A1JHR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.44Å | |
| CA | C | sing | 1.51Å | 1.48Å | |
| N1 | C | sing | 1.35Å | 1.30Å | |
| N1 | CA1 | sing | 1.47Å | 1.44Å | |
| C | O | doub | 1.21Å | 1.20Å | |
| OG | CB | sing | 1.43Å | 1.42Å | |
| CB | CA1 | sing | 1.53Å | 1.52Å | |
| CA1 | C1 | sing | 1.51Å | 1.52Å | |
| O1 | C1 | doub | 1.21Å | 1.19Å | |
| C1 | NZ | sing | 1.35Å | 1.32Å | |
| NZ | CE | sing | 1.46Å | 1.44Å | |
| CE | CD | sing | 1.53Å | 1.49Å | |
| CB1 | CG | sing | 1.53Å | 1.51Å | |
| CB1 | CA2 | sing | 1.53Å | 1.52Å | |
| CG | CD | sing | 1.53Å | 1.49Å | |
| N2 | CA2 | sing | 1.47Å | 1.47Å | |
| CA2 | C2 | sing | 1.51Å | 1.53Å | |
| O2 | C2 | doub | 1.21Å | 1.21Å | |
| C2 | OXT | sing | 1.34Å | 1.22Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CA | H5 | sing | 1.09Å | 1.10Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| CA1 | H7 | sing | 1.09Å | 1.10Å | |
| CB | H8 | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| OG | H10 | sing | 0.97Å | 0.95Å | |
| N2 | H11 | sing | 1.01Å | 1.00Å | |
| N2 | H12 | sing | 1.01Å | 1.00Å | |
| CA2 | H14 | sing | 1.09Å | 1.10Å | |
| CB1 | H15 | sing | 1.09Å | 1.10Å | |
| CB1 | H16 | sing | 1.09Å | 1.10Å | |
| CG | H17 | sing | 1.09Å | 1.10Å | |
| CG | H18 | sing | 1.09Å | 1.10Å | |
| CD | H19 | sing | 1.09Å | 1.10Å | |
| CD | H20 | sing | 1.09Å | 1.10Å | |
| CE | H21 | sing | 1.09Å | 1.10Å | |
| CE | H22 | sing | 1.09Å | 1.10Å | |
| NZ | H23 | sing | 0.97Å | 1.00Å | |
| OXT | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 108.2° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 110.9° |
| N | CA | H4 | 109.8° | 109.5° |
| N | CA | H5 | 109.8° | 109.4° |
| CA | C | N1 | 113.8° | 120.0° |
| CA | C | O | 121.3° | 119.9° |
| C | CA | H4 | 109.8° | 109.5° |
| C | CA | H5 | 109.8° | 109.4° |
| C | N1 | CA1 | 123.4° | 120.0° |
| N1 | C | O | 124.9° | 120.0° |
| C | N1 | H6 | 118.3° | 120.0° |
| N1 | CA1 | CB | 111.9° | 109.4° |
| N1 | CA1 | C1 | 102.8° | 109.5° |
| CA1 | N1 | H6 | 118.3° | 120.0° |
| N1 | CA1 | H7 | 111.4° | 109.4° |
| OG | CB | CA1 | 112.4° | 109.5° |
| OG | CB | H8 | 108.7° | 109.5° |
| OG | CB | H9 | 108.7° | 109.5° |
| CB | OG | H10 | 109.5° | 113.9° |
| CB | CA1 | C1 | 110.0° | 109.5° |
| CB | CA1 | H7 | 110.3° | 109.5° |
| CA1 | CB | H8 | 108.8° | 109.4° |
| CA1 | CB | H9 | 108.7° | 109.4° |
| CA1 | C1 | O1 | 120.0° | 120.0° |
| CA1 | C1 | NZ | 114.4° | 120.0° |
| C1 | CA1 | H7 | 110.2° | 109.5° |
| O1 | C1 | NZ | 125.0° | 120.0° |
| C1 | NZ | CE | 128.1° | 120.0° |
| C1 | NZ | H23 | 115.9° | 120.0° |
| NZ | CE | CD | 108.2° | 109.5° |
| NZ | CE | H21 | 109.8° | 109.5° |
| NZ | CE | H22 | 109.8° | 109.4° |
| CE | NZ | H23 | 116.0° | 120.0° |
| CE | CD | CG | 107.9° | 109.5° |
| CE | CD | H19 | 109.9° | 109.5° |
| CE | CD | H20 | 109.9° | 109.5° |
| CD | CE | H21 | 109.8° | 109.5° |
| CD | CE | H22 | 109.8° | 109.5° |
| CG | CB1 | CA2 | 113.3° | 109.5° |
| CB1 | CG | CD | 109.1° | 109.5° |
| CG | CB1 | H15 | 108.5° | 109.5° |
| CG | CB1 | H16 | 108.5° | 109.5° |
| CB1 | CG | H17 | 109.6° | 109.5° |
| CB1 | CG | H18 | 109.6° | 109.4° |
| CB1 | CA2 | N2 | 111.1° | 109.4° |
| CB1 | CA2 | C2 | 113.7° | 109.5° |
| CB1 | CA2 | H14 | 106.3° | 109.5° |
| CA2 | CB1 | H15 | 108.5° | 109.5° |
| CA2 | CB1 | H16 | 108.5° | 109.4° |
| CD | CG | H17 | 109.6° | 109.5° |
| CD | CG | H18 | 109.6° | 109.5° |
| CG | CD | H19 | 109.9° | 109.5° |
| CG | CD | H20 | 109.9° | 109.5° |
| N2 | CA2 | C2 | 112.1° | 109.5° |
| CA2 | N2 | H11 | 109.5° | 111.0° |
| CA2 | N2 | H12 | 109.5° | 111.1° |
| N2 | CA2 | H14 | 106.9° | 109.5° |
| CA2 | C2 | O2 | 119.7° | 120.0° |
| CA2 | C2 | OXT | 117.1° | 120.0° |
| C2 | CA2 | H14 | 106.2° | 109.5° |
| O2 | C2 | OXT | 123.2° | 120.0° |
| C2 | OXT | H24 | 109.5° | 117.0° |
| H1 | N | H2 | 109.5° | 111.0° |
| H4 | CA | H5 | 109.5° | 109.5° |
| H8 | CB | H9 | 109.4° | 109.5° |
| H11 | N2 | H12 | 109.4° | 111.0° |
| H15 | CB1 | H16 | 109.5° | 109.5° |
| H17 | CG | H18 | 109.4° | 109.5° |
| H19 | CD | H20 | 109.5° | 109.4° |
| H21 | CE | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | H4 | 119.8° | 120.1° |
| N | CA | C | H5 | 119.8° | 119.9° |
| N | CA | C | N1 | 150.3° | 179.9° |
| N | CA | C | O | 26.9° | 0.0° |
| CA | N | H1 | H2 | 120.0° | 123.9° |
| N | CA | H4 | H5 | 120.6° | 120.0° |
| CA | C | N1 | O | 177.0° | 179.9° |
| CA | C | N1 | CA1 | 175.0° | 180.0° |
| C | CA | N | H1 | 180.0° | 180.0° |
| C | CA | N | H2 | 60.0° | 56.1° |
| C | CA | H4 | H5 | 120.6° | 119.9° |
| CA | C | N1 | H6 | 4.9° | 0.0° |
| C | N1 | CA1 | H6 | 180.0° | 180.0° |
| C | N1 | CA1 | CB | 162.2° | 85.0° |
| C | N1 | CA1 | C1 | 79.8° | 155.0° |
| N1 | C | CA | H4 | 30.5° | 60.0° |
| N1 | C | CA | H5 | 89.9° | 60.0° |
| C | N1 | CA1 | H7 | 38.2° | 35.0° |
| CA1 | N1 | C | O | 7.9° | 0.1° |
| N1 | CA1 | CB | OG | 99.3° | 65.0° |
| N1 | CA1 | CB | C1 | 113.6° | 120.0° |
| N1 | CA1 | CB | H7 | 124.7° | 120.0° |
| N1 | CA1 | C1 | H7 | 118.9° | 120.0° |
| N1 | CA1 | C1 | O1 | 57.1° | 0.1° |
| N1 | CA1 | C1 | NZ | 114.2° | 180.0° |
| N1 | CA1 | CB | H8 | 140.3° | 175.0° |
| N1 | CA1 | CB | H9 | 21.2° | 55.0° |
| O | C | CA | H4 | 146.7° | 120.1° |
| O | C | CA | H5 | 92.9° | 119.9° |
| O | C | N1 | H6 | 172.1° | 180.0° |
| OG | CB | CA1 | H8 | 120.4° | 120.0° |
| OG | CB | CA1 | H9 | 120.4° | 120.0° |
| OG | CB | CA1 | C1 | 147.1° | 55.0° |
| OG | CB | CA1 | H7 | 25.4° | 175.0° |
| OG | CB | H8 | H9 | 118.6° | 120.1° |
| CB | CA1 | C1 | H7 | 121.8° | 120.0° |
| CB | CA1 | C1 | O1 | 62.3° | 120.0° |
| CB | CA1 | C1 | NZ | 126.5° | 60.0° |
| CB | CA1 | N1 | H6 | 17.8° | 95.0° |
| CA1 | CB | H8 | H9 | 118.7° | 120.0° |
| CA1 | CB | OG | H10 | 180.0° | 179.9° |
| CA1 | C1 | O1 | NZ | 170.3° | 179.9° |
| CA1 | C1 | NZ | CE | 179.7° | 179.9° |
| C1 | CA1 | N1 | H6 | 100.2° | 25.0° |
| C1 | CA1 | CB | H8 | 26.7° | 65.0° |
| C1 | CA1 | CB | H9 | 92.4° | 175.0° |
| CA1 | C1 | NZ | H23 | 0.3° | 0.0° |
| O1 | C1 | NZ | CE | 9.0° | 0.0° |
| O1 | C1 | CA1 | H7 | 176.0° | 119.9° |
| O1 | C1 | NZ | H23 | 171.0° | 180.0° |
| C1 | NZ | CE | H23 | 180.0° | 180.0° |
| C1 | NZ | CE | CD | 118.6° | 180.0° |
| NZ | C1 | CA1 | H7 | 4.7° | 60.0° |
| C1 | NZ | CE | H21 | 1.2° | 60.0° |
| C1 | NZ | CE | H22 | 121.6° | 60.0° |
| NZ | CE | CD | H21 | 119.8° | 120.0° |
| NZ | CE | CD | H22 | 119.8° | 119.9° |
| NZ | CE | CD | CG | 88.8° | 180.0° |
| NZ | CE | CD | H19 | 151.5° | 60.0° |
| NZ | CE | CD | H20 | 30.9° | 60.0° |
| NZ | CE | H21 | H22 | 120.6° | 119.9° |
| CE | CD | CG | CB1 | 55.6° | 180.0° |
| CE | CD | CG | H19 | 119.7° | 120.0° |
| CE | CD | CG | H20 | 119.8° | 120.0° |
| CE | CD | CG | H17 | 64.4° | 60.0° |
| CE | CD | CG | H18 | 175.6° | 60.0° |
| CE | CD | H19 | H20 | 120.7° | 120.0° |
| CD | CE | H21 | H22 | 120.6° | 120.0° |
| CD | CE | NZ | H23 | 61.5° | 0.0° |
| CG | CB1 | CA2 | H15 | 120.5° | 120.0° |
| CG | CB1 | CA2 | H16 | 120.6° | 120.0° |
| CB1 | CG | CD | H17 | 120.0° | 120.0° |
| CB1 | CG | CD | H18 | 120.0° | 120.0° |
| CG | CB1 | CA2 | N2 | 114.5° | 65.0° |
| CG | CB1 | CA2 | C2 | 13.0° | 175.0° |
| CG | CB1 | CA2 | H14 | 129.5° | 55.0° |
| CG | CB1 | H15 | H16 | 118.3° | 120.0° |
| CB1 | CG | H17 | H18 | 120.2° | 120.0° |
| CB1 | CG | CD | H19 | 64.1° | 60.0° |
| CB1 | CG | CD | H20 | 175.3° | 60.0° |
| CA2 | CB1 | CG | CD | 120.0° | 180.0° |
| CB1 | CA2 | N2 | C2 | 128.4° | 120.0° |
| CB1 | CA2 | N2 | H14 | 115.6° | 120.0° |
| CB1 | CA2 | C2 | H14 | 116.6° | 120.0° |
| CB1 | CA2 | C2 | O2 | 76.0° | 100.0° |
| CB1 | CA2 | C2 | OXT | 106.6° | 80.0° |
| CB1 | CA2 | N2 | H11 | 180.0° | 176.1° |
| CB1 | CA2 | N2 | H12 | 60.0° | 60.0° |
| CA2 | CB1 | H15 | H16 | 118.3° | 119.9° |
| CA2 | CB1 | CG | H17 | 120.1° | 60.0° |
| CA2 | CB1 | CG | H18 | 0.1° | 60.0° |
| CD | CG | CB1 | H15 | 119.4° | 60.0° |
| CD | CG | CB1 | H16 | 0.6° | 60.0° |
| CD | CG | H17 | H18 | 120.2° | 120.0° |
| CG | CD | H19 | H20 | 120.7° | 120.0° |
| CG | CD | CE | H21 | 31.0° | 60.0° |
| CG | CD | CE | H22 | 151.4° | 60.1° |
| N2 | CA2 | C2 | H14 | 116.4° | 120.1° |
| N2 | CA2 | C2 | O2 | 51.0° | 20.0° |
| N2 | CA2 | C2 | OXT | 126.4° | 160.0° |
| CA2 | N2 | H11 | H12 | 120.0° | 124.0° |
| N2 | CA2 | CB1 | H15 | 6.0° | 55.0° |
| N2 | CA2 | CB1 | H16 | 124.9° | 175.0° |
| CA2 | C2 | O2 | OXT | 177.3° | 180.0° |
| C2 | CA2 | N2 | H11 | 51.6° | 64.0° |
| C2 | CA2 | N2 | H12 | 68.4° | 60.0° |
| C2 | CA2 | CB1 | H15 | 133.5° | 65.0° |
| C2 | CA2 | CB1 | H16 | 107.6° | 55.0° |
| CA2 | C2 | OXT | H24 | 177.4° | 180.0° |
| O2 | C2 | CA2 | H14 | 167.5° | 140.0° |
| O2 | C2 | OXT | H24 | 0.0° | 0.0° |
| OXT | C2 | CA2 | H14 | 10.0° | 40.0° |
| H1 | N | CA | H4 | 60.2° | 60.0° |
| H1 | N | CA | H5 | 60.2° | 60.1° |
| H2 | N | CA | H4 | 59.9° | 63.9° |
| H2 | N | CA | H5 | 179.8° | 176.0° |
| H6 | N1 | CA1 | H7 | 141.8° | 145.0° |
| H7 | CA1 | CB | H8 | 95.1° | 55.0° |
| H7 | CA1 | CB | H9 | 145.8° | 65.0° |
| H8 | CB | OG | H10 | 59.6° | 60.0° |
| H9 | CB | OG | H10 | 59.5° | 60.1° |
| H11 | N2 | CA2 | H14 | 64.4° | 56.1° |
| H12 | N2 | CA2 | H14 | 175.6° | 180.0° |
| H14 | CA2 | CB1 | H15 | 110.0° | 175.0° |
| H14 | CA2 | CB1 | H16 | 8.9° | 65.0° |
| H15 | CB1 | CG | H17 | 0.5° | 180.0° |
| H15 | CB1 | CG | H18 | 120.6° | 60.0° |
| H16 | CB1 | CG | H17 | 119.4° | 60.0° |
| H16 | CB1 | CG | H18 | 120.5° | 180.0° |
| H17 | CG | CD | H19 | 175.9° | 180.0° |
| H17 | CG | CD | H20 | 55.4° | 60.0° |
| H18 | CG | CD | H19 | 55.8° | 60.0° |
| H18 | CG | CD | H20 | 64.7° | 180.0° |
| H19 | CD | CE | H21 | 88.7° | 180.0° |
| H19 | CD | CE | H22 | 31.7° | 60.0° |
| H20 | CD | CE | H21 | 150.7° | 60.0° |
| H20 | CD | CE | H22 | 88.9° | 179.9° |
| H21 | CE | NZ | H23 | 178.7° | 120.0° |
| H22 | CE | NZ | H23 | 58.3° | 120.0° |
