Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLVEIENLTKTYGSLKALDNISLKLPKQQFIGLLGPNGAGKTTLLKILAGLNLNYQGEVKILNQKIGI--ETKKSVAFLSDGDFLDPKLTPLKAIAFYKDFFSDFDESKALNLLKRFSVPL--KREFKALSKGMREKLQLILTLSRNASLYLFDEPVAGIDPIAREEIFELIAKEFS-QNASLLVSTHLVVDVEKYLDSAIFLKEAKVVAFGDVGELKKGYSSLEAAYKERLK
3D31 Chain:A ((1-219))
-MIEIESLSRKWKN-FSLDNLSLKVESGEYFVILGPTGAGKTLFLELIAGFHVPDSGRILLDGKDVTDLSPEKHDIAFVYQNYSLFPHMNVKKNLEFGMRMKKIKDPKRVLDTARDLKIEHLLDRNPLTLSGGEQQRVALARALVTNPKILLLDEPLSALDPRTQENAREMLSVLHKKNKLTVLHITHDQTEARIMADRIAVVMDGKLIQVGKPEEIFEKPVEGRVASFVGFE
General information:
TITO was launched using:
RESULT:
Template:
3D31.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114909 for 1704 contacts (-67.4/contact) +
2D Compatibility (PS) -22931 + (NN) -8144 + (LL) 384
1D Compatibility (HY) -10400 + (ID) 2650
Total energy: -158650.0 ( -93.10 by residue)
QMean score : 0.547
(partial model without unconserved sides chains):
PDB file :
Tito_3D31.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3D31-query.scw
PDB file :
Tito_Scwrl_3D31.pdb
: