Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRPLVAGNWKMHGTHSSVAELIKGLRQLALPSGVDVAVMPPCLFISQVIQGLAGKAIDVGAQNSAVEPMQGALTGETAPSQLADVGCSMVLVGHSERRLILGESDEVVSRKFAAAQSCGLVPVLCVGETRAEREAGKTLEVVARQLGSVIDELGVGAFARAVVAYEPVWAIGTGLTASPAQAQEVHAAIRAQLAAENAE-VAKGVRLLYGGSVKAASAAELFGMPDIDGGLVGGASLNADEFGAICRAAGS
1TPU Chain:A ((3-245))
-RKFFVGGNWKMNGDKKSLGELIHTLNGAKLSADTEVVCGAPSIYLDFARQKLDAK-IGVAAQNCYKVP-KGAFTGEISPAMIKDIGAAWVILGNSERRHVFGESDELIGQKVAHALAEGLGVIACIGEKLDEREAGITEKVVFEQTKAIADN--VKDWSKVVLAYEPVWAIGTGKTATPQQAQEVHEKLRGWLKTHVSDAVAQSTRIIYGGSVTGGNCKELASQHDVDGFLVGGASLKP-EFVDIINA---
General information:
TITO was launched using:
RESULT:
Template:
1TPU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145621 for 2070 contacts (-70.3/contact) +
2D Compatibility (PS) -26373 + (NN) -10687 + (LL) 432
1D Compatibility (HY) -16400 + (ID) 5500
Total energy: -204149.0 ( -98.62 by residue)
QMean score : 0.523
(partial model without unconserved sides chains):
PDB file :
Tito_1TPU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1TPU-query.scw
PDB file :
Tito_Scwrl_1TPU.pdb
: