U8S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| CB | CG | sing | 1.51Å | 1.49Å | |
| CG | CD2 | doub | 1.32Å | 1.34Å | |
| CG | ND1 | sing | 1.40Å | 1.33Å | |
| CD2 | NE2 | sing | 1.40Å | 1.33Å | |
| ND1 | CE1 | sing | 1.47Å | 1.40Å | |
| NE2 | CE1 | sing | 1.47Å | 1.45Å | |
| CE1 | O12 | sing | 1.43Å | 1.46Å | |
| C | OXT | sing | 1.34Å | 1.35Å | |
| CE1 | H1 | sing | 1.09Å | 1.10Å | |
| ND1 | H11 | sing | 0.97Å | 1.00Å | |
| NE2 | H4 | sing | 0.97Å | 1.00Å | |
| CD2 | H6 | sing | 1.08Å | 1.08Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| CB | H10 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| O12 | H15 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 110.1° | 109.4° |
| N | CA | CB | 110.5° | 109.4° |
| N | CA | HA | 107.1° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| C | CA | CB | 116.1° | 109.5° |
| CA | C | O | 119.3° | 120.0° |
| CA | C | OXT | 118.0° | 120.0° |
| C | CA | HA | 106.2° | 109.5° |
| CA | CB | CG | 113.0° | 109.5° |
| CA | CB | H9 | 108.6° | 109.4° |
| CA | CB | H10 | 108.6° | 109.5° |
| CB | CA | HA | 106.2° | 109.4° |
| O | C | OXT | 122.7° | 120.0° |
| CB | CG | CD2 | 129.6° | 124.4° |
| CB | CG | ND1 | 124.6° | 124.4° |
| CG | CB | H9 | 108.6° | 109.5° |
| CG | CB | H10 | 108.6° | 109.4° |
| CD2 | CG | ND1 | 105.8° | 111.1° |
| CG | CD2 | NE2 | 106.9° | 111.1° |
| CG | CD2 | H6 | 126.5° | 124.5° |
| CG | ND1 | CE1 | 112.5° | 106.6° |
| CG | ND1 | H11 | 108.7° | 126.7° |
| CD2 | NE2 | CE1 | 110.7° | 106.7° |
| CD2 | NE2 | H4 | 109.2° | 126.7° |
| NE2 | CD2 | H6 | 126.5° | 124.4° |
| ND1 | CE1 | NE2 | 94.4° | 104.5° |
| ND1 | CE1 | O12 | 125.5° | 110.5° |
| ND1 | CE1 | H1 | 107.6° | 110.4° |
| CE1 | ND1 | H11 | 108.7° | 126.6° |
| NE2 | CE1 | O12 | 114.2° | 110.4° |
| NE2 | CE1 | H1 | 106.9° | 110.5° |
| CE1 | NE2 | H4 | 109.2° | 126.7° |
| O12 | CE1 | H1 | 106.7° | 110.4° |
| CE1 | O12 | H15 | 109.5° | 114.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H9 | CB | H10 | 109.5° | 109.5° |
| H | N | H2 | 109.4° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | CB | 126.5° | 120.0° |
| N | CA | C | HA | 115.7° | 120.0° |
| N | CA | CB | HA | 115.9° | 120.0° |
| N | CA | C | O | 88.1° | 20.0° |
| N | CA | CB | CG | 152.2° | 65.0° |
| N | CA | C | OXT | 92.0° | 160.0° |
| N | CA | CB | H9 | 31.7° | 175.0° |
| N | CA | CB | H10 | 87.4° | 55.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| C | CA | CB | HA | 117.8° | 120.0° |
| CA | C | O | OXT | 179.9° | 180.0° |
| C | CA | CB | CG | 81.5° | 175.0° |
| C | CA | CB | H9 | 158.0° | 55.0° |
| C | CA | CB | H10 | 39.0° | 65.0° |
| C | CA | N | H | 180.0° | 59.9° |
| C | CA | N | H2 | 60.0° | 176.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| CB | CA | C | O | 145.4° | 100.0° |
| CA | CB | CG | H9 | 120.5° | 120.0° |
| CA | CB | CG | H10 | 120.5° | 120.0° |
| CA | CB | CG | CD2 | 84.8° | 95.0° |
| CA | CB | CG | ND1 | 91.6° | 85.0° |
| CB | CA | C | OXT | 34.5° | 80.0° |
| CA | CB | H9 | H10 | 118.4° | 120.0° |
| CB | CA | N | H | 50.4° | 60.1° |
| CB | CA | N | H2 | 170.4° | 64.0° |
| O | C | CA | HA | 27.6° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CB | CG | CD2 | ND1 | 176.9° | 180.0° |
| CB | CG | CD2 | NE2 | 179.2° | 179.9° |
| CB | CG | ND1 | CE1 | 160.3° | 179.9° |
| CB | CG | ND1 | H11 | 39.8° | 0.0° |
| CB | CG | CD2 | H6 | 0.8° | 0.0° |
| CG | CB | H9 | H10 | 118.4° | 120.0° |
| CG | CB | CA | HA | 36.3° | 55.0° |
| CG | CD2 | NE2 | H6 | 180.0° | 180.0° |
| CD2 | CG | ND1 | CE1 | 22.6° | 0.1° |
| CG | CD2 | NE2 | CE1 | 17.5° | 0.0° |
| CD2 | CG | ND1 | H11 | 143.0° | 180.0° |
| CG | CD2 | NE2 | H4 | 102.6° | 179.9° |
| CD2 | CG | CB | H9 | 35.8° | 145.0° |
| CD2 | CG | CB | H10 | 154.7° | 25.0° |
| ND1 | CG | CD2 | NE2 | 2.3° | 0.1° |
| CG | ND1 | CE1 | H11 | 120.5° | 179.9° |
| CG | ND1 | CE1 | NE2 | 30.0° | 0.1° |
| CG | ND1 | CE1 | O12 | 154.1° | 118.7° |
| CG | ND1 | CE1 | H1 | 79.3° | 118.9° |
| ND1 | CG | CD2 | H6 | 177.7° | 180.0° |
| ND1 | CG | CB | H9 | 147.8° | 35.0° |
| ND1 | CG | CB | H10 | 28.9° | 155.0° |
| CD2 | NE2 | CE1 | ND1 | 28.0° | 0.0° |
| CD2 | NE2 | CE1 | H4 | 120.2° | 179.9° |
| CD2 | NE2 | CE1 | O12 | 160.3° | 118.8° |
| CD2 | NE2 | CE1 | H1 | 81.9° | 118.8° |
| ND1 | CE1 | NE2 | O12 | 132.3° | 118.8° |
| ND1 | CE1 | NE2 | H1 | 109.9° | 118.7° |
| ND1 | CE1 | O12 | H1 | 127.0° | 122.4° |
| ND1 | CE1 | NE2 | H4 | 92.2° | 179.9° |
| ND1 | CE1 | O12 | H15 | 180.0° | 178.3° |
| NE2 | CE1 | O12 | H1 | 117.9° | 122.5° |
| NE2 | CE1 | ND1 | H11 | 150.5° | 180.0° |
| CE1 | NE2 | CD2 | H6 | 162.5° | 180.0° |
| NE2 | CE1 | O12 | H15 | 64.9° | 63.2° |
| O12 | CE1 | ND1 | H11 | 85.4° | 61.2° |
| O12 | CE1 | NE2 | H4 | 40.1° | 61.3° |
| OXT | C | CA | HA | 152.3° | 40.0° |
| H1 | CE1 | ND1 | H11 | 41.2° | 61.2° |
| H1 | CE1 | NE2 | H4 | 157.9° | 61.1° |
| H1 | CE1 | O12 | H15 | 53.0° | 59.3° |
| H4 | NE2 | CD2 | H6 | 77.3° | 0.1° |
| H9 | CB | CA | HA | 84.2° | 65.0° |
| H10 | CB | CA | HA | 156.8° | 175.0° |
| HA | CA | N | H | 64.9° | 180.0° |
| HA | CA | N | H2 | 55.1° | 56.0° |
