Parameters for run 879dd602032d9c8b72e1271c5af3fda3 from Tue Apr 13 14:50:29 2021

* PDB STRUCTURE INFO 
PDB ID: S142ELbADH.pdb
Chain identifier to design: A

* DESIGN CONSTRAINTS
Amino acid positions to diversify: 92A 93A 94A 95A 109A 143A 152A 154A 156A 157A 158A 188A 195A 198A
Essential amino acid residues: 113A 141A 142A 144A 155A 159A 189A 205A
Ligand to keep during simulations: 1270A, 1682A
Ions to keep during simulations: none

* SEQUENCE SPACE THRESHOLDS
Minimal number of mutations per design: 
Maximal number of mutations per design: 
Minimal PSSM threshold: 
ΔΔG: 
Total number of designs in tolerated sequence space: 

* MSA GENERATION
Min ID: 35
Max targets: 4000
Coverage: 75
E value: 0.0001

* NOTES
single mutant on serine position, tyrosine flexible

