Table 1.
Donor D | Acceptor A | Distance (Å) D–A | Distance (Å) H–A | Angle (°) D—H–A | Type |
---|---|---|---|---|---|
C2B | O17 | 3.441 | 2.39 | 163 | SB/L/CHO |
C5B | O14 | 3.507 | 2.52 | 152 | SB/L/CHO |
C5D2 | O14 | 3.446 | 2.43 | 156 | SB/L/CHO |
C14B | O5 | 3.422 | 2.42 | 154 | SB/L/CHO |
C14D2 | O5 | 3.473 | 2.47 | 153 | SB/L/CHO |
C17B | O2 | 3.535 | 2.57 | 147 | SB/L/CHO |
C17D2 | O2 | 3.466 | 2.52 | 146 | SB/L/CHO |
C8B | O11 | 3.258 | 2.30 | 147 | SB/T/CHO |
N10 | C14R‡ | 3.611 | 2.67 | 152 | BS/T/NHπ |
N11 | O8 | 3.014 | 2.01 | 164 | BB/T/NHO |
SB/L/CHO: Side chain to backbone lateral (interhelix) hydrogen bond (C—H—O). BB/T/NHO: Backbone to backbone turn stabilizing hydrogen bond (N—H—O). SB/T/CHO: Side chain to backbone turn stabilizing hydrogen bond (C—H—O). BS/T/NHπ: Backbone to aromatic ring center of the side chain interaction (N—H—π) at the turn region.
Helix stabilizing 4 → 1(N—H—O) hydrogen bonds are not shown (see Table 3).
C14R is the pseudo atom at the ring-center of the side chain of the residue ΔPhe14.