Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
2IYU Chain:A ((2-168))
-APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQV--------
General information:
TITO was launched using:
RESULT:
Template:
2IYU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94492 for 1304 contacts (-72.5/contact) +
2D Compatibility (PS) -18767 + (NN) -8983 + (LL) 316
1D Compatibility (HY) -19600 + (ID) 8350
Total energy: -149876.0 ( -114.94 by residue)
QMean score : 0.847
(partial model without unconserved sides chains):
PDB file :
Tito_2IYU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IYU-query.scw
PDB file :
Tito_Scwrl_2IYU.pdb
: