AR2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.47Å | 1.46Å | |
| CD | HD1 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| NE | CZ | sing | 1.37Å | 1.33Å | |
| NE | HE | sing | 0.97Å | 1.00Å | |
| CZ | NH1 | doub | 1.30Å | 1.33Å | |
| CZ | NH2 | sing | 1.37Å | 1.32Å | |
| NH1 | HH11 | sing | 0.97Å | 1.00Å | |
| NH2 | HH21 | sing | 0.97Å | 1.00Å | |
| NH2 | HH22 | sing | 0.97Å | 1.00Å | |
| N5 | C5 | doub | 1.29Å | 1.37Å | Aromatic |
| N5 | C61 | sing | 1.33Å | 1.36Å | Aromatic |
| S5 | C5 | sing | 1.76Å | 1.70Å | Aromatic |
| S5 | C62 | sing | 1.76Å | 1.75Å | Aromatic |
| C5 | C | sing | 1.47Å | 1.52Å | |
| C61 | C62 | doub | 1.41Å | 1.43Å | Aromatic |
| C61 | C66 | sing | 1.42Å | 1.39Å | Aromatic |
| C62 | C63 | sing | 1.39Å | 1.39Å | Aromatic |
| C63 | C64 | doub | 1.39Å | 1.39Å | Aromatic |
| C63 | H63 | sing | 1.08Å | 1.08Å | |
| C64 | C65 | sing | 1.40Å | 1.40Å | Aromatic |
| C64 | C1 | sing | 1.48Å | 1.38Å | |
| C65 | C66 | doub | 1.35Å | 1.40Å | Aromatic |
| C65 | H65 | sing | 1.08Å | 1.08Å | |
| C66 | H66 | sing | 1.08Å | 1.08Å | |
| C1 | O1 | doub | 1.22Å | 1.25Å | |
| C1 | O2 | sing | 1.35Å | 1.25Å | |
| O2 | HO21 | sing | 0.97Å | 0.95Å | |
| O | C | doub | 1.21Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | HN2 | 109.5° | 111.0° |
| N | CA | CB | 110.0° | 109.5° |
| N | CA | C | 111.3° | 109.5° |
| N | CA | HA | 108.0° | 109.4° |
| H | N | HN2 | 109.4° | 111.0° |
| CB | CA | C | 110.0° | 109.5° |
| CB | CA | HA | 109.4° | 109.5° |
| CA | CB | CG | 111.9° | 109.5° |
| CA | CB | HB1 | 108.7° | 109.5° |
| CA | CB | HB2 | 108.7° | 109.5° |
| C | CA | HA | 108.0° | 109.5° |
| CA | C | C5 | 110.9° | 120.0° |
| CA | C | O | 109.6° | 120.0° |
| CG | CB | HB1 | 108.7° | 109.5° |
| CG | CB | HB2 | 108.7° | 109.4° |
| CB | CG | CD | 113.0° | 109.5° |
| CB | CG | HG1 | 108.3° | 109.5° |
| CB | CG | HG2 | 108.3° | 109.5° |
| HB1 | CB | HB2 | 110.3° | 109.5° |
| CD | CG | HG1 | 108.3° | 109.5° |
| CD | CG | HG2 | 108.3° | 109.5° |
| CG | CD | NE | 110.2° | 109.5° |
| CG | CD | HD1 | 109.2° | 109.5° |
| CG | CD | HD2 | 109.2° | 109.4° |
| HG1 | CG | HG2 | 110.6° | 109.4° |
| NE | CD | HD1 | 109.2° | 109.5° |
| NE | CD | HD2 | 109.2° | 109.5° |
| CD | NE | CZ | 124.7° | 119.9° |
| CD | NE | HE | 117.6° | 120.0° |
| HD1 | CD | HD2 | 109.7° | 109.5° |
| CZ | NE | HE | 117.6° | 120.1° |
| NE | CZ | NH1 | 120.4° | 120.1° |
| NE | CZ | NH2 | 119.6° | 119.9° |
| NH1 | CZ | NH2 | 120.0° | 120.0° |
| CZ | NH1 | HH11 | 112.0° | 120.0° |
| CZ | NH2 | HH21 | 120.0° | 120.1° |
| CZ | NH2 | HH22 | 120.0° | 120.0° |
| HH21 | NH2 | HH22 | 120.0° | 119.9° |
| C5 | N5 | C61 | 113.9° | 118.3° |
| N5 | C5 | S5 | 112.8° | 110.3° |
| N5 | C5 | C | 123.7° | 124.9° |
| N5 | C61 | C62 | 113.0° | 112.9° |
| N5 | C61 | C66 | 128.6° | 128.6° |
| C5 | S5 | C62 | 91.6° | 90.2° |
| S5 | C5 | C | 123.5° | 124.8° |
| S5 | C62 | C61 | 108.8° | 108.3° |
| S5 | C62 | C63 | 130.8° | 131.3° |
| C5 | C | O | 103.9° | 120.1° |
| C62 | C61 | C66 | 118.4° | 118.4° |
| C61 | C62 | C63 | 120.4° | 120.4° |
| C61 | C66 | C65 | 120.8° | 120.7° |
| C61 | C66 | H66 | 119.6° | 119.7° |
| C62 | C63 | C64 | 120.0° | 119.9° |
| C62 | C63 | H63 | 119.9° | 120.0° |
| C64 | C63 | H63 | 120.0° | 120.1° |
| C63 | C64 | C65 | 120.7° | 119.7° |
| C63 | C64 | C1 | 119.5° | 120.1° |
| C65 | C64 | C1 | 119.7° | 120.1° |
| C64 | C65 | C66 | 119.7° | 120.8° |
| C64 | C65 | H65 | 120.1° | 119.6° |
| C64 | C1 | O1 | 118.9° | 120.0° |
| C64 | C1 | O2 | 118.9° | 120.0° |
| C66 | C65 | H65 | 120.2° | 119.6° |
| C65 | C66 | H66 | 119.6° | 119.6° |
| O1 | C1 | O2 | 122.1° | 120.0° |
| C1 | O2 | HO21 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | HN2 | 120.0° | 124.0° |
| N | CA | CB | C | 123.0° | 120.0° |
| N | CA | CB | HA | 118.5° | 120.0° |
| N | CA | C | HA | 118.4° | 120.0° |
| N | CA | CB | CG | 78.0° | 65.0° |
| N | CA | CB | HB1 | 42.0° | 54.9° |
| N | CA | CB | HB2 | 162.0° | 175.0° |
| N | CA | C | C5 | 67.2° | 165.0° |
| N | CA | C | O | 178.7° | 15.0° |
| H | N | CA | CB | 180.0° | 60.0° |
| H | N | CA | C | 57.8° | 60.0° |
| H | N | CA | HA | 60.6° | 180.0° |
| HN2 | N | CA | CB | 60.0° | 64.0° |
| HN2 | N | CA | C | 62.2° | 176.0° |
| HN2 | N | CA | HA | 179.4° | 56.1° |
| CB | CA | C | HA | 119.4° | 120.0° |
| CA | CB | CG | HB1 | 120.0° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB2 | 119.0° | 120.1° |
| CA | CB | CG | CD | 164.5° | 180.0° |
| CA | CB | CG | HG1 | 75.5° | 59.9° |
| CA | CB | CG | HG2 | 44.5° | 60.0° |
| CB | CA | C | C5 | 170.7° | 75.0° |
| CB | CA | C | O | 56.6° | 105.0° |
| C | CA | CB | CG | 159.0° | 175.0° |
| C | CA | CB | HB1 | 81.0° | 65.0° |
| C | CA | CB | HB2 | 39.0° | 55.0° |
| CA | C | C5 | N5 | 105.3° | 0.0° |
| CA | C | C5 | S5 | 73.8° | 180.0° |
| CA | C | C5 | O | 117.7° | 180.0° |
| HA | CA | CB | CG | 40.5° | 55.0° |
| HA | CA | CB | HB1 | 160.5° | 174.9° |
| HA | CA | CB | HB2 | 79.5° | 65.0° |
| HA | CA | C | C5 | 51.3° | 45.0° |
| HA | CA | C | O | 62.8° | 135.0° |
| CG | CB | HB1 | HB2 | 119.0° | 119.9° |
| CB | CG | CD | HG1 | 120.0° | 120.1° |
| CB | CG | CD | HG2 | 120.0° | 120.0° |
| CB | CG | HG1 | HG2 | 118.6° | 119.9° |
| CB | CG | CD | NE | 167.2° | 180.0° |
| CB | CG | CD | HD1 | 72.8° | 59.9° |
| CB | CG | CD | HD2 | 47.2° | 60.0° |
| HB1 | CB | CG | CD | 44.5° | 60.0° |
| HB1 | CB | CG | HG1 | 164.5° | 179.9° |
| HB1 | CB | CG | HG2 | 75.5° | 60.0° |
| HB2 | CB | CG | CD | 75.5° | 60.0° |
| HB2 | CB | CG | HG1 | 44.5° | 60.1° |
| HB2 | CB | CG | HG2 | 164.5° | 180.0° |
| CD | CG | HG1 | HG2 | 118.5° | 120.0° |
| CG | CD | NE | HD1 | 120.0° | 120.0° |
| CG | CD | NE | HD2 | 120.0° | 120.0° |
| CG | CD | HD1 | HD2 | 119.7° | 120.0° |
| CG | CD | NE | CZ | 167.0° | 180.0° |
| CG | CD | NE | HE | 13.0° | 0.0° |
| HG1 | CG | CD | NE | 47.2° | 59.9° |
| HG1 | CG | CD | HD1 | 167.2° | 180.0° |
| HG1 | CG | CD | HD2 | 72.8° | 60.1° |
| HG2 | CG | CD | NE | 72.8° | 60.0° |
| HG2 | CG | CD | HD1 | 47.2° | 60.1° |
| HG2 | CG | CD | HD2 | 167.2° | 180.0° |
| NE | CD | HD1 | HD2 | 119.7° | 120.0° |
| CD | NE | CZ | HE | 180.0° | 180.0° |
| CD | NE | CZ | NH1 | 0.1° | 0.0° |
| CD | NE | CZ | NH2 | 179.4° | 180.0° |
| HD1 | CD | NE | CZ | 73.0° | 60.0° |
| HD1 | CD | NE | HE | 107.0° | 120.0° |
| HD2 | CD | NE | CZ | 47.0° | 60.0° |
| HD2 | CD | NE | HE | 133.0° | 120.0° |
| NE | CZ | NH1 | NH2 | 179.5° | 180.0° |
| NE | CZ | NH1 | HH11 | 179.5° | 180.0° |
| NE | CZ | NH2 | HH21 | 179.5° | 0.0° |
| NE | CZ | NH2 | HH22 | 0.5° | 180.0° |
| HE | NE | CZ | NH1 | 179.9° | 180.0° |
| HE | NE | CZ | NH2 | 0.6° | 0.0° |
| NH1 | CZ | NH2 | HH21 | 0.0° | 180.0° |
| NH1 | CZ | NH2 | HH22 | 180.0° | 0.0° |
| NH2 | CZ | NH1 | HH11 | 0.0° | 0.0° |
| CZ | NH2 | HH21 | HH22 | 180.0° | 180.0° |
| N5 | C5 | S5 | C | 179.1° | 180.0° |
| N5 | C5 | S5 | C62 | 0.1° | 0.0° |
| C5 | N5 | C61 | C62 | 0.1° | 0.0° |
| C5 | N5 | C61 | C66 | 180.0° | 180.0° |
| N5 | C5 | C | O | 137.0° | 180.0° |
| C61 | N5 | C5 | S5 | 0.1° | 0.1° |
| N5 | C61 | C62 | S5 | 0.0° | 0.0° |
| C61 | N5 | C5 | C | 179.0° | 180.0° |
| N5 | C61 | C62 | C66 | 180.0° | 180.0° |
| N5 | C61 | C62 | C63 | 179.9° | 180.0° |
| N5 | C61 | C66 | C65 | 179.8° | 180.0° |
| N5 | C61 | C66 | H66 | 0.1° | 0.0° |
| C5 | S5 | C62 | C61 | 0.0° | 0.0° |
| C5 | S5 | C62 | C63 | 179.9° | 180.0° |
| S5 | C5 | C | O | 43.9° | 0.0° |
| C62 | S5 | C5 | C | 179.1° | 180.0° |
| S5 | C62 | C61 | C63 | 179.9° | 180.0° |
| S5 | C62 | C61 | C66 | 180.0° | 180.0° |
| S5 | C62 | C63 | C64 | 179.9° | 180.0° |
| S5 | C62 | C63 | H63 | 0.1° | 0.1° |
| C61 | C62 | C63 | C64 | 0.0° | 0.0° |
| C61 | C62 | C63 | H63 | 180.0° | 180.0° |
| C62 | C61 | C66 | C65 | 0.1° | 0.0° |
| C62 | C61 | C66 | H66 | 179.9° | 180.0° |
| C66 | C61 | C62 | C63 | 0.1° | 0.0° |
| C61 | C66 | C65 | C64 | 0.1° | 0.1° |
| C61 | C66 | C65 | H66 | 180.0° | 180.0° |
| C61 | C66 | C65 | H65 | 179.9° | 180.0° |
| C62 | C63 | C64 | H63 | 180.0° | 180.0° |
| C62 | C63 | C64 | C65 | 0.0° | 0.0° |
| C62 | C63 | C64 | C1 | 177.0° | 180.0° |
| C63 | C64 | C65 | C1 | 177.0° | 179.9° |
| C63 | C64 | C65 | C66 | 0.0° | 0.1° |
| C63 | C64 | C65 | H65 | 180.0° | 180.0° |
| C63 | C64 | C1 | O1 | 158.0° | 0.0° |
| C63 | C64 | C1 | O2 | 17.3° | 180.0° |
| H63 | C63 | C64 | C65 | 180.0° | 179.9° |
| H63 | C63 | C64 | C1 | 3.0° | 0.0° |
| C64 | C65 | C66 | H65 | 180.0° | 179.9° |
| C64 | C65 | C66 | H66 | 179.9° | 179.9° |
| C65 | C64 | C1 | O1 | 19.1° | 180.0° |
| C65 | C64 | C1 | O2 | 165.7° | 0.0° |
| C1 | C64 | C65 | C66 | 177.1° | 180.0° |
| C1 | C64 | C65 | H65 | 3.0° | 0.1° |
| C64 | C1 | O1 | O2 | 175.1° | 180.0° |
| C64 | C1 | O2 | HO21 | 175.0° | 180.0° |
| H65 | C65 | C66 | H66 | 0.1° | 0.0° |
| O1 | C1 | O2 | HO21 | 0.0° | 0.0° |
