Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNECAFGTKDPVYLNYHDHVWGQPLYDSKALFKLLALESQHAGLSWLTILKKKEAYEEAFYDFEPEKVAQMTAQDIDRLMTFPNIVHHRKKLEAIVNQAQGYLKIEQAYGSFSKFLWSYVNGKPKDLQYEHASDRITVDDTATQLSKDLKQYGFKFLGPVTVFSFLEAAGLYDAHLKDCPSKPKHN
4AIA Chain:B ((3-187))
MNECAFGTKDPVYLNYHDHVWGQPLYDSKALFKLLALESQHAGLSWLTILKKKEAYEEAFYDFEPEKVAQMTAQDIDRLMTFPNIVHHRKKLEAIVNQAQGYLKIEQAYGSFSKFLWSYVNGKPKDLQYEHASDRITVDDTATQLSKDLKQYGFKFLGPVTVFSFLEAAGLYDAHLKDCPSKPKH-
General information:
TITO was launched using:
RESULT:
Template:
4AIA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93055 for 1442 contacts (-64.5/contact) +
2D Compatibility (PS) -19837 + (NN) -10564 + (LL) -80
1D Compatibility (HY) -26000 + (ID) 9250
Total energy: -158786.0 ( -110.12 by residue)
QMean score : 0.584
(partial model without unconserved sides chains):
PDB file :
Tito_4AIA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AIA-query.scw
PDB file :
Tito_Scwrl_4AIA.pdb
: