Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLISWNVNGLRACMTKGFMDFFNSVDADVFCIQESKMQQEQNTFEFK---GYFDFWNCAIKKGYSGVVTFTKKEPLSVSYGIDIKEHDKEGRVVTCEFESFYLVNVYTPNSQQALSRLSYRMSWEVEFKKFLKALELK-KPVIVCGDLNVAHNEIDLENPKTNRKNAGFSDEEREKFSELLNA-GFIDTFRYFYPNKEKAYTWWSYMQQARDKDIGWRIDYFLCSNPLKTRLKDALIYKDILGSDHCPVGLELV
4B5H Chain:A ((2-253))
LKIISANVNGIRSAYKKGFYEYIAASGTDIVCVQELKAQEADLSADMKNPHGMHGHWHCAEKRGYSGVAVYSKRKPDNVQIGMGIEEFDREGRFVRCDFGRLSVISLYLPSGSSAEERQQVKYRFLDAFYPMLEAMKNEGRDIVVCGNWNIAHQNIDLKNWKGNQKNSGFLPEEREWIGKVIHKLGWTDMWRTLYPDV-PGYTWWSNRGQAYAKDVGWRIDYQMVTPELAAKAVSAHVYKDEKFSDHAPLVVEYD
General information:
TITO was launched using:
RESULT:
Template:
4B5H.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124296 for 2079 contacts (-59.8/contact) +
2D Compatibility (PS) -26953 + (NN) -11233 + (LL) 104
1D Compatibility (HY) -18400 + (ID) 4900
Total energy: -185678.0 ( -89.31 by residue)
QMean score : 0.493
(partial model without unconserved sides chains):
PDB file :
Tito_4B5H.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4B5H-query.scw
PDB file :
Tito_Scwrl_4B5H.pdb
: