Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLISWNVNGLRACMTKGFMDFFNSVDADVFCIQESKMQQEQNTFEFK---GYFDFWNCAIKKGYSGVVTFTKKEPLSVSYGIDIKEHDKEGRVVTCEFESFYLVNVYTPNSQQALSRLSYRMSWEVEFKKFLKALELK-KPVIVCGDLNVAHNEIDLENPKTNRKNAGFSDEEREKFSELLNA-GFIDTFRYFYPNKEKAYTWWSYMQQARDKDIGWRIDYFLCSNPLKTRLKDALIYKDILGSDHCPVGLELV
4B5I Chain:A ((2-253))
LKIISANVNGIRSAYKKGFYEYIAASGADIVCVQELKAQEADLSADMKNPHGMHGHWHCAEKRGYSGVAVYSKRKPDNVQIGMGIEEFDREGRFVRCDFGRLSVISLYLPSGSSAEERQQVKYRFLDAFYPMLEAMKNEGRDIVVCGDWNIAHQNIDLKNWKGNQKNSGFLPEEREWIGKVIHKLGWTDMWRTLYPDV-PGYTWWSNRGQAYAKDVGWRIDYQMVTPELAAKAVSAHVYKDEKFSDHAPLVVEYD
General information:
TITO was launched using:
RESULT:
Template:
4B5I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125410 for 2116 contacts (-59.3/contact) +
2D Compatibility (PS) -26975 + (NN) -12272 + (LL) 104
1D Compatibility (HY) -18400 + (ID) 5000
Total energy: -187953.0 ( -88.82 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_4B5I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4B5I-query.scw
PDB file :
Tito_Scwrl_4B5I.pdb
: