Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALLEIIHYPSKILRTISKEVVSFDSKLHQQLDDMHETMIASEGIGLAAIQVGLPLRMLIINLPQEDGVQHKEDCLEIINPKWIETKGSIMYREGCLSVPGFYEEVERFEKVKIEYQNRFAEVKILEASELLAVAIQHEIDHLNGVLFVDKLSILKRKKFEKELKELQKKQKHK
1BS6 Chain:B ((1-163))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSE-----NRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKARA
General information:
TITO was launched using:
RESULT:
Template:
1BS6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85220 for 1266 contacts (-67.3/contact) +
2D Compatibility (PS) -17359 + (NN) -3792 + (LL) 376
1D Compatibility (HY) -13600 + (ID) 3350
Total energy: -122945.0 ( -97.11 by residue)
QMean score : 0.479
(partial model without unconserved sides chains):
PDB file :
Tito_1BS6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1BS6-query.scw
PDB file :
Tito_Scwrl_1BS6.pdb
: