Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNAADRVMQSYGRCC--A-STGFFDDFYRHFLASSPQIRAKFATTD-----MTAQKHLLRAGIMNLVMYARGMS--DSKLRALGASHSRAALD---IRPELYDLWLDALLMAVAEHD-RDCDAETRDAWRDVMGRGIAVIKSYY
1JF3 Chain:A ((5-145))
-AQRQVVASTWKDIAGADNGAGVGKECLSKFISAHPEMAAVFGFSGASDPGVAELGAKVLAQIGVAVSHLGDEGKMVAEMKAVGVRHKG--YGNKHIKAEYFEPLGASLLSAMEHRIGGKMNAAAKDAWAAAYGDISGALISGL
General information:
TITO was launched using:
RESULT:
Template:
1JF3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -83946 for 925 contacts (-90.8/contact) +
2D Compatibility (PS) -13704 + (NN) -7572 + (LL) 496
1D Compatibility (HY) -5200 + (ID) 1150
Total energy: -111076.0 ( -120.08 by residue)
QMean score : 0.460
(partial model without unconserved sides chains):
PDB file :
Tito_1JF3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1JF3-query.scw
PDB file :
Tito_Scwrl_1JF3.pdb
: