5D8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C13 | doub | 1.22Å | 1.22Å | |
| C11 | S1 | sing | 1.71Å | 1.73Å | Aromatic |
| C11 | C12 | doub | 1.35Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.47Å | 1.48Å | |
| C13 | O15 | sing | 1.35Å | 1.46Å | |
| S1 | C8 | sing | 1.76Å | 1.72Å | Aromatic |
| C12 | N2 | sing | 1.33Å | 1.37Å | Aromatic |
| C9 | O15 | sing | 1.45Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| N2 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | C3 | sing | 1.48Å | 1.47Å | |
| N1 | C3 | sing | 1.35Å | 1.33Å | Aromatic |
| N1 | C6 | doub | 1.31Å | 1.35Å | Aromatic |
| C3 | C5 | doub | 1.36Å | 1.47Å | Aromatic |
| C1 | C2 | doub | 1.35Å | 1.40Å | Aromatic |
| C1 | S5 | sing | 1.76Å | 1.73Å | Aromatic |
| C6 | C2 | sing | 1.48Å | 1.48Å | |
| C6 | O9 | sing | 1.34Å | 1.38Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.51Å | |
| C5 | O9 | sing | 1.35Å | 1.37Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
| S5 | C4 | sing | 1.71Å | 1.75Å | Aromatic |
| NH2 | CZ | doub | 1.30Å | 1.28Å | |
| NH1 | CZ | sing | 1.38Å | 1.27Å | |
| N3 | C4 | doub | 1.29Å | 1.35Å | Aromatic |
| C4 | CA | sing | 1.51Å | 1.48Å | |
| CZ | NE | sing | 1.37Å | 1.28Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| NE | CD | sing | 1.46Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| CA | H6 | sing | 1.09Å | 1.10Å | |
| N | H7 | sing | 1.01Å | 1.00Å | |
| N | H8 | sing | 1.01Å | 1.00Å | |
| CB | H10 | sing | 1.09Å | 1.10Å | |
| CB | H11 | sing | 1.09Å | 1.10Å | |
| CG | H12 | sing | 1.09Å | 1.10Å | |
| CG | H13 | sing | 1.09Å | 1.10Å | |
| CD | H14 | sing | 1.09Å | 1.10Å | |
| CD | H15 | sing | 1.09Å | 1.10Å | |
| NE | H16 | sing | 0.97Å | 1.00Å | |
| NH1 | H17 | sing | 0.97Å | 1.00Å | |
| NH1 | H18 | sing | 0.97Å | 1.00Å | |
| NH2 | H19 | sing | 0.97Å | 1.00Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C13 | C12 | 119.8° | 120.0° |
| O14 | C13 | O15 | 121.6° | 120.0° |
| S1 | C11 | C12 | 107.8° | 109.1° |
| C11 | S1 | C8 | 91.3° | 90.6° |
| S1 | C11 | H2 | 126.1° | 125.4° |
| C11 | C12 | C13 | 121.9° | 122.4° |
| C11 | C12 | N2 | 116.2° | 115.1° |
| C12 | C11 | H2 | 126.1° | 125.4° |
| C12 | C13 | O15 | 118.5° | 120.0° |
| C13 | C12 | N2 | 121.9° | 122.4° |
| C13 | O15 | C9 | 120.7° | 117.0° |
| S1 | C8 | N2 | 113.7° | 109.4° |
| S1 | C8 | C3 | 121.7° | 125.3° |
| C12 | N2 | C8 | 110.9° | 115.7° |
| O15 | C9 | C10 | 109.4° | 109.5° |
| O15 | C9 | H20 | 109.5° | 109.4° |
| O15 | C9 | H21 | 109.5° | 109.5° |
| C10 | C9 | H20 | 109.5° | 109.5° |
| C10 | C9 | H21 | 109.5° | 109.5° |
| C9 | C10 | H22 | 109.5° | 109.5° |
| C9 | C10 | H23 | 109.5° | 109.5° |
| C9 | C10 | H24 | 109.5° | 109.5° |
| N2 | C8 | C3 | 124.0° | 125.3° |
| C8 | C3 | N1 | 122.5° | 126.3° |
| C8 | C3 | C5 | 124.6° | 126.3° |
| C3 | N1 | C6 | 100.8° | 108.5° |
| N1 | C3 | C5 | 112.3° | 107.5° |
| N1 | C6 | C2 | 120.8° | 125.6° |
| N1 | C6 | O9 | 118.1° | 108.9° |
| C3 | C5 | C7 | 136.2° | 126.4° |
| C3 | C5 | O9 | 105.5° | 107.1° |
| C2 | C1 | S5 | 102.0° | 107.9° |
| C1 | C2 | C6 | 122.8° | 123.0° |
| C1 | C2 | N3 | 121.9° | 113.9° |
| C2 | C1 | H1 | 129.0° | 126.1° |
| C1 | S5 | C4 | 95.8° | 90.5° |
| S5 | C1 | H1 | 129.0° | 126.0° |
| C2 | C6 | O9 | 120.7° | 125.5° |
| C6 | C2 | N3 | 114.9° | 123.0° |
| C6 | O9 | C5 | 103.0° | 108.0° |
| C7 | C5 | O9 | 118.2° | 126.5° |
| C5 | C7 | H3 | 109.5° | 109.5° |
| C5 | C7 | H4 | 109.5° | 109.5° |
| C5 | C7 | H5 | 109.5° | 109.5° |
| C2 | N3 | C4 | 110.7° | 117.1° |
| S5 | C4 | N3 | 109.5° | 110.6° |
| S5 | C4 | CA | 120.2° | 124.8° |
| NH2 | CZ | NH1 | 119.0° | 120.0° |
| NH2 | CZ | NE | 121.1° | 120.0° |
| CZ | NH2 | H19 | 112.0° | 119.9° |
| NH1 | CZ | NE | 119.9° | 120.0° |
| CZ | NH1 | H17 | 120.0° | 120.0° |
| CZ | NH1 | H18 | 120.0° | 119.9° |
| N3 | C4 | CA | 130.3° | 124.7° |
| C4 | CA | CB | 112.3° | 109.5° |
| C4 | CA | N | 108.8° | 109.4° |
| C4 | CA | H6 | 108.5° | 109.5° |
| CZ | NE | CD | 127.4° | 120.0° |
| CZ | NE | H16 | 116.3° | 120.0° |
| CB | CG | CD | 108.5° | 109.4° |
| CG | CB | CA | 114.6° | 109.4° |
| CG | CB | H10 | 108.2° | 109.5° |
| CG | CB | H11 | 108.2° | 109.5° |
| CB | CG | H12 | 109.7° | 109.4° |
| CB | CG | H13 | 109.7° | 109.5° |
| CG | CD | NE | 107.5° | 109.5° |
| CD | CG | H12 | 109.7° | 109.5° |
| CD | CG | H13 | 109.7° | 109.5° |
| CG | CD | H14 | 110.0° | 109.5° |
| CG | CD | H15 | 110.0° | 109.5° |
| NE | CD | H14 | 110.0° | 109.5° |
| NE | CD | H15 | 110.0° | 109.4° |
| CD | NE | H16 | 116.3° | 120.0° |
| CB | CA | N | 110.4° | 109.5° |
| CB | CA | H6 | 107.9° | 109.5° |
| CA | CB | H10 | 108.2° | 109.5° |
| CA | CB | H11 | 108.2° | 109.5° |
| N | CA | H6 | 108.8° | 109.5° |
| CA | N | H7 | 109.5° | 111.0° |
| CA | N | H8 | 109.5° | 110.9° |
| H3 | C7 | H4 | 109.5° | 109.4° |
| H3 | C7 | H5 | 109.4° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.4° |
| H7 | N | H8 | 109.5° | 111.0° |
| H10 | CB | H11 | 109.5° | 109.4° |
| H12 | CG | H13 | 109.5° | 109.5° |
| H14 | CD | H15 | 109.5° | 109.4° |
| H17 | NH1 | H18 | 120.0° | 120.1° |
| H20 | C9 | H21 | 109.5° | 109.5° |
| H22 | C10 | H23 | 109.5° | 109.4° |
| H22 | C10 | H24 | 109.5° | 109.5° |
| H23 | C10 | H24 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C13 | C12 | C11 | 19.4° | 0.0° |
| O14 | C13 | C12 | O15 | 177.7° | 180.0° |
| O14 | C13 | C12 | N2 | 161.9° | 179.8° |
| O14 | C13 | O15 | C9 | 2.2° | 0.0° |
| S1 | C11 | C12 | H2 | 180.0° | 179.8° |
| S1 | C11 | C12 | C13 | 179.2° | 180.0° |
| S1 | C11 | C12 | N2 | 0.4° | 0.1° |
| C11 | S1 | C8 | N2 | 3.1° | 0.3° |
| C11 | S1 | C8 | C3 | 175.0° | 180.0° |
| C11 | C12 | C13 | N2 | 178.7° | 179.8° |
| C11 | C12 | C13 | O15 | 158.3° | 180.0° |
| C12 | C11 | S1 | C8 | 1.4° | 0.2° |
| C11 | C12 | N2 | C8 | 2.7° | 0.1° |
| C12 | C13 | O15 | C9 | 179.9° | 180.0° |
| C13 | C12 | N2 | C8 | 178.5° | 179.8° |
| C13 | C12 | C11 | H2 | 0.8° | 0.2° |
| O15 | C13 | C12 | N2 | 20.4° | 0.1° |
| C13 | O15 | C9 | C10 | 124.7° | 180.0° |
| C13 | O15 | C9 | H20 | 4.8° | 60.0° |
| C13 | O15 | C9 | H21 | 115.3° | 60.0° |
| S1 | C8 | N2 | C12 | 3.8° | 0.2° |
| S1 | C8 | N2 | C3 | 171.8° | 179.7° |
| S1 | C8 | C3 | N1 | 8.3° | 180.0° |
| S1 | C8 | C3 | C5 | 161.9° | 0.4° |
| C8 | S1 | C11 | H2 | 178.6° | 180.0° |
| C12 | N2 | C8 | C3 | 175.5° | 180.0° |
| N2 | C12 | C11 | H2 | 179.6° | 179.9° |
| O15 | C9 | C10 | H20 | 120.0° | 120.0° |
| O15 | C9 | C10 | H21 | 120.0° | 120.0° |
| O15 | C9 | H20 | H21 | 120.0° | 120.0° |
| O15 | C9 | C10 | H22 | 180.0° | 180.0° |
| O15 | C9 | C10 | H23 | 60.0° | 60.0° |
| O15 | C9 | C10 | H24 | 60.0° | 60.0° |
| C10 | C9 | H20 | H21 | 120.0° | 120.1° |
| C9 | C10 | H22 | H23 | 120.0° | 120.0° |
| C9 | C10 | H22 | H24 | 120.0° | 120.1° |
| C9 | C10 | H23 | H24 | 120.0° | 120.0° |
| N2 | C8 | C3 | N1 | 179.4° | 0.3° |
| N2 | C8 | C3 | C5 | 9.3° | 180.0° |
| C8 | C3 | N1 | C5 | 171.3° | 179.7° |
| C8 | C3 | N1 | C6 | 176.7° | 179.7° |
| C8 | C3 | C5 | C7 | 9.0° | 0.1° |
| C8 | C3 | C5 | O9 | 175.1° | 180.0° |
| C3 | N1 | C6 | C2 | 177.5° | 179.8° |
| C3 | N1 | C6 | O9 | 5.5° | 0.2° |
| N1 | C3 | C5 | C7 | 180.0° | 179.7° |
| N1 | C3 | C5 | O9 | 4.0° | 0.3° |
| C6 | N1 | C3 | C5 | 5.4° | 0.1° |
| N1 | C6 | C2 | C1 | 18.6° | 0.5° |
| N1 | C6 | C2 | O9 | 171.8° | 179.5° |
| N1 | C6 | O9 | C5 | 3.1° | 0.4° |
| N1 | C6 | C2 | N3 | 155.0° | 179.5° |
| C3 | C5 | O9 | C6 | 0.5° | 0.4° |
| C3 | C5 | C7 | O9 | 175.6° | 180.0° |
| C3 | C5 | C7 | H3 | 175.6° | 90.0° |
| C3 | C5 | C7 | H4 | 64.4° | 150.0° |
| C3 | C5 | C7 | H5 | 55.6° | 30.1° |
| C2 | C1 | S5 | H1 | 180.0° | 179.8° |
| C1 | C2 | C6 | N3 | 173.6° | 180.0° |
| C1 | C2 | C6 | O9 | 169.5° | 180.0° |
| C2 | C1 | S5 | C4 | 1.2° | 0.0° |
| C1 | C2 | N3 | C4 | 3.3° | 0.0° |
| S5 | C1 | C2 | C6 | 175.9° | 180.0° |
| S5 | C1 | C2 | N3 | 2.8° | 0.0° |
| C1 | S5 | C4 | N3 | 0.4° | 0.0° |
| C1 | S5 | C4 | CA | 179.6° | 180.0° |
| C2 | C6 | O9 | C5 | 175.2° | 180.0° |
| C6 | C2 | N3 | C4 | 177.0° | 180.0° |
| C6 | C2 | C1 | H1 | 4.1° | 0.2° |
| C6 | O9 | C5 | C7 | 177.4° | 179.6° |
| O9 | C6 | C2 | N3 | 16.9° | 0.0° |
| C5 | C7 | H3 | H4 | 120.0° | 120.0° |
| C5 | C7 | H3 | H5 | 120.0° | 120.1° |
| C5 | C7 | H4 | H5 | 120.0° | 120.0° |
| O9 | C5 | C7 | H3 | 0.0° | 90.0° |
| O9 | C5 | C7 | H4 | 120.0° | 30.0° |
| O9 | C5 | C7 | H5 | 120.0° | 150.0° |
| C2 | N3 | C4 | S5 | 1.9° | 0.0° |
| C2 | N3 | C4 | CA | 179.0° | 180.0° |
| N3 | C2 | C1 | H1 | 177.2° | 179.8° |
| S5 | C4 | N3 | CA | 179.1° | 179.9° |
| S5 | C4 | CA | CB | 62.2° | 75.0° |
| S5 | C4 | CA | N | 175.2° | 45.0° |
| C4 | S5 | C1 | H1 | 178.8° | 179.8° |
| S5 | C4 | CA | H6 | 57.1° | 165.0° |
| NH2 | CZ | NH1 | NE | 179.2° | 180.0° |
| NH2 | CZ | NE | CD | 0.9° | 0.0° |
| NH2 | CZ | NE | H16 | 179.1° | 179.9° |
| NH2 | CZ | NH1 | H17 | 179.2° | 179.9° |
| NH2 | CZ | NH1 | H18 | 0.8° | 0.0° |
| NH1 | CZ | NE | CD | 179.9° | 180.0° |
| NH1 | CZ | NE | H16 | 0.1° | 0.0° |
| CZ | NH1 | H17 | H18 | 180.0° | 180.0° |
| NH1 | CZ | NH2 | H19 | 179.1° | 180.0° |
| N3 | C4 | CA | CB | 118.8° | 105.0° |
| N3 | C4 | CA | N | 3.8° | 135.0° |
| N3 | C4 | CA | H6 | 122.0° | 15.0° |
| C4 | CA | CB | CG | 47.5° | 175.0° |
| C4 | CA | CB | N | 121.7° | 119.9° |
| C4 | CA | CB | H6 | 119.6° | 120.0° |
| C4 | CA | N | H6 | 118.0° | 120.0° |
| C4 | CA | N | H7 | 180.0° | 60.0° |
| C4 | CA | N | H8 | 60.0° | 176.1° |
| C4 | CA | CB | H10 | 168.2° | 64.9° |
| C4 | CA | CB | H11 | 73.2° | 55.0° |
| CZ | NE | CD | CG | 90.8° | 180.0° |
| CZ | NE | CD | H16 | 180.0° | 180.0° |
| CZ | NE | CD | H14 | 28.9° | 60.0° |
| CZ | NE | CD | H15 | 149.6° | 60.0° |
| NE | CZ | NH1 | H17 | 0.0° | 0.0° |
| NE | CZ | NH1 | H18 | 180.0° | 180.0° |
| NE | CZ | NH2 | H19 | 0.0° | 0.0° |
| CB | CG | CD | H12 | 119.8° | 119.9° |
| CB | CG | CD | H13 | 119.8° | 120.0° |
| CB | CG | CD | NE | 170.5° | 180.0° |
| CG | CB | CA | H10 | 120.7° | 120.0° |
| CG | CB | CA | H11 | 120.7° | 120.1° |
| CG | CB | CA | N | 74.2° | 65.0° |
| CG | CB | CA | H6 | 167.1° | 55.0° |
| CG | CB | H10 | H11 | 117.6° | 120.0° |
| CB | CG | H12 | H13 | 120.4° | 120.0° |
| CB | CG | CD | H14 | 50.8° | 60.0° |
| CB | CG | CD | H15 | 69.9° | 60.0° |
| CG | CD | NE | H14 | 119.7° | 120.0° |
| CG | CD | NE | H15 | 119.7° | 120.0° |
| CD | CG | CB | CA | 156.1° | NaN° |
| CD | CG | CB | H10 | 35.3° | 60.0° |
| CD | CG | CB | H11 | 83.2° | 59.9° |
| CD | CG | H12 | H13 | 120.5° | 120.0° |
| CG | CD | H14 | H15 | 120.9° | 120.0° |
| CG | CD | NE | H16 | 89.2° | 0.0° |
| NE | CD | CG | H12 | 69.7° | 60.0° |
| NE | CD | CG | H13 | 50.6° | 60.0° |
| NE | CD | H14 | H15 | 120.9° | 120.0° |
| CB | CA | N | H6 | 118.2° | 120.0° |
| CB | CA | N | H7 | 56.3° | 60.0° |
| CB | CA | N | H8 | 176.3° | 63.9° |
| CA | CB | H10 | H11 | 117.7° | 120.0° |
| CA | CB | CG | H12 | 36.2° | 60.0° |
| CA | CB | CG | H13 | 84.1° | 60.0° |
| CA | N | H7 | H8 | 120.0° | 123.9° |
| N | CA | CB | H10 | 46.6° | 55.0° |
| N | CA | CB | H11 | 165.1° | 174.9° |
| H3 | C7 | H4 | H5 | 119.9° | 119.9° |
| H6 | CA | N | H7 | 62.0° | 180.0° |
| H6 | CA | N | H8 | 58.0° | 56.1° |
| H6 | CA | CB | H10 | 72.2° | 175.0° |
| H6 | CA | CB | H11 | 46.4° | 65.0° |
| H10 | CB | CG | H12 | 84.5° | 180.0° |
| H10 | CB | CG | H13 | 155.2° | 60.0° |
| H11 | CB | CG | H12 | 157.0° | 60.0° |
| H11 | CB | CG | H13 | 36.7° | 179.9° |
| H12 | CG | CD | H14 | 170.6° | 179.9° |
| H12 | CG | CD | H15 | 49.9° | 59.9° |
| H13 | CG | CD | H14 | 69.1° | 60.0° |
| H13 | CG | CD | H15 | 170.3° | 180.0° |
| H14 | CD | NE | H16 | 151.1° | 120.0° |
| H15 | CD | NE | H16 | 30.4° | 120.1° |
| H20 | C9 | C10 | H22 | 60.0° | 60.0° |
| H20 | C9 | C10 | H23 | 179.9° | 180.0° |
| H20 | C9 | C10 | H24 | 60.0° | 60.0° |
| H21 | C9 | C10 | H22 | 60.0° | 60.0° |
| H21 | C9 | C10 | H23 | 60.0° | 60.0° |
| H21 | C9 | C10 | H24 | 180.0° | 180.0° |
| H22 | C10 | H23 | H24 | 120.0° | 120.0° |
