Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERPQPDSMPQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYVALEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYGPRWQEVIPYTPAMQRYVKRLHEVGRTEPELLVAHAYTRYLGDLSGGQVLKKIAQKALDLPSSGEGLAFFTFPNIASATKFKQLYRSRMNSLEMTPAVRQRVIEEAKTAFLLNIQLFEELQELLTHDTKDQSPSRAPGLRQRASNKVQDSAPVETPRGKPPLNTRSQAPLLRWVLTLSFLVATVAVGLYAM
3TGM Chain:B ((10-224))
---------PQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYVALEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYGPRWQEVIPYTPAMQRYVKRLHEVGRTEPELLVAHAYTRYLGDLSGGQVLKKIAQKALDLPSSGEGLAFFTFPNIASATKFKQLYRSRMNSLEMTPAVRQRVIEEAKTAFLLNIQLFEELQELLTHD----------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3TGM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109482 for 1619 contacts (-67.6/contact) +
2D Compatibility (PS) -24131 + (NN) -22067 + (LL) 4172
1D Compatibility (HY) -29200 + (ID) 10750
Total energy: -191458.0 ( -118.26 by residue)
QMean score : 0.621
(partial model without unconserved sides chains):
PDB file :
Tito_3TGM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TGM-query.scw
PDB file :
Tito_Scwrl_3TGM.pdb
: