Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTGHHCWGYGQDDGPSNWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLELFYEACMSLSITNNGHSVQVDFNDSDDRTVVSGGPLEGPYRLKQLHFHWGKKRDMGSEHTVDGKSFPSELHLVHWNAKKYSTFGEAAAAPDGLAVVGVFLETGDEHPSMNRLTDALYMVRFKDTKAQFSCFNPKCLLPTSRHYWTYPGSLTTPPLSESVTWIVLREPIRISERQMEKFRSLLFTSEDDERIHMVDNFRPPQPLKGRVVKASFQA
1KEQ Chain:A ((4-241))
--------------------------GTRQSPINIQWKDSVYDPQLAPLRVSYDAASCRYLWNTGYAFQVEFDDSCEDSGISGGPLGNHYRLKQFHFHWGATDEWGSEHAVDGHTYPAELHLVHWNSTKYENCKKASVGENGLAVIGVFLKLGAHHQALQKLVDVLPEVRHKDTQVAMGPFDPSCLMPACRDYWTYPGSLTTPPLAESVTWIVQKTPVEVSPSQLSMFRTLLFSGRGEEEDVMVNNYRPLQPLRDRKLRSSFRL
General information:
TITO was launched using:
RESULT:
Template:
1KEQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106026 for 1986 contacts (-53.4/contact) +
2D Compatibility (PS) -26063 + (NN) -16909 + (LL) 544
1D Compatibility (HY) -20800 + (ID) 6050
Total energy: -175304.0 ( -88.27 by residue)
QMean score : 0.511
(partial model without unconserved sides chains):
PDB file :
Tito_1KEQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KEQ-query.scw
PDB file :
Tito_Scwrl_1KEQ.pdb
: