E95
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| C10 | C09 | doub | 1.37Å | 1.38Å | Aromatic |
| C10 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C | CA | sing | 1.51Å | 1.51Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| CA | C11 | sing | 1.53Å | 1.52Å | |
| C09 | C04 | sing | 1.40Å | 1.40Å | Aromatic |
| C08 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.46Å | 1.41Å | Aromatic |
| C04 | C05 | doub | 1.41Å | 1.37Å | Aromatic |
| C11 | C03 | sing | 1.51Å | 1.53Å | |
| C06 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| C03 | C02 | doub | 1.34Å | 1.39Å | Aromatic |
| C05 | N01 | sing | 1.38Å | 1.33Å | Aromatic |
| C02 | N01 | sing | 1.37Å | 1.31Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| N01 | H16 | sing | 0.97Å | 1.00Å | |
| C02 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.8° | 120.0° |
| O | C | OXT | 120.2° | 120.0° |
| N | CA | C | 109.5° | 109.5° |
| N | CA | C11 | 110.7° | 109.5° |
| N | CA | HA | 109.8° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| C09 | C10 | C08 | 119.7° | 120.5° |
| C10 | C09 | C04 | 120.6° | 119.8° |
| C09 | C10 | H1 | 120.1° | 119.8° |
| C10 | C09 | H8 | 119.7° | 120.1° |
| C10 | C08 | C06 | 119.8° | 120.7° |
| C08 | C10 | H1 | 120.1° | 119.7° |
| C10 | C08 | H7 | 120.1° | 119.6° |
| CA | C | OXT | 118.9° | 120.0° |
| C | CA | C11 | 109.2° | 109.5° |
| C | CA | HA | 108.9° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | C11 | C03 | 115.0° | 109.5° |
| CA | C11 | H9 | 108.1° | 109.4° |
| CA | C11 | H10 | 108.1° | 109.4° |
| C11 | CA | HA | 108.8° | 109.5° |
| C09 | C04 | C03 | 135.0° | 134.1° |
| C09 | C04 | C05 | 119.2° | 119.9° |
| C04 | C09 | H8 | 119.7° | 120.1° |
| C08 | C06 | C05 | 120.4° | 119.8° |
| C08 | C06 | C07 | 120.6° | 120.1° |
| C06 | C08 | H7 | 120.1° | 119.7° |
| C03 | C04 | C05 | 105.8° | 106.0° |
| C04 | C03 | C11 | 128.9° | 126.5° |
| C04 | C03 | C02 | 105.8° | 107.0° |
| C04 | C05 | C06 | 120.3° | 119.3° |
| C04 | C05 | N01 | 109.3° | 107.1° |
| C11 | C03 | C02 | 125.3° | 126.5° |
| C03 | C11 | H9 | 108.1° | 109.5° |
| C03 | C11 | H10 | 108.1° | 109.5° |
| C05 | C06 | C07 | 118.9° | 120.1° |
| C06 | C05 | N01 | 130.4° | 133.5° |
| C06 | C07 | H4 | 109.5° | 109.5° |
| C06 | C07 | H5 | 109.4° | 109.5° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| C03 | C02 | N01 | 109.1° | 109.9° |
| C03 | C02 | H3 | 125.4° | 125.1° |
| C05 | N01 | C02 | 110.0° | 109.9° |
| C05 | N01 | H16 | 125.0° | 125.0° |
| C02 | N01 | H16 | 125.0° | 125.1° |
| N01 | C02 | H3 | 125.4° | 125.0° |
| H4 | C07 | H5 | 109.5° | 109.4° |
| H4 | C07 | H6 | 109.4° | 109.4° |
| H5 | C07 | H6 | 109.5° | 109.4° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H2 | N | H | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | N | 85.7° | 20.0° |
| O | C | CA | OXT | 179.9° | 180.0° |
| O | C | CA | C11 | 153.0° | 100.0° |
| O | C | CA | HA | 34.3° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| N | CA | C | C11 | 121.4° | 120.0° |
| N | CA | C | HA | 120.0° | 120.0° |
| N | CA | C | OXT | 94.5° | 160.0° |
| N | CA | C11 | HA | 120.7° | 120.0° |
| N | CA | C11 | C03 | 12.9° | 65.0° |
| N | CA | C11 | H9 | 107.9° | 175.0° |
| N | CA | C11 | H10 | 133.7° | 55.0° |
| CA | N | H2 | H | 120.0° | 124.0° |
| C09 | C10 | C08 | H1 | 180.0° | 179.8° |
| C10 | C09 | C04 | H8 | 180.0° | 180.0° |
| C09 | C10 | C08 | C06 | 0.2° | 0.0° |
| C10 | C09 | C04 | C03 | 179.9° | 180.0° |
| C10 | C09 | C04 | C05 | 0.4° | 0.0° |
| C09 | C10 | C08 | H7 | 179.7° | 179.9° |
| C08 | C10 | C09 | C04 | 0.3° | 0.0° |
| C10 | C08 | C06 | H7 | 180.0° | 180.0° |
| C10 | C08 | C06 | C05 | 0.3° | 0.0° |
| C10 | C08 | C06 | C07 | 179.5° | 179.9° |
| C08 | C10 | C09 | H8 | 179.7° | 180.0° |
| C | CA | C11 | HA | 118.7° | 120.0° |
| C | CA | C11 | C03 | 133.5° | 175.0° |
| C | CA | C11 | H9 | 12.7° | 55.0° |
| C | CA | C11 | H10 | 105.7° | 65.0° |
| C | CA | N | H2 | 180.0° | 64.0° |
| C | CA | N | H | 60.0° | 60.0° |
| CA | C | OXT | HXT | 179.9° | 180.0° |
| OXT | C | CA | C11 | 26.9° | 80.0° |
| OXT | C | CA | HA | 145.6° | 40.0° |
| CA | C11 | C03 | C04 | 38.9° | 85.0° |
| CA | C11 | C03 | H9 | 120.8° | 120.0° |
| CA | C11 | C03 | H10 | 120.8° | 120.0° |
| CA | C11 | C03 | C02 | 142.1° | 95.0° |
| CA | C11 | H9 | H10 | 117.5° | 120.0° |
| C11 | CA | N | H2 | 59.5° | 176.0° |
| C11 | CA | N | H | 179.5° | 60.0° |
| C09 | C04 | C03 | C05 | 179.8° | 180.0° |
| C09 | C04 | C03 | C11 | 0.4° | 0.0° |
| C09 | C04 | C05 | C06 | 0.4° | 0.0° |
| C09 | C04 | C03 | C02 | 179.5° | 180.0° |
| C09 | C04 | C05 | N01 | 179.9° | 180.0° |
| C04 | C09 | C10 | H1 | 179.7° | 179.7° |
| C08 | C06 | C05 | C04 | 0.4° | 0.0° |
| C08 | C06 | C05 | C07 | 179.8° | 179.9° |
| C08 | C06 | C05 | N01 | 180.0° | 180.0° |
| C06 | C08 | C10 | H1 | 179.7° | 179.8° |
| C08 | C06 | C07 | H4 | 89.8° | 90.0° |
| C08 | C06 | C07 | H5 | 150.1° | 29.9° |
| C08 | C06 | C07 | H6 | 30.1° | 150.0° |
| C04 | C03 | C11 | C02 | 179.0° | 180.0° |
| C03 | C04 | C05 | C06 | 179.8° | 180.0° |
| C03 | C04 | C05 | N01 | 0.0° | 0.0° |
| C04 | C03 | C02 | N01 | 0.5° | 0.0° |
| C04 | C03 | C02 | H3 | 179.5° | 180.0° |
| C03 | C04 | C09 | H8 | 0.1° | 0.0° |
| C04 | C03 | C11 | H9 | 159.8° | 155.0° |
| C04 | C03 | C11 | H10 | 81.9° | 34.9° |
| C05 | C04 | C03 | C11 | 179.4° | 180.0° |
| C04 | C05 | C06 | N01 | 179.7° | 180.0° |
| C04 | C05 | C06 | C07 | 179.4° | 180.0° |
| C05 | C04 | C03 | C02 | 0.2° | 0.0° |
| C04 | C05 | N01 | C02 | 0.3° | 0.0° |
| C04 | C05 | N01 | H16 | 179.7° | 180.0° |
| C05 | C04 | C09 | H8 | 179.6° | 180.0° |
| C11 | C03 | C02 | N01 | 179.6° | 180.0° |
| C11 | C03 | C02 | H3 | 0.4° | 0.0° |
| C03 | C11 | H9 | H10 | 117.5° | 120.1° |
| C03 | C11 | CA | HA | 107.8° | 55.0° |
| C06 | C05 | N01 | C02 | 180.0° | 179.9° |
| C06 | C05 | N01 | H16 | 0.0° | 0.1° |
| C05 | C06 | C07 | H4 | 89.9° | 90.1° |
| C05 | C06 | C07 | H5 | 30.1° | 150.0° |
| C05 | C06 | C07 | H6 | 150.1° | 30.0° |
| C05 | C06 | C08 | H7 | 179.7° | 180.0° |
| C07 | C06 | C05 | N01 | 0.3° | 0.1° |
| C06 | C07 | H4 | H5 | 120.0° | 120.0° |
| C06 | C07 | H4 | H6 | 120.0° | 120.1° |
| C06 | C07 | H5 | H6 | 120.0° | 120.1° |
| C07 | C06 | C08 | H7 | 0.5° | 0.1° |
| C03 | C02 | N01 | C05 | 0.5° | 0.0° |
| C03 | C02 | N01 | H3 | 180.0° | 180.0° |
| C03 | C02 | N01 | H16 | 179.5° | 180.0° |
| C02 | C03 | C11 | H9 | 21.3° | 25.0° |
| C02 | C03 | C11 | H10 | 97.1° | 145.1° |
| C05 | N01 | C02 | H16 | 180.0° | 180.0° |
| C05 | N01 | C02 | H3 | 179.5° | 180.0° |
| H1 | C10 | C08 | H7 | 0.3° | 0.3° |
| H1 | C10 | C09 | H8 | 0.3° | 0.2° |
| H16 | N01 | C02 | H3 | 0.5° | 0.0° |
| H4 | C07 | H5 | H6 | 120.0° | 119.9° |
| H9 | C11 | CA | HA | 131.4° | 65.0° |
| H10 | C11 | CA | HA | 13.0° | 175.0° |
| HA | CA | N | H2 | 60.6° | 56.0° |
| HA | CA | N | H | 59.4° | 180.0° |
