Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVLLIEKNSVLGGEIEKGLNVKGFMADVTESLEDGEYLMDIRNYDLV----MVSDKNALSFVSRIKEKHSSIVVLVSSDNPTSEEEVHAFEQGADDYIAKPYRSIKALVARIEARLRFWGSN-------VIEIGDLTISPDEEKIIYKGREVEVKGKPFEVLTHLARHRDQIVSKEQLLDAIWEEPEMVTPNVIEVAINQIRQKMDK-PLGISTVETVRRRGYRFCYPKPACEE
2OQR Chain:A ((7-228))
--VLIVEDEESLADPLAFLLRKEGFEATVVTDGPAALAEFDRAGADIVLLDLMLPGMSGTDVCKQLRARSSVPVIMVTARD-SEIDKVVGLELGADDYVTKPY-SARELIARIRAVLRRGGDDDSEMSDGVLESGPVRMDVERHVVSVNGDTITLPLKEFDLLEYLMRNSGRVLTRGQLIDRVWGADYVGDTKTLDVHVKRLRSKIEADPANPVHLVTVRGLGYKLE--------
General information:
TITO was launched using:
RESULT:
Template:
2OQR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -66852 for 1414 contacts (-47.3/contact) +
2D Compatibility (PS) -22270 + (NN) -5435 + (LL) 504
1D Compatibility (HY) -15600 + (ID) 2850
Total energy: -112503.0 ( -79.56 by residue)
QMean score : 0.374
(partial model without unconserved sides chains):
PDB file :
Tito_2OQR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OQR-query.scw
PDB file :
Tito_Scwrl_2OQR.pdb
: