Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTAFDLEDFLTTAITDYAKEKVEAGTWDEEESLAKSQDSFNKLLYDGITTPNEYLYSIIS--GEKIGYIWFHVDET--RSGKHAFIYDFVIFEAFRGKGFGTKTLAALDVLAKEMQITKIGLHVFAHNQTAIGLYNKVGFQNTDITMAKYL
1VKC Chain:A ((16-158))
-GEEYIEEIKKLDREISYSF-V-RFPISY----EEYEERHEELFESLLSQGEHKFFVALNERSELLGHVWICITLDTVDYVKIAYIYDIEVVKWARGLGIGSALLRKAEEWAKERGAKKIVLRVEIDN-PAVKWYEERGYKARALIMEKPI
General information:
TITO was launched using:
RESULT:
Template:
1VKC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75666 for 888 contacts (-85.2/contact) +
2D Compatibility (PS) -14506 + (NN) -1035 + (LL) 852
1D Compatibility (HY) -6400 + (ID) 1450
Total energy: -98205.0 ( -110.59 by residue)
QMean score : 0.531
(partial model without unconserved sides chains):
PDB file :
Tito_1VKC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1VKC-query.scw
PDB file :
Tito_Scwrl_1VKC.pdb
: