Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHNDLKEVLLTEEDIQNICKELGAQLTKDYQGKPLVCVGILKGSAMFMSDLIKRIDTHLSIDFMDVSSYHGGTESTGEVQIIKDLGSSIENKDVLIIEDILETGTTLKSITELLQSRKVNSLEIVTLLDKPNRRKADIEAKYVGKKIPDEFVVGYGLDYRELYRNLPYIGTLKPEVYSN
1R3U Chain:B ((30-204))
--EDIEEILITEEQLKAKVKELGEMITRDYEGKDLVLIGVLKGAIMFMSGLSRAIDLPLSIDFLAVSSYGSSTKSSGIVKIIKDHDIDIEGKDVLIVEDIIDSGLTLAYLRETLLGRKPRSLKICTILDKPERREADVKVDYCGFKIPDKFVVGYGLDYAEKYRNLPFIGVLKPELY--
General information:
TITO was launched using:
RESULT:
Template:
1R3U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -116901 for 1352 contacts (-86.5/contact) +
2D Compatibility (PS) -18939 + (NN) -4997 + (LL) 144
1D Compatibility (HY) -22000 + (ID) 5100
Total energy: -167793.0 ( -124.11 by residue)
QMean score : 0.531
(partial model without unconserved sides chains):
PDB file :
Tito_1R3U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1R3U-query.scw
PDB file :
Tito_Scwrl_1R3U.pdb
: