Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKYTQLFISVIALVISLFAGYKVVKHQPQSVLNIKVAIIDSDKVINESLALHNIQQQIKEQNSKLQQEFENELDKLKPSKEELEL----LSEEAKKERAEQFNKLALNARDNYTKKMSYLEESYRDAVDSVFNKIKEVAKKTAEKNNIDLVLFISKKNQVLY-SMNEI-DLSDVVLKNINKEIPEFTLKGVN----
4KQT Chain:A ((15-183))
----------------------LYFQGTHGPALPGVCIFSSPRAVGSSLVGKAVDARLKTIIQQVNAELTGERTALDNEAKALDAKKTTIAQDALEQQAATLQAKANAWQRKGQLRQKEVEATEQKALSRVYQELNTPIQQVYQAQKCSVLLD-----REAVMLANPAMDITDAVVAALDARIKTLTFDRERLDQQ
General information:
TITO was launched using:
RESULT:
Template:
4KQT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -22489 for 958 contacts (-23.5/contact) +
2D Compatibility (PS) -17105 + (NN) -6905 + (LL) 2764
1D Compatibility (HY) -4400 + (ID) 1150
Total energy: -49285.0 ( -51.45 by residue)
QMean score : 0.611
(partial model without unconserved sides chains):
PDB file :
Tito_4KQT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KQT-query.scw
PDB file :
Tito_Scwrl_4KQT.pdb
: