Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKGYLANVNGQQDIQDVYADVKDLLGGLKK
1S3G Chain:A ((1-214))
MNIVLMGLPGAGKGTQADRIVEKYGTPHISTGDMFRAAIQEGTELGVKAKSFMDQGALVPDEVTIGIVRERLSKSDCDNGFLLDGFPRTVPQAEALDQLLADMGRKIEHVLNIQVEKEELIARLTGRRICKVCGTSYHLLFNPPQVEGKCDKDGGELYQRADDNPDTVTNRLEVNMNQTAPLLAFYDSKEVLVNINGQKDIKDVFKDLDVILQG---
General information:
TITO was launched using:
RESULT:
Template:
1S3G.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -88401 for 1647 contacts (-53.7/contact) +
2D Compatibility (PS) -23883 + (NN) -17981 + (LL) 304
1D Compatibility (HY) -26400 + (ID) 7350
Total energy: -163711.0 ( -99.40 by residue)
QMean score : 0.561
(partial model without unconserved sides chains):
PDB file :
Tito_1S3G.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1S3G-query.scw
PDB file :
Tito_Scwrl_1S3G.pdb
: