2RK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N25 | C24 | sing | 1.35Å | 1.35Å | |
| N25 | C26 | sing | 1.35Å | 1.35Å | |
| C24 | C23 | doub | 1.36Å | 1.35Å | |
| C26 | C27 | doub | 1.36Å | 1.35Å | |
| C23 | C22 | sing | 1.41Å | 1.39Å | |
| C27 | C22 | sing | 1.41Å | 1.38Å | |
| C22 | C21 | doub | 1.47Å | 1.41Å | |
| C21 | N28 | sing | 1.38Å | 1.35Å | |
| C21 | C09 | sing | 1.39Å | 1.40Å | |
| C12 | C11 | doub | 1.36Å | 1.42Å | |
| C12 | C13 | sing | 1.40Å | 1.39Å | |
| C11 | C10 | sing | 1.40Å | 1.43Å | |
| O20 | N19 | doub | 1.22Å | 1.22Å | |
| N19 | C14 | sing | 1.30Å | 1.30Å | |
| N28 | C07 | sing | 1.35Å | 1.36Å | |
| C13 | C14 | doub | 1.47Å | 1.36Å | |
| C13 | C17 | sing | 1.39Å | 1.37Å | |
| C14 | C15 | sing | 1.51Å | 1.45Å | |
| C10 | C09 | doub | 1.48Å | 1.40Å | |
| C10 | C18 | sing | 1.40Å | 1.42Å | |
| C09 | N08 | sing | 1.34Å | 1.33Å | |
| C17 | C18 | doub | 1.37Å | 1.40Å | |
| C17 | C16 | sing | 1.51Å | 1.46Å | |
| C15 | C16 | sing | 1.54Å | 1.53Å | |
| C07 | N08 | doub | 1.30Å | 1.33Å | |
| C07 | C06 | sing | 1.51Å | 1.49Å | |
| C01 | C06 | sing | 1.53Å | 1.56Å | |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C02 | N03 | sing | 1.47Å | 1.47Å | |
| N03 | C04 | sing | 1.47Å | 1.48Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| N03 | H031 | sing | 1.01Å | 1.00Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| N25 | H1 | sing | 0.97Å | 1.00Å | |
| N28 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | N25 | C26 | 120.7° | 121.6° |
| N25 | C24 | C23 | 119.6° | 120.7° |
| N25 | C24 | H241 | 120.2° | 119.6° |
| C24 | N25 | H1 | 119.7° | 119.2° |
| N25 | C26 | C27 | 120.8° | 120.7° |
| N25 | C26 | H261 | 119.6° | 119.6° |
| C26 | N25 | H1 | 119.7° | 119.3° |
| C24 | C23 | C22 | 121.5° | 119.2° |
| C24 | C23 | H231 | 119.2° | 120.4° |
| C23 | C24 | H241 | 120.2° | 119.6° |
| C26 | C27 | C22 | 120.1° | 119.2° |
| C27 | C26 | H261 | 119.6° | 119.7° |
| C26 | C27 | H271 | 119.9° | 120.3° |
| C23 | C22 | C27 | 117.3° | 118.5° |
| C23 | C22 | C21 | 121.2° | 120.7° |
| C22 | C23 | H231 | 119.3° | 120.4° |
| C27 | C22 | C21 | 121.5° | 120.7° |
| C22 | C27 | H271 | 119.9° | 120.4° |
| C22 | C21 | N28 | 122.6° | 127.0° |
| C22 | C21 | C09 | 132.4° | 127.0° |
| N28 | C21 | C09 | 104.9° | 106.0° |
| C21 | N28 | C07 | 109.8° | 107.4° |
| C21 | N28 | H2 | 125.1° | 126.3° |
| C21 | C09 | C10 | 130.5° | 126.4° |
| C21 | C09 | N08 | 108.5° | 107.2° |
| C11 | C12 | C13 | 120.6° | 120.2° |
| C12 | C11 | C10 | 120.8° | 120.0° |
| C12 | C11 | H111 | 119.6° | 120.0° |
| C11 | C12 | H121 | 119.7° | 119.9° |
| C12 | C13 | C14 | 131.2° | 129.8° |
| C12 | C13 | C17 | 118.8° | 119.6° |
| C13 | C12 | H121 | 119.7° | 119.9° |
| C11 | C10 | C09 | 122.1° | 120.0° |
| C11 | C10 | C18 | 116.8° | 119.9° |
| C10 | C11 | H111 | 119.6° | 120.0° |
| O20 | N19 | C14 | 121.0° | 120.0° |
| N19 | C14 | C13 | 127.2° | 126.0° |
| N19 | C14 | C15 | 121.8° | 126.0° |
| N28 | C07 | N08 | 107.6° | 109.7° |
| N28 | C07 | C06 | 127.8° | 125.1° |
| C07 | N28 | H2 | 125.1° | 126.3° |
| C14 | C13 | C17 | 109.9° | 110.6° |
| C13 | C14 | C15 | 111.0° | 108.1° |
| C13 | C17 | C18 | 122.7° | 120.1° |
| C13 | C17 | C16 | 111.0° | 109.6° |
| C14 | C15 | C16 | 104.3° | 105.4° |
| C14 | C15 | H152 | 110.8° | 110.3° |
| C14 | C15 | H151 | 110.7° | 110.3° |
| C09 | C10 | C18 | 121.0° | 120.1° |
| C10 | C09 | N08 | 121.1° | 126.4° |
| C10 | C18 | C17 | 120.2° | 120.2° |
| C10 | C18 | H181 | 119.9° | 119.9° |
| C09 | N08 | C07 | 109.1° | 109.7° |
| C18 | C17 | C16 | 126.3° | 130.3° |
| C17 | C18 | H181 | 119.9° | 119.9° |
| C17 | C16 | C15 | 103.6° | 106.3° |
| C17 | C16 | H162 | 110.9° | 110.1° |
| C17 | C16 | H161 | 110.9° | 110.1° |
| C16 | C15 | H152 | 110.7° | 110.3° |
| C16 | C15 | H151 | 110.8° | 110.3° |
| C15 | C16 | H162 | 110.9° | 110.0° |
| C15 | C16 | H161 | 110.9° | 110.1° |
| N08 | C07 | C06 | 124.6° | 125.2° |
| C07 | C06 | C01 | 113.5° | 109.5° |
| C07 | C06 | C05 | 110.3° | 109.5° |
| C07 | C06 | H061 | 107.8° | 109.6° |
| C06 | C01 | C02 | 110.5° | 109.3° |
| C01 | C06 | C05 | 110.9° | 109.2° |
| C06 | C01 | H011 | 109.2° | 109.5° |
| C06 | C01 | H012 | 109.2° | 109.5° |
| C01 | C06 | H061 | 107.0° | 109.5° |
| C01 | C02 | N03 | 111.6° | 109.5° |
| C02 | C01 | H011 | 109.2° | 109.5° |
| C02 | C01 | H012 | 109.2° | 109.5° |
| C01 | C02 | H022 | 108.9° | 109.5° |
| C01 | C02 | H021 | 109.0° | 109.5° |
| C06 | C05 | C04 | 111.8° | 109.3° |
| C06 | C05 | H051 | 108.9° | 109.5° |
| C06 | C05 | H052 | 108.9° | 109.6° |
| C05 | C06 | H061 | 107.1° | 109.6° |
| C05 | C04 | N03 | 110.5° | 109.5° |
| C05 | C04 | H041 | 109.2° | 109.4° |
| C05 | C04 | H042 | 109.2° | 109.4° |
| C04 | C05 | H051 | 108.9° | 109.5° |
| C04 | C05 | H052 | 108.9° | 109.5° |
| C02 | N03 | C04 | 112.6° | 111.2° |
| N03 | C02 | H022 | 108.9° | 109.5° |
| N03 | C02 | H021 | 108.9° | 109.4° |
| C02 | N03 | H031 | 108.7° | 111.0° |
| C04 | N03 | H031 | 108.7° | 111.0° |
| N03 | C04 | H041 | 109.2° | 109.5° |
| N03 | C04 | H042 | 109.2° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H022 | C02 | H021 | 109.4° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.5° | 110.3° |
| H162 | C16 | H161 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | N25 | C26 | H1 | 180.0° | 180.0° |
| N25 | C24 | C23 | H241 | 180.0° | 179.9° |
| C24 | N25 | C26 | C27 | 0.5° | 0.3° |
| N25 | C24 | C23 | C22 | 0.8° | 0.1° |
| N25 | C24 | C23 | H231 | 179.2° | 180.0° |
| C24 | N25 | C26 | H261 | 179.5° | 179.9° |
| C26 | N25 | C24 | C23 | 0.2° | 0.1° |
| N25 | C26 | C27 | H261 | 180.0° | 179.8° |
| N25 | C26 | C27 | C22 | 0.2° | 0.6° |
| C26 | N25 | C24 | H241 | 179.8° | 180.0° |
| N25 | C26 | C27 | H271 | 179.8° | 180.0° |
| C24 | C23 | C22 | H231 | 180.0° | 179.9° |
| C24 | C23 | C22 | C27 | 1.4° | 0.3° |
| C24 | C23 | C22 | C21 | 179.6° | 180.0° |
| C23 | C24 | N25 | H1 | 179.8° | 179.9° |
| C26 | C27 | C22 | C23 | 1.1° | 0.6° |
| C26 | C27 | C22 | H271 | 180.0° | 179.4° |
| C26 | C27 | C22 | C21 | 179.3° | 179.7° |
| C27 | C26 | N25 | H1 | 179.5° | 179.7° |
| C23 | C22 | C27 | C21 | 178.2° | 179.7° |
| C23 | C22 | C21 | N28 | 142.8° | 26.3° |
| C23 | C22 | C21 | C09 | 35.1° | 153.3° |
| C22 | C23 | C24 | H241 | 179.2° | 180.0° |
| C23 | C22 | C27 | H271 | 178.9° | 180.0° |
| C27 | C22 | C21 | N28 | 35.3° | 153.4° |
| C27 | C22 | C21 | C09 | 146.8° | 27.0° |
| C27 | C22 | C23 | H231 | 178.6° | 179.8° |
| C22 | C27 | C26 | H261 | 179.8° | 179.7° |
| C22 | C21 | N28 | C09 | 178.4° | 179.6° |
| C22 | C21 | N28 | C07 | 178.0° | 180.0° |
| C22 | C21 | C09 | C10 | 2.8° | 0.1° |
| C22 | C21 | C09 | N08 | 177.9° | 179.9° |
| C21 | C22 | C23 | H231 | 0.4° | 0.1° |
| C21 | C22 | C27 | H271 | 0.7° | 0.3° |
| C22 | C21 | N28 | H2 | 2.0° | 0.4° |
| C21 | N28 | C07 | H2 | 180.0° | 179.6° |
| N28 | C21 | C09 | C10 | 179.1° | 179.8° |
| N28 | C21 | C09 | N08 | 0.2° | 0.2° |
| C21 | N28 | C07 | N08 | 0.4° | 0.4° |
| C21 | N28 | C07 | C06 | 178.5° | 179.9° |
| C21 | C09 | C10 | C11 | 32.5° | 26.6° |
| C09 | C21 | N28 | C07 | 0.4° | 0.4° |
| C21 | C09 | C10 | N08 | 179.3° | 180.0° |
| C21 | C09 | C10 | C18 | 148.8° | 153.2° |
| C21 | C09 | N08 | C07 | 0.0° | 0.0° |
| C09 | C21 | N28 | H2 | 179.6° | 180.0° |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 177.6° | 179.9° |
| C11 | C12 | C13 | C17 | 0.7° | 0.1° |
| C12 | C11 | C10 | C09 | 178.1° | 180.0° |
| C12 | C11 | C10 | C18 | 0.7° | 0.2° |
| C13 | C12 | C11 | C10 | 1.9° | 0.1° |
| C12 | C13 | C14 | N19 | 0.9° | 0.1° |
| C12 | C13 | C14 | C17 | 178.4° | 180.0° |
| C12 | C13 | C14 | C15 | 179.0° | 180.0° |
| C12 | C13 | C17 | C18 | 1.8° | 0.3° |
| C12 | C13 | C17 | C16 | 179.8° | 180.0° |
| C13 | C12 | C11 | H111 | 178.1° | 180.0° |
| C11 | C10 | C09 | C18 | 178.7° | 179.8° |
| C11 | C10 | C09 | N08 | 146.8° | 153.4° |
| C11 | C10 | C18 | C17 | 1.7° | 0.6° |
| C10 | C11 | C12 | H121 | 178.1° | 180.0° |
| C11 | C10 | C18 | H181 | 178.3° | 179.7° |
| O20 | N19 | C14 | C13 | 168.9° | 0.0° |
| O20 | N19 | C14 | C15 | 11.2° | 180.0° |
| N19 | C14 | C13 | C15 | 179.9° | 180.0° |
| N19 | C14 | C13 | C17 | 177.5° | 180.0° |
| N19 | C14 | C15 | C16 | 177.6° | 180.0° |
| N19 | C14 | C15 | H152 | 63.2° | 61.0° |
| N19 | C14 | C15 | H151 | 58.4° | 61.1° |
| N28 | C07 | N08 | C09 | 0.2° | 0.3° |
| N28 | C07 | N08 | C06 | 178.2° | 179.6° |
| N28 | C07 | C06 | C01 | 62.3° | 154.7° |
| N28 | C07 | C06 | C05 | 62.8° | 85.7° |
| N28 | C07 | C06 | H061 | 179.4° | 34.6° |
| C14 | C13 | C17 | C18 | 179.6° | 179.7° |
| C14 | C13 | C17 | C16 | 1.6° | 0.0° |
| C13 | C14 | C15 | C16 | 2.5° | 0.0° |
| C14 | C13 | C12 | H121 | 2.4° | 0.0° |
| C13 | C14 | C15 | H152 | 116.7° | 119.0° |
| C13 | C14 | C15 | H151 | 121.7° | 119.0° |
| C17 | C13 | C14 | C15 | 2.6° | 0.0° |
| C13 | C17 | C18 | C10 | 3.0° | 0.6° |
| C13 | C17 | C18 | C16 | 177.7° | 179.6° |
| C13 | C17 | C16 | C15 | 0.0° | 0.0° |
| C17 | C13 | C12 | H121 | 179.3° | 180.0° |
| C13 | C17 | C16 | H162 | 119.0° | 119.2° |
| C13 | C17 | C16 | H161 | 119.0° | 119.2° |
| C13 | C17 | C18 | H181 | 177.0° | 179.7° |
| C14 | C15 | C16 | C17 | 1.4° | 0.0° |
| C14 | C15 | C16 | H152 | 119.2° | 119.0° |
| C14 | C15 | C16 | H151 | 119.2° | 118.9° |
| C14 | C15 | H152 | H151 | 122.4° | 122.0° |
| C14 | C15 | C16 | H162 | 117.6° | 119.2° |
| C14 | C15 | C16 | H161 | 120.5° | 119.3° |
| C09 | C10 | C18 | C17 | 179.5° | 179.6° |
| C10 | C09 | N08 | C07 | 179.4° | 179.9° |
| C09 | C10 | C11 | H111 | 1.9° | 0.1° |
| C09 | C10 | C18 | H181 | 0.5° | 0.0° |
| C18 | C10 | C09 | N08 | 32.0° | 26.8° |
| C10 | C18 | C17 | H181 | 180.0° | 179.7° |
| C10 | C18 | C17 | C16 | 179.2° | 179.8° |
| C18 | C10 | C11 | H111 | 179.3° | 179.7° |
| C09 | N08 | C07 | C06 | 178.4° | 179.9° |
| C18 | C17 | C16 | C15 | 177.9° | 179.7° |
| C18 | C17 | C16 | H162 | 63.0° | 61.2° |
| C18 | C17 | C16 | H161 | 58.9° | 60.4° |
| C17 | C16 | C15 | H162 | 119.1° | 119.2° |
| C17 | C16 | C15 | H161 | 119.0° | 119.3° |
| C17 | C16 | C15 | H152 | 117.8° | 118.9° |
| C17 | C16 | C15 | H151 | 120.6° | 119.0° |
| C17 | C16 | H162 | H161 | 122.7° | 121.6° |
| C16 | C17 | C18 | H181 | 0.8° | 0.1° |
| C16 | C15 | H152 | H151 | 122.4° | 122.0° |
| C15 | C16 | H162 | H161 | 122.7° | 121.5° |
| N08 | C07 | C06 | C01 | 119.9° | 24.9° |
| N08 | C07 | C06 | C05 | 115.0° | 94.8° |
| N08 | C07 | C06 | H061 | 1.6° | 145.0° |
| N08 | C07 | N28 | H2 | 179.6° | 180.0° |
| C07 | C06 | C01 | C05 | 124.8° | 119.9° |
| C07 | C06 | C01 | H061 | 118.8° | 120.2° |
| C07 | C06 | C01 | C02 | 175.7° | 177.5° |
| C07 | C06 | C05 | H061 | 117.1° | 120.3° |
| C07 | C06 | C05 | C04 | 178.3° | 177.5° |
| C07 | C06 | C01 | H011 | 64.1° | 57.6° |
| C07 | C06 | C01 | H012 | 55.5° | 62.5° |
| C07 | C06 | C05 | H051 | 58.0° | 62.5° |
| C07 | C06 | C05 | H052 | 61.3° | 57.6° |
| C06 | C07 | N28 | H2 | 1.5° | 0.3° |
| C06 | C01 | C02 | H011 | 120.2° | 120.0° |
| C06 | C01 | C02 | H012 | 120.2° | 120.0° |
| C01 | C06 | C05 | H061 | 116.3° | 119.9° |
| C01 | C06 | C05 | C04 | 51.7° | 57.6° |
| C06 | C01 | C02 | N03 | 54.6° | 59.2° |
| C06 | C01 | H011 | H012 | 119.5° | 120.1° |
| C06 | C01 | C02 | H022 | 65.8° | 60.8° |
| C06 | C01 | C02 | H021 | 174.9° | 179.2° |
| C01 | C06 | C05 | H051 | 68.6° | 177.6° |
| C01 | C06 | C05 | H052 | 172.0° | 62.3° |
| C02 | C01 | C06 | C05 | 50.9° | 57.7° |
| C01 | C02 | N03 | H022 | 120.3° | 120.0° |
| C01 | C02 | N03 | H021 | 120.4° | 120.0° |
| C01 | C02 | N03 | C04 | 59.4° | 61.7° |
| C02 | C01 | H011 | H012 | 119.5° | 120.0° |
| C01 | C02 | H022 | H021 | 119.0° | 120.0° |
| C01 | C02 | N03 | H031 | 179.9° | 174.2° |
| C02 | C01 | C06 | H061 | 65.5° | 62.3° |
| C06 | C05 | C04 | H051 | 120.4° | 120.0° |
| C06 | C05 | C04 | H052 | 120.4° | 120.0° |
| C06 | C05 | C04 | N03 | 55.0° | 59.2° |
| C05 | C06 | C01 | H011 | 171.1° | 62.3° |
| C05 | C06 | C01 | H012 | 69.3° | 177.6° |
| C06 | C05 | C04 | H041 | 175.1° | 60.9° |
| C06 | C05 | C04 | H042 | 65.2° | 179.2° |
| C06 | C05 | H051 | H052 | 119.0° | 120.1° |
| C05 | C04 | N03 | C02 | 58.9° | 61.7° |
| C05 | C04 | N03 | H041 | 120.1° | 120.0° |
| C05 | C04 | N03 | H042 | 120.2° | 120.0° |
| C05 | C04 | N03 | H031 | 179.3° | 174.2° |
| C05 | C04 | H041 | H042 | 119.5° | 119.9° |
| C04 | C05 | H051 | H052 | 118.9° | 120.0° |
| C04 | C05 | C06 | H061 | 64.6° | 62.2° |
| C02 | N03 | C04 | H031 | 120.5° | 124.0° |
| N03 | C02 | C01 | H011 | 174.8° | 60.8° |
| N03 | C02 | C01 | H012 | 65.6° | 179.2° |
| N03 | C02 | H022 | H021 | 119.0° | 119.9° |
| C02 | N03 | C04 | H041 | 179.0° | 58.3° |
| C02 | N03 | C04 | H042 | 61.3° | 178.3° |
| C04 | N03 | C02 | H022 | 61.0° | 58.3° |
| C04 | N03 | C02 | H021 | 179.7° | 178.2° |
| N03 | C04 | H041 | H042 | 119.6° | 120.0° |
| N03 | C04 | C05 | H051 | 65.4° | 179.2° |
| N03 | C04 | C05 | H052 | 175.3° | 60.8° |
| H011 | C01 | C02 | H022 | 54.4° | 179.2° |
| H011 | C01 | C02 | H021 | 64.9° | 59.2° |
| H011 | C01 | C06 | H061 | 54.7° | 177.8° |
| H012 | C01 | C02 | H022 | 174.1° | 59.2° |
| H012 | C01 | C02 | H021 | 54.7° | 60.8° |
| H012 | C01 | C06 | H061 | 174.3° | 57.7° |
| H022 | C02 | N03 | H031 | 59.5° | 65.8° |
| H021 | C02 | N03 | H031 | 59.8° | 54.2° |
| H031 | N03 | C04 | H041 | 60.5° | 65.8° |
| H031 | N03 | C04 | H042 | 59.2° | 54.2° |
| H041 | C04 | C05 | H051 | 54.7° | 59.2° |
| H041 | C04 | C05 | H052 | 64.5° | 179.2° |
| H042 | C04 | C05 | H051 | 174.4° | 60.8° |
| H042 | C04 | C05 | H052 | 55.1° | 59.2° |
| H051 | C05 | C06 | H061 | 175.0° | 57.8° |
| H052 | C05 | C06 | H061 | 55.7° | 177.9° |
| H111 | C11 | C12 | H121 | 1.9° | 0.1° |
| H152 | C15 | C16 | H162 | 123.2° | 0.3° |
| H152 | C15 | C16 | H161 | 1.3° | 121.7° |
| H151 | C15 | C16 | H162 | 1.6° | 121.8° |
| H151 | C15 | C16 | H161 | 120.3° | 0.3° |
| H231 | C23 | C24 | H241 | 0.8° | 0.1° |
| H241 | C24 | N25 | H1 | 0.2° | 0.0° |
| H261 | C26 | C27 | H271 | 0.2° | 0.2° |
| H261 | C26 | N25 | H1 | 0.4° | 0.1° |
