Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERPQPDSMPQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYVALEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYGPRWQEVIPYTPAMQRYVKRLHEVGRTEPELLVAHAYTRYLGDLSGGQVLKKIAQKALDLPSSGEGLAFFTFPNIASATKFKQLYRSRMNSLEMTPAVRQRVIEEAKTAFLLNIQLFEELQELLTHDTKDQSPSRAPGLRQRASNKVQDSAPVETPRGKPPLNTRSQAPLLRWVLTLSFLVATVAVGLYAM
3I9T Chain:A ((11-222))
----------QDLSEALKEATKEVHIRAENSEFMRNFQKGQVSREGFKLVMASLYHIYTALEEEIERNKQNPVYAPLYFPEELHRRAALEQDMAFWYGPHWQEAIPYTPATQHYVKRLHEVGGTHPELLVAHAYTRYLGDLSGGQVLKKIAQKAMALPSSGEGLAFFTFPSIDNPTKFKQLYRARMNTLEMTPEVKHRVTEEAKTAFLLNIELFEELQALLT------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3I9T.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106510 for 1667 contacts (-63.9/contact) +
2D Compatibility (PS) -23342 + (NN) -19649 + (LL) 4000
1D Compatibility (HY) -26000 + (ID) 9000
Total energy: -180501.0 ( -108.28 by residue)
QMean score : 0.622
(partial model without unconserved sides chains):
PDB file :
Tito_3I9T.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3I9T-query.scw
PDB file :
Tito_Scwrl_3I9T.pdb
: