Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKKSRFDQFGFQPFIGLAIDKLGFYEPTEVQQKLIPGILKGESIIGQSQTGTGKTHTFILPIINNVNPEKDAVQAVITAPSRELATQIYNEIRKVTKYSEKEIAVQLVIGGTDKQRAIDKLKKQPQIIVGTPGRINDLIREQALFVHTAKTLVIDEADMTLDMGFLNDVDHIAGKMPANLQMLVFSATIPQKLKPFLSKYMENPRYEHIQPKVAASKTVEHRIMATRSRNKLDLLKNVLVGSQPYLAIVFTNTKTTADEVANGLIERGLKVAKIHGDVNPRERKRTMKQIENLDYQYVVATDLAARGIDIQGISHVVNYELPDDLDFYIHRTGRTGRAGHSGIALTLFEPADEDRLNQLEK-MGIEFKHVDWKNKEFVTLEDRNRRAKREAKRETADPREIGMRKKAKQKGKPNYKKKINYKMNEIKRRERRKKR |
1S2M Chain:A ((46-409)) | ----NTFEDFYLKRELLMGIFEAGFEKPSPIQEEAIPVAITGRDILARAKNGTGKTAAFVIPTLEKVKPKLNKIQALIMVPTRELALQTSQVVRTLGKHCG--ISCMVTTGGTNLRDDILRLNETVHILVGTPGRVLDLASRKVADLSDCSLFIMDEADKMLSRDFKTIIEQILSFLPPTHQSLLFSATFPLTVKEFMVKHLHKP-YEINLMEELTLKGITQYYAFVEERQKLHCLNTLFSKLQINQAIIFCNSTNRVELLAKKITDLGYSCYYSHARMKQQERNKVFHEFRQGKVRTLVCSDLLTRGIDIQAVNVVINFDFPKTAETYLHRIGRSGRFGHLGLAINLINWNDRFNLYKIEQELGTEIAAI----------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1S2M.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -235313 for 3038 contacts (-77.5/contact) +
2D Compatibility (PS) -39243 + (NN) -17983 + (LL) 5024
1D Compatibility (HY) -22800 + (ID) 5550
Total energy: -315865.0 ( -103.97 by residue)
QMean score : 0.559
|
|
|