Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERPQLDSMSQDLSEALKEATKEVHIRAENSEFMRNFQKGQVSREGFKLVMASLYHIYTALEEEIERNKQNPVYAPLYFPEELHRRAALEQDMAFWYGPHWQEAIPYTPATQHYVKRLHEVGGTHPELLVAHAYTRYLGDLSGGQVLKKIAQKAMALPSSGEGLAFFTFPSIDNPTKFKQLYRARMNTLEMTPEVKHRVTEEAKTAFLLNIELFEELQALLTEEHKDQSPSQTEFLRQRPASLVQDTTSAETPRGKSQISTSSSQTPLLRWVLTLSFLLATVAVGIYAM
1IX3 Chain:A ((11-243))
----------QDLSEALKEATKEVHIRAENSEFMRNFQKGQVSREGFKLVMASLYHIYTALEEEIERNKQNPVYAPLYFPEELHRRAALEQDMAFWYGPHWQEAIPYTPATQHYVKRLHEVGGTHPELLVAHAYTRYLGDLSGGQVLKKIAQKAMALPSSGEGLAFFTFPSIDNPTKFKQLYRARMNTLEMTPEVKHRVTEEAKTAFLLNIELFEELQALL-----------TEFLRQRPASL----------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1IX3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -97974 for 1763 contacts (-55.6/contact) +
2D Compatibility (PS) -24406 + (NN) -20122 + (LL) 4572
1D Compatibility (HY) -29200 + (ID) 11100
Total energy: -178230.0 ( -101.09 by residue)
QMean score : 0.651
(partial model without unconserved sides chains):
PDB file :
Tito_1IX3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1IX3-query.scw
PDB file :
Tito_Scwrl_1IX3.pdb
: