Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
2IYQ Chain:A ((2-167))
-APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQ---------
General information:
TITO was launched using:
RESULT:
Template:
2IYQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -95522 for 1371 contacts (-69.7/contact) +
2D Compatibility (PS) -18817 + (NN) -11615 + (LL) 508
1D Compatibility (HY) -19200 + (ID) 8300
Total energy: -152946.0 ( -111.56 by residue)
QMean score : 0.863
(partial model without unconserved sides chains):
PDB file :
Tito_2IYQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IYQ-query.scw
PDB file :
Tito_Scwrl_2IYQ.pdb
: