Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLSIVVAPDERLTTRASEVTGINDKIKELVNDMFETMYNAEGLGLAAVQIGVLKRIFVMDIQLEDIKGEPVGYESTGKFCMINPEITELSDEQVILKEGCLSIPEQSHEIRRPKYLTVKYKDLNNKEQTLKASGWLARCIQHELDHLNGILYIRHLSKLKYDMAMKKAEKFKRHYER
1XEN Chain:A ((3-163))
---LQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVID----------VSENRDERLVLINPELLEKSGETGI-EEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLK--
General information:
TITO was launched using:
RESULT:
Template:
1XEN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93963 for 1263 contacts (-74.4/contact) +
2D Compatibility (PS) -17019 + (NN) -512 + (LL) 1032
1D Compatibility (HY) -13600 + (ID) 3650
Total energy: -127712.0 ( -101.12 by residue)
QMean score : 0.486
(partial model without unconserved sides chains):
PDB file :
Tito_1XEN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XEN-query.scw
PDB file :
Tito_Scwrl_1XEN.pdb
: