGAVGGPKWDRIERDIRPERGLLKIRSQLGLFANLRPAILYPQLAAASSLKPEVVAGLDILIVRELTGGIYFGQPREQRVLENGERQAYDTLPYSESEIRRIARVGFDMARVRNNRLCSVDKANVLASSQLWREVVEEVAKDYPDVELSHMYVDNAAMQLVRAPKQFDVMVTDNMFGDILSDEASMLTGSIGMLPSASLDANNKGMYEPCHGSAPDIAGQGIANPLATILSVSMMLRYSFSQATAADAIEQAVSKVLDQGLRTGDIWSEGCRKVGTREMGDAVVAALKNL |
3U1H Chain:A ((3-355)) | --KKIAVLPGDGIGPEVMEAAIEVLKAVAERFGHEFEFEYGLIGGAAIDEAGTPLPEETLDVCRGSDAILLGAVGGPKWDQNPSELRPEKGLLGIRKGLDLFANLRPVKVYDSLADASPLKKEVIEGVDLVIVRELTGGLYF---------EEGEEAAVDTLLYTREEIERIIRKAFELALTRKKKVTSVDKANVLESSRLWREVAEEVAKEYPDVELEHMLVDNAAMQLIRNPRQFDVIVTENMFGDILSDEASMITGSLGMLPSASLSTDGLGLYEPVHGSAPDIAGKGIANPLATILSAAMMLRYSFGLEEEAKAIEKAVEKVLAEGYRTADIAKPGGKYVSTTEMTDEVKAAV--- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3U1H.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -216994 for 3009 contacts (-72.1/contact) +
2D Compatibility (PS) -37485 + (NN) -15903 + (LL) 940
1D Compatibility (HY) -36800 + (ID) 11050
Total energy: -317292.0 ( -105.45 by residue)
QMean score : 0.604
|
|
|