6WK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| SD | C4 | sing | 1.81Å | 1.82Å | |
| SD | SG | sing | 2.05Å | 2.05Å | |
| O4 | C2 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | S3 | sing | 1.81Å | 1.82Å | |
| SG | CB | sing | 1.81Å | 1.83Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.21Å | |
| 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 | |
| S3 | H8 | sing | 1.35Å | 1.30Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| O4 | H12 | sing | 0.97Å | 0.95Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| O3 | H14 | sing | 0.97Å | 0.95Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 18.87Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 109.6° | 109.5° |
| O3 | C3 | C2 | 110.6° | 109.5° |
| O3 | C3 | H13 | 108.2° | 109.5° |
| C3 | O3 | H14 | 109.5° | 114.0° |
| C4 | C3 | C2 | 114.4° | 109.4° |
| C3 | C4 | SD | 113.8° | 109.4° |
| C4 | C3 | H13 | 107.0° | 109.4° |
| C3 | C4 | H15 | 108.4° | 109.5° |
| C3 | C4 | H16 | 108.3° | 109.5° |
| C3 | C2 | O4 | 110.8° | 109.5° |
| C3 | C2 | C1 | 114.1° | 109.5° |
| C3 | C2 | H11 | 106.3° | 109.5° |
| C2 | C3 | H13 | 106.9° | 109.5° |
| C4 | SD | SG | 108.2° | 103.0° |
| SD | C4 | H15 | 108.4° | 109.5° |
| SD | C4 | H16 | 108.4° | 109.5° |
| SD | SG | CB | 104.1° | 103.0° |
| O4 | C2 | C1 | 111.4° | 109.5° |
| O4 | C2 | H11 | 107.4° | 109.5° |
| C2 | O4 | H12 | 109.5° | 114.0° |
| C2 | C1 | S3 | 120.4° | 109.5° |
| C2 | C1 | H9 | 106.6° | 109.4° |
| C2 | C1 | H10 | 106.7° | 109.4° |
| C1 | C2 | H11 | 106.4° | 109.5° |
| C1 | S3 | H8 | 102.0° | 103.0° |
| S3 | C1 | H9 | 106.7° | 109.5° |
| S3 | C1 | H10 | 106.7° | 109.5° |
| SG | CB | CA | 113.2° | 109.4° |
| SG | CB | H5 | 108.6° | 109.5° |
| SG | CB | H6 | 108.5° | 109.5° |
| CB | CA | N | 112.1° | 109.4° |
| CB | CA | C | 112.3° | 109.4° |
| CB | CA | H4 | 107.9° | 109.5° |
| CA | CB | H5 | 108.5° | 109.5° |
| CA | CB | H6 | 108.5° | 109.5° |
| N | CA | C | 107.6° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | H4 | 108.8° | 109.5° |
| CA | C | O | 120.0° | 120.0° |
| C | CA | H4 | 108.0° | 109.5° |
| CA | C | OXT | 147.5° | 120.0° |
| O | C | OXT | 60.4° | 120.0° |
| H1 | N | H2 | 109.5° | 110.9° |
| H5 | CB | H6 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.4° | 109.5° |
| H15 | C4 | H16 | 109.5° | 109.5° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C4 | C2 | 124.8° | 120.0° |
| O3 | C3 | C4 | H13 | 117.1° | 120.0° |
| O3 | C3 | C2 | H13 | 117.5° | 120.0° |
| O3 | C3 | C4 | SD | 107.4° | 65.0° |
| O3 | C3 | C2 | O4 | 33.9° | 65.0° |
| O3 | C3 | C2 | C1 | 92.9° | 55.0° |
| O3 | C3 | C2 | H11 | 150.2° | 175.0° |
| O3 | C3 | C4 | H15 | 131.9° | 175.0° |
| O3 | C3 | C4 | H16 | 13.2° | 55.0° |
| C4 | C3 | C2 | H13 | 118.2° | 119.9° |
| C3 | C4 | SD | H15 | 120.6° | 120.0° |
| C3 | C4 | SD | H16 | 120.6° | 120.0° |
| C3 | C4 | SD | SG | 106.9° | 70.0° |
| C4 | C3 | C2 | O4 | 90.4° | 55.0° |
| C4 | C3 | C2 | C1 | 142.9° | 175.0° |
| C4 | C3 | C2 | H11 | 25.9° | 64.9° |
| C4 | C3 | O3 | H14 | 180.0° | 60.0° |
| C3 | C4 | H15 | H16 | 118.0° | 120.0° |
| C2 | C3 | C4 | SD | 127.8° | 175.0° |
| C3 | C2 | O4 | C1 | 128.2° | 120.0° |
| C3 | C2 | O4 | H11 | 115.6° | 120.0° |
| C3 | C2 | C1 | H11 | 116.8° | 120.0° |
| C3 | C2 | C1 | S3 | 140.2° | 175.0° |
| C3 | C2 | C1 | H9 | 98.3° | 65.0° |
| C3 | C2 | C1 | H10 | 18.6° | 55.0° |
| C3 | C2 | O4 | H12 | 180.0° | 59.9° |
| C2 | C3 | O3 | H14 | 53.0° | 60.0° |
| C2 | C3 | C4 | H15 | 7.1° | 55.0° |
| C2 | C3 | C4 | H16 | 111.6° | 65.0° |
| C4 | SD | SG | CB | 35.3° | 85.0° |
| SD | C4 | C3 | H13 | 9.6° | 55.0° |
| SD | C4 | H15 | H16 | 118.1° | 120.0° |
| SD | SG | CB | CA | 80.5° | 70.0° |
| SD | SG | CB | H5 | 158.9° | 50.0° |
| SD | SG | CB | H6 | 40.1° | 170.0° |
| SG | SD | C4 | H15 | 13.7° | 50.0° |
| SG | SD | C4 | H16 | 132.5° | 170.0° |
| O4 | C2 | C1 | H11 | 116.8° | 120.0° |
| O4 | C2 | C1 | S3 | 13.8° | 65.0° |
| O4 | C2 | C1 | H9 | 135.3° | 55.0° |
| O4 | C2 | C1 | H10 | 107.8° | 175.0° |
| O4 | C2 | C3 | H13 | 151.4° | 175.0° |
| C2 | C1 | S3 | H9 | 121.5° | 119.9° |
| C2 | C1 | S3 | H10 | 121.6° | 120.0° |
| C2 | C1 | S3 | H8 | 180.0° | 180.0° |
| C2 | C1 | H9 | H10 | 115.0° | 120.0° |
| C1 | C2 | O4 | H12 | 51.8° | 60.0° |
| C1 | C2 | C3 | H13 | 24.6° | 65.0° |
| S3 | C1 | H9 | H10 | 115.0° | 120.1° |
| S3 | C1 | C2 | H11 | 103.0° | 55.0° |
| SG | CB | CA | H5 | 120.6° | 120.0° |
| SG | CB | CA | H6 | 120.6° | 120.0° |
| SG | CB | CA | N | 173.7° | 60.0° |
| SG | CB | CA | C | 52.4° | 180.0° |
| SG | CB | CA | H4 | 66.6° | 60.0° |
| SG | CB | H5 | H6 | 118.3° | 120.0° |
| CB | CA | N | C | 124.0° | 119.9° |
| CB | CA | N | H4 | 119.3° | 120.0° |
| CB | CA | C | H4 | 118.9° | 120.0° |
| CB | CA | C | O | 106.7° | 100.0° |
| CB | CA | N | H1 | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | H5 | H6 | 118.3° | 120.0° |
| CB | CA | C | OXT | 25.6° | 80.0° |
| N | CA | C | H4 | 117.2° | 120.0° |
| N | CA | C | O | 129.4° | 20.0° |
| CA | N | H1 | H2 | 120.0° | 123.9° |
| N | CA | CB | H5 | 53.1° | 60.0° |
| N | CA | CB | H6 | 65.8° | 180.0° |
| N | CA | C | OXT | 149.5° | 160.0° |
| CA | C | O | OXT | 142.4° | 180.0° |
| C | CA | N | H1 | 56.0° | 63.9° |
| C | CA | N | H2 | 64.0° | 60.0° |
| C | CA | CB | H5 | 68.2° | 60.0° |
| C | CA | CB | H6 | 173.0° | 60.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| O | C | CA | H4 | 12.2° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| H1 | N | CA | H4 | 60.7° | 56.1° |
| H2 | N | CA | H4 | 179.2° | 180.0° |
| H4 | CA | CB | H5 | 172.9° | NaN° |
| H4 | CA | CB | H6 | 54.0° | 59.9° |
| H4 | CA | C | OXT | 93.3° | 40.0° |
| H8 | S3 | C1 | H9 | 58.5° | 60.0° |
| H8 | S3 | C1 | H10 | 58.4° | 60.0° |
| H9 | C1 | C2 | H11 | 18.6° | 175.0° |
| H10 | C1 | C2 | H11 | 135.5° | 65.1° |
| H11 | C2 | O4 | H12 | 64.4° | 180.0° |
| H11 | C2 | C3 | H13 | 92.3° | 55.0° |
| H13 | C3 | O3 | H14 | 63.6° | 179.9° |
| H13 | C3 | C4 | H15 | 111.0° | 65.0° |
| H13 | C3 | C4 | H16 | 130.3° | 175.0° |
