Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
2IYW Chain:A ((2-176))
-APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
General information:
TITO was launched using:
RESULT:
Template:
2IYW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -88865 for 1330 contacts (-66.8/contact) +
2D Compatibility (PS) -19618 + (NN) -10988 + (LL) 208
1D Compatibility (HY) -19600 + (ID) 8750
Total energy: -147613.0 ( -110.99 by residue)
QMean score : 0.899
(partial model without unconserved sides chains):
PDB file :
Tito_2IYW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IYW-query.scw
PDB file :
Tito_Scwrl_2IYW.pdb
: