Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMKHDIEKVLISEEEIQKKVKELGAELTSEYQDTFPLAIGVLKGALPFMADLIKHIDTYLEMDFMDVSSYGNSTVSSGEVKIIKDLDTSVEGRDILIIEDIIDSGLTLSYLVELFRYRKAKSIKIVTLLDKPSGRKADIKADFVGFEVPDAFVVGYGLDYAERYRNLPYIGVLKPAVYES
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) -137308 for 1352 contacts (-101.6/contact) +
2D Compatibility (PS) -18902 + (NN) -6185 + (LL) 556
1D Compatibility (HY) -22000 + (ID) 5350
Total energy: -189189.0 ( -139.93 by residue)
QMean score : 0.534
(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
: