Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGLTKIEIITRPNRFHLFQKELAKIGVSGLTVTKALGTGLEKGFIELYRGTKKESNIHERMKIEIVVSTVPVEDVLRVVKETLRTGEPGDGKVFIYPLAEVVKISTGETGIDALQDKPSK
3NCQ Chain:A ((1-112))
---MKKIEAIVRAEKFPEVKAALEERGFYGMTVTDVKGRGQQGGMQIQFRGRTMEVTLLPKVKLEIVVKDDAVEEVIGLIVNSAFTGSPGDGKIFIIPVEDVVRIRTGERGDDSL------
General information:
TITO was launched using:
RESULT:
Template:
3NCQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -51649 for 716 contacts (-72.1/contact) +
2D Compatibility (PS) -12177 + (NN) -5330 + (LL) 12
1D Compatibility (HY) -8400 + (ID) 2250
Total energy: -79794.0 ( -111.44 by residue)
QMean score : 0.615
(partial model without unconserved sides chains):
PDB file :
Tito_3NCQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NCQ-query.scw
PDB file :
Tito_Scwrl_3NCQ.pdb
: