Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRPLVAGNWKMHGTHSSVAELIKGLRQ--LALPSGVDVAVMPPCLFISQVIQGLAGKAIDVGAQNSAVEPMQGALTGETAPSQLADVGCSMVLVGHSERRLILGESDEVVSRKFAAAQSCGLVPVLCVGETRAEREAGKTLEVVARQLGSVIDELGVGAFARAVVAYEPVWAIGTGLTASPAQAQEVHAAIRAQLAAENAEVAKGVRLLYGGSVKAASAAELFGMPDIDGGLVGGASLNADEFGAICRAAGS
4G1K Chain:D ((26-271))
-RIKRVIGNWKMHGRLSGNQALLTEVAQGAQAVHDNVAIGVCVPFPYLAQAQAQLQGGRVSWGSQDVSAHE-QGAYTGEVAAGMVAEFGAAYAIVGHSERRAYHGESNETVAAKARRALAAGLTPIVCVGETLAEREAGTTEQVVGAQLDAVLAVLSPDEAARIVVAYEPVWA------ATAEQAQQVHAFLRGRLAAKG---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) -154382 for 2035 contacts (-75.9/contact) +
2D Compatibility (PS) -26357 + (NN) -12176 + (LL) 796
1D Compatibility (HY) -15600 + (ID) 6150
Total energy: -213869.0 ( -105.10 by residue)
QMean score : 0.615
(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
: