8YR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD2 | CG2 | sing | 1.55Å | 1.51Å | |
| CD2 | OD1 | sing | 1.45Å | 1.49Å | |
| CG2 | CB | sing | 1.55Å | 1.49Å | |
| OD1 | CG1 | sing | 1.44Å | 1.47Å | |
| CG1 | CB | sing | 1.54Å | 1.50Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| O | C | doub | 1.21Å | 1.21Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.42Å | |
| CA | H8 | sing | 1.09Å | 1.10Å | |
| N | H9 | sing | 1.01Å | 1.00Å | |
| CB | H10 | sing | 1.09Å | 1.10Å | |
| CG2 | H12 | sing | 1.09Å | 1.10Å | |
| CG2 | H13 | sing | 1.09Å | 1.10Å | |
| CG1 | H16 | sing | 1.09Å | 1.10Å | |
| CG1 | H17 | sing | 1.09Å | 1.10Å | |
| CD2 | H20 | sing | 1.09Å | 1.10Å | |
| CD2 | H21 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.48Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG2 | CD2 | OD1 | 105.6° | 104.8° |
| CD2 | CG2 | CB | 103.6° | 104.1° |
| CD2 | CG2 | H12 | 110.9° | 110.5° |
| CD2 | CG2 | H13 | 110.9° | 110.7° |
| CG2 | CD2 | H20 | 110.4° | 110.4° |
| CG2 | CD2 | H21 | 110.4° | 110.3° |
| CD2 | OD1 | CG1 | 101.5° | 105.3° |
| OD1 | CD2 | H20 | 110.4° | 110.4° |
| OD1 | CD2 | H21 | 110.4° | 110.4° |
| CG2 | CB | CG1 | 107.2° | 104.2° |
| CG2 | CB | CA | 108.8° | 110.5° |
| CG2 | CB | H10 | 111.2° | 110.5° |
| CB | CG2 | H12 | 110.9° | 110.5° |
| CB | CG2 | H13 | 110.9° | 110.5° |
| OD1 | CG1 | CB | 101.4° | 104.8° |
| OD1 | CG1 | H16 | 111.4° | 110.4° |
| OD1 | CG1 | H17 | 111.4° | 110.5° |
| CG1 | CB | CA | 107.7° | 110.6° |
| CG1 | CB | H10 | 111.1° | 110.5° |
| CB | CG1 | H16 | 111.4° | 110.3° |
| CB | CG1 | H17 | 111.5° | 110.4° |
| CB | CA | C | 111.2° | 109.5° |
| CB | CA | N | 113.5° | 109.4° |
| CB | CA | H8 | 109.6° | 109.5° |
| CA | CB | H10 | 110.7° | 110.4° |
| O | C | CA | 121.8° | 120.0° |
| O | C | OXT | 121.0° | 120.0° |
| C | CA | N | 101.7° | 109.5° |
| C | CA | H8 | 109.6° | 109.5° |
| CA | C | OXT | 117.1° | 120.0° |
| N | CA | H8 | 111.0° | 109.4° |
| CA | N | H9 | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| H9 | N | H2 | 109.5° | 110.9° |
| H12 | CG2 | H13 | 109.5° | 110.5° |
| H16 | CG1 | H17 | 109.5° | 110.3° |
| H20 | CD2 | H21 | 109.5° | 110.4° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG2 | CD2 | OD1 | H20 | 119.4° | 118.8° |
| CG2 | CD2 | OD1 | H21 | 119.4° | 118.8° |
| CD2 | CG2 | CB | H12 | 119.0° | 118.6° |
| CD2 | CG2 | CB | H13 | 119.1° | 118.8° |
| CG2 | CD2 | OD1 | CG1 | 39.8° | 40.4° |
| CD2 | CG2 | CB | CG1 | 10.3° | 0.1° |
| CD2 | CG2 | CB | CA | 105.9° | 118.7° |
| CD2 | CG2 | CB | H10 | 131.9° | 118.8° |
| CD2 | CG2 | H12 | H13 | 122.7° | 122.7° |
| CG2 | CD2 | H20 | H21 | 121.8° | 122.3° |
| OD1 | CD2 | CG2 | CB | 18.0° | 23.9° |
| CD2 | OD1 | CG1 | CB | 44.9° | 40.4° |
| OD1 | CD2 | CG2 | H12 | 101.0° | 94.7° |
| OD1 | CD2 | CG2 | H13 | 137.1° | 142.7° |
| CD2 | OD1 | CG1 | H16 | 73.8° | 78.4° |
| CD2 | OD1 | CG1 | H17 | 163.6° | 159.3° |
| OD1 | CD2 | H20 | H21 | 121.8° | 122.4° |
| CG2 | CB | CG1 | OD1 | 34.8° | 23.9° |
| CG2 | CB | CG1 | CA | 116.9° | 118.7° |
| CG2 | CB | CG1 | H10 | 121.7° | 118.7° |
| CG2 | CB | CA | H10 | 122.5° | 122.5° |
| CG2 | CB | CA | C | 59.5° | 178.1° |
| CG2 | CB | CA | N | 173.4° | 58.1° |
| CG2 | CB | CA | H8 | 61.9° | 61.9° |
| CB | CG2 | H12 | H13 | 122.7° | 122.6° |
| CG2 | CB | CG1 | H16 | 83.9° | 95.0° |
| CG2 | CB | CG1 | H17 | 153.5° | 142.9° |
| CB | CG2 | CD2 | H20 | 101.4° | 142.8° |
| CB | CG2 | CD2 | H21 | 137.4° | 94.9° |
| OD1 | CG1 | CB | H16 | 118.7° | 118.9° |
| OD1 | CG1 | CB | H17 | 118.7° | 119.0° |
| OD1 | CG1 | CB | CA | 82.1° | 142.6° |
| OD1 | CG1 | CB | H10 | 156.5° | 94.8° |
| OD1 | CG1 | H16 | H17 | 123.7° | 122.4° |
| CG1 | OD1 | CD2 | H20 | 79.6° | 159.2° |
| CG1 | OD1 | CD2 | H21 | 159.2° | 78.4° |
| CG1 | CB | CA | H10 | 121.7° | 122.7° |
| CG1 | CB | CA | C | 175.3° | 63.3° |
| CG1 | CB | CA | N | 70.8° | 56.7° |
| CG1 | CB | CA | H8 | 54.0° | 176.7° |
| CG1 | CB | CG2 | H12 | 129.3° | 118.5° |
| CG1 | CB | CG2 | H13 | 108.8° | 118.9° |
| CB | CG1 | H16 | H17 | 123.8° | 122.2° |
| CB | CA | C | O | 18.1° | 100.0° |
| CB | CA | C | N | 121.2° | 120.0° |
| CB | CA | C | H8 | 121.3° | 120.0° |
| CB | CA | N | H8 | 123.9° | 120.0° |
| CB | CA | N | H9 | 180.0° | 176.1° |
| CA | CB | CG2 | H12 | 13.1° | 122.7° |
| CA | CB | CG2 | H13 | 135.0° | 0.1° |
| CA | CB | CG1 | H16 | 159.2° | 23.8° |
| CA | CB | CG1 | H17 | 36.6° | 98.4° |
| CB | CA | C | OXT | 164.2° | 80.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| O | C | CA | OXT | 177.6° | 179.9° |
| O | C | CA | N | 103.0° | 20.0° |
| O | C | CA | H8 | 139.4° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | N | H8 | 116.5° | 120.0° |
| C | CA | N | H9 | 60.5° | 63.9° |
| C | CA | CB | H10 | 63.0° | 59.3° |
| CA | C | OXT | HXT | 177.7° | 180.0° |
| C | CA | N | H2 | 59.5° | 60.0° |
| CA | N | H9 | H2 | 120.0° | 123.9° |
| N | CA | CB | H10 | 50.9° | 179.4° |
| N | CA | C | OXT | 74.6° | 160.0° |
| H8 | CA | N | H9 | 56.0° | 56.1° |
| H8 | CA | CB | H10 | 175.6° | 60.7° |
| H8 | CA | C | OXT | 43.0° | 40.0° |
| H8 | CA | N | H2 | 176.0° | 180.0° |
| H10 | CB | CG2 | H12 | 109.0° | 0.2° |
| H10 | CB | CG2 | H13 | 12.9° | 122.4° |
| H10 | CB | CG1 | H16 | 37.9° | 146.4° |
| H10 | CB | CG1 | H17 | 84.8° | 24.2° |
| H12 | CG2 | CD2 | H20 | 139.6° | 24.2° |
| H12 | CG2 | CD2 | H21 | 18.4° | 146.5° |
| H13 | CG2 | CD2 | H20 | 17.7° | 98.4° |
| H13 | CG2 | CD2 | H21 | 103.5° | 23.9° |
