Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHTDLTPCTRVLASSGTVPIAEELLARVLEPYSCKGCRYLIDAQYSATEDSVLAYGNFT-IGESAYI---RSTGHFNAVELILCFNQLAYSAFAPA-VLNEE---IRVLRGWSIDDYCQHQLSSMLIRKASSRFRKPLNP-QKFSARLLCRDLQVIERTWRYLKVPCV---IEFWDE-NGGAA-S-GEIELAALNIP
2VQZ Chain:A ((3-165))
SSSFSFGGFTFKRTSGSSIKREEEVLTGNLQTLKIRVHE---------------GYEEFTMVGKRATAILRKATRRLVQLIVSGKDEQSIAEAIIVAMVFSQEDCMIKAVRGDL---------------NFVNRANQRLNPMHQL-LRHFQKDAKVLFQNWGIEHIDNVMGMVGVLPDMTPSTEMSMRGIRVSK----
General information:
TITO was launched using:
RESULT:
Template:
2VQZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -60107 for 982 contacts (-61.2/contact) +
2D Compatibility (PS) -15473 + (NN) 1570 + (LL) 2712
1D Compatibility (HY) -4400 + (ID) 1600
Total energy: -77298.0 ( -78.71 by residue)
QMean score : 0.267
(partial model without unconserved sides chains):
PDB file :
Tito_2VQZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VQZ-query.scw
PDB file :
Tito_Scwrl_2VQZ.pdb
: