Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERPQPDSMPQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYVALEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYGPRWQEVIPYTPAMQRYVKRLHEVGRTEPELLVAHAYTRYLGDLSGGQVLKKIAQKALDLPSSGEGLAFFTFPNIASATKFKQLYRSRMNSLEMTPAVRQRVIEEAKTAFLLNIQLFEELQELLTHDTKDQSPSRAPGLRQRASNKVQDSAPVETPRGKPPLNTRSQAPLLRWVLTLSFLVATVAVGLYAM
1XK3 Chain:B ((10-223))
---------PQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYVALEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYGPRWQEVIPYTPAMQRYVKRLHEVGRTEPELLVAHAYTRYLGDLSGGQVLKKIAQKALDLPSSGEGLAFFTFPNIASATKFKQLYESRMNSLEMTPAVRQRVIEEAKTAFLLNIQLFEELQELLTH-----------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1XK3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109424 for 1655 contacts (-66.1/contact) +
2D Compatibility (PS) -23865 + (NN) -20522 + (LL) 4096
1D Compatibility (HY) -29200 + (ID) 10650
Total energy: -189565.0 ( -114.54 by residue)
QMean score : 0.610
(partial model without unconserved sides chains):
PDB file :
Tito_1XK3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XK3-query.scw
PDB file :
Tito_Scwrl_1XK3.pdb
: