Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALLEIIHYPSKILRTISKEVVSFDSKLHQQLDDMHETMIASEGIGLAAIQVGLPLRMLIINLPQEDGVQHKEDCLEIINPKWIETKGSIMYREGCLSVPGFYEEVERFEKVKIEYQNRFAEVKILEASELLAVAIQHEIDHLNGVLFVDKLSILKRKKFEKELKELQKKQKHK
1LRU Chain:C ((1-161))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSE-----NRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKL-------
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) -91864 for 1248 contacts (-73.6/contact) +
2D Compatibility (PS) -17110 + (NN) -3122 + (LL) 916
1D Compatibility (HY) -13600 + (ID) 3350
Total energy: -128130.0 ( -102.67 by residue)
QMean score : 0.452
(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
: