Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRPLVAGNWKMHGTHSSVAELIKGLRQLALPSGVDVAVMPPCLFISQVIQGLAGKAIDVGAQNSAVEPMQGALTGETAPSQLADVGCSMVLVGHSERRLILGESDEVVSRKFAAAQSCGLVPVLCVGETRAEREAGKTLEVVARQLGSVIDELGVGAFARAVVAYEPVWAIGTGLTASPAQAQEVHAAIRAQLAAENAE-VAKGVRLLYGGSVKAASAAELFGMPDIDGGLVGGASLNADEFGAICRAAGS
1R2R Chain:C ((4-246))
-RKFFVGGNWKMNGRKKNLGELITTLNAAKVPADTEVVCAPPTAYIDFARQKLDPK-IAVAAQN-CYKVTNGAFTGEISPGMIKDCGATWVVLGHSERRHVFGESDELIGQKVAHALSEGLGVIACIGEKLDEREAGITEKVVFEQTKVIAD--NVKDWSKVVLAYEPVWAIGTGKTATPQQAQEVHEKLRGWLKSNVSDAVAQSTRIIYGGSVTGATCKELASQPDVDGFLVGGASLKP-EFVDIINA---
General information:
TITO was launched using:
RESULT:
Template:
1R2R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -159836 for 2086 contacts (-76.6/contact) +
2D Compatibility (PS) -26697 + (NN) -12602 + (LL) 472
1D Compatibility (HY) -16000 + (ID) 5700
Total energy: -220363.0 ( -105.64 by residue)
QMean score : 0.580
(partial model without unconserved sides chains):
PDB file :
Tito_1R2R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1R2R-query.scw
PDB file :
Tito_Scwrl_1R2R.pdb
: