Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLSIVVAPDERLTTRASEVTGINDKIKELVNDMFETMYNAEGLGLAAVQIGVLKRIFVMDIQLEDIKGEPVGYESTGKFCMINPEITELSDEQVILKEGCLSIPEQSHEIRRPKYLTVKYKDLNNKEQTLKASGWLARCIQHELDHLNGILYIRHLSKLKYDMAMKKAEKFKRHYER
2W3T Chain:A ((1-163))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENR----------DERLVLINPELLEKSGE-TGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKAR
General information:
TITO was launched using:
RESULT:
Template:
2W3T.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -88604 for 1271 contacts (-69.7/contact) +
2D Compatibility (PS) -17318 + (NN) -1229 + (LL) 576
1D Compatibility (HY) -13200 + (ID) 3550
Total energy: -123325.0 ( -97.03 by residue)
QMean score : 0.471
(partial model without unconserved sides chains):
PDB file :
Tito_2W3T.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2W3T-query.scw
PDB file :
Tito_Scwrl_2W3T.pdb
: