TPQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.46Å | 1.46Å | |
| N | H | sing | 1.00Å | 1.02Å | |
| N | H2 | sing | 1.00Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.52Å | 1.52Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| CB | C1 | sing | 1.50Å | 1.51Å | |
| CB | HB2 | sing | 1.10Å | 1.09Å | |
| CB | HB3 | sing | 1.10Å | 1.09Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | OXT | sing | 1.36Å | 28.30Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å | |
| C1 | C2 | sing | 1.49Å | 1.49Å | |
| C1 | C6 | doub | 1.34Å | 1.40Å | |
| C2 | O2 | doub | 1.23Å | 1.33Å | |
| C2 | C3 | sing | 1.48Å | 1.39Å | |
| C3 | C4 | doub | 1.34Å | 1.40Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | O4 | sing | 1.38Å | 1.33Å | |
| C4 | C5 | sing | 1.48Å | 1.48Å | |
| O4 | HO4 | sing | 0.96Å | 0.95Å | |
| C5 | O5 | doub | 1.23Å | 1.34Å | |
| C5 | C6 | sing | 1.48Å | 1.39Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 114.3° | 118.0° |
| CA | N | H2 | 110.5° | 118.0° |
| N | CA | CB | 114.3° | 110.2° |
| N | CA | C | 112.0° | 106.3° |
| N | CA | HA | 109.5° | 109.6° |
| H | N | H2 | 110.4° | 122.6° |
| CB | CA | C | 104.7° | 112.9° |
| CB | CA | HA | 107.9° | 109.5° |
| CA | CB | C1 | 114.5° | 112.2° |
| CA | CB | HB2 | 108.6° | 111.1° |
| CA | CB | HB3 | 109.1° | 110.3° |
| C | CA | HA | 108.1° | 108.3° |
| CA | C | O | 114.7° | 125.2° |
| CA | C | OXT | 46.0° | 112.0° |
| C1 | CB | HB2 | 108.4° | 108.6° |
| C1 | CB | HB3 | 108.8° | 107.6° |
| CB | C1 | C2 | 119.9° | 117.3° |
| CB | C1 | C6 | 119.9° | 122.8° |
| HB2 | CB | HB3 | 107.2° | 106.9° |
| O | C | OXT | 89.6° | 122.8° |
| C | OXT | HXT | 46.0° | 114.8° |
| C2 | C1 | C6 | 120.2° | 120.0° |
| C1 | C2 | O2 | 119.8° | 122.0° |
| C1 | C2 | C3 | 119.5° | 117.7° |
| C1 | C6 | C5 | 120.3° | 122.3° |
| C1 | C6 | H6 | 120.2° | 121.2° |
| O2 | C2 | C3 | 120.8° | 120.3° |
| C2 | C3 | C4 | 120.0° | 121.9° |
| C2 | C3 | H3 | 119.7° | 116.8° |
| C4 | C3 | H3 | 120.2° | 121.3° |
| C3 | C4 | O4 | 121.2° | 122.6° |
| C3 | C4 | C5 | 120.5° | 120.6° |
| O4 | C4 | C5 | 118.3° | 116.8° |
| C4 | O4 | HO4 | 121.2° | 109.9° |
| C4 | C5 | O5 | 120.0° | 121.8° |
| C4 | C5 | C6 | 119.4° | 117.5° |
| O5 | C5 | C6 | 120.6° | 120.7° |
| C5 | C6 | H6 | 119.5° | 116.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 166.0° |
| N | CA | CB | C | 122.9° | 118.6° |
| N | CA | CB | HA | 122.1° | 120.6° |
| N | CA | C | HA | 120.8° | 117.8° |
| N | CA | CB | C1 | 47.7° | 179.3° |
| N | CA | CB | HB2 | 168.9° | 57.5° |
| N | CA | CB | HB3 | 74.5° | 60.8° |
| N | CA | C | O | 36.5° | 32.2° |
| N | CA | C | OXT | 26.4° | 147.5° |
| H | N | CA | CB | 180.0° | 151.5° |
| H | N | CA | C | 61.1° | 28.9° |
| H | N | CA | HA | 58.8° | 88.0° |
| H2 | N | CA | CB | 54.7° | 41.9° |
| H2 | N | CA | C | 173.6° | 164.4° |
| H2 | N | CA | HA | 66.4° | 78.7° |
| CB | CA | C | HA | 114.8° | 121.4° |
| CA | CB | C1 | HB2 | 121.4° | 123.2° |
| CA | CB | C1 | HB3 | 122.3° | 121.4° |
| CA | CB | HB2 | HB3 | 117.7° | 120.4° |
| CB | CA | C | O | 87.9° | 88.6° |
| CB | CA | C | OXT | 150.8° | 91.6° |
| CA | CB | C1 | C2 | 80.4° | 86.8° |
| CA | CB | C1 | C6 | 100.9° | 93.2° |
| C | CA | CB | C1 | 170.6° | 60.7° |
| C | CA | CB | HB2 | 68.1° | 61.1° |
| C | CA | CB | HB3 | 48.4° | 179.4° |
| CA | C | O | OXT | 39.8° | 179.7° |
| CA | C | OXT | HXT | 179.9° | 179.8° |
| HA | CA | CB | C1 | 74.4° | 60.0° |
| HA | CA | CB | HB2 | 46.9° | 178.2° |
| HA | CA | CB | HB3 | 163.4° | 59.8° |
| HA | CA | C | O | 157.3° | 150.0° |
| HA | CA | C | OXT | 94.4° | 29.8° |
| C1 | CB | HB2 | HB3 | 117.3° | 115.8° |
| CB | C1 | C2 | C6 | 178.7° | 180.0° |
| CB | C1 | C2 | O2 | 1.5° | 0.1° |
| CB | C1 | C2 | C3 | 179.2° | 179.9° |
| CB | C1 | C6 | C5 | 179.3° | 180.0° |
| CB | C1 | C6 | H6 | 0.6° | 0.0° |
| HB2 | CB | C1 | C2 | 41.0° | 150.0° |
| HB2 | CB | C1 | C6 | 137.7° | 30.0° |
| HB3 | CB | C1 | C2 | 157.3° | 34.6° |
| HB3 | CB | C1 | C6 | 21.4° | 145.4° |
| O | C | OXT | HXT | 54.0° | 0.0° |
| C1 | C2 | O2 | C3 | 179.3° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.2° |
| C1 | C2 | C3 | H3 | 179.3° | 179.9° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C2 | C1 | C6 | H6 | 179.3° | 179.9° |
| C6 | C1 | C2 | O2 | 179.8° | 179.8° |
| C6 | C1 | C2 | C3 | 0.5° | 0.2° |
| C1 | C6 | C5 | C4 | 0.3° | 0.2° |
| C1 | C6 | C5 | O5 | 179.6° | 179.8° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| O2 | C2 | C3 | C4 | 179.3° | 179.8° |
| O2 | C2 | C3 | H3 | 0.0° | 0.2° |
| C2 | C3 | C4 | H3 | 179.3° | 180.0° |
| C2 | C3 | C4 | O4 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C4 | O4 | C5 | 179.9° | 180.0° |
| C3 | C4 | O4 | HO4 | 179.9° | 125.3° |
| C3 | C4 | C5 | O5 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.1° | 0.2° |
| H3 | C3 | C4 | O4 | 0.5° | 0.0° |
| H3 | C3 | C4 | C5 | 179.6° | 180.0° |
| O4 | C4 | C5 | O5 | 0.1° | 0.2° |
| O4 | C4 | C5 | C6 | 180.0° | 179.9° |
| C5 | C4 | O4 | HO4 | 0.2° | 54.7° |
| C4 | C5 | O5 | C6 | 179.9° | 180.0° |
| C4 | C5 | C6 | H6 | 179.6° | 179.9° |
| O5 | C5 | C6 | H6 | 0.5° | 0.1° |
