Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAALAGH-TVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAAT
2SHK Chain:B ((1-172))
MTEPIFMVGARGCGKTTVGRELARALGYEFVDTDIFMQHTSGMTVADVVAAEGWPGFRRRESEALQ-AVATPNRVVATGGGMVLLEQNRQFMRAHGTVVYLFAPAEELALRLQ-------LTGRPIAEEMEAVLREREALYQDVAHYVVDAT-QPPAAIVCELMQTMRLPA------
General information:
TITO was launched using:
RESULT:
Template:
2SHK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86035 for 1263 contacts (-68.1/contact) +
2D Compatibility (PS) -18052 + (NN) -8305 + (LL) 648
1D Compatibility (HY) -13600 + (ID) 2950
Total energy: -128294.0 ( -101.58 by residue)
QMean score : 0.751
(partial model without unconserved sides chains):
PDB file :
Tito_2SHK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2SHK-query.scw
PDB file :
Tito_Scwrl_2SHK.pdb
: