Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHSSNDETKKKHEIDDLPKFFKEKSKEIGKAFSNKVVEISIIRSISVTSDEQEFSFKLRLLTIVDKDTHSIWILR
3PEG Chain:A ((229-257))
-----------------------------SVFLNDIYYASEIEEICLV-DENQFTLTIANQGTPLTFMHQECEAI
General information:
TITO was launched using:
RESULT:
Template:
3PEG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -6357 for 102 contacts (-62.3/contact) +
2D Compatibility (PS) -2984 + (NN) 1227 + (LL) 1328
1D Compatibility (HY) -2800 + (ID) 400
Total energy: -9986.0 ( -97.90 by residue)
QMean score : 0.466
(partial model without unconserved sides chains):
PDB file :
Tito_3PEG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PEG-query.scw
PDB file :
Tito_Scwrl_3PEG.pdb
: