Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHTDLTPCTRVLASSGTVPIAEELLARVLEPYSCKGCRYLIDAQYSATEDSVLAYGNFTIGESAYIRSTGHFNAVELILCFNQLAYSAFAPAVLNEEIRVLRGWSIDDYCQHQLSSMLIRKASSRFRKPLNPQKFSARLLCRDLQVIERTWRYLKVPCVIEFWDENGGAASGEIELAALNIP
3B18 Chain:A ((16-183))
---------------SGTVPIAEELLARVLEPYSCKGCRYLIDAQYSATEDSVLAYGNFTIGESAYIRSTGHFNAVELILCFNQLAYSAFAPAVLNEEIRVLRGWSIDDYCQHQLSSMLIRKASSRFRKPLNPQKFSARLLCRDLQVIERTWRYLKVPCVIEFWD-NGGAASGEIELAALNIP
General information:
TITO was launched using:
RESULT:
Template:
3B18.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161545 for 1309 contacts (-123.4/contact) +
2D Compatibility (PS) -17425 + (NN) -179 + (LL) 1084
1D Compatibility (HY) -26000 + (ID) 8350
Total energy: -212415.0 ( -162.27 by residue)
QMean score : 0.419
(partial model without unconserved sides chains):
PDB file :
Tito_3B18.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3B18-query.scw
PDB file :
Tito_Scwrl_3B18.pdb
: