Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKDTLFNESLNKRFCFDEKVAHVFDDMLERSIPYYHEMLNLGAYFIAQNLKENVYHKSLPKPLIYDLGCSTGNFFIALNQQIQQD-IELVGIDNSMPMLKKAQEKLKDF---NNVRFECMDFLEVKFKEASAFSLLFVLQFVRPMQREVLLKKIYNSLALNGVLLVGEKIMSEDRILDKQMIELYYLYKQNQGYSHNEIAFKREALENVLVPYSLKENIALLESVGFKHVEALFKWVNFTLLVARKT
4GEK Chain:A ((32-257))
-------------WTFDERVAEVFPDMIQRSVPGYSNIISMIGMLAERFVQ--------PGTQVYDLGCSLGAATLSVRRNIHHDNCKIIAIDNSPAMIERCRRHIDAYKAPTPVDVIEGDIRDIAIENASMVVLNFTLQFLEPSERQALLDKIYQGLNPGGALVLSEKFSFEDAKVGELLFNMHHDFKRANGYSELEISQKRSMLENVMLTDSVETHKARLHKAGFEHSELWFQCFNFGSLVALKA
General information:
TITO was launched using:
RESULT:
Template:
4GEK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -154864 for 1827 contacts (-84.8/contact) +
2D Compatibility (PS) -23857 + (NN) -7902 + (LL) 1376
1D Compatibility (HY) -17200 + (ID) 3850
Total energy: -206297.0 ( -112.92 by residue)
QMean score : 0.495
(partial model without unconserved sides chains):
PDB file :
Tito_4GEK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GEK-query.scw
PDB file :
Tito_Scwrl_4GEK.pdb
: