Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKKIFLLEDDYLLSESIKEFLEHLGYEVFCAFNGKEAHERLSVERFNLLLLDVQVPEMNSLELFKRIKNDFLISTPVIFITALQDNATLKNAFNLGASDYLKKPFD-LDELEARIKRFFNDDP---IEIMPNIFYH--QHALNVKGKKEILAPKTAQLLEYFLEHKGQIISSQALENNLWEQA--IDDSTLRTYIKVLRKLLGKN----CIETHKGVGYRFNPL
2HQR Chain:A ((2-216))
---RVLLIEKNSVLGGEIEKGLNVKGFMADVTESLEDGEYLMDIRNYDLVMVS----DKNALSFVSRIKE-KHSSIVVLVSSDNPTSEEEVHAFEQGADDYIAKPYRSIKALVARIEARLRFWGSNVIEIGD-LTISPDEEKIIYKGREVEVKGKPFEVLTHLARHRDQIVSKEQLLDAIWEEPEMVTPNVIEVAINQIRQKMDKPLGISTVETVRRRGYRFCYP
General information:
TITO was launched using:
RESULT:
Template:
2HQR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121959 for 1401 contacts (-87.1/contact) +
2D Compatibility (PS) -22505 + (NN) -10205 + (LL) 600
1D Compatibility (HY) -12000 + (ID) 2450
Total energy: -168519.0 ( -120.28 by residue)
QMean score : 0.586
(partial model without unconserved sides chains):
PDB file :
Tito_2HQR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HQR-query.scw
PDB file :
Tito_Scwrl_2HQR.pdb
: