BATTER: tyk2_rbfe:rep2

+1.31±0.02+2.26±0.02-0.51±0.02-0.92±0.02+2.67±0.04+0.91±0.02-1.52±0.03-0.29±0.05-3.13±0.04-1.21±0.05+0.47±0.02-1.97±0.02 EJM_46EJM_47EJM_52NEUJMC_31JMC_32NEUEJM_52CHARGJMC_32CHARG
+1.23±0.08+2.20±0.06-0.71±0.20-0.58±0.34+2.88±0.21+0.97±0.06-1.95±0.43-0.27±0.02-2.91±0.22-1.23±0.02+0.13±0.34-1.92±0.05 EJM_46EJM_47EJM_52NEUJMC_31JMC_32NEUEJM_52CHARGJMC_32CHARG
Direction mode: merged opposite directions Use mouse wheel to zoom and drag the background to pan Click a node to pin a ligand structure card Arrows point from labelA to labelB Edge labels show ΔΔG ± s.e. (kcal/mol) Edge thickness scales with |ΔΔG| Node colors use red → white → blue for negative → zero → positive ΔG
SFC correction view Network uses adjusted ΔΔG values from state-function correction when available Edge labels show adjusted ΔΔG ± pair error (kcal/mol) Node colors use SFC-corrected dG values
-1.8-0.80.21.22.13.1 JMC_31-1.75 ± 0.01JMC_32NEU-1.61 ± 0.02EJM_46-1.03 ± 0.01JMC_32CHARG-0.06 ± 0.03EJM_47+0.20 ± 0.01EJM_52NEU+1.17 ± 0.01EJM_52CHARG+3.09 ± 0.02 Absolute ΔG (kcal/mol)
SFC-adjusted dG valuesSFC error summary
Direction mode: merged opposite directions Click a ligand row to pin a ligand structure card
SFC correction view dG plot shows SFC-corrected ligand values with path-dependent error bars Orange markers/error bars show path-independent node error Error summary shows ligand path errors and per-edge pair errors