Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPRCFWCNDDPLYMAYHDEEWGVPQRDPDALFELLLLEGFQAGLSWITVLKKRERYREVLFGFDVQRVAQMSDAEIDELMLDPGIIRNRAKLNAARQNAQAWLELDDPAG----FLWSFVGGQPKINHFAGRAEVPAITPEAEAMSKALRKAGFNFVGPTICYAFMQASGMVMDHTQDCDRYAQLVG
4AI5 Chain:A ((3-181))
MNECAFGTKDPVYLNFHDHVWGQPLYDSKALFKLLALESQHAGLSWLTILKKKEAYEEAFYDFEPEKVAQMTAQDIDRLMTFPNIVHHRKKLEAIVNQAQGYLKIEQAYGSFSKFLWSYVNGKPKDLQYEHASDRITVDDTATQLSKDLKQYGFKFLGPVTVFSFLEAAGLYDAHLKDCPSKPKHN-
General information:
TITO was launched using:
RESULT:
Template:
4AI5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85342 for 1324 contacts (-64.5/contact) +
2D Compatibility (PS) -19090 + (NN) -14037 + (LL) -76
1D Compatibility (HY) -16000 + (ID) 3600
Total energy: -138145.0 ( -104.34 by residue)
QMean score : 0.525
(partial model without unconserved sides chains):
PDB file :
Tito_4AI5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AI5-query.scw
PDB file :
Tito_Scwrl_4AI5.pdb
: