Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALA-GHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
4Y0A Chain:A ((7-177))
TLPNIYLVGPMGAGKTTVGRHLAELLGREFLDSDHEIERKTGATIPWIFEKEGEVGFRTRETVVLNELTSRKALVLATGGGAITQAPNREFLKQRGIVVYLYTPVELQLQRTYRDKNRPLLQVENPEQKLRDLLKIRDPLYREVAHYTIETNQGAARDLAQKILQLILSNK------
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) -81467 for 1392 contacts (-58.5/contact) +
2D Compatibility (PS) -19257 + (NN) -9136 + (LL) 276
1D Compatibility (HY) -10400 + (ID) 3150
Total energy: -123134.0 ( -88.46 by residue)
QMean score : 0.762
(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
: