Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVLIAEDEEQMSRVLSTAISHQGYVVDVAYDGQTAIDLANQNAYDVMVMDVMMPVKTGVEAVKEIRQSGNKSHIIMLTAMAEIDDRVTGLDAGADDYLTKPFS-LKELLARLRSMSRRLEDFTPNVLSLGRVTLSVGEQE-LQCENTIRLAGKEAKMLAFFMLNHDKELSTQQLFEHVWGADKDQEDVDEGYVFIYVSYLRQKLQAISANLEIIGQEGSSYKLSEINGG
2HQR Chain:A ((1-218))
MRVLLIEKNSVLGGEIEKGLNVKGFMADVTESLEDGEYLMDIRNYDLVMVS----DKNALSFVSRIKEKHSSIVVLVSSDNPTSEEEVHAFEQGADDYIAKPYRSIKALVARIEARLRFWGS---NVIEIGDLTISPDEEKIIYKGREVEVKGKPFEVLTHLARHRDQIVSKEQLLDAIWEEP--E-MVTPNVIEVAINQIRQKMDKPLGISTVETVRRRGYRFCYPKPA
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) -97133 for 1514 contacts (-64.2/contact) +
2D Compatibility (PS) -23714 + (NN) -13932 + (LL) 604
1D Compatibility (HY) -14800 + (ID) 2300
Total energy: -151275.0 ( -99.92 by residue)
QMean score : 0.469
(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
: