Table 2. Intermonomeric salt bridges of FCSQ and DCSQ2.
FCSQ | Dog CSQ2 | |||||||
Salt Bridge | Distance (Å) | U(r) (kcal/mol) | ε(r) = Deff | U(ε(r)) (kcal/mol) | Distance (Å) | U(r) (kcal/mol) | ε(r) = Def | U(ε(r)) (kcal/mol) |
D13–K45’ | 3.01 | 18.79 | 6.0 | 3.12 | 2.95 | 21.47 | 5.9 | 3.64 |
D13–K49’ | 2.86 | 23.61 | 5.7 | 4.13 | 2.91 | 23.85 | 5.8 | 4.10 |
D13’–K49 | 2.90 | 15.43 | 5.8 | 2.66 | 2.89 | 15.84 | 5.8 | 2.74 |
E300–K68’ | 3.11 | 22.94 | 6.2 | 3.69 | 2.95 | 22.54 | 5.9 | 3.82 |
E59–K49’ | 3.08 | 22.29 | 6.2 | 3.62 | 3.02 | 22.67 | 6.0 | 3.75 |
E59’-K49 | 2.74 | 26.76 | 5.5 | 4.88 | 2.83 | 26.47 | 5.7 | 4.68 |
Distance is measured from the center of mass of the nitrogen basic residue (donor) and the center of mass of the oxygen in the acidic residue (acceptor). U(r) is the interaction energy with no solvent screening effect. Deff is as described in the methods using a value of A = 2. U(ε(r)) is the interaction energy calculated using Deff that incorporates solvent screening.