Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGH-TVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
4Y0A Chain:A ((9-159))
--PNIYLVGPMGAGKTTVGRHLAELLGREFLDSDHEIERKTGATIPWIFEKEGEVGFRTRETVVLNELTSRKALVLATGGGAITQAPNREFLKQRGIVVYLYTPVELQLQRTYRDKNRPLLQVENPEQKLRDLLKIRDPLYREVAHYTIETNQ------------------------
General information:
TITO was launched using:
RESULT:
Template:
4Y0A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -56691 for 1193 contacts (-47.5/contact) +
2D Compatibility (PS) -17172 + (NN) -9135 + (LL) 1780
1D Compatibility (HY) -10000 + (ID) 3050
Total energy: -94268.0 ( -79.02 by residue)
QMean score : 0.725
(partial model without unconserved sides chains):
PDB file :
Tito_4Y0A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4Y0A-query.scw
PDB file :
Tito_Scwrl_4Y0A.pdb
: