Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRKTYEKIANINGMFNMLEQQIIHSQDMAHFRSEFFYVNHEHRENYEALLIYYKNSIDNPIVDGACYILALPEIFNSVDVFESELPFSWVYDENGITETMKSLSIPLQYLVAAALEVTDVNIFKPSGFTMGMNNWNIAQMRIFWQYTAIIRKEAL
3KBY Chain:A ((2-145))
------------SHMFNMLEQQIIHSQDMAHFRSEFFYVNHEHRENYEALLIYYKNSIDNPIVDGACYILALPEIFNSVDVFESELPFSWVYDENGITETMKSLSIPLQYLVAAALEVTDVNIFKPSGFTMGMNNWNIAQMRIFWQYTAIIRKEAL
General information:
TITO was launched using:
RESULT:
Template:
3KBY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -123658 for 1022 contacts (-121.0/contact) +
2D Compatibility (PS) -15029 + (NN) -2303 + (LL) 1128
1D Compatibility (HY) -24800 + (ID) 7100
Total energy: -171762.0 ( -168.06 by residue)
QMean score : 0.467
(partial model without unconserved sides chains):
PDB file :
Tito_3KBY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KBY-query.scw
PDB file :
Tito_Scwrl_3KBY.pdb
: