PLK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C15 | N11 | sing | 1.47Å | 1.55Å | |
| C16 | C17 | sing | 1.51Å | 1.55Å | |
| C17 | O11 | sing | 1.34Å | 1.28Å | |
| C17 | O12 | doub | 1.21Å | 1.26Å | |
| N11 | C21 | sing | 1.47Å | 1.49Å | |
| C21 | C22 | sing | 1.51Å | 1.58Å | |
| C22 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | O21 | sing | 1.36Å | 1.36Å | |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C24 | N21 | sing | 1.32Å | 1.34Å | Aromatic |
| N21 | C26 | doub | 1.32Å | 1.35Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.55Å | |
| C28 | O22 | sing | 1.43Å | 1.46Å | |
| O22 | P | sing | 1.61Å | 1.64Å | |
| P | O1P | sing | 1.61Å | 1.57Å | |
| P | O2P | sing | 1.61Å | 1.57Å | |
| P | O3P | doub | 1.48Å | 1.48Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| N11 | H11 | sing | 1.01Å | 1.00Å | |
| O11 | HA | sing | 0.97Å | 0.95Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| O1P | H1P | sing | 0.97Å | 0.95Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 113.4° | 109.5° |
| C11 | C12 | C14 | 109.5° | 109.5° |
| C12 | C11 | H111 | 109.5° | 109.5° |
| C12 | C11 | H112 | 109.5° | 109.4° |
| C12 | C11 | H113 | 109.5° | 109.5° |
| C11 | C12 | H12 | 107.5° | 109.4° |
| C13 | C12 | C14 | 111.6° | 109.5° |
| C13 | C12 | H12 | 105.2° | 109.4° |
| C12 | C13 | H131 | 109.5° | 109.4° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C12 | C14 | C15 | 115.1° | 109.5° |
| C14 | C12 | H12 | 109.4° | 109.5° |
| C12 | C14 | H141 | 107.6° | 109.5° |
| C12 | C14 | H142 | 107.7° | 109.5° |
| C14 | C15 | C16 | 98.3° | 109.5° |
| C14 | C15 | N11 | 114.0° | 109.5° |
| C15 | C14 | H141 | 107.7° | 109.5° |
| C15 | C14 | H142 | 107.6° | 109.4° |
| C14 | C15 | H15 | 117.2° | 109.4° |
| C16 | C15 | N11 | 117.8° | 109.5° |
| C15 | C16 | C17 | 112.2° | 109.5° |
| C16 | C15 | H15 | 113.3° | 109.5° |
| C15 | C16 | H161 | 108.6° | 109.5° |
| C15 | C16 | H162 | 108.6° | 109.5° |
| C15 | N11 | C21 | 118.5° | 111.0° |
| N11 | C15 | H15 | 97.4° | 109.5° |
| C15 | N11 | H11 | 106.5° | 111.0° |
| C16 | C17 | O11 | 118.9° | 120.0° |
| C16 | C17 | O12 | 115.2° | 120.0° |
| C17 | C16 | H161 | 108.6° | 109.5° |
| C17 | C16 | H162 | 108.5° | 109.4° |
| O11 | C17 | O12 | 125.6° | 120.0° |
| C17 | O11 | HA | 109.5° | 117.0° |
| N11 | C21 | C22 | 118.9° | 109.5° |
| C21 | N11 | H11 | 106.6° | 111.0° |
| N11 | C21 | H211 | 106.4° | 109.5° |
| N11 | C21 | H212 | 106.4° | 109.4° |
| C21 | C22 | C23 | 124.9° | 120.8° |
| C21 | C22 | C27 | 119.7° | 120.8° |
| C22 | C21 | H211 | 106.4° | 109.5° |
| C22 | C21 | H212 | 106.4° | 109.5° |
| C23 | C22 | C27 | 115.4° | 118.4° |
| C22 | C23 | O21 | 120.6° | 120.5° |
| C22 | C23 | C24 | 121.6° | 119.1° |
| C22 | C27 | C26 | 120.8° | 119.2° |
| C22 | C27 | C28 | 122.2° | 120.4° |
| O21 | C23 | C24 | 117.8° | 120.5° |
| C23 | O21 | H21 | 109.5° | 114.1° |
| C23 | C24 | C25 | 119.8° | 119.6° |
| C23 | C24 | N21 | 121.2° | 120.7° |
| C25 | C24 | N21 | 119.0° | 119.7° |
| C24 | C25 | H251 | 109.5° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.4° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| C24 | N21 | C26 | 119.3° | 121.8° |
| N21 | C26 | C27 | 121.6° | 120.9° |
| N21 | C26 | H26 | 119.2° | 119.5° |
| C26 | C27 | C28 | 117.0° | 120.4° |
| C27 | C26 | H26 | 119.2° | 119.6° |
| C27 | C28 | O22 | 109.3° | 109.5° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.4° |
| C28 | O22 | P | 119.0° | 123.0° |
| O22 | C28 | H281 | 109.6° | 109.5° |
| O22 | C28 | H282 | 109.5° | 109.5° |
| O22 | P | O1P | 107.6° | 109.5° |
| O22 | P | O2P | 102.0° | 109.5° |
| O22 | P | O3P | 110.2° | 109.4° |
| O1P | P | O2P | 103.9° | 109.5° |
| O1P | P | O3P | 119.4° | 109.5° |
| P | O1P | H1P | 109.5° | 113.9° |
| O2P | P | O3P | 112.3° | 109.5° |
| P | O2P | H2P | 109.5° | 113.9° |
| H111 | C11 | H112 | 109.4° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.4° | 109.5° |
| H141 | C14 | H142 | 111.2° | 109.5° |
| H161 | C16 | H162 | 110.4° | 109.5° |
| H211 | C21 | H212 | 112.3° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.4° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | C14 | 124.2° | 120.0° |
| C11 | C12 | C13 | H12 | 117.2° | 120.0° |
| C11 | C12 | C14 | H12 | 117.6° | 120.0° |
| C11 | C12 | C14 | C15 | 164.6° | 66.5° |
| C12 | C11 | H111 | H112 | 120.0° | 120.0° |
| C12 | C11 | H111 | H113 | 120.0° | 120.0° |
| C12 | C11 | H112 | H113 | 120.0° | 119.9° |
| C11 | C12 | C13 | H131 | 180.0° | 60.0° |
| C11 | C12 | C13 | H132 | 60.0° | 180.0° |
| C11 | C12 | C13 | H133 | 60.0° | 59.9° |
| C11 | C12 | C14 | H141 | 44.6° | 173.5° |
| C11 | C12 | C14 | H142 | 75.4° | 53.5° |
| C13 | C12 | C14 | H12 | 116.1° | 120.0° |
| C13 | C12 | C14 | C15 | 69.0° | 173.4° |
| C13 | C12 | C11 | H111 | 180.0° | 180.0° |
| C13 | C12 | C11 | H112 | 60.0° | 60.0° |
| C13 | C12 | C11 | H113 | 60.0° | 59.9° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 119.9° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C13 | C12 | C14 | H141 | 171.0° | 53.4° |
| C13 | C12 | C14 | H142 | 51.0° | 66.6° |
| C12 | C14 | C15 | H141 | 120.0° | 120.0° |
| C12 | C14 | C15 | H142 | 120.0° | 120.0° |
| C12 | C14 | C15 | C16 | 171.6° | 177.6° |
| C12 | C14 | C15 | N11 | 46.1° | 62.4° |
| C14 | C12 | C11 | H111 | 54.7° | 60.0° |
| C14 | C12 | C11 | H112 | 174.7° | 60.1° |
| C14 | C12 | C11 | H113 | 65.3° | 180.0° |
| C14 | C12 | C13 | H131 | 55.8° | 60.1° |
| C14 | C12 | C13 | H132 | 64.2° | 60.0° |
| C14 | C12 | C13 | H133 | 175.8° | 180.0° |
| C12 | C14 | H141 | H142 | 117.7° | 120.0° |
| C12 | C14 | C15 | H15 | 66.7° | 57.6° |
| C14 | C15 | C16 | N11 | 122.8° | 120.0° |
| C14 | C15 | C16 | H15 | 124.5° | 120.0° |
| C14 | C15 | N11 | H15 | 124.2° | 119.9° |
| C14 | C15 | C16 | C17 | 78.7° | 175.0° |
| C14 | C15 | N11 | C21 | 116.1° | 99.7° |
| C15 | C14 | C12 | H12 | 47.0° | 53.4° |
| C15 | C14 | H141 | H142 | 117.7° | 120.0° |
| C14 | C15 | C16 | H161 | 161.3° | 65.0° |
| C14 | C15 | C16 | H162 | 41.2° | 55.0° |
| C14 | C15 | N11 | H11 | 123.9° | 24.3° |
| C16 | C15 | N11 | H15 | 121.3° | 120.0° |
| C15 | C16 | C17 | H161 | 120.0° | 120.0° |
| C15 | C16 | C17 | H162 | 120.0° | 120.0° |
| C15 | C16 | C17 | O11 | 133.4° | 180.0° |
| C15 | C16 | C17 | O12 | 52.1° | 0.0° |
| C16 | C15 | N11 | C21 | 1.7° | 140.3° |
| C16 | C15 | C14 | H141 | 51.6° | 62.4° |
| C16 | C15 | C14 | H142 | 68.4° | 57.6° |
| C15 | C16 | H161 | H162 | 118.9° | 120.0° |
| C16 | C15 | N11 | H11 | 121.7° | 95.7° |
| N11 | C15 | C16 | C17 | 158.5° | 65.0° |
| C15 | N11 | C21 | H11 | 120.0° | 124.0° |
| C15 | N11 | C21 | C22 | 165.8° | 173.8° |
| N11 | C15 | C14 | H141 | 73.9° | 57.6° |
| N11 | C15 | C14 | H142 | 166.1° | 177.6° |
| N11 | C15 | C16 | H161 | 38.5° | 55.0° |
| N11 | C15 | C16 | H162 | 81.5° | 175.0° |
| C15 | N11 | C21 | H211 | 45.8° | 53.8° |
| C15 | N11 | C21 | H212 | 74.2° | 66.2° |
| C16 | C17 | O11 | O12 | 174.0° | 180.0° |
| C17 | C16 | C15 | H15 | 45.8° | 55.0° |
| C17 | C16 | H161 | H162 | 118.9° | 120.0° |
| C16 | C17 | O11 | HA | 174.0° | 180.0° |
| O11 | C17 | C16 | H161 | 106.7° | 60.0° |
| O11 | C17 | C16 | H162 | 13.3° | 60.0° |
| O12 | C17 | C16 | H161 | 67.9° | 120.0° |
| O12 | C17 | C16 | H162 | 172.1° | 120.0° |
| O12 | C17 | O11 | HA | 0.0° | 0.0° |
| N11 | C21 | C22 | H211 | 120.0° | 120.0° |
| N11 | C21 | C22 | H212 | 120.0° | 120.0° |
| N11 | C21 | C22 | C23 | 23.2° | 90.0° |
| N11 | C21 | C22 | C27 | 156.6° | 90.3° |
| C21 | N11 | C15 | H15 | 119.7° | 20.3° |
| N11 | C21 | H211 | H212 | 116.1° | 120.0° |
| C21 | C22 | C23 | C27 | 179.8° | 179.7° |
| C21 | C22 | C23 | O21 | 0.6° | 0.0° |
| C21 | C22 | C23 | C24 | 179.1° | 180.0° |
| C21 | C22 | C27 | C26 | 178.8° | 179.8° |
| C21 | C22 | C27 | C28 | 0.4° | 0.0° |
| C22 | C21 | N11 | H11 | 74.2° | 62.2° |
| C22 | C21 | H211 | H212 | 116.1° | 120.0° |
| C22 | C23 | O21 | C24 | 179.7° | 180.0° |
| C22 | C23 | C24 | C25 | 178.6° | 180.0° |
| C22 | C23 | C24 | N21 | 0.6° | 0.1° |
| C23 | C22 | C27 | C26 | 1.3° | 0.5° |
| C23 | C22 | C27 | C28 | 179.7° | 179.7° |
| C23 | C22 | C21 | H211 | 143.2° | 30.0° |
| C23 | C22 | C21 | H212 | 96.8° | 150.0° |
| C22 | C23 | O21 | H21 | 180.0° | 90.0° |
| C27 | C22 | C23 | O21 | 179.3° | 179.7° |
| C27 | C22 | C23 | C24 | 1.0° | 0.3° |
| C22 | C27 | C26 | N21 | 1.2° | 0.5° |
| C22 | C27 | C26 | C28 | 178.5° | 179.8° |
| C22 | C27 | C28 | O22 | 71.0° | 180.0° |
| C27 | C22 | C21 | H211 | 36.6° | 149.7° |
| C27 | C22 | C21 | H212 | 83.4° | 29.7° |
| C22 | C27 | C26 | H26 | 178.8° | 179.7° |
| C22 | C27 | C28 | H281 | 169.0° | 60.0° |
| C22 | C27 | C28 | H282 | 49.0° | 60.0° |
| O21 | C23 | C24 | C25 | 1.1° | 0.0° |
| O21 | C23 | C24 | N21 | 179.7° | 179.9° |
| C23 | C24 | C25 | N21 | 179.2° | 179.9° |
| C23 | C24 | N21 | C26 | 0.4° | 0.0° |
| C24 | C23 | O21 | H21 | 0.3° | 90.0° |
| C23 | C24 | C25 | H251 | 179.2° | 89.9° |
| C23 | C24 | C25 | H252 | 59.2° | 150.0° |
| C23 | C24 | C25 | H253 | 60.8° | 30.0° |
| C25 | C24 | N21 | C26 | 178.7° | 180.0° |
| C24 | C25 | H251 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H253 | 120.0° | 120.0° |
| C24 | C25 | H252 | H253 | 120.0° | 120.0° |
| C24 | N21 | C26 | C27 | 0.7° | 0.2° |
| N21 | C24 | C25 | H251 | 0.0° | 90.0° |
| N21 | C24 | C25 | H252 | 120.0° | 30.1° |
| N21 | C24 | C25 | H253 | 120.0° | 150.1° |
| C24 | N21 | C26 | H26 | 179.3° | 179.9° |
| N21 | C26 | C27 | H26 | 180.0° | 179.8° |
| N21 | C26 | C27 | C28 | 179.7° | 179.7° |
| C26 | C27 | C28 | O22 | 107.5° | 0.2° |
| C26 | C27 | C28 | H281 | 12.6° | 120.2° |
| C26 | C27 | C28 | H282 | 132.6° | 119.8° |
| C27 | C28 | O22 | H281 | 120.0° | 120.0° |
| C27 | C28 | O22 | H282 | 120.0° | 120.0° |
| C27 | C28 | O22 | P | 155.8° | 180.0° |
| C28 | C27 | C26 | H26 | 0.3° | 0.1° |
| C27 | C28 | H281 | H282 | 120.1° | 119.9° |
| C28 | O22 | P | O1P | 47.5° | 175.0° |
| C28 | O22 | P | O2P | 61.4° | 64.9° |
| C28 | O22 | P | O3P | 179.2° | 55.0° |
| O22 | C28 | H281 | H282 | 120.1° | 120.0° |
| O22 | P | O1P | O2P | 107.6° | 120.1° |
| O22 | P | O1P | O3P | 126.4° | 120.0° |
| O22 | P | O2P | O3P | 117.9° | 120.0° |
| P | O22 | C28 | H281 | 84.2° | 59.9° |
| P | O22 | C28 | H282 | 35.8° | 60.0° |
| O22 | P | O1P | H1P | 126.5° | 180.0° |
| O22 | P | O2P | H2P | 117.9° | 60.1° |
| O1P | P | O2P | O3P | 130.3° | 120.0° |
| O1P | P | O2P | H2P | 130.3° | 60.0° |
| O2P | P | O1P | H1P | 126.0° | 60.0° |
| O3P | P | O1P | H1P | 0.0° | 60.0° |
| O3P | P | O2P | H2P | 0.0° | 180.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| H111 | C11 | C12 | H12 | 64.1° | 60.0° |
| H112 | C11 | C12 | H12 | 55.9° | 180.0° |
| H113 | C11 | C12 | H12 | 175.9° | 60.0° |
| H12 | C12 | C13 | H131 | 62.8° | 179.9° |
| H12 | C12 | C13 | H132 | 177.2° | 60.0° |
| H12 | C12 | C13 | H133 | 57.2° | 60.0° |
| H12 | C12 | C14 | H141 | 73.0° | 66.6° |
| H12 | C12 | C14 | H142 | 167.0° | 173.4° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H141 | C14 | C15 | H15 | 173.3° | 177.6° |
| H142 | C14 | C15 | H15 | 53.3° | 62.4° |
| H15 | C15 | C16 | H161 | 74.2° | 175.1° |
| H15 | C15 | C16 | H162 | 165.7° | 64.9° |
| H15 | C15 | N11 | H11 | 0.3° | 144.3° |
| H11 | N11 | C21 | H211 | 165.8° | 177.8° |
| H11 | N11 | C21 | H212 | 45.8° | 57.8° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
