Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALLEIIHYPSKILRTISKEVVSFDSKLHQQLDDMHETMIASEGIGLAAIQVGLPLRMLIINLPQEDGVQHKEDCLEIINPKWIETKGSIMYREGCLSVPGFYEEVERFEKVKIEYQNRFAEVKILEASELLAVAIQHEIDHLNGVLFVDKLSILKRKKFEKELKELQKKQKHK
4AL2 Chain:B ((1-163))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSE-----NRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKAR-
General information:
TITO was launched using:
RESULT:
Template:
4AL2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91379 for 1260 contacts (-72.5/contact) +
2D Compatibility (PS) -17469 + (NN) -4340 + (LL) 440
1D Compatibility (HY) -13600 + (ID) 3350
Total energy: -129698.0 ( -102.93 by residue)
QMean score : 0.462
(partial model without unconserved sides chains):
PDB file :
Tito_4AL2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AL2-query.scw
PDB file :
Tito_Scwrl_4AL2.pdb
: