8JB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| C | CA | sing | 1.51Å | 1.60Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | S | sing | 1.81Å | 1.81Å | |
| S | C3 | sing | 1.76Å | 1.76Å | |
| C3 | C4 | sing | 1.52Å | 1.52Å | |
| C3 | N2 | doub | 1.29Å | 1.31Å | |
| C4 | C5 | sing | 1.55Å | 1.52Å | |
| N2 | O3 | sing | 1.41Å | 1.42Å | |
| O3 | C5 | sing | 1.44Å | 1.47Å | |
| C5 | C2 | sing | 1.53Å | 1.53Å | |
| O1 | C1 | doub | 1.21Å | 1.31Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C2 | N3 | sing | 1.47Å | 1.46Å | |
| C1 | O2 | sing | 1.34Å | 1.22Å | |
| C | O4 | sing | 1.34Å | 1.30Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| N3 | H4 | sing | 1.01Å | 1.00Å | |
| N3 | H5 | sing | 1.01Å | 1.00Å | |
| CA | H7 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 1.01Å | 1.00Å | |
| N | H9 | sing | 1.01Å | 1.00Å | |
| CB | H11 | sing | 1.09Å | 1.10Å | |
| CB | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| O2 | H14 | sing | 0.97Å | 0.95Å | |
| O4 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 104.7° | 120.0° |
| O | C | O4 | 124.7° | 120.0° |
| N | CA | C | 109.3° | 109.5° |
| N | CA | CB | 112.4° | 109.5° |
| N | CA | H7 | 108.8° | 109.5° |
| CA | N | H8 | 109.5° | 111.0° |
| CA | N | H9 | 109.5° | 111.0° |
| C | CA | CB | 110.8° | 109.5° |
| CA | C | O4 | 128.2° | 120.0° |
| C | CA | H7 | 107.2° | 109.4° |
| CA | CB | S | 113.3° | 109.4° |
| CB | CA | H7 | 108.1° | 109.5° |
| CA | CB | H11 | 108.5° | 109.5° |
| CA | CB | H12 | 108.5° | 109.5° |
| CB | S | C3 | 103.1° | 100.0° |
| S | CB | H11 | 108.5° | 109.4° |
| S | CB | H12 | 108.5° | 109.5° |
| S | C3 | C4 | 124.3° | 125.9° |
| S | C3 | N2 | 125.3° | 125.9° |
| C4 | C3 | N2 | 110.3° | 108.3° |
| C3 | C4 | C5 | 103.5° | 102.6° |
| C3 | C4 | H1 | 110.9° | 110.8° |
| C3 | C4 | H2 | 110.9° | 110.9° |
| C3 | N2 | O3 | 111.4° | 112.9° |
| C4 | C5 | O3 | 104.2° | 101.7° |
| C4 | C5 | C2 | 113.6° | 111.0° |
| C5 | C4 | H1 | 110.9° | 110.9° |
| C5 | C4 | H2 | 110.9° | 110.8° |
| C4 | C5 | H3 | 109.5° | 111.0° |
| N2 | O3 | C5 | 109.2° | 107.6° |
| O3 | C5 | C2 | 109.8° | 110.9° |
| O3 | C5 | H3 | 110.3° | 111.0° |
| C5 | C2 | C1 | 109.9° | 109.5° |
| C5 | C2 | N3 | 109.9° | 109.5° |
| C2 | C5 | H3 | 109.3° | 110.9° |
| C5 | C2 | H13 | 108.3° | 109.5° |
| O1 | C1 | C2 | 112.5° | 120.0° |
| O1 | C1 | O2 | 124.2° | 120.0° |
| C1 | C2 | N3 | 111.1° | 109.5° |
| C2 | C1 | O2 | 123.2° | 120.0° |
| C1 | C2 | H13 | 108.3° | 109.5° |
| C2 | N3 | H4 | 109.5° | 111.0° |
| C2 | N3 | H5 | 109.5° | 111.0° |
| N3 | C2 | H13 | 109.4° | 109.4° |
| C1 | O2 | H14 | 109.5° | 117.1° |
| C | O4 | H15 | 109.5° | 117.0° |
| H1 | C4 | H2 | 109.5° | 110.7° |
| H4 | N3 | H5 | 109.5° | 111.0° |
| H8 | N | H9 | 109.5° | 111.0° |
| H11 | CB | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | N | 75.3° | 20.0° |
| O | C | CA | O4 | 162.9° | 179.9° |
| O | C | CA | CB | 160.3° | 100.0° |
| O | C | CA | H7 | 42.5° | 140.0° |
| O | C | O4 | H15 | 0.0° | 0.0° |
| N | CA | C | CB | 124.5° | 120.0° |
| N | CA | C | H7 | 117.8° | 120.0° |
| N | CA | CB | H7 | 120.1° | 120.0° |
| N | CA | CB | S | 169.6° | 60.0° |
| N | CA | C | O4 | 87.6° | 160.0° |
| CA | N | H8 | H9 | 120.0° | 124.0° |
| N | CA | CB | H11 | 49.1° | 60.0° |
| N | CA | CB | H12 | 69.8° | 180.0° |
| C | CA | CB | H7 | 117.2° | 120.0° |
| C | CA | CB | S | 67.7° | 180.0° |
| C | CA | N | H8 | 180.0° | 64.0° |
| C | CA | N | H9 | 60.0° | 60.0° |
| C | CA | CB | H11 | 171.8° | 60.0° |
| C | CA | CB | H12 | 52.9° | 60.0° |
| CA | C | O4 | H15 | 159.7° | 180.0° |
| CA | CB | S | H11 | 120.6° | 120.0° |
| CA | CB | S | H12 | 120.6° | 120.0° |
| CA | CB | S | C3 | 113.4° | 180.0° |
| CB | CA | C | O4 | 36.8° | 79.9° |
| CB | CA | N | H8 | 56.5° | 176.0° |
| CB | CA | N | H9 | 176.5° | 60.0° |
| CA | CB | H11 | H12 | 118.3° | 120.0° |
| CB | S | C3 | C4 | 174.9° | 180.0° |
| CB | S | C3 | N2 | 1.1° | 0.0° |
| S | CB | CA | H7 | 49.5° | 60.0° |
| S | CB | H11 | H12 | 118.3° | 120.0° |
| S | C3 | C4 | N2 | 176.5° | 180.0° |
| S | C3 | C4 | C5 | 166.0° | 164.6° |
| S | C3 | N2 | O3 | 171.3° | 179.6° |
| S | C3 | C4 | H1 | 74.9° | 77.0° |
| S | C3 | C4 | H2 | 47.0° | 46.3° |
| C3 | S | CB | H11 | 126.0° | 60.0° |
| C3 | S | CB | H12 | 7.2° | 60.0° |
| C3 | C4 | C5 | H1 | 119.0° | 118.3° |
| C3 | C4 | C5 | H2 | 119.0° | 118.4° |
| C4 | C3 | N2 | O3 | 5.2° | 0.4° |
| C3 | C4 | C5 | O3 | 11.3° | 24.3° |
| C3 | C4 | C5 | C2 | 108.1° | 142.3° |
| C3 | C4 | H1 | H2 | 122.8° | 123.5° |
| C3 | C4 | C5 | H3 | 129.3° | 93.9° |
| N2 | C3 | C4 | C5 | 10.5° | 15.4° |
| C3 | N2 | O3 | C5 | 2.7° | 17.6° |
| N2 | C3 | C4 | H1 | 108.5° | 102.9° |
| N2 | C3 | C4 | H2 | 129.6° | 133.7° |
| C4 | C5 | O3 | N2 | 9.1° | 25.5° |
| C4 | C5 | O3 | C2 | 122.0° | 118.1° |
| C4 | C5 | O3 | H3 | 117.5° | 118.2° |
| C4 | C5 | C2 | H3 | 122.7° | 123.9° |
| C4 | C5 | C2 | C1 | 84.0° | 173.8° |
| C4 | C5 | C2 | N3 | 153.5° | 66.2° |
| C5 | C4 | H1 | H2 | 122.8° | 123.4° |
| C4 | C5 | C2 | H13 | 34.1° | 53.7° |
| N2 | O3 | C5 | C2 | 112.9° | 143.5° |
| N2 | O3 | C5 | H3 | 126.6° | 92.7° |
| O3 | C5 | C2 | H3 | 121.1° | 123.8° |
| O3 | C5 | C2 | C1 | 32.2° | 61.5° |
| O3 | C5 | C2 | N3 | 90.3° | 178.5° |
| O3 | C5 | C4 | H1 | 107.7° | 94.0° |
| O3 | C5 | C4 | H2 | 130.4° | 142.6° |
| O3 | C5 | C2 | H13 | 150.3° | 58.6° |
| C5 | C2 | C1 | O1 | 90.8° | 100.0° |
| C5 | C2 | C1 | N3 | 121.7° | 120.0° |
| C5 | C2 | C1 | H13 | 118.1° | 120.1° |
| C5 | C2 | N3 | H13 | 118.8° | 120.0° |
| C5 | C2 | C1 | O2 | 87.8° | 80.0° |
| C2 | C5 | C4 | H1 | 132.8° | 24.0° |
| C2 | C5 | C4 | H2 | 10.9° | 99.3° |
| C5 | C2 | N3 | H4 | 180.0° | 60.0° |
| C5 | C2 | N3 | H5 | 60.0° | 64.0° |
| O1 | C1 | C2 | O2 | 178.6° | 180.0° |
| O1 | C1 | C2 | N3 | 147.4° | 20.0° |
| O1 | C1 | C2 | H13 | 27.3° | 140.0° |
| O1 | C1 | O2 | H14 | 0.0° | 0.0° |
| C1 | C2 | N3 | H13 | 119.5° | 120.0° |
| C1 | C2 | C5 | H3 | 153.3° | 62.3° |
| C1 | C2 | N3 | H4 | 58.3° | 60.0° |
| C1 | C2 | N3 | H5 | 61.7° | 176.0° |
| C2 | C1 | O2 | H14 | 178.5° | 180.0° |
| N3 | C2 | C1 | O2 | 33.9° | 160.0° |
| N3 | C2 | C5 | H3 | 30.8° | 57.6° |
| C2 | N3 | H4 | H5 | 120.0° | 123.9° |
| O2 | C1 | C2 | H13 | 154.1° | 40.0° |
| O4 | C | CA | H7 | 154.6° | 40.0° |
| H1 | C4 | C5 | H3 | 10.3° | 147.8° |
| H2 | C4 | C5 | H3 | 111.6° | 24.5° |
| H3 | C5 | C2 | H13 | 88.6° | 177.6° |
| H4 | N3 | C2 | H13 | 61.2° | 180.0° |
| H5 | N3 | C2 | H13 | 178.8° | 56.0° |
| H7 | CA | N | H8 | 63.2° | 56.0° |
| H7 | CA | N | H9 | 56.8° | 180.0° |
| H7 | CA | CB | H11 | 71.0° | 180.0° |
| H7 | CA | CB | H12 | 170.1° | 60.0° |
