E9U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2A | C2 | sing | 1.51Å | 1.50Å | |
| O3 | C3 | sing | 1.36Å | 1.36Å | |
| OT | C | doub | 1.21Å | 1.22Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| C | O | sing | 1.34Å | 1.33Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | C4A | doub | 1.29Å | 1.26Å | |
| N1 | C6 | doub | 1.32Å | 1.33Å | Aromatic |
| CA | CB | sing | 1.53Å | 1.54Å | |
| C4 | C4A | sing | 1.48Å | 1.49Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| O2P | P | doub | 1.48Å | 1.48Å | |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C5A | sing | 1.51Å | 1.51Å | |
| O4P | P | sing | 1.61Å | 1.60Å | |
| O4P | C5A | sing | 1.43Å | 1.42Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| P | O1P | sing | 1.61Å | 1.60Å | |
| P | O3P | sing | 1.61Å | 1.60Å | |
| CG | SD | sing | 1.81Å | 1.77Å | |
| SD | CE | sing | 1.81Å | 1.77Å | |
| CE | CZ | sing | 1.53Å | 1.54Å | |
| NH | CZ | sing | 1.47Å | 1.48Å | |
| CZ | CH | sing | 1.51Å | 1.50Å | |
| CH | OX1 | doub | 1.21Å | 1.32Å | |
| CH | OX2 | sing | 1.34Å | 1.22Å | |
| CA | H1 | sing | 1.09Å | 1.10Å | |
| O | H2 | sing | 0.97Å | 0.95Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CG | H5 | sing | 1.09Å | 1.10Å | |
| CG | H6 | sing | 1.09Å | 1.10Å | |
| CE | H7 | sing | 1.09Å | 1.10Å | |
| CE | H8 | sing | 1.09Å | 1.10Å | |
| CZ | H9 | sing | 1.09Å | 1.10Å | |
| NH | H10 | sing | 1.01Å | 1.00Å | |
| NH | H11 | sing | 1.01Å | 1.00Å | |
| C2A | H13 | sing | 1.09Å | 1.10Å | |
| C2A | H14 | sing | 1.09Å | 1.10Å | |
| C2A | H15 | sing | 1.09Å | 1.10Å | |
| C4A | H16 | sing | 1.08Å | 1.08Å | |
| C5A | H17 | sing | 1.09Å | 1.10Å | |
| C5A | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.08Å | 1.08Å | |
| O1P | H20 | sing | 0.97Å | 0.95Å | |
| O3 | H21 | sing | 0.97Å | 0.95Å | |
| O3P | H22 | sing | 0.97Å | 0.95Å | |
| OX2 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2A | C2 | C3 | 120.5° | 119.6° |
| C2A | C2 | N1 | 118.1° | 119.6° |
| C2 | C2A | H13 | 109.5° | 109.5° |
| C2 | C2A | H14 | 109.5° | 109.5° |
| C2 | C2A | H15 | 109.5° | 109.5° |
| O3 | C3 | C2 | 119.7° | 120.6° |
| O3 | C3 | C4 | 120.3° | 120.5° |
| C3 | O3 | H21 | 109.5° | 114.0° |
| OT | C | O | 118.3° | 120.0° |
| OT | C | CA | 123.3° | 120.0° |
| C3 | C2 | N1 | 121.4° | 120.8° |
| C2 | C3 | C4 | 120.0° | 118.9° |
| C2 | N1 | C6 | 120.1° | 122.2° |
| C3 | C4 | C4A | 120.8° | 121.0° |
| C3 | C4 | C5 | 117.2° | 118.1° |
| O | C | CA | 118.4° | 120.0° |
| C | O | H2 | 109.5° | 117.0° |
| C | CA | N | 106.6° | 109.4° |
| C | CA | CB | 113.0° | 109.5° |
| C | CA | H1 | 109.1° | 109.5° |
| CA | N | C4A | 126.1° | 119.9° |
| N | CA | CB | 109.8° | 109.5° |
| N | CA | H1 | 109.6° | 109.5° |
| N | C4A | C4 | 121.8° | 120.0° |
| N | C4A | H16 | 119.1° | 120.1° |
| N1 | C6 | C5 | 120.6° | 121.0° |
| N1 | C6 | H19 | 119.7° | 119.5° |
| CA | CB | CG | 115.9° | 109.4° |
| CB | CA | H1 | 108.7° | 109.5° |
| CA | CB | H3 | 107.8° | 109.5° |
| CA | CB | H4 | 107.8° | 109.5° |
| C4A | C4 | C5 | 122.0° | 120.9° |
| C4 | C4A | H16 | 119.1° | 120.0° |
| C4 | C5 | C6 | 120.7° | 119.1° |
| C4 | C5 | C5A | 121.8° | 120.5° |
| O2P | P | O4P | 108.6° | 109.5° |
| O2P | P | O1P | 107.3° | 109.4° |
| O2P | P | O3P | 112.8° | 109.5° |
| C6 | C5 | C5A | 117.4° | 120.5° |
| C5 | C6 | H19 | 119.7° | 119.5° |
| C5 | C5A | O4P | 109.1° | 109.5° |
| C5 | C5A | H17 | 109.6° | 109.5° |
| C5 | C5A | H18 | 109.6° | 109.5° |
| P | O4P | C5A | 119.1° | 123.0° |
| O4P | P | O1P | 111.0° | 109.5° |
| O4P | P | O3P | 108.4° | 109.5° |
| O4P | C5A | H17 | 109.5° | 109.5° |
| O4P | C5A | H18 | 109.6° | 109.5° |
| CB | CG | SD | 107.7° | 109.5° |
| CG | CB | H3 | 107.9° | 109.5° |
| CG | CB | H4 | 107.9° | 109.5° |
| CB | CG | H5 | 109.9° | 109.4° |
| CB | CG | H6 | 109.9° | 109.5° |
| O1P | P | O3P | 108.8° | 109.5° |
| P | O1P | H20 | 109.5° | 114.0° |
| P | O3P | H22 | 109.5° | 114.0° |
| CG | SD | CE | 114.1° | 103.0° |
| SD | CG | H5 | 109.9° | 109.5° |
| SD | CG | H6 | 109.9° | 109.5° |
| SD | CE | CZ | 114.1° | 109.4° |
| SD | CE | H7 | 108.3° | 109.5° |
| SD | CE | H8 | 108.3° | 109.4° |
| CE | CZ | NH | 111.9° | 109.5° |
| CE | CZ | CH | 110.9° | 109.4° |
| CZ | CE | H7 | 108.3° | 109.5° |
| CZ | CE | H8 | 108.3° | 109.5° |
| CE | CZ | H9 | 108.7° | 109.5° |
| NH | CZ | CH | 106.3° | 109.5° |
| NH | CZ | H9 | 109.6° | 109.5° |
| CZ | NH | H10 | 109.5° | 111.0° |
| CZ | NH | H11 | 109.5° | 110.9° |
| CZ | CH | OX1 | 119.6° | 120.0° |
| CZ | CH | OX2 | 120.6° | 120.0° |
| CH | CZ | H9 | 109.3° | 109.4° |
| OX1 | CH | OX2 | 119.8° | 120.0° |
| CH | OX2 | H23 | 109.5° | 117.0° |
| H3 | CB | H4 | 109.5° | 109.4° |
| H5 | CG | H6 | 109.5° | 109.5° |
| H7 | CE | H8 | 109.5° | 109.5° |
| H10 | NH | H11 | 109.5° | 111.0° |
| H13 | C2A | H14 | 109.4° | 109.4° |
| H13 | C2A | H15 | 109.5° | 109.5° |
| H14 | C2A | H15 | 109.5° | 109.5° |
| H17 | C5A | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2A | C2 | C3 | O3 | 0.3° | 0.0° |
| C2A | C2 | C3 | N1 | 179.8° | 180.0° |
| C2A | C2 | C3 | C4 | 178.9° | 180.0° |
| C2A | C2 | N1 | C6 | 179.4° | 179.9° |
| C2 | C2A | H13 | H14 | 120.0° | 120.0° |
| C2 | C2A | H13 | H15 | 120.0° | 120.1° |
| C2 | C2A | H14 | H15 | 120.0° | 120.1° |
| O3 | C3 | C2 | C4 | 179.1° | 180.0° |
| O3 | C3 | C2 | N1 | 180.0° | 180.0° |
| O3 | C3 | C4 | C4A | 1.6° | 0.1° |
| O3 | C3 | C4 | C5 | 179.9° | 180.0° |
| OT | C | O | CA | 178.7° | 179.9° |
| OT | C | CA | N | 152.6° | 0.0° |
| OT | C | CA | CB | 86.6° | 120.0° |
| OT | C | CA | H1 | 34.4° | 120.0° |
| OT | C | O | H2 | 0.0° | 0.1° |
| C3 | C2 | N1 | C6 | 0.4° | 0.0° |
| C2 | C3 | C4 | C4A | 179.3° | 180.0° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C3 | C2 | C2A | H13 | 179.8° | 90.0° |
| C3 | C2 | C2A | H14 | 59.8° | 150.0° |
| C3 | C2 | C2A | H15 | 60.2° | 30.0° |
| C2 | C3 | O3 | H21 | 180.0° | 89.9° |
| N1 | C2 | C3 | C4 | 0.9° | 0.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| N1 | C2 | C2A | H13 | 0.0° | 89.9° |
| N1 | C2 | C2A | H14 | 120.0° | 30.0° |
| N1 | C2 | C2A | H15 | 120.0° | 150.0° |
| C2 | N1 | C6 | H19 | 180.0° | 180.0° |
| C3 | C4 | C4A | N | 11.9° | 0.0° |
| C3 | C4 | C4A | C5 | 178.3° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C3 | C4 | C5 | C5A | 180.0° | 180.0° |
| C3 | C4 | C4A | H16 | 168.1° | 180.0° |
| C4 | C3 | O3 | H21 | 0.8° | 90.1° |
| O | C | CA | N | 26.0° | 179.9° |
| O | C | CA | CB | 94.7° | 59.9° |
| O | C | CA | H1 | 144.3° | 60.1° |
| C | CA | N | CB | 122.7° | 120.0° |
| C | CA | N | H1 | 117.9° | 120.0° |
| C | CA | N | C4A | 148.1° | 120.0° |
| C | CA | CB | H1 | 121.2° | 120.0° |
| C | CA | CB | CG | 52.0° | 175.0° |
| CA | C | O | H2 | 178.7° | 180.0° |
| C | CA | CB | H3 | 173.0° | 65.0° |
| C | CA | CB | H4 | 68.9° | 55.0° |
| N | CA | CB | H1 | 119.9° | 120.0° |
| CA | N | C4A | C4 | 178.4° | 180.0° |
| N | CA | CB | CG | 170.9° | 65.0° |
| N | CA | CB | H3 | 68.1° | 55.0° |
| N | CA | CB | H4 | 50.0° | 174.9° |
| CA | N | C4A | H16 | 1.6° | 0.0° |
| C4A | N | CA | CB | 25.4° | 120.0° |
| N | C4A | C4 | H16 | 180.0° | 179.9° |
| N | C4A | C4 | C5 | 169.8° | 180.0° |
| C4A | N | CA | H1 | 93.9° | 0.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | H19 | 180.0° | 180.0° |
| N1 | C6 | C5 | C5A | 179.6° | 179.9° |
| CA | CB | CG | H3 | 120.9° | 120.0° |
| CA | CB | CG | H4 | 120.9° | 120.0° |
| CA | CB | CG | SD | 145.1° | 180.0° |
| CA | CB | H3 | H4 | 117.1° | 120.0° |
| CA | CB | CG | H5 | 25.4° | 60.0° |
| CA | CB | CG | H6 | 95.2° | 60.0° |
| C4A | C4 | C5 | C6 | 178.9° | 180.0° |
| C4A | C4 | C5 | C5A | 1.6° | 0.0° |
| C4 | C5 | C6 | C5A | 179.5° | 180.0° |
| C4 | C5 | C5A | O4P | 88.3° | 180.0° |
| C5 | C4 | C4A | H16 | 10.2° | 0.1° |
| C4 | C5 | C5A | H17 | 151.8° | 60.0° |
| C4 | C5 | C5A | H18 | 31.6° | 59.9° |
| C4 | C5 | C6 | H19 | 179.9° | 180.0° |
| O2P | P | O4P | O1P | 117.7° | 120.0° |
| O2P | P | O4P | O3P | 122.8° | 120.0° |
| O2P | P | O4P | C5A | 174.3° | 55.0° |
| O2P | P | O1P | O3P | 122.3° | 120.0° |
| O2P | P | O1P | H20 | 0.0° | 180.0° |
| O2P | P | O3P | H22 | 0.0° | 60.0° |
| C6 | C5 | C5A | O4P | 91.2° | 0.0° |
| C6 | C5 | C5A | H17 | 28.7° | 120.1° |
| C6 | C5 | C5A | H18 | 148.8° | 120.0° |
| C5 | C5A | O4P | P | 146.2° | 180.0° |
| C5 | C5A | O4P | H17 | 119.9° | 120.0° |
| C5 | C5A | O4P | H18 | 120.0° | 120.0° |
| C5 | C5A | H17 | H18 | 120.2° | 119.9° |
| C5A | C5 | C6 | H19 | 0.4° | 0.0° |
| O4P | P | O1P | O3P | 119.2° | 120.0° |
| P | O4P | C5A | H17 | 93.8° | 60.0° |
| P | O4P | C5A | H18 | 26.3° | 60.0° |
| O4P | P | O1P | H20 | 118.5° | 60.1° |
| O4P | P | O3P | H22 | 120.2° | 180.0° |
| C5A | O4P | P | O1P | 56.6° | 65.0° |
| C5A | O4P | P | O3P | 62.9° | 175.0° |
| O4P | C5A | H17 | H18 | 120.1° | 120.0° |
| CB | CG | SD | H5 | 119.7° | 120.0° |
| CB | CG | SD | H6 | 119.7° | 120.0° |
| CB | CG | SD | CE | 82.5° | 180.0° |
| CG | CB | CA | H1 | 69.2° | 55.0° |
| CG | CB | H3 | H4 | 117.1° | 120.1° |
| CB | CG | H5 | H6 | 120.8° | 120.0° |
| O1P | P | O3P | H22 | 118.9° | 60.0° |
| O3P | P | O1P | H20 | 122.3° | 60.0° |
| CG | SD | CE | CZ | 128.0° | 180.0° |
| SD | CG | CB | H3 | 94.0° | 60.0° |
| SD | CG | CB | H4 | 24.2° | 60.0° |
| SD | CG | H5 | H6 | 120.8° | 120.0° |
| CG | SD | CE | H7 | 7.4° | 60.0° |
| CG | SD | CE | H8 | 111.3° | 60.0° |
| SD | CE | CZ | H7 | 120.7° | 120.0° |
| SD | CE | CZ | H8 | 120.7° | 120.0° |
| SD | CE | CZ | NH | 12.0° | 60.0° |
| SD | CE | CZ | CH | 106.5° | 180.0° |
| CE | SD | CG | H5 | 157.8° | 60.0° |
| CE | SD | CG | H6 | 37.2° | 60.0° |
| SD | CE | H7 | H8 | 117.9° | 120.0° |
| SD | CE | CZ | H9 | 133.2° | 60.0° |
| CE | CZ | NH | CH | 121.2° | 120.0° |
| CE | CZ | NH | H9 | 120.7° | 120.1° |
| CE | CZ | CH | H9 | 119.9° | 120.0° |
| CE | CZ | CH | OX1 | 49.3° | 100.0° |
| CE | CZ | CH | OX2 | 130.5° | 80.0° |
| CZ | CE | H7 | H8 | 117.9° | 120.0° |
| CE | CZ | NH | H10 | 180.0° | 60.0° |
| CE | CZ | NH | H11 | 60.0° | 64.0° |
| NH | CZ | CH | H9 | 118.2° | 120.0° |
| NH | CZ | CH | OX1 | 171.2° | 20.0° |
| NH | CZ | CH | OX2 | 8.6° | 160.0° |
| NH | CZ | CE | H7 | 108.7° | 180.0° |
| NH | CZ | CE | H8 | 132.7° | 59.9° |
| CZ | NH | H10 | H11 | 120.0° | 123.9° |
| CZ | CH | OX1 | OX2 | 179.8° | 180.0° |
| CH | CZ | CE | H7 | 132.8° | 60.0° |
| CH | CZ | CE | H8 | 14.2° | 60.0° |
| CH | CZ | NH | H10 | 58.8° | 60.0° |
| CH | CZ | NH | H11 | 61.2° | 176.1° |
| CZ | CH | OX2 | H23 | 179.8° | 180.0° |
| OX1 | CH | CZ | H9 | 70.6° | 140.0° |
| OX1 | CH | OX2 | H23 | 0.0° | 0.0° |
| OX2 | CH | CZ | H9 | 109.6° | 40.0° |
| H1 | CA | CB | H3 | 51.7° | 175.0° |
| H1 | CA | CB | H4 | 169.9° | 65.0° |
| H3 | CB | CG | H5 | 146.3° | 180.0° |
| H3 | CB | CG | H6 | 25.8° | 60.0° |
| H4 | CB | CG | H5 | 95.5° | 60.0° |
| H4 | CB | CG | H6 | 143.9° | 180.0° |
| H7 | CE | CZ | H9 | 12.5° | 59.9° |
| H8 | CE | CZ | H9 | 106.1° | 180.0° |
| H9 | CZ | NH | H10 | 59.3° | 180.0° |
| H9 | CZ | NH | H11 | 179.3° | 56.1° |
| H13 | C2A | H14 | H15 | 120.0° | 119.9° |
