Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERPQPDSMPQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYVALEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYGPRWQEVIPYTPAMQRYVKRLHEVGRTEPELLVAHAYTRYLGDLSGGQVLKKIAQKALDLPSSGEGLAFFTFPNIASATKFKQLYRSRMNSLEMTPAVRQRVIEEAKTAFLLNIQLFEELQELLTHDTKDQSPSRAPGLRQRASNKVQDSAPVETPRGKPPLNTRSQAPLLRWVLTLSFLVATVAVGLYAM
1S8C Chain:A ((10-223))
---------PQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYVALEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYGPRWQEVIPYTPAMQRYVKRLHEVGRTEPELLVAHAYTRYLGDLSGGQVLKKIAQKALDLPSSGEGLAFFTFPNIASATKFKQLYRSRMNSLEMTPAVRQRVIEEAKTAFLLNIQLFEELQELLTH-----------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1S8C.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109493 for 1631 contacts (-67.1/contact) +
2D Compatibility (PS) -23725 + (NN) -20798 + (LL) 4096
1D Compatibility (HY) -29200 + (ID) 10700
Total energy: -189820.0 ( -116.38 by residue)
QMean score : 0.612
(partial model without unconserved sides chains):
PDB file :
Tito_1S8C.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1S8C-query.scw
PDB file :
Tito_Scwrl_1S8C.pdb
: