T7Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.22Å | 1.23Å | |
| O | C | doub | 1.21Å | 1.29Å | |
| C04 | C05 | doub | 1.37Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.48Å | 1.52Å | |
| C02 | C11 | sing | 1.47Å | 1.49Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| C03 | C08 | doub | 1.41Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.38Å | Aromatic |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CB | C13 | sing | 1.51Å | 1.53Å | |
| C08 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C08 | N09 | sing | 1.38Å | 1.50Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | N09 | sing | 1.38Å | 1.49Å | |
| C10 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | HN3 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 122.0° | 121.5° |
| O01 | C02 | C11 | 117.9° | 121.6° |
| O | C | OXT | 119.2° | 120.1° |
| O | C | CA | 118.5° | 119.9° |
| C05 | C04 | C03 | 121.0° | 119.7° |
| C04 | C05 | C06 | 119.8° | 120.5° |
| C05 | C04 | H041 | 119.5° | 120.1° |
| C04 | C05 | H051 | 120.1° | 119.8° |
| C04 | C03 | C02 | 121.2° | 121.0° |
| C04 | C03 | C08 | 119.3° | 120.2° |
| C03 | C04 | H041 | 119.5° | 120.2° |
| C05 | C06 | C07 | 119.8° | 120.7° |
| C06 | C05 | H051 | 120.1° | 119.7° |
| C05 | C06 | H061 | 120.1° | 119.7° |
| C03 | C02 | C11 | 119.4° | 116.9° |
| C02 | C03 | C08 | 119.5° | 118.7° |
| C02 | C11 | C12 | 119.2° | 121.0° |
| C02 | C11 | C10 | 121.4° | 118.8° |
| OXT | C | CA | 122.2° | 120.0° |
| C | OXT | HXT | 109.5° | 116.9° |
| C | CA | CB | 110.3° | 109.5° |
| C | CA | N | 110.0° | 109.5° |
| C | CA | HA | 108.2° | 109.4° |
| C03 | C08 | C07 | 120.0° | 119.1° |
| C03 | C08 | N09 | 119.8° | 120.5° |
| C11 | C12 | C13 | 119.2° | 119.6° |
| C12 | C11 | C10 | 119.4° | 120.2° |
| C11 | C12 | H121 | 120.4° | 120.1° |
| C12 | C13 | CB | 114.6° | 119.8° |
| C12 | C13 | C14 | 122.2° | 120.3° |
| C13 | C12 | H121 | 120.4° | 120.2° |
| C06 | C07 | C08 | 120.1° | 119.9° |
| C07 | C06 | H061 | 120.1° | 119.6° |
| C06 | C07 | H071 | 120.0° | 120.1° |
| C11 | C10 | N09 | 119.0° | 120.4° |
| C11 | C10 | C15 | 121.2° | 119.2° |
| CB | CA | N | 111.6° | 109.5° |
| CA | CB | C13 | 115.6° | 109.5° |
| CA | CB | HB3 | 107.9° | 109.5° |
| CA | CB | HB2 | 107.9° | 109.5° |
| CB | CA | HA | 107.7° | 109.5° |
| N | CA | HA | 108.9° | 109.5° |
| CA | N | H | 109.5° | 109.5° |
| CA | N | HN2 | 109.5° | 109.5° |
| CA | N | HN3 | 109.5° | 109.5° |
| CB | C13 | C14 | 123.3° | 119.9° |
| C13 | CB | HB3 | 107.9° | 109.4° |
| C13 | CB | HB2 | 107.9° | 109.4° |
| C07 | C08 | N09 | 120.2° | 120.4° |
| C08 | C07 | H071 | 119.9° | 120.1° |
| C08 | N09 | C10 | 121.0° | 121.7° |
| C08 | N09 | H091 | 119.5° | 119.1° |
| C13 | C14 | C15 | 118.7° | 120.7° |
| C13 | C14 | H141 | 120.6° | 119.6° |
| N09 | C10 | C15 | 119.8° | 120.4° |
| C10 | N09 | H091 | 119.5° | 119.2° |
| C10 | C15 | C14 | 119.3° | 120.0° |
| C10 | C15 | H151 | 120.3° | 120.0° |
| C15 | C14 | H141 | 120.6° | 119.7° |
| C14 | C15 | H151 | 120.3° | 120.0° |
| HB3 | CB | HB2 | 109.5° | 109.5° |
| H | N | HN2 | 109.4° | 109.5° |
| H | N | HN3 | 109.5° | 109.5° |
| HN2 | N | HN3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C04 | 8.5° | 12.7° |
| O01 | C02 | C03 | C11 | 170.8° | 180.0° |
| O01 | C02 | C03 | C08 | 171.1° | 167.4° |
| O01 | C02 | C11 | C12 | 8.6° | 12.8° |
| O01 | C02 | C11 | C10 | 171.6° | 167.4° |
| O | C | OXT | CA | 177.9° | 180.0° |
| O | C | CA | CB | 115.8° | 100.0° |
| O | C | CA | N | 120.6° | 20.0° |
| O | C | CA | HA | 1.8° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C05 | C04 | C03 | H041 | 180.0° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 179.4° | 179.8° |
| C05 | C04 | C03 | C08 | 1.0° | 0.1° |
| C04 | C05 | C06 | C07 | 0.3° | 0.1° |
| C04 | C05 | C06 | H061 | 179.7° | 179.9° |
| C03 | C04 | C05 | C06 | 0.7° | 0.1° |
| C04 | C03 | C02 | C08 | 179.6° | 179.9° |
| C04 | C03 | C02 | C11 | 179.3° | 167.3° |
| C04 | C03 | C08 | C07 | 0.8° | 0.2° |
| C04 | C03 | C08 | N09 | 179.9° | 179.6° |
| C03 | C04 | C05 | H051 | 179.2° | 180.0° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.2° | 0.0° |
| C06 | C05 | C04 | H041 | 179.3° | 180.0° |
| C05 | C06 | C07 | H071 | 179.8° | 180.0° |
| C03 | C02 | C11 | C12 | 179.8° | 167.1° |
| C03 | C02 | C11 | C10 | 0.4° | 12.6° |
| C02 | C03 | C08 | C07 | 179.6° | 179.7° |
| C02 | C03 | C08 | N09 | 0.3° | 0.5° |
| C02 | C03 | C04 | H041 | 0.5° | 0.3° |
| C11 | C02 | C03 | C08 | 0.3° | 12.6° |
| C02 | C11 | C12 | C10 | 179.8° | 179.7° |
| C02 | C11 | C12 | C13 | 179.2° | 179.5° |
| C02 | C11 | C10 | N09 | 0.1° | 0.6° |
| C02 | C11 | C10 | C15 | 179.9° | 179.7° |
| C02 | C11 | C12 | H121 | 0.8° | 0.5° |
| OXT | C | CA | CB | 66.3° | 79.9° |
| OXT | C | CA | N | 57.3° | 160.0° |
| OXT | C | CA | HA | 176.1° | 40.0° |
| C | CA | CB | N | 122.6° | 120.0° |
| C | CA | CB | HA | 117.8° | 119.9° |
| C | CA | N | HA | 118.4° | 120.0° |
| C | CA | CB | C13 | 66.7° | 175.0° |
| C | CA | CB | HB3 | 54.1° | 55.0° |
| C | CA | CB | HB2 | 172.4° | 65.1° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | HN2 | 60.0° | 60.0° |
| CA | C | OXT | HXT | 177.9° | 180.0° |
| C | CA | N | HN3 | 60.0° | 180.0° |
| C03 | C08 | C07 | C06 | 0.4° | 0.1° |
| C03 | C08 | C07 | N09 | 179.3° | 179.8° |
| C03 | C08 | N09 | C10 | 0.8° | 14.7° |
| C08 | C03 | C04 | H041 | 179.0° | 179.9° |
| C03 | C08 | C07 | H071 | 179.6° | 179.8° |
| C03 | C08 | N09 | H091 | 179.2° | 165.0° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | CB | 178.9° | 179.9° |
| C11 | C12 | C13 | C14 | 1.2° | 0.0° |
| C12 | C11 | C10 | N09 | 179.7° | 179.7° |
| C12 | C11 | C10 | C15 | 0.3° | 0.0° |
| C13 | C12 | C11 | C10 | 0.6° | 0.2° |
| C12 | C13 | CB | CA | 94.8° | 90.0° |
| C12 | C13 | CB | C14 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 1.0° | 0.4° |
| C12 | C13 | C14 | H141 | 179.0° | 179.9° |
| C12 | C13 | CB | HB3 | 26.1° | 150.0° |
| C12 | C13 | CB | HB2 | 144.4° | 30.0° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | N09 | 179.7° | 179.7° |
| C07 | C06 | C05 | H051 | 179.7° | 179.9° |
| C11 | C10 | N09 | C08 | 0.7° | 14.8° |
| C11 | C10 | N09 | C15 | 179.9° | 179.6° |
| C11 | C10 | C15 | C14 | 0.6° | 0.4° |
| C10 | C11 | C12 | H121 | 179.4° | 179.8° |
| C11 | C10 | C15 | H151 | 179.4° | 179.9° |
| C11 | C10 | N09 | H091 | 179.3° | 165.0° |
| CB | CA | N | HA | 118.8° | 120.0° |
| CA | CB | C13 | HB3 | 120.9° | 120.0° |
| CA | CB | C13 | HB2 | 120.9° | 120.0° |
| CA | CB | C13 | C14 | 85.4° | 90.0° |
| CA | CB | HB3 | HB2 | 117.2° | 120.1° |
| CB | CA | N | H | 57.2° | 180.0° |
| CB | CA | N | HN2 | 177.2° | 60.0° |
| CB | CA | N | HN3 | 62.8° | 60.0° |
| N | CA | CB | C13 | 55.9° | 65.0° |
| N | CA | CB | HB3 | 176.8° | 175.0° |
| N | CA | CB | HB2 | 65.0° | 55.0° |
| CA | N | H | HN2 | 120.0° | 120.1° |
| CA | N | H | HN3 | 120.0° | 120.1° |
| CA | N | HN2 | HN3 | 120.0° | 120.0° |
| CB | C13 | C14 | C15 | 179.2° | 179.6° |
| CB | C13 | C12 | H121 | 1.1° | 0.1° |
| CB | C13 | C14 | H141 | 0.9° | 0.0° |
| C13 | CB | HB3 | HB2 | 117.2° | 119.9° |
| C13 | CB | CA | HA | 175.4° | 55.0° |
| C07 | C08 | N09 | C10 | 179.9° | 165.5° |
| C08 | C07 | C06 | H061 | 179.9° | 180.0° |
| C07 | C08 | N09 | H091 | 0.1° | 14.8° |
| C08 | N09 | C10 | H091 | 180.0° | 179.7° |
| C08 | N09 | C10 | C15 | 179.3° | 165.6° |
| N09 | C08 | C07 | H071 | 0.3° | 0.4° |
| C13 | C14 | C15 | C10 | 0.0° | 0.6° |
| C13 | C14 | C15 | H141 | 180.0° | 179.7° |
| C14 | C13 | C12 | H121 | 178.8° | 180.0° |
| C13 | C14 | C15 | H151 | 180.0° | 179.7° |
| C14 | C13 | CB | HB3 | 153.8° | 30.1° |
| C14 | C13 | CB | HB2 | 35.5° | 150.0° |
| N09 | C10 | C15 | C14 | 179.5° | 179.9° |
| N09 | C10 | C15 | H151 | 0.5° | 0.3° |
| C10 | C15 | C14 | H151 | 180.0° | 179.7° |
| C10 | C15 | C14 | H141 | 179.9° | 179.7° |
| C15 | C10 | N09 | H091 | 0.7° | 14.7° |
| H141 | C14 | C15 | H151 | 0.1° | 0.1° |
| HB3 | CB | CA | HA | 63.7° | 64.9° |
| HB2 | CB | CA | HA | 54.5° | 175.0° |
| HA | CA | N | H | 61.6° | 60.0° |
| HA | CA | N | HN2 | 58.4° | 180.0° |
| HA | CA | N | HN3 | 178.4° | 60.0° |
| H041 | C04 | C05 | H051 | 0.8° | 0.0° |
| H051 | C05 | C06 | H061 | 0.3° | 0.1° |
| H061 | C06 | C07 | H071 | 0.2° | 0.1° |
| H | N | HN2 | HN3 | 120.0° | 119.9° |
