Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALLEIIHYPSKILRTISKEVVSFDSKLHQQLDDMHETMIASEGIGLAAIQVGLPLRMLIINLPQEDGVQHKEDCLEIINPKWIETKGSIMYREGCLSVPGFYEEVERFEKVKIEYQNRFAEVKILEASELLAVAIQHEIDHLNGVLFVDKLSILKRKKFEKELKELQKKQKHK
2AI8 Chain:B ((1-163))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSE-----NRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRL----
General information:
TITO was launched using:
RESULT:
Template:
2AI8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -83047 for 1265 contacts (-65.6/contact) +
2D Compatibility (PS) -17555 + (NN) -4770 + (LL) 668
1D Compatibility (HY) -13600 + (ID) 3350
Total energy: -121654.0 ( -96.17 by residue)
QMean score : 0.448
(partial model without unconserved sides chains):
PDB file :
Tito_2AI8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AI8-query.scw
PDB file :
Tito_Scwrl_2AI8.pdb
: