Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
3BAF Chain:A ((2-166))
-APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRL----------
General information:
TITO was launched using:
RESULT:
Template:
3BAF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -88987 for 1171 contacts (-76.0/contact) +
2D Compatibility (PS) -18858 + (NN) -11238 + (LL) 628
1D Compatibility (HY) -19200 + (ID) 8200
Total energy: -145855.0 ( -124.56 by residue)
QMean score : 1.016
(partial model without unconserved sides chains):
PDB file :
Tito_3BAF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BAF-query.scw
PDB file :
Tito_Scwrl_3BAF.pdb
: