Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERPQPDSMPQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYVALEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYG-PRWQEVIPYTPAMQRYVKRLHEVGRTEPEL-LVAHAYTRYLGDLSGGQVLKKIAQKALDLPSSGEGLAFFTFPNIASATKFKQLYRSRMNSLEMTPAVRQRVIEEAKTAFLLNIQLFEELQELLTHDTKDQSPSRAPGLRQRASNKVQDSAPVETPRGKPPLNTRSQAPLLRWVLTLSFLVATVAVGLYAM
1WZD Chain:A ((7-214))
-----------GLAVELKQSTAQAHEKAEHSTFMSDLLKGRLGVAEFTRLQEQAWLFYTALEQAVDAVRASGFAESLLDP-ALNRAEVLARDLDKLNGSSEWRSRITASPAVIDYVNRLEEIRDNVDGPALVAHHYVRYLGDLSGGQVIARMMQRHYGVD--PEALGFYHFEGIAKLKVYKDEYREKLNNLELSDEQREHLLKEATDAFVFNHQVFADLGKG--------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1WZD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107513 for 1633 contacts (-65.8/contact) +
2D Compatibility (PS) -22771 + (NN) -18076 + (LL) 4396
1D Compatibility (HY) -16000 + (ID) 3550
Total energy: -163514.0 ( -100.13 by residue)
QMean score : 0.550
(partial model without unconserved sides chains):
PDB file :
Tito_1WZD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WZD-query.scw
PDB file :
Tito_Scwrl_1WZD.pdb
: