Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERPQPDSMPQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYVALEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYGPRWQEVIPYTPAMQRYVKRLHEVGRTEPELLVAHAYTRYLGDLSGGQVLKKIAQKALDLPSSGEGLAFFTFPNIASATKFKQLYRSRMNSLEMTPAVRQRVIEEAKTAFLLNIQLFEELQELLTHDTKDQSPSRAPGLRQRASNKVQDSAPVETPRGKPPLNTRSQAPLLRWVLTLSFLVATVAVGLYAM
1N45 Chain:B ((10-223))
---------PQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYVALEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYGPRWQEVIPYTPAMQRYVKRLHEVGRTEPELLVAHAYTRYLGDLSGGQVLKKIAQKALDLPSSGEGLAFFTFPNIASATKFKQLYRSRMNSLEMTPAVRQRVIEEAKTAFLLNIQLFEELQELLTH-----------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1N45.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110806 for 1643 contacts (-67.4/contact) +
2D Compatibility (PS) -23822 + (NN) -20839 + (LL) 4096
1D Compatibility (HY) -29200 + (ID) 10700
Total energy: -191271.0 ( -116.42 by residue)
QMean score : 0.600
(partial model without unconserved sides chains):
PDB file :
Tito_1N45.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1N45-query.scw
PDB file :
Tito_Scwrl_1N45.pdb
: