Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALLEIIHYPSKILRTISKEVVSFDSKLHQQLDDMHETMIASEGIGLAAIQVGLPLRMLIINLPQEDGVQHKEDCLEIINPKWIETKGSIMYREGCLSVPGFYEEVERFEKVKIEYQNRFAEVKILEASELLAVAIQHEIDHLNGVLFVDKLSILKRKKFEKELKELQKKQKHK
4AL3 Chain:A ((1-162))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSE-----NRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLD------
General information:
TITO was launched using:
RESULT:
Template:
4AL3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85909 for 1244 contacts (-69.1/contact) +
2D Compatibility (PS) -17172 + (NN) -3258 + (LL) 796
1D Compatibility (HY) -13600 + (ID) 3350
Total energy: -122493.0 ( -98.47 by residue)
QMean score : 0.443
(partial model without unconserved sides chains):
PDB file :
Tito_4AL3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AL3-query.scw
PDB file :
Tito_Scwrl_4AL3.pdb
: