Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSE-----NRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKARA
4E9A Chain:A ((1-163))
-ALLEIIHYPSKILRTISKEVVSFDAKLHQQLDDMYETMIASEGIGLAAIQVGLPLRMLIINLPQEDGVQHKEDCLEIINPKFIETGGSMMYKEGCLSVPGFYEEVERFEKVKIEYQNRFAEVKVLEASELLAVAIQHEIDHLNGVLFVDKLSILKRKKFEKEL----------
General information:
TITO was launched using:
RESULT:
Template:
4E9A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80607 for 1215 contacts (-66.3/contact) +
2D Compatibility (PS) -16681 + (NN) 1114 + (LL) 1204
1D Compatibility (HY) -16800 + (ID) 3350
Total energy: -115120.0 ( -94.75 by residue)
QMean score : 0.662
(partial model without unconserved sides chains):
PDB file :
Tito_4E9A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4E9A-query.scw
PDB file :
Tito_Scwrl_4E9A.pdb
: