Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPRCFWCNDDPLYMAYHDEEWGVPQRDPDALFELLLLEGFQAGLSWITVLKKRERYREVLFGFDVQRVAQMSDAEIDELMLDPGIIRNRAKLNAARQNAQAWLELDDPAG----FLWSFVGGQPKINHFAGRAEVPAITPEAEAMSKALRKAGFNFVGPTICYAFMQASGMVMDHTQDCDRYAQLVG
4AIA Chain:D ((3-181))
MNECAFGTKDPVYLNYHDHVWGQPLYDSKALFKLLALESQHAGLSWLTILKKKEAYEEAFYDFEPEKVAQMTAQDIDRLMTFPNIVHHRKKLEAIVNQAQGYLKIEQAYGSFSKFLWSYVNGKPKDLQYEHASDRITVDDTATQLSKDLKQYGFKFLGPVTVFSFLEAAGLYDAHLKDCPSKPKHN-
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) -90958 for 1316 contacts (-69.1/contact) +
2D Compatibility (PS) -19202 + (NN) -14788 + (LL) -76
1D Compatibility (HY) -16000 + (ID) 3650
Total energy: -144674.0 ( -109.93 by residue)
QMean score : 0.533
(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
: