Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLSIVVAPDERLTTRASEVTGINDKIKELVNDMFETMYNAEGLGLAAVQIGVLKRIFVMDIQLEDIKGEPVGYESTGKFCMINPEITELSDEQVILKEGCLSIPEQSHEIRRPKYLTVKYKDLNNKEQTLKASGWLARCIQHELDHLNGILYIRHLSKLKYDMAMKKAEKFKRHYER
1BS6 Chain:B ((3-163))
---LQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVID----------VSENRDERLVLINPELLEKSGETGI-EEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKAR
General information:
TITO was launched using:
RESULT:
Template:
1BS6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -92588 for 1248 contacts (-74.2/contact) +
2D Compatibility (PS) -17092 + (NN) -773 + (LL) 896
1D Compatibility (HY) -13600 + (ID) 3650
Total energy: -126807.0 ( -101.61 by residue)
QMean score : 0.482
(partial model without unconserved sides chains):
PDB file :
Tito_1BS6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1BS6-query.scw
PDB file :
Tito_Scwrl_1BS6.pdb
: