Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLSIVVAPDERLTTRASEVTGINDKIKELVNDMFETMYNAEGLGLAAVQIGVLKRIFVMDIQLEDIKGEPVGYESTGKFCMINPEITELSDEQVILKEGCLSIPEQSHEIRRPKYLTVKYKDLNNKEQTLKASGWLARCIQHELDHLNGILYIRHLSKLKYDMAMKKAEKFKRHYER
1BS5 Chain:A ((3-163))
---LQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVID----------VSENRDERLVLINPELLEKSGETGI-EEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKAR
General information:
TITO was launched using:
RESULT:
Template:
1BS5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -95267 for 1241 contacts (-76.8/contact) +
2D Compatibility (PS) -17019 + (NN) -512 + (LL) 896
1D Compatibility (HY) -13600 + (ID) 3650
Total energy: -129152.0 ( -104.07 by residue)
QMean score : 0.477
(partial model without unconserved sides chains):
PDB file :
Tito_1BS5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1BS5-query.scw
PDB file :
Tito_Scwrl_1BS5.pdb
: