Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALLEIIHYPSKILRTISKEVVSFDSKLHQQLDDMHETMIASEGIGLAAIQVGLPLRMLIINLPQEDGVQHKEDCLEIINPKWIETKGSIMYREGCLSVPGFYEEVERFEKVKIEYQNRFAEVKILEASELLAVAIQHEIDHLNGVLFVDKLSILKRKKFEKELKELQKKQKHK
3K6L Chain:A ((2-164))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSE-----NRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRL----
General information:
TITO was launched using:
RESULT:
Template:
3K6L.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85958 for 1248 contacts (-68.9/contact) +
2D Compatibility (PS) -17404 + (NN) -4155 + (LL) 668
1D Compatibility (HY) -13600 + (ID) 3350
Total energy: -123799.0 ( -99.20 by residue)
QMean score : 0.455
(partial model without unconserved sides chains):
PDB file :
Tito_3K6L.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K6L-query.scw
PDB file :
Tito_Scwrl_3K6L.pdb
: