Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVRRITLNSNFMFGASDIKSLP--NESAPEIAFAGRSNVGKSSLINLLINSKKAARVSSKPGCTRQINFYSMYNDKFR--LVDLPGYGCSHASKDETIQ--------YLGLVEYYLIHRRNLRRVFVLIDSKVRL-KEIDKDFIYWLTYNNINFDVVLTKIDKVDRENLDAIIESTRKWINNESVSIRQISVRVKYEMTKVRDEFFKFTR
2E87 Chain:A ((157-335))
-----------------LKDLPVVDLEIPTVVIAGHPNVGKSTLLKALTTAK--PEIASYPFTTRGINVGQFEDGYFRYQIIDTPGLLDRPISERNEIEKQAILALRYLGNLIIYIFDPSE--HCGFPLEEQIHLFEEVHGEF------KDLPFLVVINKIDVADEEN----IKRLEKFVKEKGLNPIKISALKGTGIDLVKEEIIKTLR
General information:
TITO was launched using:
RESULT:
Template:
2E87.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63627 for 1238 contacts (-51.4/contact) +
2D Compatibility (PS) -17829 + (NN) -5378 + (LL) 2888
1D Compatibility (HY) -12000 + (ID) 2550
Total energy: -98496.0 ( -79.56 by residue)
QMean score : 0.483
(partial model without unconserved sides chains):
PDB file :
Tito_2E87.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2E87-query.scw
PDB file :
Tito_Scwrl_2E87.pdb
: