Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKKSRFDQFGFQPFIGLAIDKLGFYEPTEVQQKLIPGILKGESIIGQSQTGTGKTHTFILPIINNVNPEKDAVQAVITAPSRELATQIYNEIRKVTKYSEKEIAVQLVIGGTDKQRAIDKLKKQPQIIVGTPGRINDLIREQALFVHTAKTLVIDEADMTLDMGFLNDVDHIAGKMPANLQMLVFSATIPQKLKPFLSKYMENPRYEHIQPKVAASKTVEHRIMATRSRNKLDLLKNVLVGSQPYLAIVFTNTKTTADEVANGLIERGLKVAKIHGDVNPRERKRTMKQIENLDYQYVVATDLAARGIDIQGISHVVNYELPDDLDFYIHRTGRTGRAGHSGIALTLFEPADEDRLNQLEK-MGIEFKHVDWKNKEFVTLEDRNRRAKREAKRETADPREIGMRKKAKQKGKPNYKKKINYKMNEIKRRERRKKR |
4BRU Chain:A ((3-364)) | ------FEDFYLKRELLMGIFEAGFEKPSPIQEEAIPVAITGRDILARAKNGTGKTAAFVIPTLEKVKPKLNKIQALIMVPTRELALQTSQVVRTLGKHCG--ISCMVTTGGTNLRDDILRLNETVHILVGTPGRVLDLASRKVADLSDCSLFIMDEADKMLSRDFKTIIEQILSFLPPTHQSLLFSATFPLTVDEFMDKHLHKP-YEINLMEELTLKGITQYYAFVEERQKLHCLNTLFSKLQINQAIIFCNSTNRVELLAKKITDLGYSCYYSHARMKQQERNKVFHEFRQGKVRTLVCSDLLTRGIDIQAVNVVINFDFPKTAETYLHRIGRSGRFGHLGLAINLINWNDRFNLYKIEQELGTEIAAI----------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4BRU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -211604 for 2956 contacts (-71.6/contact) +
2D Compatibility (PS) -38347 + (NN) -13818 + (LL) 5096
1D Compatibility (HY) -22800 + (ID) 5500
Total energy: -286973.0 ( -97.08 by residue)
QMean score : 0.524
|
|
|