Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
2IYR Chain:B ((2-170))
-APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTV--LLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPS------
General information:
TITO was launched using:
RESULT:
Template:
2IYR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91992 for 1316 contacts (-69.9/contact) +
2D Compatibility (PS) -18653 + (NN) -8535 + (LL) 444
1D Compatibility (HY) -19600 + (ID) 8350
Total energy: -146686.0 ( -111.46 by residue)
QMean score : 0.855
(partial model without unconserved sides chains):
PDB file :
Tito_2IYR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IYR-query.scw
PDB file :
Tito_Scwrl_2IYR.pdb
: