OPR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C3 | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.51Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.47Å | 1.46Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | 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 | 1.38Å | 1.33Å | |
| NH1 | HH1 | sing | 0.97Å | 1.00Å | |
| NH2 | HH21 | sing | 0.97Å | 1.00Å | |
| NH2 | HH22 | sing | 0.97Å | 1.00Å | |
| C3 | O1 | doub | 1.21Å | 1.24Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.48Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 110.9° |
| N | CA | CB | 108.7° | 109.5° |
| N | CA | C3 | 110.8° | 109.5° |
| N | CA | HA | 110.7° | 109.4° |
| H | N | H2 | 109.4° | 111.0° |
| CB | CA | C3 | 113.7° | 109.5° |
| CB | CA | HA | 107.6° | 109.4° |
| CA | CB | CG | 110.4° | 109.5° |
| CA | CB | HB2 | 109.2° | 109.4° |
| CA | CB | HB3 | 109.2° | 109.5° |
| C3 | CA | HA | 105.4° | 109.5° |
| CA | C3 | O1 | 122.0° | 120.0° |
| CA | C3 | C2 | 115.0° | 120.0° |
| CG | CB | HB2 | 109.1° | 109.4° |
| CG | CB | HB3 | 109.2° | 109.5° |
| CB | CG | CD | 114.0° | 109.5° |
| CB | CG | HG2 | 108.0° | 109.4° |
| CB | CG | HG3 | 108.0° | 109.5° |
| HB2 | CB | HB3 | 109.8° | 109.5° |
| CD | CG | HG2 | 108.0° | 109.5° |
| CD | CG | HG3 | 108.0° | 109.5° |
| CG | CD | NE | 109.6° | 109.5° |
| CG | CD | HD2 | 109.4° | 109.5° |
| CG | CD | HD3 | 109.4° | 109.5° |
| HG2 | CG | HG3 | 110.9° | 109.5° |
| NE | CD | HD2 | 109.4° | 109.5° |
| NE | CD | HD3 | 109.4° | 109.4° |
| CD | NE | CZ | 125.2° | 120.0° |
| CD | NE | HE | 117.4° | 120.0° |
| HD2 | CD | HD3 | 109.5° | 109.5° |
| CZ | NE | HE | 117.4° | 120.0° |
| NE | CZ | NH1 | 120.2° | 120.0° |
| NE | CZ | NH2 | 119.7° | 120.0° |
| NH1 | CZ | NH2 | 119.9° | 120.0° |
| CZ | NH1 | HH1 | 112.0° | 120.0° |
| CZ | NH2 | HH21 | 120.0° | 120.0° |
| CZ | NH2 | HH22 | 120.0° | 120.0° |
| HH21 | NH2 | HH22 | 120.0° | 120.0° |
| O1 | C3 | C2 | 122.8° | 120.0° |
| C3 | C2 | C1 | 112.2° | 109.5° |
| C3 | C2 | H11 | 108.6° | 109.5° |
| C3 | C2 | H12 | 108.6° | 109.5° |
| C1 | C2 | H11 | 108.6° | 109.4° |
| C1 | C2 | H12 | 108.6° | 109.5° |
| C2 | C1 | C | 112.1° | 109.5° |
| C2 | C1 | H21 | 108.6° | 109.4° |
| C2 | C1 | H22 | 108.6° | 109.5° |
| H11 | C2 | H12 | 110.3° | 109.4° |
| C | C1 | H21 | 108.6° | 109.5° |
| C | C1 | H22 | 108.6° | 109.5° |
| C1 | C | O | 119.1° | 120.0° |
| C1 | C | OXT | 120.4° | 120.0° |
| H21 | C1 | H22 | 110.3° | 109.5° |
| O | C | OXT | 120.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | C3 | 123.8° | 120.1° |
| N | CA | CB | HA | 119.9° | 119.9° |
| N | CA | C3 | HA | 119.8° | 120.0° |
| N | CA | CB | CG | 61.3° | 64.9° |
| N | CA | CB | HB2 | 58.7° | 55.1° |
| N | CA | CB | HB3 | 178.7° | 175.0° |
| N | CA | C3 | O1 | 146.8° | 15.0° |
| N | CA | C3 | C2 | 27.9° | 165.0° |
| H | N | CA | CB | 180.0° | 176.0° |
| H | N | CA | C3 | 54.4° | 63.9° |
| H | N | CA | HA | 62.1° | 56.1° |
| H2 | N | CA | CB | 60.0° | 60.0° |
| H2 | N | CA | C3 | 65.6° | 60.0° |
| H2 | N | CA | HA | 177.9° | 180.0° |
| CB | CA | C3 | HA | 117.6° | 119.9° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 119.6° | 120.0° |
| CA | CB | CG | CD | 175.9° | 180.0° |
| CA | CB | CG | HG2 | 64.1° | 60.0° |
| CA | CB | CG | HG3 | 55.8° | 59.9° |
| CB | CA | C3 | O1 | 24.1° | 105.0° |
| CB | CA | C3 | C2 | 150.6° | 74.9° |
| C3 | CA | CB | CG | 174.9° | 175.0° |
| C3 | CA | CB | HB2 | 65.1° | 65.0° |
| C3 | CA | CB | HB3 | 54.9° | 54.9° |
| CA | C3 | O1 | C2 | 174.2° | 179.9° |
| CA | C3 | C2 | C1 | 156.5° | 180.0° |
| CA | C3 | C2 | H11 | 83.5° | 60.1° |
| CA | C3 | C2 | H12 | 36.4° | 59.9° |
| HA | CA | CB | CG | 58.6° | 55.0° |
| HA | CA | CB | HB2 | 178.6° | 175.0° |
| HA | CA | CB | HB3 | 61.4° | 65.1° |
| HA | CA | C3 | O1 | 93.4° | 135.0° |
| HA | CA | C3 | C2 | 91.9° | 45.0° |
| CG | CB | HB2 | HB3 | 119.6° | 120.0° |
| CB | CG | CD | HG2 | 120.0° | 120.0° |
| CB | CG | CD | HG3 | 120.0° | 120.0° |
| CB | CG | HG2 | HG3 | 118.1° | 120.0° |
| CB | CG | CD | NE | 151.0° | 179.9° |
| CB | CG | CD | HD2 | 88.9° | 60.0° |
| CB | CG | CD | HD3 | 31.0° | 60.0° |
| HB2 | CB | CG | CD | 55.8° | 60.0° |
| HB2 | CB | CG | HG2 | 175.8° | NaN° |
| HB2 | CB | CG | HG3 | 64.2° | 60.0° |
| HB3 | CB | CG | CD | 64.1° | 60.0° |
| HB3 | CB | CG | HG2 | 55.9° | 60.0° |
| HB3 | CB | CG | HG3 | 175.9° | 180.0° |
| CD | CG | HG2 | HG3 | 118.1° | 120.0° |
| CG | CD | NE | HD2 | 120.0° | 120.0° |
| CG | CD | NE | HD3 | 120.0° | 120.0° |
| CG | CD | HD2 | HD3 | 119.9° | 120.0° |
| CG | CD | NE | CZ | 179.4° | 180.0° |
| CG | CD | NE | HE | 0.6° | 0.0° |
| HG2 | CG | CD | NE | 31.0° | 60.0° |
| HG2 | CG | CD | HD2 | 151.1° | 180.0° |
| HG2 | CG | CD | HD3 | 89.0° | 60.0° |
| HG3 | CG | CD | NE | 89.0° | 60.1° |
| HG3 | CG | CD | HD2 | 31.1° | 60.0° |
| HG3 | CG | CD | HD3 | 151.0° | 180.0° |
| NE | CD | HD2 | HD3 | 120.0° | 119.9° |
| CD | NE | CZ | HE | 180.0° | 180.0° |
| CD | NE | CZ | NH1 | 0.8° | 180.0° |
| CD | NE | CZ | NH2 | 175.3° | 0.0° |
| HD2 | CD | NE | CZ | 60.6° | 60.0° |
| HD2 | CD | NE | HE | 119.4° | 120.0° |
| HD3 | CD | NE | CZ | 59.4° | 60.0° |
| HD3 | CD | NE | HE | 120.6° | 120.0° |
| NE | CZ | NH1 | NH2 | 176.2° | 180.0° |
| NE | CZ | NH1 | HH1 | 176.2° | 180.0° |
| NE | CZ | NH2 | HH21 | 176.2° | 0.0° |
| NE | CZ | NH2 | HH22 | 3.8° | 180.0° |
| HE | NE | CZ | NH1 | 179.1° | 0.0° |
| HE | NE | CZ | NH2 | 4.7° | 180.0° |
| NH1 | CZ | NH2 | HH21 | 0.0° | 180.0° |
| NH1 | CZ | NH2 | HH22 | 180.0° | 0.1° |
| NH2 | CZ | NH1 | HH1 | 0.0° | 0.0° |
| CZ | NH2 | HH21 | HH22 | 180.0° | 179.9° |
| O1 | C3 | C2 | C1 | 28.9° | 0.1° |
| O1 | C3 | C2 | H11 | 91.1° | 120.0° |
| O1 | C3 | C2 | H12 | 149.0° | 120.0° |
| C3 | C2 | C1 | H11 | 120.0° | 120.0° |
| C3 | C2 | C1 | H12 | 120.0° | 120.1° |
| C3 | C2 | H11 | H12 | 118.9° | 120.0° |
| C3 | C2 | C1 | C | 57.0° | 180.0° |
| C3 | C2 | C1 | H21 | 63.0° | 60.0° |
| C3 | C2 | C1 | H22 | 177.0° | 60.0° |
| C1 | C2 | H11 | H12 | 118.9° | 120.0° |
| C2 | C1 | C | H21 | 120.0° | 120.0° |
| C2 | C1 | C | H22 | 120.0° | 120.0° |
| C2 | C1 | H21 | H22 | 118.9° | 120.0° |
| C2 | C1 | C | O | 40.6° | 0.0° |
| C2 | C1 | C | OXT | 139.4° | 180.0° |
| H11 | C2 | C1 | C | 177.0° | 60.0° |
| H11 | C2 | C1 | H21 | 56.9° | 180.0° |
| H11 | C2 | C1 | H22 | 63.1° | 60.0° |
| H12 | C2 | C1 | C | 63.1° | 60.0° |
| H12 | C2 | C1 | H21 | 176.9° | 60.0° |
| H12 | C2 | C1 | H22 | 56.9° | 180.0° |
| C | C1 | H21 | H22 | 118.9° | 120.0° |
| C1 | C | O | OXT | 180.0° | 179.9° |
| C1 | C | OXT | HXT | 180.0° | 180.0° |
| H21 | C1 | C | O | 160.6° | 119.9° |
| H21 | C1 | C | OXT | 19.4° | 60.0° |
| H22 | C1 | C | O | 79.4° | 120.0° |
| H22 | C1 | C | OXT | 100.6° | 60.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
