Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDIKACYQNAQALLEGHFLLSSGFHSNYYLQSAKVLEDPKLAEQLALELAKQIQEAHLNIECVCSPAIGGILAGYELARAL------GVRFIFTERVDNTMTLRRGFEVKKNEKILVCEDIITTGKSAMECAKVLEEKGAQIVAFGALANRGICKRAHSHLKAQEGACLP-S-HLPLFALEDFVFDMHKPSSCPLCATSVAIKPGSRGN
3MJD Chain:A ((24-213))
AMFIEFALKNQVLKFGEFTLKSGRISPYFFNAGLF-NTGAQLATLADYYAQLIIKSDVKYDILFGPAYKGIPLVAAISTVLALKYNIDMPYAFDRKE----GVFVGA-DMTNKKVLLIDDVMTAGTAFYESYNKLKIINAKIAGVVLSIDRQEKAKD---SDISATKKISQDFNIPVLAVTNFESIFEYVKENLDETMIDKFKQYRQKY
General information:
TITO was launched using:
RESULT:
Template:
3MJD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93724 for 1368 contacts (-68.5/contact) +
2D Compatibility (PS) -18635 + (NN) -4951 + (LL) 444
1D Compatibility (HY) -7600 + (ID) 1700
Total energy: -126166.0 ( -92.23 by residue)
QMean score : 0.473
(partial model without unconserved sides chains):
PDB file :
Tito_3MJD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MJD-query.scw
PDB file :
Tito_Scwrl_3MJD.pdb
: