Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
2IYT Chain:A ((2-176))
-APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
General information:
TITO was launched using:
RESULT:
Template:
2IYT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -89758 for 1304 contacts (-68.8/contact) +
2D Compatibility (PS) -19444 + (NN) -9257 + (LL) 208
1D Compatibility (HY) -19600 + (ID) 8750
Total energy: -146601.0 ( -112.42 by residue)
QMean score : 0.884
(partial model without unconserved sides chains):
PDB file :
Tito_2IYT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IYT-query.scw
PDB file :
Tito_Scwrl_2IYT.pdb
: