4HL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OH' | C6' | sing | 1.36Å | 1.37Å | |
| C6' | C5' | doub | 1.39Å | 1.42Å | Aromatic |
| C6' | C1' | sing | 1.39Å | 1.42Å | Aromatic |
| C5' | C4' | sing | 1.38Å | 1.42Å | Aromatic |
| C1' | C2' | doub | 1.38Å | 1.42Å | Aromatic |
| C4' | C3' | doub | 1.38Å | 1.43Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.43Å | Aromatic |
| C3' | C1 | sing | 1.51Å | 1.54Å | |
| OH | CZ | sing | 1.35Å | 1.38Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| C1 | NX1 | sing | 1.47Å | 1.49Å | |
| CZ | CE1 | doub | 1.36Å | 1.40Å | |
| CZ | CE2 | sing | 1.47Å | 1.43Å | |
| CE1 | CD1 | sing | 1.40Å | 1.53Å | |
| NX2 | CE2 | doub | 1.33Å | 1.42Å | |
| NX2 | NX1 | sing | 1.29Å | 1.40Å | |
| CE2 | CD2 | sing | 1.42Å | 1.41Å | |
| CD1 | OX1 | doub | 1.22Å | 1.24Å | |
| CD1 | CG | sing | 1.41Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CD2 | CG | doub | 1.35Å | 1.40Å | |
| CG | CB | sing | 1.51Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| NX1 | H3 | sing | 0.97Å | 1.00Å | |
| C4' | H4' | sing | 1.08Å | 1.08Å | |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C1' | H1' | sing | 1.08Å | 1.08Å | |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| OH' | H5 | sing | 0.97Å | 0.95Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| NX2 | H4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OH' | C6' | C5' | 119.5° | 120.0° |
| OH' | C6' | C1' | 120.1° | 120.0° |
| C6' | OH' | H5 | 109.5° | 114.0° |
| C5' | C6' | C1' | 120.5° | 119.9° |
| C6' | C5' | C4' | 119.9° | 120.0° |
| C6' | C5' | H5' | 120.1° | 120.1° |
| C6' | C1' | C2' | 119.9° | 119.9° |
| C6' | C1' | H1' | 120.1° | 120.0° |
| C5' | C4' | C3' | 120.2° | 120.0° |
| C5' | C4' | H4' | 119.9° | 120.0° |
| C4' | C5' | H5' | 120.0° | 120.0° |
| C1' | C2' | C3' | 120.1° | 120.0° |
| C2' | C1' | H1' | 120.0° | 120.0° |
| C1' | C2' | H2' | 120.0° | 120.0° |
| C4' | C3' | C2' | 119.4° | 120.1° |
| C4' | C3' | C1 | 120.1° | 120.0° |
| C3' | C4' | H4' | 119.9° | 119.9° |
| C2' | C3' | C1 | 120.5° | 119.9° |
| C3' | C2' | H2' | 119.9° | 120.0° |
| C3' | C1 | NX1 | 116.6° | 109.5° |
| C3' | C1 | H11 | 107.7° | 109.4° |
| C3' | C1 | H12 | 107.7° | 109.5° |
| OH | CZ | CE1 | 116.7° | 120.4° |
| OH | CZ | CE2 | 121.4° | 120.4° |
| N | CA | C | 114.8° | 109.5° |
| N | CA | CB | 112.5° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.2° | 109.5° |
| C1 | NX1 | NX2 | 112.6° | 120.0° |
| NX1 | C1 | H11 | 107.7° | 109.5° |
| NX1 | C1 | H12 | 107.7° | 109.5° |
| C1 | NX1 | H3 | 108.7° | 120.0° |
| CE1 | CZ | CE2 | 121.9° | 119.2° |
| CZ | CE1 | CD1 | 119.7° | 120.0° |
| CZ | CE1 | HE1 | 120.2° | 120.0° |
| CZ | CE2 | NX2 | 122.9° | 120.4° |
| CZ | CE2 | CD2 | 121.1° | 119.2° |
| CE1 | CD1 | OX1 | 120.9° | 119.6° |
| CE1 | CD1 | CG | 115.5° | 120.8° |
| CD1 | CE1 | HE1 | 120.1° | 120.0° |
| CE2 | NX2 | NX1 | 131.4° | 120.0° |
| NX2 | CE2 | CD2 | 116.1° | 120.4° |
| CE2 | NX2 | H4 | 114.3° | 120.0° |
| NX2 | NX1 | H3 | 108.7° | 120.0° |
| NX1 | NX2 | H4 | 114.3° | 120.0° |
| CE2 | CD2 | CG | 122.4° | 120.0° |
| CE2 | CD2 | HD2 | 118.8° | 120.0° |
| OX1 | CD1 | CG | 123.7° | 119.6° |
| CD1 | CG | CD2 | 119.4° | 120.8° |
| CD1 | CG | CB | 120.6° | 119.6° |
| C | CA | CB | 106.5° | 109.5° |
| CA | C | O | 121.4° | 120.0° |
| CA | C | OXT | 114.9° | 120.0° |
| C | CA | HA | 107.5° | 109.5° |
| CA | CB | CG | 119.2° | 109.5° |
| CB | CA | HA | 107.0° | 109.4° |
| CA | CB | HB2 | 107.0° | 109.5° |
| CA | CB | HB3 | 107.0° | 109.5° |
| CD2 | CG | CB | 120.0° | 119.6° |
| CG | CD2 | HD2 | 118.8° | 120.0° |
| CG | CB | HB2 | 107.0° | 109.5° |
| CG | CB | HB3 | 107.0° | 109.4° |
| O | C | OXT | 123.7° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OH' | C6' | C5' | C1' | 179.9° | 180.0° |
| OH' | C6' | C5' | C4' | 179.9° | 180.0° |
| OH' | C6' | C1' | C2' | 179.9° | 180.0° |
| OH' | C6' | C5' | H5' | 0.1° | 0.0° |
| OH' | C6' | C1' | H1' | 0.1° | 0.0° |
| C6' | C5' | C4' | H5' | 180.0° | 180.0° |
| C5' | C6' | C1' | C2' | 0.1° | 0.0° |
| C6' | C5' | C4' | C3' | 0.0° | 0.0° |
| C6' | C5' | C4' | H4' | 179.9° | 179.8° |
| C5' | C6' | C1' | H1' | 179.9° | 180.0° |
| C5' | C6' | OH' | H5 | 180.0° | 90.0° |
| C1' | C6' | C5' | C4' | 0.1° | 0.0° |
| C6' | C1' | C2' | H1' | 180.0° | 180.0° |
| C6' | C1' | C2' | C3' | 0.1° | 0.0° |
| C1' | C6' | C5' | H5' | 179.9° | 180.0° |
| C6' | C1' | C2' | H2' | 179.9° | 180.0° |
| C1' | C6' | OH' | H5 | 0.1° | 90.0° |
| C5' | C4' | C3' | H4' | 180.0° | 179.8° |
| C5' | C4' | C3' | C2' | 0.0° | 0.1° |
| C5' | C4' | C3' | C1 | 179.9° | 179.7° |
| C1' | C2' | C3' | C4' | 0.1° | 0.0° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C1 | 179.9° | 179.7° |
| C4' | C3' | C2' | C1 | 180.0° | 179.7° |
| C4' | C3' | C1 | NX1 | 62.8° | 90.0° |
| C4' | C3' | C1 | H11 | 58.2° | 30.0° |
| C4' | C3' | C1 | H12 | 176.2° | 150.0° |
| C3' | C4' | C5' | H5' | 179.9° | 180.0° |
| C4' | C3' | C2' | H2' | 179.9° | 180.0° |
| C2' | C3' | C1 | NX1 | 117.2° | 90.3° |
| C2' | C3' | C1 | H11 | 121.8° | 149.7° |
| C2' | C3' | C1 | H12 | 3.9° | 29.7° |
| C2' | C3' | C4' | H4' | 179.9° | 179.7° |
| C3' | C2' | C1' | H1' | 179.9° | 180.0° |
| C3' | C1 | NX1 | H11 | 121.0° | 119.9° |
| C3' | C1 | NX1 | H12 | 121.0° | 120.0° |
| C3' | C1 | NX1 | NX2 | 86.5° | 180.0° |
| C3' | C1 | H11 | H12 | 116.8° | 120.0° |
| C3' | C1 | NX1 | H3 | 153.0° | 0.1° |
| C1 | C3' | C4' | H4' | 0.1° | 0.1° |
| C1 | C3' | C2' | H2' | 0.1° | 0.3° |
| OH | CZ | CE1 | CE2 | 179.8° | 179.8° |
| OH | CZ | CE1 | CD1 | 180.0° | 180.0° |
| OH | CZ | CE2 | NX2 | 0.3° | 0.1° |
| OH | CZ | CE2 | CD2 | 179.9° | 180.0° |
| OH | CZ | CE1 | HE1 | 0.1° | 0.0° |
| N | CA | C | CB | 125.2° | 120.0° |
| N | CA | C | HA | 120.4° | 120.0° |
| N | CA | CB | HA | 118.6° | 120.0° |
| N | CA | CB | CG | 37.8° | 65.0° |
| N | CA | C | O | 28.8° | 20.1° |
| N | CA | C | OXT | 152.4° | 160.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB2 | 83.6° | 55.0° |
