Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTGHHGWGYGQDDGPSHWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLELSYEACMSLSITNNGHSVQVDFNDSDDRTVVTGGPLEGPYRLKQFHFHWGKKHDVGSEHTVDGKSFPSELHLVHWNAKKYSTFGEAASAPDGLAVVGVFLETGDEHPSMNRLTDALYMVRFKGTKAQFSCFNPKCLLPASRHYWTYPGSLTTPPLSESVTWIVLREPICISERQMGKFRSLLFTSEDDERIHMVNNFRPPQPLKGRVVKASFRA
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) -109029 for 1986 contacts (-54.9/contact) +
2D Compatibility (PS) -26111 + (NN) -16772 + (LL) 440
1D Compatibility (HY) -20800 + (ID) 6200
Total energy: -178472.0 ( -89.87 by residue)
QMean score : 0.502
(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
: