Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEIWDAYDQYGFITGLTLNRDQNIPQGLFHLVVDVILFHEDGDVLMMKRHPKKKAFPAYFEATAGGSALKGENAKQAILRELKEETGIVPQCLTFLNREWFSERSYFVDHFIAKYNGAKDIITLQE----GETV-DYIWLKPEYIDLFLSKNKLIPSQI-K-LLKSLI-----------
1I9A Chain:A ((4-181))
-EHVILLNAQGVPTGTLEKYAAHTADTRLHLAFSSWLFNAKGQLLVTRRALSKKAWPGVWTNSVCGHPQLGESNEDAVIRRCRYELGVEITPPESIYPDFRYRATDPSGIVENEVCPVFAARTTSALQINDDEVMDYQWCDLADVLHGIDATPWAFSPWMVMQATNREARKRLSAFTQL
General information:
TITO was launched using:
RESULT:
Template:
1I9A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -39654 for 1192 contacts (-33.3/contact) +
2D Compatibility (PS) -17240 + (NN) -7202 + (LL) 208
1D Compatibility (HY) 400 + (ID) 1400
Total energy: -64888.0 ( -54.44 by residue)
QMean score : 0.298
(partial model without unconserved sides chains):
PDB file :
Tito_1I9A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1I9A-query.scw
PDB file :
Tito_Scwrl_1I9A.pdb
: