Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEWSQIFHDITTKHDFKAMHDFLEKEYSTA-IVYPDRENIYQAFDLTPFENIKVVILGQDPYHGPNQAHGLAFSVQPNAKFPPSLRNMYKELADDIGCVRQTPH--LQDWAREGVLLLNTVLTVRQGEANSHRDIGWETFTDEIIKAVSDYKEHVVFILWGKPAQQKIKLIDTSKHCIIKSVHPSPLSAYRGFFGSKPYSKANAYLESVGKSPINWCESEA
2JHQ Chain:A ((5-220))
LTWHDVIGNEKQQAYFQQTLQFVESQRQAGKVIYPPAKDVFNAFRFTEFGDVKVVILGQDPYHGPNQAHGLCFSVLPGVKTPPSLVNIYKELAQDIPGFQIPPHGYLQSWAQQGVLLLNTVLTVEQGMAHSHANTGWETFTDRVIDALNQHRNGLIFLLWGSHAQKKGQMIDRQRHHVLMAPHPSPLSAHRGFLGCRHFSKTNQLLQAQGIAPINW-----
General information:
TITO was launched using:
RESULT:
Template:
2JHQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128828 for 1714 contacts (-75.2/contact) +
2D Compatibility (PS) -22452 + (NN) -6439 + (LL) 380
1D Compatibility (HY) -20000 + (ID) 5350
Total energy: -182689.0 ( -106.59 by residue)
QMean score : 0.636
(partial model without unconserved sides chains):
PDB file :
Tito_2JHQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JHQ-query.scw
PDB file :
Tito_Scwrl_2JHQ.pdb
: