Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLFDYAPLSLAWREFLQ----SEFKKPYFLEIEKRYLEALKSPKTIFPKSSNLFCAFNLTPPYAVKIILLGQDPYHSTYLENEQELPVAMGLSFSVEKNAPIPPSLKNIFKELHANL-GVPVPCCGDLSAWAKRGMLLLNAILSVEKNQAASH-KYIGWEAFSDQILIRLFETT-TPLIVVLLGKVAQKKIALIPKNKHIIITAPHPSPLS--RGFLGSGVFTSVQKAYREVYRKDFDFSL
3CXM Chain:A ((40-252))
------------WRDFLAPITADSWRKGAFIRIERFLDEEKEKGRVILPPAADIFNAFNSCPFRGLKVVLLGQDPYH--------DLHQAHGLCFSVLPEVPLPPSLRNIYKELTTDIAGFQAPKHGYLQSWSEQGMLMLNATLTVEAHKANSHSKTSGWAAFTDAVIQHLSQHHPNRLVFLLWGGYAQQKKRLIDANRHVVLENVHPSPLSANRGWFGCRCFSACNEALQRMSHLPMHWQL
General information:
TITO was launched using:
RESULT:
Template:
3CXM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139230 for 1568 contacts (-88.8/contact) +
2D Compatibility (PS) -22165 + (NN) -10345 + (LL) 1608
1D Compatibility (HY) -18400 + (ID) 4350
Total energy: -192882.0 ( -123.01 by residue)
QMean score : 0.611
(partial model without unconserved sides chains):
PDB file :
Tito_3CXM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CXM-query.scw
PDB file :
Tito_Scwrl_3CXM.pdb
: