Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
2IYY Chain:A ((2-170))
-APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPS------
General information:
TITO was launched using:
RESULT:
Template:
2IYY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96455 for 1355 contacts (-71.2/contact) +
2D Compatibility (PS) -19409 + (NN) -13274 + (LL) 484
1D Compatibility (HY) -19600 + (ID) 8450
Total energy: -156704.0 ( -115.65 by residue)
QMean score : 0.850
(partial model without unconserved sides chains):
PDB file :
Tito_2IYY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IYY-query.scw
PDB file :
Tito_Scwrl_2IYY.pdb
: