6UV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OE1 | CD | doub | 1.21Å | 1.25Å | |
| OE2 | CD | sing | 1.34Å | 1.25Å | |
| CD | CG | sing | 1.51Å | 1.52Å | |
| O2 | CT | doub | 1.21Å | 1.25Å | |
| CG | CB | sing | 1.53Å | 1.54Å | |
| CT | O1 | sing | 1.34Å | 1.25Å | |
| CT | CA | sing | 1.51Å | 1.50Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CA | N | sing | 1.46Å | 1.46Å | |
| N8 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| N8 | C8A | sing | 1.34Å | 1.35Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| N1 | C8A | doub | 1.34Å | 1.36Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.36Å | Aromatic |
| C8A | C4A | sing | 1.42Å | 1.49Å | Aromatic |
| NA2 | C2 | sing | 1.38Å | 1.36Å | |
| N | C | sing | 1.35Å | 1.35Å | |
| C2 | N3 | doub | 1.33Å | 1.36Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.52Å | |
| C6 | N5 | doub | 1.32Å | 1.36Å | Aromatic |
| C9 | N10 | sing | 1.47Å | 1.47Å | |
| C4A | N5 | sing | 1.33Å | 1.36Å | Aromatic |
| C4A | C4 | doub | 1.46Å | 1.49Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | NA4 | sing | 1.38Å | 1.35Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C | C11 | sing | 1.48Å | 1.50Å | |
| C | O | doub | 1.22Å | 1.20Å | |
| C11 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | N10 | sing | 1.39Å | 1.40Å | |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| N10 | CM | sing | 1.46Å | 1.46Å | |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| NA2 | H1 | sing | 0.97Å | 1.00Å | |
| NA2 | H2 | sing | 0.97Å | 1.00Å | |
| NA4 | H3 | sing | 0.97Å | 1.00Å | |
| NA4 | H4 | sing | 0.97Å | 1.00Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| CM | H8 | sing | 1.09Å | 1.10Å | |
| CM | H9 | sing | 1.09Å | 1.10Å | |
| CM | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| N | H15 | sing | 0.97Å | 1.00Å | |
| CA | H16 | sing | 1.09Å | 1.10Å | |
| O1 | H17 | sing | 0.97Å | 0.95Å | |
| CB | H18 | sing | 1.09Å | 1.10Å | |
| CB | H19 | sing | 1.09Å | 1.10Å | |
| CG | H20 | sing | 1.09Å | 1.10Å | |
| CG | H21 | sing | 1.09Å | 1.10Å | |
| OE2 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OE1 | CD | OE2 | 120.6° | 120.0° |
| OE1 | CD | CG | 119.2° | 120.0° |
| OE2 | CD | CG | 120.2° | 120.0° |
| CD | OE2 | H22 | 109.5° | 117.0° |
| CD | CG | CB | 117.4° | 109.5° |
| CD | CG | H20 | 107.4° | 109.5° |
| CD | CG | H21 | 107.5° | 109.5° |
| O2 | CT | O1 | 122.7° | 120.0° |
| O2 | CT | CA | 119.6° | 120.0° |
| CG | CB | CA | 111.7° | 109.5° |
| CG | CB | H18 | 108.9° | 109.5° |
| CG | CB | H19 | 108.9° | 109.4° |
| CB | CG | H20 | 107.4° | 109.5° |
| CB | CG | H21 | 107.4° | 109.5° |
| O1 | CT | CA | 117.7° | 120.0° |
| CT | O1 | H17 | 109.5° | 117.0° |
| CT | CA | CB | 110.6° | 109.5° |
| CT | CA | N | 109.6° | 109.5° |
| CT | CA | H16 | 107.1° | 109.5° |
| CB | CA | N | 115.1° | 109.5° |
| CB | CA | H16 | 106.6° | 109.5° |
| CA | CB | H18 | 108.9° | 109.5° |
| CA | CB | H19 | 108.9° | 109.4° |
| CA | N | C | 125.8° | 120.0° |
| CA | N | H15 | 117.1° | 120.0° |
| N | CA | H16 | 107.5° | 109.5° |
| C7 | N8 | C8A | 119.3° | 119.6° |
| N8 | C7 | C6 | 122.2° | 120.8° |
| N8 | C7 | H5 | 118.9° | 119.7° |
| N8 | C8A | N1 | 121.8° | 121.9° |
| N8 | C8A | C4A | 119.2° | 119.4° |
| C7 | C6 | C9 | 117.6° | 119.7° |
| C7 | C6 | N5 | 120.9° | 120.6° |
| C6 | C7 | H5 | 118.9° | 119.6° |
| C8A | N1 | C2 | 121.9° | 121.1° |
| N1 | C8A | C4A | 119.0° | 118.6° |
| N1 | C2 | NA2 | 119.1° | 118.3° |
| N1 | C2 | N3 | 122.1° | 123.5° |
| C8A | C4A | N5 | 119.7° | 120.0° |
| C8A | C4A | C4 | 116.0° | 117.8° |
| NA2 | C2 | N3 | 118.8° | 118.2° |
| C2 | NA2 | H1 | 109.5° | 120.0° |
| C2 | NA2 | H2 | 109.5° | 120.0° |
| N | C | C11 | 124.6° | 120.0° |
| N | C | O | 120.1° | 120.0° |
| C | N | H15 | 117.1° | 120.0° |
| C2 | N3 | C4 | 122.2° | 121.3° |
| C9 | C6 | N5 | 121.4° | 119.7° |
| C6 | C9 | N10 | 113.4° | 109.5° |
| C6 | C9 | H6 | 108.5° | 109.5° |
| C6 | C9 | H7 | 108.5° | 109.4° |
| C6 | N5 | C4A | 118.7° | 119.5° |
| C9 | N10 | C14 | 117.6° | 120.0° |
| C9 | N10 | CM | 121.5° | 120.0° |
| N10 | C9 | H6 | 108.5° | 109.4° |
| N10 | C9 | H7 | 108.5° | 109.5° |
| N5 | C4A | C4 | 124.4° | 122.1° |
| C4A | C4 | N3 | 118.9° | 117.7° |
| C4A | C4 | NA4 | 121.7° | 121.1° |
| N3 | C4 | NA4 | 119.4° | 121.2° |
| C4 | NA4 | H3 | 109.5° | 120.0° |
| C4 | NA4 | H4 | 109.4° | 120.0° |
| C13 | C12 | C11 | 121.2° | 119.9° |
| C12 | C13 | C14 | 119.8° | 120.1° |
| C13 | C12 | H11 | 119.4° | 120.0° |
| C12 | C13 | H12 | 120.1° | 120.0° |
| C12 | C11 | C | 117.7° | 120.1° |
| C12 | C11 | C16 | 119.4° | 119.8° |
| C11 | C12 | H11 | 119.4° | 120.0° |
| C13 | C14 | N10 | 117.8° | 119.9° |
| C13 | C14 | C15 | 119.8° | 120.1° |
| C14 | C13 | H12 | 120.1° | 120.0° |
| C11 | C | O | 115.2° | 120.0° |
| C | C11 | C16 | 122.9° | 120.1° |
| C11 | C16 | C15 | 119.8° | 119.9° |
| C11 | C16 | H14 | 120.1° | 120.0° |
| N10 | C14 | C15 | 122.4° | 120.0° |
| C14 | N10 | CM | 120.9° | 120.0° |
| C14 | C15 | C16 | 120.1° | 120.1° |
| C14 | C15 | H13 | 119.9° | 119.9° |
| N10 | CM | H8 | 109.5° | 109.5° |
| N10 | CM | H9 | 109.4° | 109.5° |
| N10 | CM | H10 | 109.5° | 109.4° |
| C16 | C15 | H13 | 120.0° | 120.0° |
| C15 | C16 | H14 | 120.1° | 120.0° |
| H1 | NA2 | H2 | 109.5° | 120.0° |
| H3 | NA4 | H4 | 109.5° | 120.0° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H8 | CM | H9 | 109.5° | 109.5° |
| H8 | CM | H10 | 109.5° | 109.5° |
| H9 | CM | H10 | 109.5° | 109.4° |
| H18 | CB | H19 | 109.5° | 109.5° |
| H20 | CG | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OE1 | CD | OE2 | CG | 180.0° | 180.0° |
| OE1 | CD | CG | CB | 172.0° | 0.0° |
| OE1 | CD | CG | H20 | 66.8° | 120.0° |
| OE1 | CD | CG | H21 | 50.9° | 120.0° |
| OE1 | CD | OE2 | H22 | 0.0° | 0.0° |
| OE2 | CD | CG | CB | 8.0° | 180.0° |
| OE2 | CD | CG | H20 | 113.2° | 60.0° |
| OE2 | CD | CG | H21 | 129.1° | 60.0° |
| CD | CG | CB | H20 | 121.1° | 120.0° |
| CD | CG | CB | H21 | 121.2° | 120.0° |
| CD | CG | CB | CA | 179.9° | 180.0° |
| CD | CG | CB | H18 | 59.8° | 60.0° |
| CD | CG | CB | H19 | 59.6° | 60.0° |
| CD | CG | H20 | H21 | 116.4° | 120.0° |
| CG | CD | OE2 | H22 | 180.0° | 180.0° |
| O2 | CT | O1 | CA | 179.8° | 180.0° |
| O2 | CT | CA | CB | 17.9° | 120.0° |
| O2 | CT | CA | N | 145.8° | 0.0° |
| O2 | CT | CA | H16 | 97.8° | 120.0° |
| O2 | CT | O1 | H17 | 0.0° | 0.0° |
| CG | CB | CA | CT | 63.2° | 175.0° |
| CG | CB | CA | H18 | 120.4° | 120.0° |
| CG | CB | CA | H19 | 120.3° | 119.9° |
| CG | CB | CA | N | 172.0° | 65.0° |
| CG | CB | CA | H16 | 52.9° | 55.0° |
| CG | CB | H18 | H19 | 119.0° | 120.0° |
| CB | CG | H20 | H21 | 116.4° | 120.0° |
| O1 | CT | CA | CB | 162.3° | 60.0° |
| O1 | CT | CA | N | 34.3° | 180.0° |
| O1 | CT | CA | H16 | 82.0° | 60.0° |
| CT | CA | CB | N | 124.8° | 120.0° |
| CT | CA | CB | H16 | 116.0° | 120.0° |
| CT | CA | N | H16 | 116.1° | 120.0° |
| CT | CA | N | C | 88.0° | 85.0° |
| CT | CA | N | H15 | 91.9° | 95.0° |
| CA | CT | O1 | H17 | 179.8° | 180.0° |
| CT | CA | CB | H18 | 176.5° | 55.0° |
| CT | CA | CB | H19 | 57.2° | 65.1° |
| CB | CA | N | H16 | 118.6° | 120.0° |
| CB | CA | N | C | 146.6° | 155.0° |
| CB | CA | N | H15 | 33.4° | 25.0° |
| CA | CB | H18 | H19 | 119.0° | 120.0° |
| CA | CB | CG | H20 | 58.7° | 60.0° |
| CA | CB | CG | H21 | 59.0° | 60.0° |
| CA | N | C | H15 | 180.0° | 180.0° |
| CA | N | C | C11 | 67.4° | 180.0° |
| CA | N | C | O | 116.0° | 0.1° |
| N | CA | CB | H18 | 51.6° | 175.0° |
| N | CA | CB | H19 | 67.7° | 55.0° |
| N8 | C7 | C6 | H5 | 180.0° | 180.0° |
| C7 | N8 | C8A | N1 | 180.0° | 180.0° |
| C7 | N8 | C8A | C4A | 0.0° | 0.0° |
| N8 | C7 | C6 | C9 | 179.6° | 180.0° |
| N8 | C7 | C6 | N5 | 0.4° | 0.0° |
| C8A | N8 | C7 | C6 | 0.2° | 0.0° |
| N8 | C8A | N1 | C4A | 179.9° | 180.0° |
| N8 | C8A | N1 | C2 | 180.0° | 180.0° |
| N8 | C8A | C4A | N5 | 0.1° | 0.1° |
| N8 | C8A | C4A | C4 | 179.7° | 180.0° |
| C8A | N8 | C7 | H5 | 179.8° | 180.0° |
| C7 | C6 | C9 | N5 | 179.9° | 179.9° |
| C7 | C6 | C9 | N10 | 134.7° | 95.0° |
| C7 | C6 | N5 | C4A | 0.5° | 0.1° |
| C7 | C6 | C9 | H6 | 14.1° | 145.0° |
| C7 | C6 | C9 | H7 | 104.7° | 25.1° |
| C8A | N1 | C2 | NA2 | 180.0° | 180.0° |
| C8A | N1 | C2 | N3 | 0.1° | 0.0° |
| N1 | C8A | C4A | N5 | 180.0° | 180.0° |
| N1 | C8A | C4A | C4 | 0.2° | 0.0° |
| C2 | N1 | C8A | C4A | 0.0° | 0.0° |
| N1 | C2 | NA2 | N3 | 179.9° | 179.9° |
| N1 | C2 | N3 | C4 | 0.0° | 0.0° |
| N1 | C2 | NA2 | H1 | 0.0° | 0.0° |
| N1 | C2 | NA2 | H2 | 120.0° | 180.0° |
| C8A | C4A | N5 | C6 | 0.3° | 0.1° |
| C8A | C4A | N5 | C4 | 179.8° | 179.9° |
| C8A | C4A | C4 | N3 | 0.3° | 0.0° |
| C8A | C4A | C4 | NA4 | 179.9° | 180.0° |
| NA2 | C2 | N3 | C4 | 179.8° | 180.0° |
| C2 | NA2 | H1 | H2 | 120.0° | 180.0° |
| N | C | C11 | C12 | 78.2° | 0.3° |
| N | C | C11 | O | 176.8° | 180.0° |
| N | C | C11 | C16 | 103.4° | 180.0° |
| C | N | CA | H16 | 28.0° | 35.0° |
| C2 | N3 | C4 | C4A | 0.3° | 0.0° |
| C2 | N3 | C4 | NA4 | 180.0° | 180.0° |
| N3 | C2 | NA2 | H1 | 179.9° | 180.0° |
| N3 | C2 | NA2 | H2 | 59.9° | 0.1° |
| C6 | C9 | N10 | H6 | 120.6° | 120.0° |
| C6 | C9 | N10 | H7 | 120.6° | 120.0° |
| C9 | C6 | N5 | C4A | 179.6° | 180.0° |
| C6 | C9 | N10 | C14 | 117.5° | 90.0° |
| C6 | C9 | N10 | CM | 62.8° | 90.0° |
| C9 | C6 | C7 | H5 | 0.4° | 0.0° |
| C6 | C9 | H6 | H7 | 118.2° | 120.0° |
| N5 | C6 | C9 | N10 | 45.4° | 84.9° |
| C6 | N5 | C4A | C4 | 179.5° | 180.0° |
| N5 | C6 | C7 | H5 | 179.6° | 179.9° |
| N5 | C6 | C9 | H6 | 166.0° | 35.0° |
| N5 | C6 | C9 | H7 | 75.2° | 155.0° |
| C9 | N10 | C14 | C13 | 61.8° | 180.0° |
| C9 | N10 | C14 | CM | 179.7° | 180.0° |
| C9 | N10 | C14 | C15 | 116.8° | 0.1° |
| N10 | C9 | H6 | H7 | 118.2° | 120.0° |
| C9 | N10 | CM | H8 | 180.0° | 90.0° |
| C9 | N10 | CM | H9 | 60.0° | 150.0° |
| C9 | N10 | CM | H10 | 60.0° | 30.0° |
| N5 | C4A | C4 | N3 | 179.8° | 180.0° |
| N5 | C4A | C4 | NA4 | 0.1° | 0.0° |
| C4A | C4 | N3 | NA4 | 179.8° | 180.0° |
| C4A | C4 | NA4 | H3 | 179.8° | 179.9° |
| C4A | C4 | NA4 | H4 | 60.2° | 0.0° |
| N3 | C4 | NA4 | H3 | 0.0° | 0.1° |
| N3 | C4 | NA4 | H4 | 120.0° | 180.0° |
| C4 | NA4 | H3 | H4 | 120.0° | 179.9° |
| C13 | C12 | C11 | H11 | 180.0° | 179.9° |
| C12 | C13 | C14 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C | 179.4° | 179.8° |
| C13 | C12 | C11 | C16 | 1.0° | 0.1° |
| C12 | C13 | C14 | N10 | 179.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.1° |
| C11 | C12 | C13 | C14 | 0.5° | 0.1° |
| C12 | C11 | C | C16 | 178.3° | 179.7° |
| C12 | C11 | C | O | 98.5° | 179.7° |
| C12 | C11 | C16 | C15 | 1.4° | 0.1° |
| C11 | C12 | C13 | H12 | 179.5° | 180.0° |
| C12 | C11 | C16 | H14 | 178.6° | 180.0° |
| C13 | C14 | N10 | C15 | 178.7° | 179.9° |
| C13 | C14 | N10 | CM | 118.5° | 0.0° |
| C13 | C14 | C15 | C16 | 0.7° | 0.0° |
| C14 | C13 | C12 | H11 | 179.5° | 180.0° |
| C13 | C14 | C15 | H13 | 179.3° | 180.0° |
| C | C11 | C16 | C15 | 179.7° | 179.8° |
| C | C11 | C12 | H11 | 0.6° | 0.3° |
| C | C11 | C16 | H14 | 0.3° | 0.3° |
| C11 | C | N | H15 | 112.6° | 0.0° |
| O | C | C11 | C16 | 79.8° | 0.0° |
| O | C | N | H15 | 64.1° | 180.0° |
| C11 | C16 | C15 | C14 | 1.2° | 0.0° |
| C11 | C16 | C15 | H14 | 180.0° | 180.0° |
| C16 | C11 | C12 | H11 | 178.9° | 180.0° |
| C11 | C16 | C15 | H13 | 178.8° | 180.0° |
| N10 | C14 | C15 | C16 | 179.3° | 180.0° |
| C14 | N10 | C9 | H6 | 121.9° | 150.0° |
| C14 | N10 | C9 | H7 | 3.1° | 30.0° |
| C14 | N10 | CM | H8 | 0.3° | 90.0° |
| C14 | N10 | CM | H9 | 120.3° | 30.0° |
| C14 | N10 | CM | H10 | 119.7° | 150.0° |
| N10 | C14 | C13 | H12 | 1.0° | 0.1° |
| N10 | C14 | C15 | H13 | 0.7° | 0.1° |
| C15 | C14 | N10 | CM | 62.8° | 180.0° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| C15 | C14 | C13 | H12 | 179.7° | 180.0° |
| C14 | C15 | C16 | H14 | 178.8° | 180.0° |
| CM | N10 | C9 | H6 | 57.8° | 30.0° |
| CM | N10 | C9 | H7 | 176.6° | 150.0° |
| N10 | CM | H8 | H9 | 120.0° | 120.0° |
| N10 | CM | H8 | H10 | 120.0° | 120.0° |
| N10 | CM | H9 | H10 | 120.0° | 119.9° |
| H8 | CM | H9 | H10 | 120.0° | 120.0° |
| H11 | C12 | C13 | H12 | 0.5° | 0.1° |
| H13 | C15 | C16 | H14 | 1.2° | 0.0° |
| H15 | N | CA | H16 | 152.0° | 145.0° |
| H16 | CA | CB | H18 | 67.5° | 65.0° |
| H16 | CA | CB | H19 | 173.2° | 175.0° |
| H18 | CB | CG | H20 | 179.1° | 180.0° |
| H18 | CB | CG | H21 | 61.4° | 60.0° |
| H19 | CB | CG | H20 | 61.6° | 60.0° |
| H19 | CB | CG | H21 | 179.3° | 179.9° |
