A5R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | CA | sing | 1.51Å | 1.54Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| O1 | C1 | doub | 1.21Å | 1.25Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.49Å | |
| CB | H1B | sing | 1.09Å | 1.10Å | |
| CB | H2B | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.47Å | 1.45Å | |
| CD | H1D | sing | 1.09Å | 1.10Å | |
| CD | H2D | sing | 1.09Å | 1.10Å | |
| NE | CZ | sing | 1.37Å | 1.34Å | |
| NE | HNE | sing | 0.97Å | 1.00Å | |
| CG | CD | sing | 1.53Å | 1.51Å | |
| CG | H1G | sing | 1.09Å | 1.10Å | |
| CG | H2G | sing | 1.09Å | 1.10Å | |
| CZ | NH1 | sing | 1.33Å | 1.35Å | |
| CZ | NH2 | doub | 1.33Å | 1.33Å | |
| NH1 | H1H1 | sing | 0.97Å | 1.00Å | |
| NH1 | H2H1 | sing | 0.97Å | 1.00Å | |
| NH2 | H1H2 | sing | 0.97Å | 1.00Å | |
| NH2 | H2H2 | sing | 0.97Å | 1.00Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | C2 | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å | |
| C5 | C1 | sing | 1.51Å | 1.54Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H25 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C1 | O1 | 120.3° | 120.0° |
| C1 | CA | N | 116.3° | 109.5° |
| C1 | CA | CB | 111.0° | 109.4° |
| C1 | CA | HA | 103.1° | 109.5° |
| CA | C1 | C5 | 118.2° | 120.0° |
| H2 | N | H | 109.4° | 110.9° |
| H2 | N | CA | 109.5° | 111.0° |
| H | N | CA | 109.5° | 111.1° |
| O1 | C1 | C5 | 118.6° | 120.0° |
| N | CA | CB | 108.3° | 109.4° |
| N | CA | HA | 106.1° | 109.5° |
| CB | CA | HA | 111.9° | 109.5° |
| CA | CB | CG | 106.6° | 109.5° |
| CA | CB | H1B | 110.4° | 109.5° |
| CA | CB | H2B | 110.4° | 109.4° |
| CG | CB | H1B | 110.4° | 109.5° |
| CG | CB | H2B | 110.4° | 109.5° |
| CB | CG | CD | 115.4° | 109.5° |
| CB | CG | H1G | 107.5° | 109.5° |
| CB | CG | H2G | 107.5° | 109.5° |
| H1B | CB | H2B | 108.5° | 109.5° |
| NE | CD | H1D | 111.0° | 109.5° |
| NE | CD | H2D | 111.0° | 109.5° |
| CD | NE | CZ | 122.9° | 120.0° |
| CD | NE | HNE | 118.6° | 120.0° |
| NE | CD | CG | 104.9° | 109.4° |
| H1D | CD | H2D | 107.9° | 109.5° |
| H1D | CD | CG | 111.0° | 109.5° |
| H2D | CD | CG | 111.0° | 109.5° |
| CZ | NE | HNE | 118.5° | 120.0° |
| NE | CZ | NH1 | 120.9° | 120.0° |
| NE | CZ | NH2 | 117.5° | 120.0° |
| CD | CG | H1G | 107.5° | 109.5° |
| CD | CG | H2G | 107.5° | 109.5° |
| H1G | CG | H2G | 111.3° | 109.5° |
| NH1 | CZ | NH2 | 121.6° | 120.0° |
| CZ | NH1 | H1H1 | 120.0° | 120.0° |
| CZ | NH1 | H2H1 | 120.0° | 120.0° |
| CZ | NH2 | H1H2 | 120.0° | 120.0° |
| CZ | NH2 | H2H2 | 120.0° | 119.9° |
| H1H1 | NH1 | H2H1 | 120.0° | 120.0° |
| H1H2 | NH2 | H2H2 | 120.0° | 120.0° |
| O | C | C2 | 125.3° | 120.0° |
| O | C | OXT | 117.4° | 120.0° |
| C2 | C | OXT | 117.3° | 120.0° |
| C | C2 | C3 | 115.5° | 109.5° |
| C | C2 | H12 | 107.5° | 109.5° |
| C | C2 | H22 | 107.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| C3 | C2 | H12 | 107.5° | 109.5° |
| C3 | C2 | H22 | 107.5° | 109.5° |
| C2 | C3 | C4 | 110.9° | 109.5° |
| C2 | C3 | H13 | 109.0° | 109.5° |
| C2 | C3 | H23 | 109.0° | 109.4° |
| H12 | C2 | H22 | 111.3° | 109.5° |
| C4 | C3 | H13 | 109.0° | 109.5° |
| C4 | C3 | H23 | 109.0° | 109.4° |
| C3 | C4 | C5 | 112.3° | 109.5° |
| C3 | C4 | H14 | 108.5° | 109.5° |
| C3 | C4 | H24 | 108.5° | 109.5° |
| H13 | C3 | H23 | 109.9° | 109.5° |
| C5 | C4 | H14 | 108.5° | 109.4° |
| C5 | C4 | H24 | 108.5° | 109.5° |
| C4 | C5 | C1 | 113.5° | 109.5° |
| C4 | C5 | H15 | 108.2° | 109.5° |
| C4 | C5 | H25 | 108.2° | 109.5° |
| H14 | C4 | H24 | 110.4° | 109.5° |
| C1 | C5 | H15 | 108.2° | 109.5° |
| C1 | C5 | H25 | 108.2° | 109.5° |
| H15 | C5 | H25 | 110.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | CA | N | H2 | 180.0° | 64.0° |
| C1 | CA | N | H | 60.0° | 59.9° |
| CA | C1 | O1 | C5 | 160.7° | 179.8° |
| C1 | CA | N | CB | 125.8° | 119.9° |
| C1 | CA | N | HA | 113.9° | 120.1° |
| C1 | CA | CB | HA | 114.6° | 120.0° |
| C1 | CA | CB | CG | 146.7° | 175.0° |
| C1 | CA | CB | H1B | 93.3° | 65.0° |
| C1 | CA | CB | H2B | 26.8° | 55.0° |
| CA | C1 | C5 | C4 | 172.4° | 180.0° |
| CA | C1 | C5 | H15 | 67.6° | 59.9° |
| CA | C1 | C5 | H25 | 52.4° | 60.0° |
| H2 | N | H | CA | 120.0° | 123.9° |
| H2 | N | CA | CB | 54.2° | 176.1° |
| H2 | N | CA | HA | 66.1° | 56.1° |
| H | N | CA | CB | 174.2° | 60.0° |
| H | N | CA | HA | 53.9° | 180.0° |
| O1 | C1 | CA | N | 135.6° | 14.9° |
| O1 | C1 | CA | CB | 11.1° | 105.0° |
| O1 | C1 | CA | HA | 108.8° | 135.0° |
| O1 | C1 | C5 | C4 | 11.3° | 0.2° |
| O1 | C1 | C5 | H15 | 131.3° | 120.3° |
| O1 | C1 | C5 | H25 | 108.7° | 119.8° |
| N | CA | CB | HA | 116.6° | 120.0° |
| N | CA | CB | CG | 84.4° | 65.0° |
| N | CA | CB | H1B | 35.6° | 55.0° |
| N | CA | CB | H2B | 155.6° | 175.0° |
| N | CA | C1 | C5 | 25.2° | 165.3° |
| CA | CB | CG | H1B | 120.0° | 120.0° |
| CA | CB | CG | H2B | 120.0° | 120.0° |
| CA | CB | H1B | H2B | 121.2° | 120.0° |
| CA | CB | CG | CD | 178.7° | 180.0° |
| CA | CB | CG | H1G | 61.3° | 60.0° |
| CA | CB | CG | H2G | 58.7° | 60.0° |
| CB | CA | C1 | C5 | 149.6° | 74.8° |
| HA | CA | CB | CG | 32.2° | 55.0° |
| HA | CA | CB | H1B | 152.1° | 175.0° |
| HA | CA | CB | H2B | 87.8° | 65.0° |
| HA | CA | C1 | C5 | 90.4° | 45.2° |
| CG | CB | H1B | H2B | 121.2° | 120.0° |
| CB | CG | CD | NE | 158.9° | 180.0° |
| CB | CG | CD | H1D | 38.9° | 60.0° |
| CB | CG | CD | H2D | 81.1° | 60.0° |
| CB | CG | CD | H1G | 120.0° | 120.0° |
| CB | CG | CD | H2G | 120.0° | 120.0° |
| CB | CG | H1G | H2G | 117.5° | 120.0° |
| H1B | CB | CG | CD | 58.8° | 60.0° |
| H1B | CB | CG | H1G | 178.8° | 180.0° |
| H1B | CB | CG | H2G | 61.3° | 60.0° |
| H2B | CB | CG | CD | 61.3° | 60.0° |
| H2B | CB | CG | H1G | 58.7° | 60.0° |
| H2B | CB | CG | H2G | 178.7° | 180.0° |
| NE | CD | H1D | H2D | 121.8° | 120.0° |
| NE | CD | H1D | CG | 116.3° | 120.0° |
| NE | CD | H2D | CG | 116.3° | 120.0° |
| CD | NE | CZ | HNE | 180.0° | 179.9° |
| NE | CD | CG | H1G | 38.9° | 60.0° |
| NE | CD | CG | H2G | 81.1° | 60.0° |
| CD | NE | CZ | NH1 | 1.0° | 0.0° |
| CD | NE | CZ | NH2 | 177.3° | 180.0° |
| H1D | CD | H2D | CG | 121.8° | 120.0° |
| H1D | CD | NE | CZ | 69.8° | 60.0° |
| H1D | CD | NE | HNE | 110.2° | 119.9° |
| H1D | CD | CG | H1G | 81.1° | 60.0° |
| H1D | CD | CG | H2G | 158.9° | 180.0° |
| H2D | CD | NE | CZ | 50.1° | 60.0° |
| H2D | CD | NE | HNE | 129.9° | 120.0° |
| H2D | CD | CG | H1G | 158.9° | 180.0° |
| H2D | CD | CG | H2G | 38.9° | 60.0° |
| CZ | NE | CD | CG | 170.2° | 180.0° |
| NE | CZ | NH1 | NH2 | 178.2° | 179.9° |
| NE | CZ | NH1 | H1H1 | 178.3° | 0.0° |
| NE | CZ | NH1 | H2H1 | 1.8° | 180.0° |
| NE | CZ | NH2 | H1H2 | 178.3° | 0.1° |
| NE | CZ | NH2 | H2H2 | 1.7° | 180.0° |
| HNE | NE | CD | CG | 9.8° | 0.1° |
| HNE | NE | CZ | NH1 | 179.0° | 180.0° |
| HNE | NE | CZ | NH2 | 2.7° | 0.1° |
| CD | CG | H1G | H2G | 117.6° | 120.0° |
| CZ | NH1 | H1H1 | H2H1 | 180.0° | 180.0° |
| NH1 | CZ | NH2 | H1H2 | 0.0° | 180.0° |
| NH1 | CZ | NH2 | H2H2 | 180.0° | 0.0° |
| NH2 | CZ | NH1 | H1H1 | 0.0° | 180.0° |
| NH2 | CZ | NH1 | H2H1 | 180.0° | 0.0° |
| CZ | NH2 | H1H2 | H2H2 | 180.0° | 179.9° |
| O | C | C2 | OXT | 180.0° | 179.9° |
| O | C | C2 | C3 | 55.9° | 0.1° |
| O | C | C2 | H12 | 64.1° | 119.9° |
| O | C | C2 | H22 | 175.9° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | C2 | C3 | H12 | 120.0° | 120.0° |
| C | C2 | C3 | H22 | 120.0° | 120.0° |
| C | C2 | H12 | H22 | 117.5° | 120.0° |
| C | C2 | C3 | C4 | 57.7° | 180.0° |
| C | C2 | C3 | H13 | 62.3° | 59.9° |
| C | C2 | C3 | H23 | 177.7° | 60.0° |
| C2 | C | OXT | HXT | 180.0° | 180.0° |
| OXT | C | C2 | C3 | 124.2° | 180.0° |
| OXT | C | C2 | H12 | 115.8° | 60.0° |
| OXT | C | C2 | H22 | 4.2° | 60.0° |
| C3 | C2 | H12 | H22 | 117.5° | 120.0° |
| C2 | C3 | C4 | H13 | 120.0° | 120.1° |
| C2 | C3 | C4 | H23 | 120.0° | 119.9° |
| C2 | C3 | H13 | H23 | 119.4° | 120.0° |
| C2 | C3 | C4 | C5 | 168.9° | 180.0° |
| C2 | C3 | C4 | H14 | 71.1° | 60.0° |
| C2 | C3 | C4 | H24 | 48.9° | 60.0° |
| H12 | C2 | C3 | C4 | 177.8° | 60.0° |
| H12 | C2 | C3 | H13 | 57.8° | 180.0° |
| H12 | C2 | C3 | H23 | 62.3° | 60.0° |
| H22 | C2 | C3 | C4 | 62.3° | 60.0° |
| H22 | C2 | C3 | H13 | 177.7° | 60.1° |
| H22 | C2 | C3 | H23 | 57.7° | 179.9° |
| C4 | C3 | H13 | H23 | 119.4° | 120.0° |
| C3 | C4 | C5 | H14 | 120.0° | 120.0° |
| C3 | C4 | C5 | H24 | 120.0° | 120.0° |
| C3 | C4 | H14 | H24 | 118.8° | 120.0° |
| C3 | C4 | C5 | C1 | 166.5° | 180.0° |
| C3 | C4 | C5 | H15 | 46.4° | 60.0° |
| C3 | C4 | C5 | H25 | 73.5° | 59.9° |
| H13 | C3 | C4 | C5 | 48.9° | 60.0° |
| H13 | C3 | C4 | H14 | 168.9° | 180.0° |
| H13 | C3 | C4 | H24 | 71.1° | 60.0° |
| H23 | C3 | C4 | C5 | 71.1° | 60.0° |
| H23 | C3 | C4 | H14 | 48.9° | 60.0° |
| H23 | C3 | C4 | H24 | 168.9° | 180.0° |
| C5 | C4 | H14 | H24 | 118.8° | 120.0° |
| C4 | C5 | C1 | H15 | 120.0° | 120.0° |
| C4 | C5 | C1 | H25 | 120.0° | 120.0° |
| C4 | C5 | H15 | H25 | 118.4° | 120.0° |
| H14 | C4 | C5 | C1 | 73.5° | 60.0° |
| H14 | C4 | C5 | H15 | 166.5° | 60.0° |
| H14 | C4 | C5 | H25 | 46.5° | 180.0° |
| H24 | C4 | C5 | C1 | 46.5° | 59.9° |
| H24 | C4 | C5 | H15 | 73.6° | 180.0° |
| H24 | C4 | C5 | H25 | 166.5° | 60.1° |
| C1 | C5 | H15 | H25 | 118.4° | 120.0° |
