9U9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C21 | sing | 1.55Å | 1.55Å | |
| C23 | C20 | sing | 1.36Å | 1.36Å | |
| C21 | C22 | sing | 1.52Å | 1.52Å | |
| C20 | C19 | trip | 1.18Å | 1.18Å | |
| C22 | C15 | sing | 1.55Å | 1.55Å | |
| C22 | C16 | sing | 1.54Å | 1.54Å | |
| C19 | C18 | sing | 1.37Å | 1.37Å | |
| C15 | C16 | sing | 1.55Å | 1.55Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.55Å | 1.55Å | |
| C18 | C17 | sing | 1.54Å | 1.54Å | |
| C14 | O13 | sing | 1.44Å | 1.44Å | |
| O13 | C11 | sing | 1.44Å | 1.44Å | |
| CE | NZ | sing | 1.45Å | 1.45Å | |
| CE | CD | sing | 1.53Å | 1.53Å | |
| C11 | NZ | sing | 1.43Å | 1.43Å | |
| C11 | O12 | doub | 1.21Å | 1.21Å | |
| CD | CG | sing | 1.52Å | 1.52Å | |
| CG | CB | sing | 1.54Å | 1.54Å | |
| O | C | doub | 1.37Å | 1.37Å | |
| CB | CA | sing | 1.55Å | 1.55Å | |
| CA | C | sing | 1.54Å | 1.54Å | |
| CA | N | sing | 1.44Å | 1.44Å | |
| C | OXT | sing | 1.37Å | 1.37Å | |
| C15 | H15 | sing | 1.10Å | 1.10Å | |
| C17 | H171 | sing | 1.10Å | 1.10Å | |
| C17 | H172 | sing | 1.10Å | 1.10Å | |
| C21 | H211 | sing | 1.10Å | 1.10Å | |
| C21 | H212 | sing | 1.10Å | 1.10Å | |
| C22 | H22 | sing | 1.10Å | 1.10Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| CB | HB3 | sing | 1.10Å | 1.10Å | |
| CG | HG2 | sing | 1.10Å | 1.10Å | |
| CG | HG3 | sing | 1.10Å | 1.10Å | |
| CD | HD2 | sing | 1.10Å | 1.10Å | |
| CD | HD3 | sing | 1.10Å | 1.10Å | |
| CE | HE2 | sing | 1.10Å | 1.10Å | |
| CE | HE3 | sing | 1.10Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C16 | H16 | sing | 1.10Å | 1.10Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.10Å | 1.10Å | |
| C23 | H231 | sing | 1.10Å | 1.10Å | |
| C23 | H232 | sing | 1.10Å | 1.10Å | |
| N | H | sing | 1.00Å | 1.00Å | |
| N | H2 | sing | 1.00Å | 1.00Å | |
| NZ | HZ | sing | 1.00Å | 1.00Å | |
| OXT | HXT | sing | 0.95Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C23 | C20 | 98.4° | 98.4° |
| C23 | C21 | C22 | 110.2° | 110.2° |
| C23 | C21 | H211 | 109.3° | 109.3° |
| C23 | C21 | H212 | 109.3° | 109.3° |
| C21 | C23 | H231 | 112.2° | 112.2° |
| C21 | C23 | H232 | 112.1° | 112.1° |
| C23 | C20 | C19 | 156.1° | 156.1° |
| C20 | C23 | H231 | 112.2° | 112.2° |
| C20 | C23 | H232 | 112.2° | 112.2° |
| C21 | C22 | C15 | 128.5° | 128.5° |
| C21 | C22 | C16 | 118.4° | 118.4° |
| C22 | C21 | H211 | 109.3° | 109.3° |
| C22 | C21 | H212 | 109.3° | 109.3° |
| C21 | C22 | H22 | 113.2° | 113.2° |
| C20 | C19 | C18 | 156.4° | 156.4° |
| C15 | C22 | C16 | 60.2° | 60.2° |
| C22 | C15 | C16 | 59.5° | 59.5° |
| C22 | C15 | C14 | 133.3° | 133.3° |
| C22 | C15 | H15 | 112.7° | 112.7° |
| C15 | C22 | H22 | 112.7° | 112.7° |
| C22 | C16 | C15 | 60.3° | 60.3° |
| C22 | C16 | C17 | 118.4° | 118.4° |
| C16 | C22 | H22 | 113.0° | 113.0° |
| C22 | C16 | H16 | 116.6° | 116.6° |
| C19 | C18 | C17 | 103.2° | 103.2° |
| C19 | C18 | H181 | 111.0° | 111.0° |
| C19 | C18 | H182 | 111.0° | 111.0° |
| C16 | C15 | C14 | 109.7° | 109.7° |
| C15 | C16 | C17 | 117.3° | 117.3° |
| C16 | C15 | H15 | 112.7° | 112.7° |
| C15 | C16 | H16 | 116.4° | 116.4° |
| C15 | C14 | O13 | 126.9° | 126.9° |
| C14 | C15 | H15 | 113.0° | 113.0° |
| C15 | C14 | H141 | 104.9° | 104.9° |
| C15 | C14 | H142 | 105.0° | 105.0° |
| C16 | C17 | C18 | 113.6° | 113.6° |
| C16 | C17 | H171 | 108.4° | 108.4° |
| C16 | C17 | H172 | 108.4° | 108.4° |
| C17 | C16 | H16 | 116.3° | 116.3° |
| C18 | C17 | H171 | 108.4° | 108.4° |
| C18 | C17 | H172 | 108.4° | 108.4° |
| C17 | C18 | H181 | 111.0° | 111.0° |
| C17 | C18 | H182 | 111.0° | 111.0° |
| C14 | O13 | C11 | 120.4° | 120.4° |
| O13 | C14 | H141 | 105.0° | 105.0° |
| O13 | C14 | H142 | 105.0° | 105.0° |
| O13 | C11 | NZ | 125.0° | 125.0° |
| O13 | C11 | O12 | 121.0° | 121.0° |
| NZ | CE | CD | 112.9° | 112.9° |
| CE | NZ | C11 | 119.9° | 119.9° |
| NZ | CE | HE2 | 108.6° | 108.6° |
| NZ | CE | HE3 | 108.6° | 108.6° |
| CE | NZ | HZ | 120.0° | 120.0° |
| CE | CD | CG | 112.4° | 112.4° |
| CE | CD | HD2 | 108.8° | 108.8° |
| CE | CD | HD3 | 108.7° | 108.7° |
| CD | CE | HE2 | 108.6° | 108.6° |
| CD | CE | HE3 | 108.6° | 108.6° |
| NZ | C11 | O12 | 114.0° | 114.0° |
| C11 | NZ | HZ | 120.0° | 120.0° |
| CD | CG | CB | 111.2° | 111.2° |
| CD | CG | HG2 | 109.0° | 109.0° |
| CD | CG | HG3 | 109.0° | 109.0° |
| CG | CD | HD2 | 108.7° | 108.7° |
| CG | CD | HD3 | 108.7° | 108.7° |
| CG | CB | CA | 114.0° | 114.0° |
| CG | CB | HB2 | 108.3° | 108.3° |
| CG | CB | HB3 | 108.3° | 108.3° |
| CB | CG | HG2 | 109.1° | 109.1° |
| CB | CG | HG3 | 109.0° | 109.0° |
| O | C | CA | 121.2° | 121.2° |
| O | C | OXT | 120.2° | 120.2° |
| CB | CA | C | 114.5° | 114.5° |
| CB | CA | N | 112.0° | 112.0° |
| CB | CA | HA | 107.4° | 107.4° |
| CA | CB | HB2 | 108.3° | 108.3° |
| CA | CB | HB3 | 108.3° | 108.3° |
| C | CA | N | 106.7° | 106.7° |
| CA | C | OXT | 118.6° | 118.6° |
| C | CA | HA | 107.4° | 107.4° |
| N | CA | HA | 108.6° | 108.6° |
| CA | N | H | 109.5° | 109.5° |
| CA | N | H2 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H211 | C21 | H212 | 109.4° | 109.4° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.5° | 109.5° |
| HD2 | CD | HD3 | 109.5° | 109.5° |
| HE2 | CE | HE3 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C23 | C20 | H231 | 118.2° | 118.2° |
| C21 | C23 | C20 | H232 | 118.2° | 118.2° |
| C23 | C21 | C22 | H211 | 120.1° | 120.1° |
| C23 | C21 | C22 | H212 | 120.1° | 120.1° |
| C21 | C23 | C20 | C19 | 9.5° | 9.5° |
| C23 | C21 | C22 | C15 | 162.4° | 162.4° |
| C23 | C21 | C22 | C16 | 89.3° | 89.3° |
| C23 | C21 | H211 | H212 | 119.6° | 119.6° |
| C23 | C21 | C22 | H22 | 46.2° | 46.2° |
| C21 | C23 | H231 | H232 | 125.1° | 125.1° |
| C20 | C23 | C21 | C22 | 75.1° | 75.1° |
| C23 | C20 | C19 | C18 | 5.9° | 5.9° |
| C20 | C23 | C21 | H211 | 164.7° | 164.7° |
| C20 | C23 | C21 | H212 | 45.0° | 45.0° |
| C20 | C23 | H231 | H232 | 125.2° | 125.2° |
| C21 | C22 | C15 | C16 | 104.2° | 104.2° |
| C21 | C22 | C15 | H22 | 151.5° | 151.5° |
| C21 | C22 | C16 | H22 | 135.6° | 135.6° |
| C21 | C22 | C15 | C14 | 15.3° | 15.3° |
| C21 | C22 | C16 | C17 | 13.4° | 13.4° |
| C21 | C22 | C15 | H15 | 152.0° | 152.0° |
| C22 | C21 | H211 | H212 | 119.6° | 119.6° |
| C21 | C22 | C16 | H16 | 133.0° | 133.0° |
| C22 | C21 | C23 | H231 | 166.7° | 166.7° |
| C22 | C21 | C23 | H232 | 43.0° | 43.0° |
| C20 | C19 | C18 | C17 | 5.1° | 5.1° |
| C20 | C19 | C18 | H181 | 124.1° | 124.1° |
| C20 | C19 | C18 | H182 | 113.9° | 113.9° |
| C19 | C20 | C23 | H231 | 127.6° | 127.6° |
| C19 | C20 | C23 | H232 | 108.7° | 108.7° |
| C15 | C22 | C16 | H22 | 104.0° | 104.0° |
| C22 | C15 | C16 | C14 | 129.4° | 129.4° |
| C22 | C15 | C16 | H15 | 103.8° | 103.8° |
| C22 | C15 | C14 | H15 | 167.2° | 167.2° |
| C15 | C22 | C16 | C17 | 107.0° | 107.0° |
| C22 | C15 | C14 | O13 | 155.1° | 155.1° |
| C15 | C22 | C21 | H211 | 77.5° | 77.5° |
| C15 | C22 | C21 | H212 | 42.3° | 42.3° |
| C22 | C15 | C14 | H141 | 82.6° | 82.6° |
| C22 | C15 | C14 | H142 | 32.8° | 32.8° |
| C15 | C22 | C16 | H16 | 106.6° | 106.6° |
| C22 | C16 | C17 | H16 | 146.4° | 146.4° |
| C22 | C16 | C17 | C18 | 94.4° | 94.4° |
| C22 | C16 | C17 | H171 | 145.0° | 144.9° |
| C22 | C16 | C17 | H172 | 26.2° | 26.2° |
| C16 | C22 | C21 | H211 | 150.6° | 150.6° |
| C16 | C22 | C21 | H212 | 30.8° | 30.8° |
| C19 | C18 | C17 | C16 | 57.7° | 57.7° |
| C19 | C18 | C17 | H181 | 119.0° | 119.0° |
| C19 | C18 | C17 | H182 | 119.0° | 119.0° |
| C19 | C18 | C17 | H171 | 178.3° | 178.3° |
| C19 | C18 | C17 | H172 | 63.0° | 63.0° |
| C19 | C18 | H181 | H182 | 122.9° | 122.9° |
| C16 | C15 | C14 | H15 | 126.6° | 126.6° |
| C15 | C16 | C17 | H16 | 144.4° | 144.4° |
| C15 | C16 | C17 | C18 | 163.6° | 163.6° |
| C16 | C15 | C14 | O13 | 88.9° | 88.9° |
| C15 | C16 | C17 | H171 | 75.8° | 75.7° |
| C15 | C16 | C17 | H172 | 43.0° | 43.0° |
| C16 | C15 | C14 | H141 | 148.8° | 148.8° |
| C16 | C15 | C14 | H142 | 33.4° | 33.4° |
| C14 | C15 | C16 | C17 | 20.7° | 20.7° |
| C15 | C14 | O13 | H141 | 122.3° | 122.3° |
| C15 | C14 | O13 | H142 | 122.3° | 122.3° |
| C15 | C14 | O13 | C11 | 10.5° | 10.5° |
| C14 | C15 | C22 | H22 | 166.7° | 166.7° |
| C15 | C14 | H141 | H142 | 112.2° | 112.2° |
| C14 | C15 | C16 | H16 | 123.6° | 123.6° |
| C16 | C17 | C18 | H171 | 120.6° | 120.6° |
| C16 | C17 | C18 | H172 | 120.6° | 120.6° |
| C17 | C16 | C15 | H15 | 147.5° | 147.5° |
| C16 | C17 | H171 | H172 | 118.1° | 118.1° |
| C17 | C16 | C22 | H22 | 149.0° | 149.0° |
| C16 | C17 | C18 | H181 | 176.7° | 176.6° |
| C16 | C17 | C18 | H182 | 61.3° | 61.3° |
| C18 | C17 | H171 | H172 | 118.1° | 118.1° |
| C18 | C17 | C16 | H16 | 52.0° | 52.0° |
| C17 | C18 | H181 | H182 | 122.9° | 122.9° |
| C14 | O13 | C11 | NZ | 57.3° | 57.3° |
| C14 | O13 | C11 | O12 | 123.0° | 123.0° |
| O13 | C14 | C15 | H15 | 37.7° | 37.7° |
| O13 | C14 | H141 | H142 | 112.2° | 112.2° |
| O13 | C11 | NZ | CE | 162.6° | 162.6° |
| O13 | C11 | NZ | O12 | 179.7° | 179.7° |
| C11 | O13 | C14 | H141 | 132.8° | 132.8° |
| C11 | O13 | C14 | H142 | 111.8° | 111.8° |
| O13 | C11 | NZ | HZ | 17.4° | 17.4° |
| NZ | CE | CD | HE2 | 120.5° | 120.5° |
| NZ | CE | CD | HE3 | 120.5° | 120.5° |
| CE | NZ | C11 | HZ | 180.0° | 180.0° |
| CE | NZ | C11 | O12 | 17.7° | 17.7° |
| NZ | CE | CD | CG | 135.6° | 135.6° |
| NZ | CE | CD | HD2 | 104.0° | 104.0° |
| NZ | CE | CD | HD3 | 15.2° | 15.2° |
| NZ | CE | HE2 | HE3 | 118.4° | 118.4° |
| CD | CE | NZ | C11 | 74.3° | 74.3° |
| CE | CD | CG | HD2 | 120.4° | 120.4° |
| CE | CD | CG | HD3 | 120.4° | 120.4° |
| CE | CD | CG | CB | 132.4° | 132.4° |
| CE | CD | CG | HG2 | 12.1° | 12.1° |
| CE | CD | CG | HG3 | 107.3° | 107.3° |
| CE | CD | HD2 | HD3 | 118.7° | 118.7° |
| CD | CE | HE2 | HE3 | 118.5° | 118.4° |
| CD | CE | NZ | HZ | 105.7° | 105.7° |
| C11 | NZ | CE | HE2 | 165.2° | 165.2° |
| C11 | NZ | CE | HE3 | 46.2° | 46.2° |
| O12 | C11 | NZ | HZ | 162.3° | 162.3° |
| CD | CG | CB | HG2 | 120.3° | 120.3° |
| CD | CG | CB | HG3 | 120.2° | 120.2° |
| CD | CG | CB | CA | 105.9° | 105.9° |
| CD | CG | CB | HB2 | 133.4° | 133.4° |
| CD | CG | CB | HB3 | 14.7° | 14.7° |
| CD | CG | HG2 | HG3 | 119.2° | 119.2° |
| CG | CD | HD2 | HD3 | 118.7° | 118.7° |
| CG | CD | CE | HE2 | 15.1° | 15.1° |
| CG | CD | CE | HE3 | 103.9° | 103.9° |
| CG | CB | CA | HB2 | 120.7° | 120.7° |
| CG | CB | CA | HB3 | 120.7° | 120.7° |
| CG | CB | CA | C | 86.9° | 86.9° |
| CG | CB | CA | N | 151.4° | 151.4° |
| CG | CB | CA | HA | 32.3° | 32.3° |
| CG | CB | HB2 | HB3 | 117.9° | 117.9° |
| CB | CG | HG2 | HG3 | 119.2° | 119.2° |
| CB | CG | CD | HD2 | 107.2° | 107.2° |
| CB | CG | CD | HD3 | 12.0° | 12.0° |
| O | C | CA | CB | 23.5° | 23.5° |
| O | C | CA | OXT | 179.0° | 179.0° |
| O | C | CA | N | 148.0° | 148.0° |
| O | C | CA | HA | 95.6° | 95.6° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CB | CA | C | N | 124.5° | 124.5° |
| CB | CA | C | HA | 119.2° | 119.2° |
| CB | CA | N | HA | 118.4° | 118.4° |
| CB | CA | C | OXT | 157.5° | 157.5° |
| CA | CB | HB2 | HB3 | 117.9° | 117.9° |
| CA | CB | CG | HG2 | 14.3° | 14.3° |
| CA | CB | CG | HG3 | 133.8° | 133.8° |
| CB | CA | N | H | 180.0° | 180.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| C | CA | N | HA | 115.5° | 115.5° |
| C | CA | CB | HB2 | 33.7° | 33.7° |
| C | CA | CB | HB3 | 152.4° | 152.4° |
| C | CA | N | H | 53.9° | 53.9° |
| C | CA | N | H2 | 66.1° | 66.1° |
| CA | C | OXT | HXT | 179.0° | 179.0° |
| N | CA | C | OXT | 33.0° | 33.0° |
| N | CA | CB | HB2 | 87.9° | 87.9° |
| N | CA | CB | HB3 | 30.7° | 30.7° |
| CA | N | H | H2 | 120.0° | 120.0° |
| OXT | C | CA | HA | 83.3° | 83.3° |
| H15 | C15 | C22 | H22 | 0.5° | 0.5° |
| H15 | C15 | C14 | H141 | 84.6° | 84.6° |
| H15 | C15 | C14 | H142 | 160.0° | 160.0° |
| H15 | C15 | C16 | H16 | 3.2° | 3.2° |
| H171 | C17 | C16 | H16 | 68.6° | 68.7° |
| H171 | C17 | C18 | H181 | 62.7° | 62.7° |
| H171 | C17 | C18 | H182 | 59.3° | 59.3° |
| H172 | C17 | C16 | H16 | 172.6° | 172.6° |
| H172 | C17 | C18 | H181 | 56.0° | 56.0° |
| H172 | C17 | C18 | H182 | 178.1° | 178.1° |
| H211 | C21 | C22 | H22 | 73.9° | 73.9° |
| H211 | C21 | C23 | H231 | 46.6° | 46.6° |
| H211 | C21 | C23 | H232 | 77.1° | 77.1° |
| H212 | C21 | C22 | H22 | 166.4° | 166.4° |
| H212 | C21 | C23 | H231 | 73.2° | 73.2° |
| H212 | C21 | C23 | H232 | 163.2° | 163.2° |
| H22 | C22 | C16 | H16 | 2.7° | 2.7° |
| HA | CA | CB | HB2 | 152.9° | 152.9° |
| HA | CA | CB | HB3 | 88.4° | 88.4° |
| HA | CA | N | H | 61.6° | 61.6° |
| HA | CA | N | H2 | 178.4° | 178.4° |
| HB2 | CB | CG | HG2 | 106.4° | 106.4° |
| HB2 | CB | CG | HG3 | 13.1° | 13.1° |
| HB3 | CB | CG | HG2 | 135.0° | 135.0° |
| HB3 | CB | CG | HG3 | 105.5° | 105.5° |
| HG2 | CG | CD | HD2 | 132.6° | 132.6° |
| HG2 | CG | CD | HD3 | 108.3° | 108.3° |
| HG3 | CG | CD | HD2 | 13.1° | 13.1° |
| HG3 | CG | CD | HD3 | 132.2° | 132.2° |
| HD2 | CD | CE | HE2 | 135.5° | 135.5° |
| HD2 | CD | CE | HE3 | 16.5° | 16.5° |
| HD3 | CD | CE | HE2 | 105.3° | 105.3° |
| HD3 | CD | CE | HE3 | 135.6° | 135.6° |
| HE2 | CE | NZ | HZ | 14.8° | 14.8° |
| HE3 | CE | NZ | HZ | 133.8° | 133.8° |
