22Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | S | sing | 1.71Å | 1.72Å | |
| C | CA | doub | 1.39Å | 1.40Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| N | C1 | doub | 1.30Å | 1.35Å | |
| N | CA | sing | 1.34Å | 1.35Å | |
| S | HS | sing | 1.41Å | 1.30Å | |
| C1 | C4 | sing | 1.51Å | 1.40Å | |
| C1 | C5 | sing | 1.46Å | 1.40Å | |
| N1 | C2 | sing | 1.35Å | 1.40Å | |
| N1 | C5 | sing | 1.35Å | 1.40Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | CA | sing | 1.47Å | 1.39Å | |
| O3 | C5 | doub | 1.22Å | 1.23Å | |
| C4 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S | C | CA | 119.2° | 120.0° |
| S | C | H | 120.4° | 120.0° |
| C | S | HS | 102.0° | 100.0° |
| CA | C | H | 120.4° | 119.9° |
| C | CA | N | 120.7° | 120.0° |
| C | CA | C2 | 119.9° | 120.1° |
| C1 | N | CA | 122.9° | 120.6° |
| N | C1 | C4 | 118.8° | 119.7° |
| N | C1 | C5 | 119.6° | 120.6° |
| N | CA | C2 | 119.4° | 119.9° |
| C4 | C1 | C5 | 121.6° | 119.7° |
| C1 | C4 | C6 | 117.4° | 109.4° |
| C1 | C4 | H4 | 107.4° | 109.5° |
| C1 | C4 | H4A | 107.4° | 109.4° |
| C1 | C5 | N1 | 119.1° | 120.1° |
| C1 | C5 | O3 | 122.0° | 120.0° |
| C2 | N1 | C5 | 119.3° | 119.4° |
| C2 | N1 | HN1 | 120.3° | 120.3° |
| N1 | C2 | O2 | 118.5° | 120.2° |
| N1 | C2 | CA | 119.6° | 119.4° |
| C5 | N1 | HN1 | 120.4° | 120.3° |
| N1 | C5 | O3 | 118.9° | 120.0° |
| O2 | C2 | CA | 121.9° | 120.3° |
| C6 | C4 | H4 | 107.4° | 109.5° |
| C6 | C4 | H4A | 107.4° | 109.5° |
| C4 | C6 | C7 | 111.7° | 109.5° |
| C4 | C6 | C8 | 109.1° | 109.5° |
| C4 | C6 | H6 | 108.9° | 109.5° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| C7 | C6 | C8 | 108.8° | 109.5° |
| C7 | C6 | H6 | 109.1° | 109.5° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C6 | C7 | H7A | 109.5° | 109.5° |
| C6 | C7 | H7B | 109.4° | 109.4° |
| C8 | C6 | H6 | 109.2° | 109.4° |
| C6 | C8 | H8 | 109.5° | 109.4° |
| C6 | C8 | H8A | 109.5° | 109.5° |
| C6 | C8 | H8B | 109.4° | 109.4° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H8 | C8 | H8B | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | C | CA | H | 180.0° | 179.7° |
| S | C | CA | N | 17.1° | 0.0° |
| S | C | CA | C2 | 163.4° | 180.0° |
| C | CA | N | C1 | 179.9° | 180.0° |
| C | CA | N | C2 | 179.5° | 179.9° |
| CA | C | S | HS | 180.0° | 180.0° |
| C | CA | C2 | N1 | 179.9° | 179.9° |
| C | CA | C2 | O2 | 0.2° | 0.0° |
| H | C | CA | N | 162.9° | 179.7° |
| H | C | S | HS | 0.0° | 0.3° |
| H | C | CA | C2 | 16.6° | 0.2° |
| N | C1 | C4 | C5 | 179.5° | 180.0° |
| N | C1 | C5 | N1 | 0.5° | 0.0° |
| C1 | N | CA | C2 | 0.4° | 0.0° |
| N | C1 | C5 | O3 | 179.9° | 180.0° |
| N | C1 | C4 | C6 | 110.4° | 0.0° |
| N | C1 | C4 | H4 | 10.7° | 120.0° |
| N | C1 | C4 | H4A | 128.4° | 120.0° |
| CA | N | C1 | C4 | 179.6° | 180.0° |
| CA | N | C1 | C5 | 0.0° | 0.0° |
| N | CA | C2 | N1 | 0.4° | 0.0° |
| N | CA | C2 | O2 | 179.7° | 180.0° |
| C4 | C1 | C5 | N1 | 180.0° | 179.9° |
| C4 | C1 | C5 | O3 | 0.4° | 0.0° |
| C1 | C4 | C6 | H4 | 121.1° | 120.0° |
| C1 | C4 | C6 | H4A | 121.1° | 120.0° |
| C1 | C4 | H4 | H4A | 116.4° | 120.0° |
| C1 | C4 | C6 | C7 | 57.8° | 65.0° |
| C1 | C4 | C6 | C8 | 178.2° | 175.0° |
| C1 | C4 | C6 | H6 | 62.7° | 55.0° |
| C1 | C5 | N1 | C2 | 0.4° | 0.0° |
| C1 | C5 | N1 | O3 | 179.7° | 179.9° |
| C1 | C5 | N1 | HN1 | 179.6° | 180.0° |
| C5 | C1 | C4 | C6 | 70.0° | 180.0° |
| C5 | C1 | C4 | H4 | 168.8° | 60.0° |
| C5 | C1 | C4 | H4A | 51.1° | 60.0° |
| C2 | N1 | C5 | HN1 | 180.0° | 180.0° |
| N1 | C2 | O2 | CA | 179.9° | 180.0° |
| C2 | N1 | C5 | O3 | 179.9° | 180.0° |
| C5 | N1 | C2 | O2 | 179.9° | 180.0° |
| C5 | N1 | C2 | CA | 0.0° | 0.0° |
| HN1 | N1 | C2 | O2 | 0.1° | 0.1° |
| HN1 | N1 | C2 | CA | 180.0° | 180.0° |
| HN1 | N1 | C5 | O3 | 0.1° | 0.0° |
| C6 | C4 | H4 | H4A | 116.4° | 120.1° |
| C4 | C6 | C7 | C8 | 120.5° | 120.0° |
| C4 | C6 | C7 | H6 | 120.5° | 120.0° |
| C4 | C6 | C8 | H6 | 118.9° | 120.0° |
| C4 | C6 | C7 | H7 | 180.0° | 60.0° |
| C4 | C6 | C7 | H7A | 60.0° | 180.0° |
| C4 | C6 | C7 | H7B | 60.0° | 60.0° |
| C4 | C6 | C8 | H8 | 180.0° | 60.0° |
| C4 | C6 | C8 | H8A | 60.0° | 180.0° |
| C4 | C6 | C8 | H8B | 60.0° | 60.0° |
| H4 | C4 | C6 | C7 | 63.3° | 55.0° |
| H4 | C4 | C6 | C8 | 57.0° | 65.0° |
| H4 | C4 | C6 | H6 | 176.1° | 175.0° |
| H4A | C4 | C6 | C7 | 179.0° | 175.0° |
| H4A | C4 | C6 | C8 | 60.7° | 55.0° |
| H4A | C4 | C6 | H6 | 58.4° | 65.0° |
| C7 | C6 | C8 | H6 | 119.0° | 120.0° |
| C6 | C7 | H7 | H7A | 120.0° | 120.0° |
| C6 | C7 | H7 | H7B | 120.0° | 120.0° |
| C6 | C7 | H7A | H7B | 120.0° | 120.0° |
| C7 | C6 | C8 | H8 | 57.9° | 180.0° |
| C7 | C6 | C8 | H8A | 62.1° | 60.0° |
| C7 | C6 | C8 | H8B | 177.9° | 60.0° |
| C8 | C6 | C7 | H7 | 59.5° | 60.0° |
| C8 | C6 | C7 | H7A | 179.5° | 60.0° |
| C8 | C6 | C7 | H7B | 60.5° | 180.0° |
| C6 | C8 | H8 | H8A | 120.0° | 120.0° |
| C6 | C8 | H8 | H8B | 120.0° | 119.9° |
| C6 | C8 | H8A | H8B | 120.0° | 119.9° |
| H6 | C6 | C7 | H7 | 59.5° | 180.0° |
| H6 | C6 | C7 | H7A | 60.5° | 60.0° |
| H6 | C6 | C7 | H7B | 179.5° | 60.0° |
| H6 | C6 | C8 | H8 | 61.0° | 60.1° |
| H6 | C6 | C8 | H8A | 178.9° | 60.0° |
| H6 | C6 | C8 | H8B | 59.0° | 180.0° |
| H7 | C7 | H7A | H7B | 120.0° | 120.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.1° |
