Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
2G1K Chain:A ((2-169))
-APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVP-------
General information:
TITO was launched using:
RESULT:
Template:
2G1K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91442 for 1338 contacts (-68.3/contact) +
2D Compatibility (PS) -19220 + (NN) -12782 + (LL) 456
1D Compatibility (HY) -19600 + (ID) 8400
Total energy: -150988.0 ( -112.85 by residue)
QMean score : 0.884
(partial model without unconserved sides chains):
PDB file :
Tito_2G1K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2G1K-query.scw
PDB file :
Tito_Scwrl_2G1K.pdb
: