Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALLEIIHYPSKILRTISKEVVSFDSKLHQQLDDMHETMIASEGIGLAAIQVGLPLRMLIINLPQEDGVQHKEDCLEIINPKWIETKGSIMYREGCLSVPGFYEEVERFEKVKIEYQNRFAEVKILEASELLAVAIQHEIDHLNGVLFVDKLSILKRKKFEKELKELQKKQKHK
1LRU Chain:A ((1-163))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSE-----NRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRL----
General information:
TITO was launched using:
RESULT:
Template:
1LRU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80986 for 1238 contacts (-65.4/contact) +
2D Compatibility (PS) -17250 + (NN) -2889 + (LL) 668
1D Compatibility (HY) -13600 + (ID) 3350
Total energy: -117407.0 ( -94.84 by residue)
QMean score : 0.462
(partial model without unconserved sides chains):
PDB file :
Tito_1LRU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1LRU-query.scw
PDB file :
Tito_Scwrl_1LRU.pdb
: