Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALLEIIHYPSKILRTISKEVVSFDSKLHQQLDDMHETMIASEGIGLAAIQVGLPLRMLIINLPQEDGVQHKEDCLEIINPKWIETKGSIMYREGCLSVPGFYEEVERFEKVKIEYQNRFAEVKILEASELLAVAIQHEIDHLNGVLFVDKLSILKRKKFEKELKELQKKQKHK
1BS4 Chain:A ((1-168))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSEN-----RDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKARA
General information:
TITO was launched using:
RESULT:
Template:
1BS4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79267 for 1285 contacts (-61.7/contact) +
2D Compatibility (PS) -18209 + (NN) -7093 + (LL) 316
1D Compatibility (HY) -13600 + (ID) 3350
Total energy: -121203.0 ( -94.32 by residue)
QMean score : 0.499
(partial model without unconserved sides chains):
PDB file :
Tito_1BS4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1BS4-query.scw
PDB file :
Tito_Scwrl_1BS4.pdb
: