Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKPLNTAQVFIGSDHAGLHLAEFVKHFLEDKRFKIQAFLPTTRVDYPDYAKLVCQKVLENAQSYGILVCATGIGMSMGANRFKGIRAALCLDAYMAKMTRLHNNANVLCLGEKISGIGVAESILEAFFSTEFEQGRHVLRIQKLDESLKS
3S5P Chain:A ((19-160))
----PGSMKVAFASDHGGRDLRMFLQQRASAHGYEVMDLGT------PDFAKIGCEAVTSGRADCCILVCGTGIGISIAANKMKGIRCALCSTEYDAEMARKHNNANALALGGRTTGPEVAASILSRFLSTNFEGGRHAARIAK-------
General information:
TITO was launched using:
RESULT:
Template:
3S5P.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129242 for 1099 contacts (-117.6/contact) +
2D Compatibility (PS) -14313 + (NN) -6765 + (LL) 852
1D Compatibility (HY) -7200 + (ID) 3000
Total energy: -159668.0 ( -145.28 by residue)
QMean score : 0.450
(partial model without unconserved sides chains):
PDB file :
Tito_3S5P.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S5P-query.scw
PDB file :
Tito_Scwrl_3S5P.pdb
: