Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEIWDAYDQYGFITGLTLNRDQNIPQGLFHLVVDVILFHEDGDVLMMKRHPKKKAFPAYFEATAGGSALKGENAKQAILRELKEETGIVPQCLTFLNREWFS--ERSYFVDHFIAKYNGAKDIITLQEGETVDYIWLKPEYIDLFLSKNKLIPSQIKLLKSLI
3GRN Chain:A ((4-132))
-------------------------EKPYIISVYALIRNEKGEFLLLRRSENSRTNAGKWDLP-GGKVNPDESLKEGVAREVWEETGITMVPGDIAGQVNFELTEKKVIAIVFDGG--YVVADVK-LSYEHIEYSWVSLEKILGME---TLPAYFRDFFERFD
General information:
TITO was launched using:
RESULT:
Template:
3GRN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -56466 for 923 contacts (-61.2/contact) +
2D Compatibility (PS) -13340 + (NN) -1905 + (LL) 1752
1D Compatibility (HY) -2400 + (ID) 1250
Total energy: -73609.0 ( -79.75 by residue)
QMean score : 0.422
(partial model without unconserved sides chains):
PDB file :
Tito_3GRN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GRN-query.scw
PDB file :
Tito_Scwrl_3GRN.pdb
: