Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRPLVAGNWKMHGTHSSVAELIKGLRQLALPSGVDVAVMPPCLFISQVIQGLAGKAIDVGAQNSAVEPMQGALTGETAPSQLADVGCSMVLVGHSERRLILGESDEVVSRKFAAAQSCGLVPVLCVGETRAEREAGKTLEVVARQLGSVIDELGVGAFARAVVAYEPVWAIGTGLTASPAQAQEVHAAIRAQLAAENAE-VAKGVRLLYGGSVKAASAAELFGMPDIDGGLVGGASLNADEFGAICRAAGS
1HTI Chain:B ((4-246))
-RKFFVGGNWKMNGRKQSLGELIGTLNAAKVPADTEVVCAPPTAYIDFARQKLDPK-IAVAAQN-CYKVTNGAFTGEISPGMIKDCGATWVVLGHSERRHVFGESDELIGQKVAHALAEGLGVIACIGEKLDEREAGITEKVVFEQTKVIAD--NVKDWSKVVLAYEPVWAIGTGKTATPQQAQEVHEKLRGWLKSNVSDAVAQSTRIIYGGSVTGATCKELASQPDVDGFLVGGASLKP-EFVDIINA---
General information:
TITO was launched using:
RESULT:
Template:
1HTI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -154362 for 2088 contacts (-73.9/contact) +
2D Compatibility (PS) -26456 + (NN) -10946 + (LL) 472
1D Compatibility (HY) -16000 + (ID) 5700
Total energy: -212992.0 ( -102.01 by residue)
QMean score : 0.514
(partial model without unconserved sides chains):
PDB file :
Tito_1HTI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1HTI-query.scw
PDB file :
Tito_Scwrl_1HTI.pdb
: