TABLE 2.
Hydrogen bonds, salt bridges, and hydrophobic interactions in the 3D structure of ETD_Sa.
| H-bonds | |||
|---|---|---|---|
| Network ID | Donor–acceptor | Distance | Angle DHA (degrees) |
| 1 | LYS43-NZ–GLU203-OE1 | 2.85 | 133.63 |
| 2 | ARG44-NH2–GLU45-OE2 | 2.52 | 148.13 |
| 3 | HIS99-ND1–ASP147-OD2 | 3.17 | 156.55 |
| 4 | HIS99-NE2–SER221-OG | 3.11 | 141.01 |
| 5 | ARG199-NH2–SER184-OG | 3.08 | 149.51 |
| 6 | ASN220-ND2–SER223-OG | 3.15 | 161.2 |
| 7 | ASN227-ND2–GLU231-OE1 | 2.89 | 172.47 |
| 8 | ASN244-ND2–ARG44-NH1 | 3.08 | 160.42 |
| 9 | GLN279-NE2–THR93-OG1 | 2.92 | 137.44 |
| 10 | THR109-OG1–ASP107-OD1 | 3.19 | 161.11 |
| 11 | THR109-OG1–ASP107-OD2 | 3.32 | 142.7 |
| 12 | TYR125-OH–THR194-OG1 | 2.8 | 167.92 |
| 13 | TYR142-OH–ASP271-OD2 | 3.27 | 172.3 |
| 15 | SER161-OG–ASN92-OD1 | 3.01 | 158.93 |
| 16 | TYR198-OH–SER193-OG | 2.9 | 176.31 |
| 17 | TYR215-OH–GLU217-OE2 | 2.95 | 172.48 |
| 18 | THR216-OG1–HIS236-NE2 | 3.2 | 152.06 |
| 19 | SER264-OG–ASP262-OD2 | 3.14 | 161.6 |
| Salt bridges | ||
|---|---|---|
| Residue 1 | Residue 2 | Distance (Å) |
| NZ LYS A 43 | OE1 GLU A 203 | 2.8 |
| NH2 ARG A 44 | OE1 GLU A 45 | 2.5 |
| NZ LYS A 61 | OE1 GLU A 121 | 3.0 |
| NZ LYS A 91 | OD2 ASP A 164 | 2.9 |
| NE2 HIS A 99 | OD2 ASP A 147 | 3.2 |
| OE1 GLU A 135 | NZ LYS A 152 | 2.8 |
| OD2 ASP A 174 | NZ LYS A 273 | 2.6 |
| Hydrophobic interactions | ||||
|---|---|---|---|---|
| Cluster Id | Area (A) | No. contacts | Contacts/residue | Area (A)/residue |
| 0 | 63.6 | 2 | 1.0 | 31.8 |
| 1 | 1922.9 | 49 | 3.3 | 39.2 |
| 2 | 926.2 | 21 | 2.6 | 44.1 |
| 3 | 62.9 | 2 | 1.0 | 31.5 |
| 4 | 75.1 | 2 | 1.0 | 37.6 |
| 5 | 1482.3 | 27 | 3.0 | 54.9 |
| 6 | 37.0 | 2 | 1.0 | 18.5 |
| 7 | 157.6 | 2 | 1.0 | 78.8 |