Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
4BQS Chain:B ((2-170))
-APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPS------
General information:
TITO was launched using:
RESULT:
Template:
4BQS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94730 for 1365 contacts (-69.4/contact) +
2D Compatibility (PS) -18999 + (NN) -10118 + (LL) 484
1D Compatibility (HY) -19600 + (ID) 8450
Total energy: -151413.0 ( -110.93 by residue)
QMean score : 0.853
(partial model without unconserved sides chains):
PDB file :
Tito_4BQS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BQS-query.scw
PDB file :
Tito_Scwrl_4BQS.pdb
: