Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVLLIEKNSVLGGEIEKGLNVKGFMADVTESLEDGEYLMDIRNYDLVMVSDKNALSFVSRIKEKHSSIVVLVSSDNPTSEEEVHAFEQGADDYIAKPYRSIKALVARIEARLRFWGSNVIEIGDLTISPDEEKIIYKGREVEVKGKPFEVLTHLARHRDQIVSKEQLLDAIWEEPEMVTPNVIEVAINQIRQKMDKPLGISTVETVRRRGYRFCYPKPACEE
2HQN Chain:A ((117-223))
--------------------------------------------------------------------------------------------------------------------GSNVIEIGDLTISPDEEKIIYKGREVEVKGKPFEVLTHLARHRDQIVSKEQLLDAIWEEPEMVTPNVIEVAINQIRQKMDKPLGISTVETVRRRGYRFCYPKPACEE
General information:
TITO was launched using:
RESULT:
Template:
2HQN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -65148 for 783 contacts (-83.2/contact) +
2D Compatibility (PS) -12063 + (NN) -10364 + (LL) 9052
1D Compatibility (HY) -14800 + (ID) 5350
Total energy: -98673.0 ( -126.02 by residue)
QMean score : 0.606
(partial model without unconserved sides chains):
PDB file :
Tito_2HQN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HQN-query.scw
PDB file :
Tito_Scwrl_2HQN.pdb
: