Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
3KCE Chain:A ((10-167))
-----KLPPGWEKAMSRSSGRVYYFNHITNASQWERPS------------EPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
General information:
TITO was launched using:
RESULT:
Template:
3KCE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -25250 for 1108 contacts (-22.8/contact) +
2D Compatibility (PS) -15713 + (NN) -10321 + (LL) -436
1D Compatibility (HY) -15600 + (ID) 7250
Total energy: -74570.0 ( -67.30 by residue)
QMean score : 0.555
(partial model without unconserved sides chains):
PDB file :
Tito_3KCE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KCE-query.scw
PDB file :
Tito_Scwrl_3KCE.pdb
: