Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRPLVAGNWKMHGTHSSVAELIKGLRQ--LALPSGVDVAVMPPCLFISQVIQGLAGKAIDVGAQNSAVEPMQGALTGETAPSQLADVGCSMVLVGHSERRLILGESDEVVSRKFAAAQSCGLVPVLCVGETRAEREAGKTLEVVARQLGSVIDELGVGAFARAVVAYEPVWAIGTGLTASPAQAQEVHAAIRAQLAAENAEVAKGVRLLYGGSVKAASAAELFGMPDIDGGLVGGASLNADEFGAICRAAGS
4G1K Chain:C ((26-271))
-RIKRVIGNWKMHGRLSGNQALLTEVAQGAQAVHDNVAIGVCVPFPYLAQAQAQLQGGRVSWGSQDVSAHE-QGAYTGEVAAGMVAEFGAAYAIVGHSERRAYHGESNETVAAKARRALAAGLTPIVCVGETLAEREAGTTEQVVGAQLDAVLAVLSPDEAARIVVAYEPVWAIGTGKSATAEQAQQVHAFLRGRLAAKG---AGHVSLLYGGSVKADNAAELFGQPDIDGGLIGGASLKSGDFLAICRAA--
General information:
TITO was launched using:
RESULT:
Template:
4G1K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -151541 for 2100 contacts (-72.2/contact) +
2D Compatibility (PS) -27012 + (NN) -12298 + (LL) 656
1D Compatibility (HY) -15600 + (ID) 6350
Total energy: -212145.0 ( -101.02 by residue)
QMean score : 0.607
(partial model without unconserved sides chains):
PDB file :
Tito_4G1K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4G1K-query.scw
PDB file :
Tito_Scwrl_4G1K.pdb
: