Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERPQPDSMPQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYVALEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYGPRWQEVIPYTPAMQRYVKRLHEVGRTEPELLVAHAYTRYLGDLSGGQVLKKIAQKALDLPSSGEGLAFFTFPNIASATKFKQLYRSRMNSLEMTPAVRQRVIEEAKTAFLLNIQLFEELQELLTHDTKDQSPSRAPGLRQRASNKVQDSAPVETPRGKPPLNTRSQAPLLRWVLTLSFLVATVAVGLYAM
3HOK Chain:B ((9-223))
--------MPQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYVALEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYGPRWQEVIPYTPAMQRYVKRLHEVGRTEPELLVAHAYTRYLGDLSGGQVLKKIAQKALDLPSSGEGLAFFTFPNIASATKFKQLYRSRMNSLEMTPAVRQRVIEEAKTAFLLNIQLFEELQELLTH-----------------------------------------------------------------
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) -96900 for 1606 contacts (-60.3/contact) +
2D Compatibility (PS) -23843 + (NN) -20961 + (LL) 3888
1D Compatibility (HY) -29600 + (ID) 10750
Total energy: -178166.0 ( -110.94 by residue)
QMean score : 0.558
(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
: