Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLFDYAPLSLAWREFLQSE----FKKPYFLEIEKRYLEALKS-PKTIFPKSSNLFCAFNLTPPYAVKIILLGQDPYHSTYLENEQELPVAMGLSFSVEKNAPIPPSLKNIFKELHANL-GVPVPCCGDLSAWAKRGMLLLNAILSVEKNQAASHKY-IGWEAFSDQILIRLFETT-TPLIVVLLGKVAQKKIALIPKNKHIIITAPHPSPLSRG--FLGSGVFTSVQKAYREVYRKDFDFSL
3CXM Chain:A ((33-261))
-----GLITNPEWRDFLAPITADSWRKGAFIR-IERFLDEEKEKGRVILPPAADIFNAFNSCPFRGLKVVLLGQDPYHDLH--------QAHGLCFSVLPEVPLPPSLRNIYKELTTDIAGFQAPKHGYLQSWSEQGMLMLNATLTVEAHKANSHSKTSGWAAFTDAVIQHLSQHHPNRLVFLLWGGYAQQKKRLIDANRHVVLENVHPSPLSANRGWFGCRCFSACNEALQRMSHLPMHWQL
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) -137316 for 1761 contacts (-78.0/contact) +
2D Compatibility (PS) -23944 + (NN) -12481 + (LL) 1272
1D Compatibility (HY) -17600 + (ID) 4200
Total energy: -194269.0 ( -110.32 by residue)
QMean score : 0.572
(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
: