5NL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.52Å | 1.47Å | |
| C | N11 | sing | 1.35Å | 1.43Å | |
| C | O3 | doub | 1.21Å | 1.22Å | |
| CA | N10 | sing | 1.47Å | 1.43Å | |
| CA | C4 | sing | 1.53Å | 1.53Å | |
| CG | CD1 | sing | 1.39Å | 1.39Å | Aromatic |
| CG | CD2 | doub | 1.36Å | 1.40Å | Aromatic |
| CG | C4 | sing | 1.51Å | 1.52Å | |
| CD1 | CE1 | doub | 1.36Å | 1.40Å | Aromatic |
| CE1 | CZ | sing | 1.40Å | 1.39Å | Aromatic |
| CZ | CE2 | doub | 1.42Å | 1.38Å | Aromatic |
| CZ | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| CE2 | CD2 | sing | 1.41Å | 1.40Å | Aromatic |
| CE2 | C1 | sing | 1.41Å | 1.39Å | Aromatic |
| N10 | C2 | sing | 1.35Å | 1.45Å | |
| C2 | N11 | sing | 1.34Å | 1.46Å | |
| C2 | O2 | doub | 1.21Å | 1.22Å | |
| C1 | C3 | doub | 1.36Å | 1.39Å | Aromatic |
| C3 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.39Å | Aromatic |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | HB | sing | 1.08Å | 1.08Å | |
| C5 | HC | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | N11 | 108.0° | 105.7° |
| CA | C | O3 | 126.0° | 127.1° |
| C | CA | N10 | 107.9° | 103.6° |
| C | CA | C4 | 109.7° | 110.6° |
| C | CA | HA | 109.3° | 110.6° |
| N11 | C | O3 | 126.0° | 127.2° |
| C | N11 | C2 | 108.1° | 111.7° |
| C | N11 | H11 | 125.9° | 124.2° |
| N10 | CA | C4 | 111.6° | 110.6° |
| CA | N10 | C2 | 108.0° | 106.6° |
| N10 | CA | HA | 109.8° | 110.6° |
| CA | N10 | H10 | 126.0° | 126.7° |
| CA | C4 | CG | 109.6° | 109.5° |
| C4 | CA | HA | 108.5° | 110.6° |
| CA | C4 | H41C | 109.5° | 109.4° |
| CA | C4 | H42C | 109.4° | 109.5° |
| CD1 | CG | CD2 | 118.9° | 121.0° |
| CD1 | CG | C4 | 120.5° | 119.5° |
| CG | CD1 | CE1 | 120.3° | 120.9° |
| CG | CD1 | HD1 | 119.9° | 119.5° |
| CD2 | CG | C4 | 120.5° | 119.5° |
| CG | CD2 | CE2 | 120.7° | 119.6° |
| CG | CD2 | HD2 | 119.6° | 120.2° |
| CG | C4 | H41C | 109.5° | 109.5° |
| CG | C4 | H42C | 109.5° | 109.5° |
| CD1 | CE1 | CZ | 120.3° | 119.7° |
| CE1 | CD1 | HD1 | 119.9° | 119.5° |
| CD1 | CE1 | HE1 | 119.8° | 120.1° |
| CE1 | CZ | CE2 | 119.8° | 119.4° |
| CE1 | CZ | C6 | 120.1° | 121.3° |
| CZ | CE1 | HE1 | 119.9° | 120.2° |
| CE2 | CZ | C6 | 120.1° | 119.3° |
| CZ | CE2 | CD2 | 120.0° | 119.3° |
| CZ | CE2 | C1 | 119.9° | 119.4° |
| CZ | C6 | C5 | 119.8° | 119.7° |
| CZ | C6 | H6 | 120.1° | 120.1° |
| CD2 | CE2 | C1 | 120.1° | 121.2° |
| CE2 | CD2 | HD2 | 119.6° | 120.2° |
| CE2 | C1 | C3 | 120.0° | 119.6° |
| CE2 | C1 | H1 | 120.0° | 120.2° |
| N10 | C2 | N11 | 107.9° | 112.4° |
| N10 | C2 | O2 | 126.1° | 123.8° |
| C2 | N10 | H10 | 126.0° | 126.6° |
| N11 | C2 | O2 | 126.0° | 123.8° |
| C2 | N11 | H11 | 126.0° | 124.1° |
| C1 | C3 | C5 | 120.0° | 121.0° |
| C3 | C1 | H1 | 120.0° | 120.2° |
| C1 | C3 | HB | 120.0° | 119.5° |
| C3 | C5 | C6 | 120.0° | 121.0° |
| C5 | C3 | HB | 120.0° | 119.6° |
| C3 | C5 | HC | 120.0° | 119.5° |
| C5 | C6 | H6 | 120.1° | 120.2° |
| C6 | C5 | HC | 120.0° | 119.5° |
| H41C | C4 | H42C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | N11 | O3 | 179.9° | 179.7° |
| C | CA | N10 | C4 | 120.6° | 118.5° |
| C | CA | N10 | HA | 119.0° | 118.5° |
| C | CA | C4 | HA | 119.3° | 122.9° |
| C | CA | C4 | CG | 166.6° | 175.0° |
| C | CA | N10 | C2 | 0.0° | 0.0° |
| CA | C | N11 | C2 | 0.0° | 0.0° |
| CA | C | N11 | H11 | 180.0° | 179.9° |
| C | CA | N10 | H10 | 179.9° | 180.0° |
| C | CA | C4 | H41C | 73.4° | 65.0° |
| C | CA | C4 | H42C | 46.6° | 55.0° |
| N11 | C | CA | N10 | 0.0° | 0.0° |
| N11 | C | CA | C4 | 121.8° | 118.6° |
| C | N11 | C2 | N10 | 0.0° | 0.0° |
| C | N11 | C2 | H11 | 180.0° | 180.0° |
| C | N11 | C2 | O2 | 179.9° | 180.0° |
| N11 | C | CA | HA | 119.4° | 118.5° |
| O3 | C | CA | N10 | 179.9° | 179.7° |
| O3 | C | CA | C4 | 58.1° | 61.7° |
| O3 | C | N11 | C2 | 179.9° | 179.7° |
| O3 | C | CA | HA | 60.8° | 61.2° |
| O3 | C | N11 | H11 | 0.1° | 0.3° |
| N10 | CA | C4 | HA | 121.1° | 122.9° |
| N10 | CA | C4 | CG | 73.8° | 70.8° |
| CA | N10 | C2 | H10 | 180.0° | 180.0° |
| CA | N10 | C2 | N11 | 0.0° | 0.0° |
| CA | N10 | C2 | O2 | 180.0° | 180.0° |
| N10 | CA | C4 | H41C | 46.2° | 49.2° |
| N10 | CA | C4 | H42C | 166.1° | 169.2° |
| CA | C4 | CG | CD1 | 58.1° | 90.0° |
| CA | C4 | CG | CD2 | 121.8° | 90.3° |
| CA | C4 | CG | H41C | 120.0° | 120.0° |
| CA | C4 | CG | H42C | 120.0° | 120.0° |
| C4 | CA | N10 | C2 | 120.6° | 118.5° |
| C4 | CA | N10 | H10 | 59.5° | 61.4° |
| CA | C4 | H41C | H42C | 119.9° | 120.0° |
| CD1 | CG | CD2 | C4 | 179.9° | 179.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.1° | 0.0° |
| CD1 | CG | CD2 | CE2 | 0.0° | 0.0° |
| CD1 | CG | C4 | H41C | 178.2° | 30.0° |
| CD1 | CG | C4 | H42C | 61.9° | 150.0° |
| CD1 | CG | CD2 | HD2 | 180.0° | 180.0° |
| CG | CD1 | CE1 | HE1 | 179.9° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.1° | 0.0° |
| CG | CD2 | CE2 | CZ | 0.0° | 0.0° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | C1 | 180.0° | 180.0° |
| CD2 | CG | C4 | H41C | 1.7° | 149.7° |
| CD2 | CG | C4 | H42C | 118.2° | 29.7° |
| CD2 | CG | CD1 | HD1 | 179.9° | 180.0° |
| C4 | CG | CD1 | CE1 | 180.0° | 179.7° |
| C4 | CG | CD2 | CE2 | 179.9° | 179.7° |
| CG | C4 | CA | HA | 47.3° | 52.1° |
| CG | C4 | H41C | H42C | 120.0° | 120.0° |
| C4 | CG | CD1 | HD1 | 0.0° | 0.2° |
| C4 | CG | CD2 | HD2 | 0.1° | 0.3° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.0° |
| CD1 | CE1 | CZ | C6 | 179.9° | 179.9° |
| CE1 | CZ | CE2 | C6 | 179.9° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 0.0° | 0.0° |
| CE1 | CZ | CE2 | C1 | 180.0° | 180.0° |
| CE1 | CZ | C6 | C5 | 180.0° | 179.9° |
| CZ | CE1 | CD1 | HD1 | 179.9° | 180.0° |
| CE1 | CZ | C6 | H6 | 0.0° | 0.0° |
| CZ | CE2 | CD2 | C1 | 180.0° | 180.0° |
| CZ | CE2 | C1 | C3 | 0.1° | 0.0° |
| CE2 | CZ | C6 | C5 | 0.1° | 0.1° |
| CZ | CE2 | CD2 | HD2 | 180.0° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 179.9° | 180.0° |
| CE2 | CZ | C6 | H6 | 179.9° | 180.0° |
| CZ | CE2 | C1 | H1 | 179.9° | 179.9° |
| C6 | CZ | CE2 | CD2 | 179.9° | 180.0° |
| C6 | CZ | CE2 | C1 | 0.1° | 0.0° |
| CZ | C6 | C5 | C3 | 0.1° | 0.1° |
| CZ | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | CZ | CE1 | HE1 | 0.1° | 0.0° |
| CZ | C6 | C5 | HC | 179.9° | 180.0° |
| CD2 | CE2 | C1 | C3 | 179.9° | 180.0° |
| CD2 | CE2 | C1 | H1 | 0.1° | 0.1° |
| CE2 | C1 | C3 | H1 | 180.0° | 179.9° |
| CE2 | C1 | C3 | C5 | 0.1° | 0.0° |
| C1 | CE2 | CD2 | HD2 | 0.0° | 0.0° |
| CE2 | C1 | C3 | HB | 179.9° | 180.0° |
| N10 | C2 | N11 | O2 | 179.9° | 180.0° |
| C2 | N10 | CA | HA | 119.0° | 118.5° |
| N10 | C2 | N11 | H11 | 180.0° | 179.9° |
| N11 | C2 | N10 | H10 | 179.9° | 180.0° |
| O2 | C2 | N11 | H11 | 0.1° | 0.0° |
| O2 | C2 | N10 | H10 | 0.0° | 0.0° |
| C1 | C3 | C5 | HB | 180.0° | 180.0° |
| C1 | C3 | C5 | C6 | 0.1° | 0.1° |
| C1 | C3 | C5 | HC | 179.9° | 180.0° |
| C3 | C5 | C6 | HC | 180.0° | 179.9° |
| C3 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C3 | C1 | H1 | 179.9° | 179.9° |
| C6 | C5 | C3 | HB | 179.9° | 179.9° |
| HA | CA | N10 | H10 | 60.9° | 61.5° |
| HA | CA | C4 | H41C | 167.3° | 172.1° |
| HA | CA | C4 | H42C | 72.8° | 67.9° |
| HD1 | CD1 | CE1 | HE1 | 0.1° | 0.1° |
| H6 | C6 | C5 | HC | 0.2° | 0.1° |
| H1 | C1 | C3 | HB | 0.1° | 0.1° |
| HB | C3 | C5 | HC | 0.1° | 0.0° |
