XW1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O91 | doub | 1.21Å | 1.23Å | |
| C1 | O92 | sing | 1.34Å | 1.39Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | C13 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C17 | C1 | sing | 1.51Å | 1.54Å | |
| C17 | C15 | sing | 1.53Å | 1.49Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| C93 | O92 | sing | 1.45Å | 1.40Å | |
| C94 | C93 | sing | 1.53Å | 1.51Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H111 | sing | 1.09Å | 1.10Å | |
| C93 | H93 | sing | 1.09Å | 1.10Å | |
| C93 | H11 | sing | 1.09Å | 1.10Å | |
| C94 | H94 | sing | 1.09Å | 1.10Å | |
| C94 | H94A | sing | 1.09Å | 1.10Å | |
| C94 | H141 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O91 | C1 | O92 | 120.1° | 120.0° |
| O91 | C1 | C17 | 118.9° | 120.0° |
| O92 | C1 | C17 | 118.7° | 120.0° |
| C1 | O92 | C93 | 121.1° | 117.0° |
| N | CA | C13 | 110.0° | 109.4° |
| N | CA | C | 113.8° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | HA | 107.2° | 109.4° |
| CA | C13 | C14 | 118.2° | 109.5° |
| C13 | CA | C | 112.7° | 109.5° |
| C13 | CA | HA | 108.5° | 109.5° |
| CA | C13 | H13 | 106.7° | 109.5° |
| CA | C13 | H13A | 106.7° | 109.5° |
| C13 | C14 | C15 | 115.0° | 109.5° |
| C14 | C13 | H13 | 106.7° | 109.4° |
| C14 | C13 | H13A | 106.7° | 109.4° |
| C13 | C14 | H14 | 107.7° | 109.4° |
| C13 | C14 | H14A | 107.7° | 109.4° |
| C14 | C15 | C17 | 115.3° | 109.5° |
| C15 | C14 | H14 | 107.7° | 109.5° |
| C15 | C14 | H14A | 107.7° | 109.5° |
| C14 | C15 | H15 | 107.6° | 109.4° |
| C14 | C15 | H9 | 107.6° | 109.5° |
| C1 | C17 | C15 | 115.3° | 109.5° |
| C1 | C17 | H17 | 107.6° | 109.4° |
| C1 | C17 | H111 | 107.5° | 109.6° |
| C17 | C15 | H15 | 107.6° | 109.5° |
| C17 | C15 | H9 | 107.6° | 109.4° |
| C15 | C17 | H17 | 107.6° | 109.4° |
| C15 | C17 | H111 | 107.6° | 109.5° |
| CA | C | O | 119.1° | 120.0° |
| CA | C | OXT | 131.1° | 120.0° |
| C | CA | HA | 104.2° | 109.5° |
| O | C | OXT | 109.7° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| O92 | C93 | C94 | 120.1° | 109.5° |
| O92 | C93 | H93 | 106.1° | 109.4° |
| O92 | C93 | H11 | 106.1° | 109.5° |
| C94 | C93 | H93 | 106.1° | 109.5° |
| C94 | C93 | H11 | 106.1° | 109.5° |
| C93 | C94 | H94 | 109.5° | 109.5° |
| C93 | C94 | H94A | 109.5° | 109.5° |
| C93 | C94 | H141 | 109.5° | 109.4° |
| H | N | H2 | 109.5° | 111.0° |
| H13 | C13 | H13A | 112.1° | 109.5° |
| H14 | C14 | H14A | 111.2° | 109.4° |
| H15 | C15 | H9 | 111.3° | 109.5° |
| H17 | C17 | H111 | 111.3° | 109.4° |
| H93 | C93 | H11 | 112.6° | 109.4° |
| H94 | C94 | H94A | 109.5° | 109.5° |
| H94 | C94 | H141 | 109.5° | 109.5° |
| H94A | C94 | H141 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O91 | C1 | O92 | C17 | 162.5° | 179.7° |
| O91 | C1 | C17 | C15 | 22.4° | 0.1° |
| O91 | C1 | O92 | C93 | 139.7° | 0.0° |
| O91 | C1 | C17 | H17 | 142.4° | 120.0° |
| O91 | C1 | C17 | H111 | 97.6° | 120.0° |
| O92 | C1 | C17 | C15 | 140.3° | 179.8° |
| C1 | O92 | C93 | C94 | 91.0° | 180.0° |
| O92 | C1 | C17 | H17 | 20.4° | 60.3° |
| O92 | C1 | C17 | H111 | 99.7° | 59.7° |
| C1 | O92 | C93 | H93 | 29.0° | 60.0° |
| C1 | O92 | C93 | H11 | 149.0° | 59.9° |
| N | CA | C13 | C | 128.2° | 120.0° |
| N | CA | C13 | HA | 117.0° | 119.9° |
| N | CA | C13 | C14 | 135.0° | 65.0° |
| N | CA | C | HA | 116.4° | 120.0° |
| N | CA | C | O | 54.8° | 20.0° |
| N | CA | C | OXT | 125.2° | 160.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C13 | H13 | 15.0° | 55.0° |
| N | CA | C13 | H13A | 105.0° | 175.0° |
| CA | C13 | C14 | H13 | 120.0° | 120.0° |
| CA | C13 | C14 | H13A | 120.0° | 120.0° |
| CA | C13 | C14 | C15 | 170.0° | NaN° |
| C13 | CA | C | HA | 117.4° | 120.0° |
| C13 | CA | C | O | 71.4° | 100.0° |
| C13 | CA | C | OXT | 108.6° | 80.0° |
| C13 | CA | N | H | 180.0° | 60.0° |
| C13 | CA | N | H2 | 60.0° | 64.0° |
| CA | C13 | H13 | H13A | 116.4° | 120.0° |
| CA | C13 | C14 | H14 | 50.0° | 60.0° |
| CA | C13 | C14 | H14A | 70.0° | 59.9° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | C15 | C17 | 155.0° | 180.0° |
| C14 | C13 | CA | C | 96.8° | 175.0° |
| C14 | C13 | CA | HA | 18.0° | 55.0° |
| C14 | C13 | H13 | H13A | 116.4° | 119.9° |
| C13 | C14 | H14 | H14A | 117.7° | 119.9° |
| C13 | C14 | C15 | H15 | 85.0° | 60.0° |
| C13 | C14 | C15 | H9 | 35.0° | 60.0° |
| C14 | C15 | C17 | C1 | 157.7° | 180.0° |
| C14 | C15 | C17 | H15 | 120.0° | 120.0° |
| C14 | C15 | C17 | H9 | 120.0° | 120.0° |
| C15 | C14 | C13 | H13 | 70.0° | 60.0° |
| C15 | C14 | C13 | H13A | 50.0° | 60.0° |
| C15 | C14 | H14 | H14A | 117.8° | 120.1° |
| C14 | C15 | H15 | H9 | 117.6° | 120.0° |
| C14 | C15 | C17 | H17 | 82.3° | 60.0° |
| C14 | C15 | C17 | H111 | 37.7° | 59.9° |
| C1 | C17 | C15 | H17 | 120.0° | 119.9° |
| C1 | C17 | C15 | H111 | 120.0° | 120.1° |
| C17 | C1 | O92 | C93 | 57.8° | 179.7° |
| C1 | C17 | C15 | H15 | 82.3° | 60.0° |
| C1 | C17 | C15 | H9 | 37.7° | 60.1° |
| C1 | C17 | H17 | H111 | 117.6° | 120.0° |
| C17 | C15 | C14 | H14 | 35.0° | 60.0° |
| C17 | C15 | C14 | H14A | 85.0° | 60.0° |
| C17 | C15 | H15 | H9 | 117.6° | 120.0° |
| C15 | C17 | H17 | H111 | 117.6° | 120.0° |
| CA | C | O | OXT | 180.0° | 180.0° |
| C | CA | N | H | 52.4° | 60.0° |
| C | CA | N | H2 | 67.6° | 176.0° |
| C | CA | C13 | H13 | 143.2° | 65.0° |
| C | CA | C13 | H13A | 23.2° | 55.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| O | C | CA | HA | 171.2° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 8.8° | 40.0° |
| O92 | C93 | C94 | H93 | 120.0° | 119.9° |
| O92 | C93 | C94 | H11 | 120.0° | 120.0° |
| O92 | C93 | H93 | H11 | 115.6° | 119.9° |
| O92 | C93 | C94 | H94 | 180.0° | 60.0° |
| O92 | C93 | C94 | H94A | 60.0° | 60.0° |
| O92 | C93 | C94 | H141 | 60.0° | 180.0° |
| C94 | C93 | H93 | H11 | 115.6° | 120.1° |
| C93 | C94 | H94 | H94A | 120.0° | 120.0° |
| C93 | C94 | H94 | H141 | 120.0° | 119.9° |
| C93 | C94 | H94A | H141 | 120.0° | 120.0° |
| H | N | CA | HA | 62.2° | 180.0° |
| H2 | N | CA | HA | 177.8° | 56.0° |
| HA | CA | C13 | H13 | 102.0° | 175.0° |
| HA | CA | C13 | H13A | 138.0° | 65.0° |
| H13 | C13 | C14 | H14 | 170.0° | NaN° |
| H13 | C13 | C14 | H14A | 50.0° | 60.1° |
| H13A | C13 | C14 | H14 | 70.0° | 60.0° |
| H13A | C13 | C14 | H14A | 170.0° | 179.9° |
| H14 | C14 | C15 | H15 | 155.0° | 180.0° |
| H14 | C14 | C15 | H9 | 85.0° | 60.0° |
| H14A | C14 | C15 | H15 | 35.0° | 60.0° |
| H14A | C14 | C15 | H9 | 155.0° | 180.0° |
| H15 | C15 | C17 | H17 | 37.7° | 60.0° |
| H15 | C15 | C17 | H111 | 157.7° | 179.9° |
| H9 | C15 | C17 | H17 | 157.7° | 180.0° |
| H9 | C15 | C17 | H111 | 82.3° | 60.1° |
| H93 | C93 | C94 | H94 | 60.0° | 180.0° |
| H93 | C93 | C94 | H94A | 180.0° | 59.9° |
| H93 | C93 | C94 | H141 | 60.0° | 60.1° |
| H11 | C93 | C94 | H94 | 60.0° | 60.0° |
| H11 | C93 | C94 | H94A | 60.0° | 180.0° |
| H11 | C93 | C94 | H141 | 180.0° | 60.0° |
| H94 | C94 | H94A | H141 | 120.0° | 120.0° |
