Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALLEIIHYPSKILRTISKEVVSFDSKLHQQLDDMHETMIASEGIGLAAIQVGLPLRMLIINLPQEDGVQHKEDCLEIINPKWIETKGSIMYREGCLSVPGFYEEVERFEKVKIEYQNRFAEVKILEASELLAVAIQHEIDHLNGVLFVDKLSILKRKKFEKELKELQKKQKHK
2W3U Chain:A ((1-163))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSE-----NRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLK---
General information:
TITO was launched using:
RESULT:
Template:
2W3U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80127 for 1279 contacts (-62.6/contact) +
2D Compatibility (PS) -17445 + (NN) -4135 + (LL) 624
1D Compatibility (HY) -13600 + (ID) 3350
Total energy: -118033.0 ( -92.29 by residue)
QMean score : 0.445
(partial model without unconserved sides chains):
PDB file :
Tito_2W3U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2W3U-query.scw
PDB file :
Tito_Scwrl_2W3U.pdb
: