Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
2DFN Chain:A ((2-166))
-APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRL----------
General information:
TITO was launched using:
RESULT:
Template:
2DFN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -97519 for 1393 contacts (-70.0/contact) +
2D Compatibility (PS) -18795 + (NN) -11629 + (LL) 628
1D Compatibility (HY) -19200 + (ID) 8200
Total energy: -154715.0 ( -111.07 by residue)
QMean score : 0.871
(partial model without unconserved sides chains):
PDB file :
Tito_2DFN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2DFN-query.scw
PDB file :
Tito_Scwrl_2DFN.pdb
: