Table S1.
Protein side-chain atom | NPG atom | Distance in chain A (Å) | Distance in chain B (Å) | TDG atom | Distance in chain A (Å) | Distance in chain B (Å) |
E269 OE1 | O4 | 2.9 | 3.2 | O4 | 2.7 | (3.6) |
E269 OE2 | O4 | 3.2 | (3.8) | O4 | 3.4 | (4.3) |
E269 OE2 | O3 | 2.8 | 2.8 | O3 | 3.1 | (4.3) |
R144 NH1 | O6 | 3.0 | 2.8 | O6 | 2.5 | 2.6 |
R144 NH2 | O6 | (3.7) | 3.0 | O6 | (4.1) | 3.5 |
R144 NH2 | E126 OE2 | 3.2 | 3.5 | E126 OE2 | 2.8 | 2.8 |
R144 NH2 | O5 | (3.6) | 3.0 | O5 | (4.1) | 3.2 |
R144 NE | E126 OE2 | (3.6) | 3.0 | E126 OE2 | (3.9) | 2.6 |
H322 NE2 | O2 | 3.4 | (3.7) | O2 | (4.2) | (4.1) |
H322 NE2 | O3 | 3.1 | (3.9) | O3 | (3.5) | 3.2 |
H322 ND1 | E325 OE2 | 3.2 | (3.7) | E325 OE2 | 3.3 | 3.5 |
H322 ND1 | Y236O | 3.3 | 3.0 | Y236O | 3.1 | 2.8 |
N272 ND2 | O4 | 3.3 | 2.9 | O4 | 3.1 | 3.2 |
F27 CE2 | C11 | (4.0) | (3.6) | C6′ | (3.8) | (3.7) |
M23 SD | C10 | 3.5 | (4.3) | C5′ | (4.5) | (5.4) |
C148 SG | O4 | (3.9) | 3.1 | O4 | (4.6) | (5.2) |
C148 SG | O6 | 3.1 | 3.2 | O6 | (4.1) | (4.3) |
Bold numbers indicate distances that are longer than hydrogen bonding.