| N | CA | CB | HB3 | 159.1° | 175.0° |
| C1 | NX1 | NX2 | CE2 | 149.7° | 180.0° |
| C1 | NX1 | NX2 | H3 | 120.4° | 179.9° |
| NX1 | C1 | H11 | H12 | 116.8° | 120.0° |
| C1 | NX1 | NX2 | H4 | 30.3° | 0.0° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 180.0° |
| CE1 | CZ | CE2 | NX2 | 179.6° | 179.7° |
| CE1 | CZ | CE2 | CD2 | 0.3° | 0.2° |
| CZ | CE1 | CD1 | OX1 | 179.8° | 180.0° |
| CZ | CE1 | CD1 | CG | 0.2° | 0.0° |
| CE2 | CZ | CE1 | CD1 | 0.1° | 0.2° |
| CZ | CE2 | NX2 | CD2 | 179.9° | 179.9° |
| CZ | CE2 | NX2 | NX1 | 179.6° | 180.0° |
| CZ | CE2 | CD2 | CG | 0.2° | 0.0° |
| CZ | CE2 | CD2 | HD2 | 179.8° | 179.9° |
| CE2 | CZ | CE1 | HE1 | 179.9° | 179.8° |
| CZ | CE2 | NX2 | H4 | 0.4° | 0.0° |
| CE1 | CD1 | OX1 | CG | 180.0° | 180.0° |
| CE1 | CD1 | CG | CD2 | 0.3° | 0.2° |
| CE1 | CD1 | CG | CB | 180.0° | 180.0° |
| CE2 | NX2 | NX1 | H4 | 180.0° | 180.0° |
| NX2 | CE2 | CD2 | CG | 179.7° | 180.0° |
| CE2 | NX2 | NX1 | H3 | 89.9° | 0.0° |
| NX2 | CE2 | CD2 | HD2 | 0.3° | 0.0° |
| NX1 | NX2 | CE2 | CD2 | 0.3° | 0.0° |
| NX2 | NX1 | C1 | H11 | 34.5° | 60.0° |
| NX2 | NX1 | C1 | H12 | 152.5° | 60.0° |
| CE2 | CD2 | CG | CD1 | 0.1° | 0.2° |
| CE2 | CD2 | CG | HD2 | 180.0° | 179.9° |
| CE2 | CD2 | CG | CB | 179.8° | 180.0° |
| CD2 | CE2 | NX2 | H4 | 179.7° | 180.0° |
| OX1 | CD1 | CG | CD2 | 179.7° | 179.8° |
| OX1 | CD1 | CG | CB | 0.0° | 0.0° |
| OX1 | CD1 | CE1 | HE1 | 0.2° | 0.0° |
| CD1 | CG | CB | CA | 78.6° | 85.0° |
| CD1 | CG | CD2 | CB | 179.7° | 179.8° |
| CD1 | CG | CB | HB2 | 160.0° | 154.9° |
| CD1 | CG | CB | HB3 | 42.8° | 35.0° |
| CD1 | CG | CD2 | HD2 | 179.9° | 179.7° |
| CG | CD1 | CE1 | HE1 | 179.8° | 180.0° |
| C | CA | CB | HA | 114.7° | 120.0° |
| C | CA | CB | CG | 164.4° | 175.0° |
| CA | C | O | OXT | 178.7° | 179.9° |
| C | CA | N | H | 180.0° | 63.9° |
| C | CA | N | H2 | 60.0° | 60.1° |
| C | CA | CB | HB2 | 43.0° | 65.0° |
| C | CA | CB | HB3 | 74.2° | 55.0° |
| CA | C | OXT | HXT | 178.8° | 179.9° |
| CA | CB | CG | CD2 | 101.7° | 94.7° |
| CA | CB | CG | HB2 | 121.4° | 120.0° |
| CA | CB | CG | HB3 | 121.4° | 120.0° |
| CB | CA | C | O | 96.4° | 100.0° |
| CB | CA | C | OXT | 82.4° | 80.0° |
| CB | CA | N | H | 58.0° | 176.0° |
| CB | CA | N | H2 | 178.0° | 60.0° |
| CA | CB | HB2 | HB3 | 115.6° | 120.0° |
| CD2 | CG | CB | HB2 | 19.7° | 25.3° |
| CD2 | CG | CB | HB3 | 136.9° | 145.3° |
| CG | CB | CA | HA | 80.9° | 55.0° |
| CG | CB | HB2 | HB3 | 115.6° | 119.9° |
| CB | CG | CD2 | HD2 | 0.2° | 0.0° |
| O | C | CA | HA | 149.2° | 140.1° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 32.0° | 40.0° |
| H11 | C1 | NX1 | H3 | 85.9° | 120.0° |
| H12 | C1 | NX1 | H3 | 32.0° | 119.9° |
| H3 | NX1 | NX2 | H4 | 90.1° | 179.9° |
| H4' | C4' | C5' | H5' | 0.1° | 0.3° |
| H1' | C1' | C2' | H2' | 0.1° | 0.0° |
| H | N | CA | HA | 60.0° | 56.0° |
| H2 | N | CA | HA | 60.0° | 179.9° |
| HA | CA | CB | HB2 | 157.7° | 175.0° |
| HA | CA | CB | HB3 | 40.5° | 65.0° |
