2YJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | N3 | sing | 1.47Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| N1 | C4 | sing | 1.35Å | 1.33Å | |
| N1 | C3 | sing | 1.46Å | 1.45Å | |
| C4 | O | doub | 1.21Å | 1.22Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| N | C | sing | 1.47Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C9 | N2 | sing | 1.47Å | 1.45Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C | C10 | sing | 1.51Å | 1.51Å | |
| O2 | C10 | doub | 1.21Å | 1.23Å | |
| C10 | O1 | sing | 1.34Å | 1.33Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | H14 | sing | 1.01Å | 1.00Å | |
| N3 | H15 | sing | 1.01Å | 1.00Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| N2 | H25 | sing | 1.01Å | 1.00Å | |
| N2 | H26 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C5 | C6 | 108.9° | 109.5° |
| N3 | C5 | C4 | 108.6° | 109.4° |
| N3 | C5 | H13 | 110.2° | 109.4° |
| C5 | N3 | H14 | 109.5° | 111.0° |
| C5 | N3 | H15 | 109.5° | 111.1° |
| C6 | C5 | C4 | 110.8° | 109.5° |
| C5 | C6 | C7 | 113.5° | 109.5° |
| C6 | C5 | H13 | 109.0° | 109.5° |
| C5 | C6 | H17 | 108.5° | 109.5° |
| C5 | C6 | H18 | 108.5° | 109.5° |
| C5 | C4 | N1 | 117.8° | 120.0° |
| C5 | C4 | O | 119.9° | 120.0° |
| C4 | C5 | H13 | 109.4° | 109.5° |
| C8 | C7 | C6 | 111.2° | 109.5° |
| C7 | C8 | C9 | 112.9° | 109.5° |
| C8 | C7 | H19 | 109.0° | 109.5° |
| C8 | C7 | H20 | 109.0° | 109.5° |
| C7 | C8 | H21 | 108.6° | 109.5° |
| C7 | C8 | H22 | 108.6° | 109.5° |
| C7 | C6 | H17 | 108.5° | 109.5° |
| C7 | C6 | H18 | 108.4° | 109.5° |
| C6 | C7 | H19 | 109.0° | 109.5° |
| C6 | C7 | H20 | 109.0° | 109.5° |
| C8 | C9 | N2 | 110.8° | 109.5° |
| C9 | C8 | H21 | 108.6° | 109.5° |
| C9 | C8 | H22 | 108.6° | 109.5° |
| C8 | C9 | H23 | 109.1° | 109.5° |
| C8 | C9 | H24 | 109.1° | 109.4° |
| C4 | N1 | C3 | 121.6° | 120.0° |
| N1 | C4 | O | 122.2° | 120.0° |
| C4 | N1 | H12 | 119.2° | 120.0° |
| N1 | C3 | C2 | 116.7° | 109.5° |
| N1 | C3 | H10 | 107.6° | 109.5° |
| N1 | C3 | H11 | 107.6° | 109.5° |
| C3 | N1 | H12 | 119.2° | 120.0° |
| C3 | C2 | C1 | 105.8° | 109.5° |
| C3 | C2 | H8 | 110.4° | 109.5° |
| C3 | C2 | H9 | 110.4° | 109.5° |
| C2 | C3 | H10 | 107.6° | 109.5° |
| C2 | C3 | H11 | 107.6° | 109.4° |
| N | C | C1 | 111.1° | 109.5° |
| N | C | C10 | 111.4° | 109.5° |
| N | C | H2 | 109.6° | 109.5° |
| C | N | H3 | 109.5° | 111.0° |
| C | N | H4 | 109.5° | 111.0° |
| C2 | C1 | C | 115.5° | 109.5° |
| C2 | C1 | H6 | 107.9° | 109.4° |
| C2 | C1 | H7 | 107.9° | 109.5° |
| C1 | C2 | H8 | 110.4° | 109.5° |
| C1 | C2 | H9 | 110.4° | 109.5° |
| N2 | C9 | H23 | 109.1° | 109.5° |
| N2 | C9 | H24 | 109.1° | 109.5° |
| C9 | N2 | H25 | 109.5° | 110.9° |
| C9 | N2 | H26 | 109.5° | 111.0° |
| C1 | C | C10 | 107.4° | 109.5° |
| C1 | C | H2 | 108.5° | 109.5° |
| C | C1 | H6 | 107.9° | 109.5° |
| C | C1 | H7 | 107.9° | 109.5° |
| C | C10 | O2 | 123.0° | 120.0° |
| C | C10 | O1 | 117.9° | 120.0° |
| C10 | C | H2 | 108.7° | 109.4° |
| O2 | C10 | O1 | 119.0° | 120.0° |
| C10 | O1 | H1 | 109.5° | 117.0° |
| H3 | N | H4 | 109.5° | 111.0° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H8 | C2 | H9 | 109.5° | 109.4° |
| H10 | C3 | H11 | 109.5° | 109.5° |
| H14 | N3 | H15 | 109.5° | 111.0° |
| H17 | C6 | H18 | 109.5° | 109.5° |
| H19 | C7 | H20 | 109.5° | 109.5° |
| H21 | C8 | H22 | 109.5° | 109.4° |
| H23 | C9 | H24 | 109.5° | 109.5° |
| H25 | N2 | H26 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C5 | C6 | C4 | 119.3° | 120.0° |
| N3 | C5 | C6 | H13 | 120.3° | 120.0° |
| N3 | C5 | C4 | H13 | 120.3° | 119.9° |
| N3 | C5 | C6 | C7 | 159.9° | 65.0° |
| N3 | C5 | C4 | N1 | 126.1° | 160.0° |
| N3 | C5 | C4 | O | 55.7° | 20.1° |
| C5 | N3 | H14 | H15 | 120.0° | 124.0° |
| N3 | C5 | C6 | H17 | 79.5° | 175.0° |
| N3 | C5 | C6 | H18 | 39.3° | 55.0° |
| C6 | C5 | C4 | H13 | 120.2° | 120.0° |
| C5 | C6 | C7 | C8 | 160.1° | 180.0° |
| C5 | C6 | C7 | H17 | 120.6° | 120.0° |
| C5 | C6 | C7 | H18 | 120.6° | 120.0° |
| C6 | C5 | C4 | N1 | 114.5° | 80.0° |
| C6 | C5 | C4 | O | 63.8° | 100.0° |
| C6 | C5 | N3 | H14 | 180.0° | 63.9° |
| C6 | C5 | N3 | H15 | 60.0° | 60.0° |
| C5 | C6 | H17 | H18 | 118.2° | 120.0° |
| C5 | C6 | C7 | H19 | 79.6° | 60.0° |
| C5 | C6 | C7 | H20 | 39.9° | 60.0° |
| C4 | C5 | C6 | C7 | 80.8° | 175.0° |
| C5 | C4 | N1 | O | 178.2° | 179.9° |
| C5 | C4 | N1 | C3 | 170.8° | 180.0° |
| C5 | C4 | N1 | H12 | 9.2° | 0.1° |
| C4 | C5 | N3 | H14 | 59.3° | 176.0° |
| C4 | C5 | N3 | H15 | 179.3° | 60.1° |
| C4 | C5 | C6 | H17 | 39.8° | 55.0° |
| C4 | C5 | C6 | H18 | 158.6° | 65.0° |
| C8 | C7 | C6 | H19 | 120.3° | 120.0° |
| C8 | C7 | C6 | H20 | 120.2° | 120.0° |
| C7 | C8 | C9 | H21 | 120.5° | 120.0° |
| C7 | C8 | C9 | H22 | 120.5° | 120.0° |
| C7 | C8 | C9 | N2 | 125.2° | 180.0° |
| C8 | C7 | C6 | H17 | 79.3° | 60.0° |
| C8 | C7 | C6 | H18 | 39.5° | 60.0° |
| C8 | C7 | H19 | H20 | 119.2° | 120.0° |
| C7 | C8 | H21 | H22 | 118.4° | 120.0° |
| C7 | C8 | C9 | H23 | 114.6° | 60.0° |
| C7 | C8 | C9 | H24 | 5.0° | 60.0° |
| C6 | C7 | C8 | C9 | 75.5° | 180.0° |
| C7 | C6 | C5 | H13 | 39.6° | 55.0° |
| C7 | C6 | H17 | H18 | 118.1° | 120.0° |
| C6 | C7 | H19 | H20 | 119.2° | 120.0° |
| C6 | C7 | C8 | H21 | 45.0° | 60.0° |
| C6 | C7 | C8 | H22 | 164.0° | 60.0° |
| C8 | C9 | N2 | H23 | 120.2° | 120.0° |
| C8 | C9 | N2 | H24 | 120.2° | 119.9° |
| C9 | C8 | C7 | H19 | 44.8° | 60.0° |
| C9 | C8 | C7 | H20 | 164.3° | 60.0° |
| C9 | C8 | H21 | H22 | 118.4° | 120.0° |
| C8 | C9 | H23 | H24 | 119.4° | 120.0° |
| C8 | C9 | N2 | H25 | 180.0° | 180.0° |
| C8 | C9 | N2 | H26 | 60.0° | 56.1° |
| C4 | N1 | C3 | H12 | 180.0° | 179.9° |
| C4 | N1 | C3 | C2 | 90.2° | 180.0° |
| C4 | N1 | C3 | H10 | 30.8° | 60.0° |
| C4 | N1 | C3 | H11 | 148.8° | 60.0° |
| N1 | C4 | C5 | H13 | 5.7° | 40.1° |
| C3 | N1 | C4 | O | 7.4° | 0.0° |
| N1 | C3 | C2 | H10 | 121.0° | 120.0° |
| N1 | C3 | C2 | H11 | 121.0° | 120.0° |
| N1 | C3 | C2 | C1 | 172.0° | 180.0° |
| N1 | C3 | C2 | H8 | 52.6° | 60.0° |
| N1 | C3 | C2 | H9 | 68.6° | 60.0° |
| N1 | C3 | H10 | H11 | 116.7° | 120.0° |
| O | C4 | N1 | H12 | 172.6° | 180.0° |
| O | C4 | C5 | H13 | 176.0° | 140.0° |
| C3 | C2 | C1 | H8 | 119.4° | 120.0° |
| C3 | C2 | C1 | H9 | 119.4° | 120.0° |
| C3 | C2 | C1 | C | 177.0° | 180.0° |
| C3 | C2 | C1 | H6 | 56.1° | 60.0° |
| C3 | C2 | C1 | H7 | 62.1° | 60.0° |
| C3 | C2 | H8 | H9 | 121.7° | 120.0° |
| C2 | C3 | H10 | H11 | 116.7° | 120.0° |
| C2 | C3 | N1 | H12 | 89.8° | 0.0° |
| N | C | C1 | C2 | 61.3° | 65.0° |
| N | C | C1 | C10 | 122.1° | 120.0° |
| N | C | C1 | H2 | 120.5° | 120.0° |
| N | C | C10 | H2 | 120.8° | 119.9° |
| N | C | C10 | O2 | 40.9° | 20.1° |
| N | C | C10 | O1 | 139.2° | 159.7° |
| C | N | H3 | H4 | 120.0° | 123.9° |
| N | C | C1 | H6 | 177.8° | 55.0° |
| N | C | C1 | H7 | 59.6° | 175.0° |
| C2 | C1 | C | H6 | 120.9° | 120.0° |
| C2 | C1 | C | H7 | 120.9° | 120.0° |
| C2 | C1 | C | C10 | 176.6° | 175.0° |
| C2 | C1 | C | H2 | 59.3° | 55.0° |
| C2 | C1 | H6 | H7 | 117.3° | 120.0° |
| C1 | C2 | H8 | H9 | 121.7° | 120.0° |
| C1 | C2 | C3 | H10 | 67.0° | 60.0° |
| C1 | C2 | C3 | H11 | 50.9° | 60.0° |
| N2 | C9 | C8 | H21 | 4.7° | 60.0° |
| N2 | C9 | C8 | H22 | 114.3° | 60.0° |
| N2 | C9 | H23 | H24 | 119.4° | 120.0° |
| C9 | N2 | H25 | H26 | 120.0° | 123.9° |
| C1 | C | C10 | H2 | 117.3° | 120.0° |
| C1 | C | C10 | O2 | 81.0° | 100.0° |
| C1 | C | C10 | O1 | 98.8° | 80.3° |
| C1 | C | N | H3 | 180.0° | 60.0° |
| C1 | C | N | H4 | 60.0° | 63.9° |
| C | C1 | H6 | H7 | 117.2° | 120.0° |
| C | C1 | C2 | H8 | 63.6° | 60.0° |
| C | C1 | C2 | H9 | 57.6° | 60.0° |
| C | C10 | O2 | O1 | 179.8° | 179.8° |
| C | C10 | O1 | H1 | 179.8° | 179.7° |
| C10 | C | N | H3 | 60.3° | 60.0° |
| C10 | C | N | H4 | 59.7° | 176.0° |
| C10 | C | C1 | H6 | 55.8° | 65.0° |
| C10 | C | C1 | H7 | 62.5° | 55.0° |
| O2 | C10 | O1 | H1 | 0.0° | 0.0° |
| O2 | C10 | C | H2 | 161.8° | 140.0° |
| O1 | C10 | C | H2 | 18.4° | 39.7° |
| H2 | C | N | H3 | 60.0° | 180.0° |
| H2 | C | N | H4 | 180.0° | 56.1° |
| H2 | C | C1 | H6 | 61.6° | 175.0° |
| H2 | C | C1 | H7 | 179.8° | 65.0° |
| H6 | C1 | C2 | H8 | 175.5° | 180.0° |
| H6 | C1 | C2 | H9 | 63.3° | 60.1° |
| H7 | C1 | C2 | H8 | 57.3° | 60.0° |
| H7 | C1 | C2 | H9 | 178.5° | 180.0° |
| H8 | C2 | C3 | H10 | 173.6° | 180.0° |
| H8 | C2 | C3 | H11 | 68.5° | 60.0° |
| H9 | C2 | C3 | H10 | 52.4° | 60.1° |
| H9 | C2 | C3 | H11 | 170.3° | 180.0° |
| H10 | C3 | N1 | H12 | 149.2° | 120.1° |
| H11 | C3 | N1 | H12 | 31.2° | 119.9° |
| H13 | C5 | N3 | H14 | 60.5° | 56.1° |
| H13 | C5 | N3 | H15 | 59.5° | 180.0° |
| H13 | C5 | C6 | H17 | 160.2° | 65.0° |
| H13 | C5 | C6 | H18 | 80.9° | 175.0° |
| H17 | C6 | C7 | H19 | 41.0° | 180.0° |
| H17 | C6 | C7 | H20 | 160.5° | 60.0° |
| H18 | C6 | C7 | H19 | 159.8° | 60.0° |
| H18 | C6 | C7 | H20 | 80.7° | 180.0° |
| H19 | C7 | C8 | H21 | 165.3° | NaN° |
| H19 | C7 | C8 | H22 | 75.8° | 60.0° |
| H20 | C7 | C8 | H21 | 75.2° | 60.0° |
| H20 | C7 | C8 | H22 | 43.8° | 180.0° |
| H21 | C8 | C9 | H23 | 124.9° | 180.0° |
| H21 | C8 | C9 | H24 | 115.5° | 60.0° |
| H22 | C8 | C9 | H23 | 5.9° | 60.0° |
| H22 | C8 | C9 | H24 | 125.5° | 179.9° |
| H23 | C9 | N2 | H25 | 59.8° | 60.0° |
| H23 | C9 | N2 | H26 | 179.8° | 176.1° |
| H24 | C9 | N2 | H25 | 59.8° | 60.0° |
| H24 | C9 | N2 | H26 | 60.2° | 63.9° |
