Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLISWNVNGLRACMTKGFMDFFNSVDADVFCIQESKMQQEQNTFEFK---GYFDFWNCAIKKGYSGVVTFTKKEPLSVSYGIDIKEHDKEGRVVTCEFESFYLVNVYTPNSQQALSRLSYRMSWEVEFKKFLKALELK-KPVIVCGDLNVAHNEIDLENPKTNRKNAGFSDEEREKFSELLNA-GFIDTFRYFYPNKEKAYTWWSYMQQARDKDIGWRIDYFLCSNPLKTRLKDALIYKDILGSDHCPVGLELV
4B5G Chain:A ((2-253))
LKIISANVNGIRSAYKKGFYEYIAASGADIVCVQELKAQEADLSADMKNPHGMHGHWHCAEKRGYSGVAVYSKRKPDNVQIGMGIEEFDREGRFVRCDFGRLSVISLYLPSGSSAEERQQVKYRFLDAFYPMLEAMKNEGRDIVVCGDWNIAHQNIDLKNWKGNQKNSGFLPEEREWIGKVIHKLGWTDMWRTLYPDV-PGYTWWSNRGQAYAKDVGWRIDYQMVTPELAAKAVSAHVYKDEKFSDHAPLVVEYD
General information:
TITO was launched using:
RESULT:
Template:
4B5G.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126569 for 2067 contacts (-61.2/contact) +
2D Compatibility (PS) -26933 + (NN) -11189 + (LL) 104
1D Compatibility (HY) -18400 + (ID) 5000
Total energy: -187987.0 ( -90.95 by residue)
QMean score : 0.515
(partial model without unconserved sides chains):
PDB file :
Tito_4B5G.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4B5G-query.scw
PDB file :
Tito_Scwrl_4B5G.pdb
: