Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVLLIEKNSVLGGEIEKGLNVKGFMADVTESLEDGEYLMDIRNYDLVMVSDKNALSFVSRIKEKHSSIVVLVSSDNPTSEEEVHAFEQGADDYIAKPYRSIKALVARIEARLRFWGSNVIEIGDLTISPDEEKIIYKGREVEVKGKPFEVLTHLARHRDQIVSKEQLLDAIWEEPEMVTPNVIEVAINQIRQKMDKPLGISTVETVRRRGYRFCYPKPACEE
2HQN Chain:A ((122-223))
-------------------------------------------------------------------------------------------------------------------------EIGDLTISPDEEKIIYKGREVEVKGKPFEVLTHLARHRDQIVSKEQLLDAIWEEPEMVTPNVIEVAINQIRQKMDKPLGISTVETVRRRGYRFCYPKPACEE
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) -63948 for 744 contacts (-86.0/contact) +
2D Compatibility (PS) -11344 + (NN) -9377 + (LL) 9168
1D Compatibility (HY) -14000 + (ID) 5100
Total energy: -94601.0 ( -127.15 by residue)
QMean score : 0.633
(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
: