Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
2IYZ Chain:A ((2-170))
-APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNR-NPGAVVRHILSRLQVPS------
General information:
TITO was launched using:
RESULT:
Template:
2IYZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94455 for 1330 contacts (-71.0/contact) +
2D Compatibility (PS) -19252 + (NN) -13020 + (LL) 584
1D Compatibility (HY) -19600 + (ID) 8400
Total energy: -154143.0 ( -115.90 by residue)
QMean score : 0.846
(partial model without unconserved sides chains):
PDB file :
Tito_2IYZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IYZ-query.scw
PDB file :
Tito_Scwrl_2IYZ.pdb
: