Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPNHIVLYQPEIPANTGNISRTCAGTDTYLHLIRPLGFSTDDKMLKRAGLDYWDNVKLSYYDSLDEFFEKNEGGEFYYITKFGRHVYSDIDYSDTNKDYFFVFGKETTGLPDALLQE-NEENCLRIPMTDHIRSLNLSNTAAILAYEALRQQNF-GALLQEPNYDRKIFQD
4JAK Chain:A ((10-164))
MALNIVLYEPEIPPNTGNIIRLCANTGFRLHIIEPMGFAWDDKRLRRAGLDYHEFTAVTRHHDYRAFLEAENPQRLFALTTKGTPAHSAVSYQDGD---YLMFGPETRGLPASILDALPAEQKIRIPMVPDSRSMNLSNAVSVVVYEAWRQLGYPGAV-------------
General information:
TITO was launched using:
RESULT:
Template:
4JAK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85106 for 1151 contacts (-73.9/contact) +
2D Compatibility (PS) -16589 + (NN) -6462 + (LL) 820
1D Compatibility (HY) -12400 + (ID) 3350
Total energy: -123087.0 ( -106.94 by residue)
QMean score : 0.430
(partial model without unconserved sides chains):
PDB file :
Tito_4JAK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JAK-query.scw
PDB file :
Tito_Scwrl_4JAK.pdb
: