Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAYKGYLIDLDGTIYKGKSRIPAGERFIERLQEKGIPYMLVTNNTTRTPESVQEMLRGFNVETPLETIYTATMATVDYMNDMNRGKTAYVIGEEGLKKAIADAGYVEDTKNPAYVVVGLDWNVTYDKLATATLAIQNGALFIGTNPDLNIPTERGLLPGAGSLNALLEAATRIKPVFIGKPNAIIMNKALEILNIPRNQAVMVGDNYLTDIMAGINNDIDTLLVTTGFTTVEEVPDLPIQPSYVLASLDEWTFNEG
4KN8 Chain:A ((16-266))
--YNGYLIDLDGTMYRGTERIDAASGFIKELNRLHIPYLFVTNNSTRTPEQVADKLVSLDIPATPEQIFTSSMATANYVYDLDQNAMIYFIGEEGLYKALKEKGFSFADENADVVIVGLDREVTYEKLAVACLAVRNGAKLISTNGDLALPTERGFMPGNGAFTALISHSTQVKATFVGKPEPIIMEQALKVLGTNKNETIMVGDNYDTDILAGIRAGLDTLLVHTGVTTVEKLKEYKQQPTYSMKSLDDWKFL--
General information:
TITO was launched using:
RESULT:
Template:
4KN8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161784 for 2147 contacts (-75.4/contact) +
2D Compatibility (PS) -27971 + (NN) -12889 + (LL) 376
1D Compatibility (HY) -27600 + (ID) 6350
Total energy: -236218.0 ( -110.02 by residue)
QMean score : 0.675
(partial model without unconserved sides chains):
PDB file :
Tito_4KN8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KN8-query.scw
PDB file :
Tito_Scwrl_4KN8.pdb
: