Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRVENLSIRRGGKTVLEGLELELRPGEMLGVLGPNGAGKSTLLGALCGELEPAEGLVLLDERGLDDWPGVARAQRLAVLPQSSSLGFAFPVEAVVGFGRLPHSSGRERDVQIVAEALAAADASHLAGRSYLALSGGERQRVHLARVLAQLWPGEPGQVLLLDEPTSALDPLHQHTTLQAVHDFARR-GASVLVILHDLNLAARYCDRLLLLQNGRPHLLGTPEEVLRPEPLRAVFGLEVLVQRHPERGHPLIVAR
3D31 Chain:A ((1-220))
MIEIESLSRKWKN-FSLDNLSLKVESGEYFVILGPTGAGKTLFLELIAGFHVPDSGRILLDGKDVTDLSP--EKHDIAFVYQNYSLFPHMNVKKNLEFGMRMKKI---KDPKRVLDTARDLKIEHLLDRNPLTLSGGEQQRVALARALVTNPK-----ILLLDEPLSALDPRTQENAREMLSVLHKKNKLTVLHITHDQTEARIMADRIAVVMDGKLIQVGKPEEIFEKPV-------------------------
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) -145141 for 1761 contacts (-82.4/contact) +
2D Compatibility (PS) -23840 + (NN) -13451 + (LL) 2460
1D Compatibility (HY) -11200 + (ID) 3700
Total energy: -194872.0 ( -110.66 by residue)
QMean score : 0.473
(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
: