Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
2DFT Chain:D ((2-166))
-APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRL----------
General information:
TITO was launched using:
RESULT:
Template:
2DFT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -95484 for 1368 contacts (-69.8/contact) +
2D Compatibility (PS) -18493 + (NN) -9379 + (LL) 628
1D Compatibility (HY) -19200 + (ID) 8200
Total energy: -150128.0 ( -109.74 by residue)
QMean score : 0.811
(partial model without unconserved sides chains):
PDB file :
Tito_2DFT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2DFT-query.scw
PDB file :
Tito_Scwrl_2DFT.pdb
: