ARO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.34Å | 1.23Å | |
| C | OXT | sing | 1.21Å | 1.33Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | OH | sing | 1.43Å | 1.30Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CG | HG | sing | 1.09Å | 1.12Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| CD | NE | sing | 1.46Å | 1.46Å | |
| CD | HD2 | sing | 1.09Å | 1.11Å | |
| CD | HD3 | sing | 1.09Å | 1.11Å | |
| NE | CZ | sing | 1.38Å | 1.33Å | |
| NE | HE | sing | 0.97Å | 1.02Å | |
| CZ | NH1 | sing | 1.34Å | 1.33Å | |
| CZ | NH2 | doub | 1.34Å | 1.33Å | |
| NH1 | HH11 | sing | 0.97Å | 1.02Å | |
| NH1 | HH12 | sing | 0.97Å | 1.02Å | |
| NH2 | HH21 | sing | 0.97Å | 1.02Å | |
| NH2 | HH22 | sing | 0.97Å | 1.02Å | |
| OXT | HXT | sing | 4.31Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 114.1° | 106.7° |
| CA | N | H2 | 110.5° | 106.7° |
| N | CA | C | 114.1° | 109.5° |
| N | CA | CB | 110.3° | 109.5° |
| N | CA | HA | 105.4° | 109.5° |
| H | N | H2 | 110.6° | 106.6° |
| C | CA | CB | 108.8° | 109.5° |
| C | CA | HA | 107.0° | 109.4° |
| CA | C | O | 119.9° | 120.0° |
| CA | C | OXT | 117.6° | 120.0° |
| CB | CA | HA | 111.2° | 109.4° |
| CA | CB | CG | 113.1° | 109.5° |
| CA | CB | HB2 | 110.8° | 109.4° |
| CA | CB | HB3 | 110.9° | 109.5° |
| O | C | OXT | 122.4° | 120.0° |
| C | OXT | HXT | 117.6° | 44.6° |
| CG | CB | HB2 | 110.9° | 109.5° |
| CG | CB | HB3 | 110.9° | 109.5° |
| CB | CG | OH | 116.5° | 109.5° |
| CB | CG | CD | 112.6° | 109.5° |
| CB | CG | HG | 104.7° | 109.4° |
| HB2 | CB | HB3 | 99.4° | 109.5° |
| OH | CG | CD | 116.8° | 109.5° |
| OH | CG | HG | 99.0° | 109.5° |
| CG | OH | HH | 116.6° | 106.8° |
| CD | CG | HG | 104.5° | 109.5° |
| CG | CD | NE | 115.2° | 109.4° |
| CG | CD | HD2 | 110.0° | 109.5° |
| CG | CD | HD3 | 110.1° | 109.5° |
| NE | CD | HD2 | 110.1° | 109.5° |
| NE | CD | HD3 | 110.2° | 109.5° |
| CD | NE | CZ | 125.8° | 120.0° |
| CD | NE | HE | 106.4° | 120.0° |
| HD2 | CD | HD3 | 100.1° | 109.4° |
| CZ | NE | HE | 106.5° | 120.0° |
| NE | CZ | NH1 | 121.3° | 120.0° |
| NE | CZ | NH2 | 119.2° | 120.0° |
| NH1 | CZ | NH2 | 119.5° | 120.0° |
| CZ | NH1 | HH11 | 121.3° | 120.0° |
| CZ | NH1 | HH12 | 107.9° | 120.0° |
| CZ | NH2 | HH21 | 119.5° | 120.0° |
| CZ | NH2 | HH22 | 119.2° | 120.0° |
| HH11 | NH1 | HH12 | 108.1° | 120.0° |
| HH21 | NH2 | HH22 | 121.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 113.8° |
| N | CA | C | CB | 123.6° | 120.0° |
| N | CA | C | HA | 116.2° | 120.0° |
| N | CA | CB | HA | 116.6° | 120.0° |
| N | CA | C | O | 138.7° | 160.0° |
| N | CA | C | OXT | 45.0° | 20.0° |
| N | CA | CB | CG | 60.7° | 66.3° |
| N | CA | CB | HB2 | 64.6° | 53.7° |
| N | CA | CB | HB3 | 174.0° | 173.7° |
| H | N | CA | C | 180.0° | 69.5° |
| H | N | CA | CB | 57.3° | 50.5° |
| H | N | CA | HA | 62.8° | 170.5° |
| H2 | N | CA | C | 54.7° | 176.8° |
| H2 | N | CA | CB | 68.1° | 63.2° |
| H2 | N | CA | HA | 171.8° | 56.8° |
| C | CA | CB | HA | 117.6° | 120.0° |
| CA | C | O | OXT | 176.2° | 179.9° |
| C | CA | CB | CG | 173.5° | 173.7° |
| C | CA | CB | HB2 | 61.3° | 66.3° |
| C | CA | CB | HB3 | 48.2° | 53.7° |
| CA | C | OXT | HXT | 180.0° | 33.6° |
| CB | CA | C | O | 15.1° | 79.9° |
| CB | CA | C | OXT | 168.5° | 100.0° |
| CA | CB | CG | HB2 | 125.2° | 119.9° |
| CA | CB | CG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 116.7° | 120.0° |
| CA | CB | CG | OH | 67.0° | 66.5° |
| CA | CB | CG | CD | 154.1° | 173.5° |
| CA | CB | CG | HG | 41.2° | 53.6° |
| HA | CA | C | O | 105.1° | 40.0° |
| HA | CA | C | OXT | 71.3° | 140.0° |
| HA | CA | CB | CG | 55.9° | 53.8° |
| HA | CA | CB | HB2 | 178.9° | 173.7° |
| HA | CA | CB | HB3 | 69.4° | 66.3° |
| O | C | OXT | HXT | 3.8° | 146.4° |
| CG | CB | HB2 | HB3 | 116.8° | 120.0° |
| CB | CG | OH | CD | 137.2° | 120.0° |
| CB | CG | OH | HG | 111.5° | 120.0° |
| CB | CG | CD | HG | 113.1° | 119.9° |
| CB | CG | OH | HH | 180.0° | 60.0° |
| CB | CG | CD | NE | 153.0° | 180.0° |
| CB | CG | CD | HD2 | 27.7° | 60.0° |
| CB | CG | CD | HD3 | 81.7° | 60.0° |
| HB2 | CB | CG | OH | 58.3° | 53.5° |
| HB2 | CB | CG | CD | 80.6° | 66.5° |
| HB2 | CB | CG | HG | 166.4° | 173.5° |
| HB3 | CB | CG | OH | 167.8° | 173.5° |
| HB3 | CB | CG | CD | 28.8° | 53.5° |
| HB3 | CB | CG | HG | 84.1° | 66.5° |
| OH | CG | CD | HG | 108.1° | 120.1° |
| OH | CG | CD | NE | 14.2° | 60.0° |
| OH | CG | CD | HD2 | 111.1° | 60.0° |
| OH | CG | CD | HD3 | 139.5° | 180.0° |
| CD | CG | OH | HH | 42.8° | 60.0° |
| CG | CD | NE | HD2 | 125.2° | 120.0° |
| CG | CD | NE | HD3 | 125.3° | 120.0° |
| CG | CD | HD2 | HD3 | 115.9° | 120.0° |
| CG | CD | NE | CZ | 158.4° | 180.0° |
| CG | CD | NE | HE | 76.3° | 0.0° |
| HG | CG | OH | HH | 68.5° | 180.0° |
| HG | CG | CD | NE | 93.9° | 60.1° |
| HG | CG | CD | HD2 | 140.8° | 180.0° |
| HG | CG | CD | HD3 | 31.4° | 60.0° |
| NE | CD | HD2 | HD3 | 116.0° | 120.0° |
| CD | NE | CZ | HE | 125.3° | 179.9° |
| CD | NE | CZ | NH1 | 0.6° | 0.0° |
| CD | NE | CZ | NH2 | 176.5° | 180.0° |
| HD2 | CD | NE | CZ | 76.4° | 60.0° |
| HD2 | CD | NE | HE | 48.9° | 120.1° |
| HD3 | CD | NE | CZ | 33.1° | 60.0° |
| HD3 | CD | NE | HE | 158.4° | 120.0° |
| NE | CZ | NH1 | NH2 | 177.1° | 180.0° |
| NE | CZ | NH1 | HH11 | 180.0° | 0.0° |
| NE | CZ | NH1 | HH12 | 54.7° | 179.9° |
| NE | CZ | NH2 | HH21 | 2.8° | 180.0° |
| NE | CZ | NH2 | HH22 | 180.0° | 0.0° |
| HE | NE | CZ | NH1 | 125.9° | 180.0° |
| HE | NE | CZ | NH2 | 51.3° | 0.1° |
| CZ | NH1 | HH11 | HH12 | 125.2° | 179.9° |
| NH1 | CZ | NH2 | HH21 | 180.0° | 0.0° |
| NH1 | CZ | NH2 | HH22 | 2.8° | 180.0° |
| NH2 | CZ | NH1 | HH11 | 2.9° | 180.0° |
| NH2 | CZ | NH1 | HH12 | 128.2° | 0.0° |
| CZ | NH2 | HH21 | HH22 | 177.2° | 180.0° |
