0QL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | SD | sing | 1.81Å | 1.78Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| SD | SG | sing | 2.05Å | 1.97Å | |
| N3 | C2 | sing | 1.47Å | 1.47Å | |
| SG | CB | sing | 1.81Å | 1.73Å | |
| N | CA | sing | 1.47Å | 1.44Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | C | sing | 1.51Å | 1.49Å | |
| C | O | doub | 1.21Å | 1.27Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| N3 | H11 | sing | 1.01Å | 1.00Å | |
| N3 | H12 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SD | C1 | C2 | 110.5° | 109.5° |
| C1 | SD | SG | 111.1° | 103.0° |
| SD | C1 | H7 | 109.2° | 109.4° |
| SD | C1 | H8 | 109.2° | 109.5° |
| C1 | C2 | N3 | 108.5° | 109.5° |
| C2 | C1 | H7 | 109.2° | 109.5° |
| C2 | C1 | H8 | 109.2° | 109.5° |
| C1 | C2 | H9 | 109.7° | 109.5° |
| C1 | C2 | H10 | 109.7° | 109.5° |
| SD | SG | CB | 126.2° | 103.0° |
| N3 | C2 | H9 | 109.7° | 109.5° |
| N3 | C2 | H10 | 109.7° | 109.5° |
| C2 | N3 | H11 | 109.5° | 111.0° |
| C2 | N3 | H12 | 109.5° | 111.0° |
| SG | CB | CA | 114.5° | 109.5° |
| SG | CB | H5 | 108.2° | 109.5° |
| SG | CB | H6 | 108.2° | 109.5° |
| N | CA | CB | 102.0° | 109.5° |
| N | CA | C | 104.0° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | H4 | 117.2° | 109.5° |
| CB | CA | C | 100.1° | 109.5° |
| CB | CA | H4 | 114.9° | 109.4° |
| CA | CB | H5 | 108.2° | 109.4° |
| CA | CB | H6 | 108.2° | 109.5° |
| CA | C | O | 119.2° | 120.0° |
| CA | C | OXT | 118.4° | 120.0° |
| C | CA | H4 | 116.2° | 109.5° |
| O | C | OXT | 122.4° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H1 | N | H2 | 109.4° | 111.0° |
| H5 | CB | H6 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.5° | 109.4° |
| H11 | N3 | H12 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SD | C1 | C2 | H7 | 120.2° | 120.0° |
| SD | C1 | C2 | H8 | 120.2° | 120.0° |
| SD | C1 | C2 | N3 | 174.3° | 180.0° |
| C1 | SD | SG | CB | 13.2° | 85.0° |
| SD | C1 | H7 | H8 | 119.5° | 120.0° |
| SD | C1 | C2 | H9 | 65.8° | 60.0° |
| SD | C1 | C2 | H10 | 54.5° | 60.0° |
| C2 | C1 | SD | SG | 74.1° | 70.0° |
| C1 | C2 | N3 | H9 | 119.8° | 120.0° |
| C1 | C2 | N3 | H10 | 119.9° | 120.0° |
| C2 | C1 | H7 | H8 | 119.5° | 120.0° |
| C1 | C2 | H9 | H10 | 120.5° | 120.0° |
| C1 | C2 | N3 | H11 | 180.0° | 56.0° |
| C1 | C2 | N3 | H12 | 60.0° | 180.0° |
| SD | SG | CB | CA | 89.3° | 70.0° |
| SD | SG | CB | H5 | 150.0° | 49.9° |
| SD | SG | CB | H6 | 31.5° | 170.0° |
| SG | SD | C1 | H7 | 165.8° | 170.0° |
| SG | SD | C1 | H8 | 46.1° | 50.0° |
| N3 | C2 | C1 | H7 | 54.1° | 60.0° |
| N3 | C2 | C1 | H8 | 65.5° | 60.0° |
| N3 | C2 | H9 | H10 | 120.4° | 120.0° |
| C2 | N3 | H11 | H12 | 120.0° | 124.0° |
| SG | CB | CA | N | 121.0° | 59.9° |
| SG | CB | CA | H5 | 120.8° | 120.0° |
| SG | CB | CA | H6 | 120.7° | 120.1° |
| SG | CB | CA | C | 132.2° | 180.0° |
| SG | CB | CA | H4 | 6.9° | 60.0° |
| SG | CB | H5 | H6 | 117.7° | 120.1° |
| N | CA | CB | C | 106.8° | 120.0° |
| N | CA | CB | H4 | 127.9° | 120.0° |
| N | CA | C | H4 | 130.4° | 120.0° |
| N | CA | C | O | 55.8° | 20.0° |
| N | CA | C | OXT | 122.6° | 160.0° |
| CA | N | H1 | H2 | 120.0° | 123.9° |
| N | CA | CB | H5 | 118.2° | 60.0° |
| N | CA | CB | H6 | 0.3° | 180.0° |
| CB | CA | C | H4 | 124.4° | 119.9° |
| CB | CA | C | O | 49.4° | 100.0° |
| CB | CA | C | OXT | 132.2° | 80.0° |
| CB | CA | N | H1 | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.1° |
| CA | CB | H5 | H6 | 117.7° | 119.9° |
| CA | C | O | OXT | 178.3° | 180.0° |
| C | CA | N | H1 | 76.2° | 63.9° |
| C | CA | N | H2 | 43.8° | 60.0° |
| C | CA | CB | H5 | 11.4° | 60.0° |
| C | CA | CB | H6 | 107.1° | 60.0° |
| CA | C | OXT | HXT | 178.3° | 180.0° |
| O | C | CA | H4 | 173.8° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | H4 | 7.8° | 40.0° |
| H1 | N | CA | H4 | 53.6° | 56.1° |
| H2 | N | CA | H4 | 173.6° | 180.0° |
| H4 | CA | CB | H5 | 113.9° | 180.0° |
| H4 | CA | CB | H6 | 127.6° | 60.0° |
| H7 | C1 | C2 | H9 | 174.0° | 180.0° |
| H7 | C1 | C2 | H10 | 65.7° | 60.0° |
| H8 | C1 | C2 | H9 | 54.3° | 60.0° |
| H8 | C1 | C2 | H10 | 174.7° | 180.0° |
| H9 | C2 | N3 | H11 | 60.2° | 64.0° |
| H9 | C2 | N3 | H12 | 179.8° | 60.0° |
| H10 | C2 | N3 | H11 | 60.1° | 176.0° |
| H10 | C2 | N3 | H12 | 59.9° | 60.0° |
