Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERPQPDSMPQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYVALEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYGPRWQEVIPYTPAMQRYVKRLHEVGRTEPELLVAHAYTRYLGDLSGGQVLKKIAQKALDLPSSGEGLAFFTFPNIASATKFKQLYRSRMNSLEMTPAVRQRVIEEAKTAFLLNIQLFEELQELLTHDTKDQSPSRAPGLRQRASNKVQDSAPVETPRGKPPLNTRSQAPLLRWVLTLSFLVATVAVGLYAM
3HOK Chain:A ((10-223))
---------PQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYVALEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYGPRWQEVIPYTPAMQRYVKRLHEVGRTEPELLVAHAYTRYLGDLSGGQVLKKIAQKALDLPSSGEGLAFFTFPNIASATKFKQLYRSRMNSLEMTPAVRQRVIEEAKTAFLLNIQLFEELQELLTH-----------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3HOK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107920 for 1668 contacts (-64.7/contact) +
2D Compatibility (PS) -23599 + (NN) -20549 + (LL) 4096
1D Compatibility (HY) -29200 + (ID) 10700
Total energy: -187872.0 ( -112.63 by residue)
QMean score : 0.582
(partial model without unconserved sides chains):
PDB file :
Tito_3HOK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HOK-query.scw
PDB file :
Tito_Scwrl_3HOK.pdb
: