05W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C22 | C | sing | 1.53Å | 1.56Å | |
C22 | C24 | sing | 1.53Å | 1.52Å | |
C22 | C23 | sing | 1.53Å | 1.53Å | |
C | O | sing | 1.43Å | 1.43Å | |
C | CA | sing | 1.53Å | 1.54Å | |
C24 | O7 | sing | 1.43Å | 1.43Å | |
C25 | C26 | sing | 1.53Å | 1.53Å | |
C25 | CA | sing | 1.53Å | 1.54Å | |
C27 | C26 | sing | 1.53Å | 1.52Å | |
C26 | C28 | sing | 1.53Å | 1.52Å | |
CA | N | sing | 1.47Å | 1.46Å | |
N | H | sing | 1.01Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
C25 | H14 | sing | 1.09Å | 1.10Å | |
C25 | H15 | sing | 1.09Å | 1.10Å | |
C26 | H16 | sing | 1.09Å | 1.10Å | |
C28 | H17 | sing | 1.09Å | 1.10Å | |
C28 | H18 | sing | 1.09Å | 1.10Å | |
C28 | H19 | sing | 1.09Å | 1.10Å | |
C27 | H20 | sing | 1.09Å | 1.10Å | |
C27 | H21 | sing | 1.09Å | 1.10Å | |
C27 | H22 | sing | 1.09Å | 1.10Å | |
C | H23 | sing | 1.09Å | 1.10Å | |
C22 | H24 | sing | 1.09Å | 1.10Å | |
C23 | H25 | sing | 1.09Å | 1.10Å | |
C23 | H26 | sing | 1.09Å | 1.10Å | |
C23 | H27 | sing | 1.09Å | 1.10Å | |
C24 | H28 | sing | 1.09Å | 1.10Å | |
C24 | H29 | sing | 1.09Å | 1.10Å | |
O7 | H30 | sing | 0.97Å | 0.95Å | |
O | H31 | sing | 0.97Å | 0.95Å | |
N | H2 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | C22 | C24 | 111.8° | 109.5° |
C | C22 | C23 | 111.3° | 109.5° |
C22 | C | O | 109.1° | 109.5° |
C22 | C | CA | 117.4° | 109.4° |
C22 | C | H23 | 106.8° | 109.5° |
C | C22 | H24 | 108.4° | 109.5° |
C24 | C22 | C23 | 107.6° | 109.5° |
C22 | C24 | O7 | 111.0° | 109.5° |
C24 | C22 | H24 | 108.9° | 109.4° |
C22 | C24 | H28 | 109.1° | 109.5° |
C22 | C24 | H29 | 109.1° | 109.4° |
C23 | C22 | H24 | 108.8° | 109.5° |
C22 | C23 | H25 | 109.5° | 109.5° |
C22 | C23 | H26 | 109.5° | 109.4° |
C22 | C23 | H27 | 109.5° | 109.5° |
O | C | CA | 107.9° | 109.5° |
O | C | H23 | 108.3° | 109.5° |
C | O | H31 | 109.5° | 114.0° |
C | CA | C25 | 109.6° | 109.4° |
C | CA | N | 116.9° | 109.5° |
C | CA | HA | 108.8° | 109.5° |
CA | C | H23 | 107.0° | 109.5° |
O7 | C24 | H28 | 109.1° | 109.5° |
O7 | C24 | H29 | 109.1° | 109.5° |
C24 | O7 | H30 | 109.5° | 114.0° |
C26 | C25 | CA | 118.4° | 109.5° |
C25 | C26 | C27 | 110.2° | 109.5° |
C25 | C26 | C28 | 114.7° | 109.5° |
C26 | C25 | H14 | 107.2° | 109.5° |
C26 | C25 | H15 | 107.2° | 109.5° |
C25 | C26 | H16 | 107.7° | 109.5° |
C25 | CA | N | 102.4° | 109.5° |
C25 | CA | HA | 108.8° | 109.4° |
CA | C25 | H14 | 107.2° | 109.4° |
CA | C25 | H15 | 107.2° | 109.5° |
C27 | C26 | C28 | 108.3° | 109.5° |
C27 | C26 | H16 | 107.8° | 109.4° |
C26 | C27 | H20 | 109.5° | 109.5° |
C26 | C27 | H21 | 109.5° | 109.5° |
C26 | C27 | H22 | 109.5° | 109.5° |
C28 | C26 | H16 | 107.9° | 109.5° |
C26 | C28 | H17 | 109.5° | 109.4° |
C26 | C28 | H18 | 109.5° | 109.4° |
C26 | C28 | H19 | 109.5° | 109.5° |
CA | N | H | 109.5° | 111.0° |
N | CA | HA | 109.9° | 109.5° |
CA | N | H2 | 109.4° | 111.0° |
H | N | H2 | 109.5° | 110.9° |
H14 | C25 | H15 | 109.5° | 109.5° |
H17 | C28 | H18 | 109.4° | 109.5° |
H17 | C28 | H19 | 109.5° | 109.5° |
H18 | C28 | H19 | 109.5° | 109.5° |
H20 | C27 | H21 | 109.5° | 109.4° |
H20 | C27 | H22 | 109.4° | 109.5° |
H21 | C27 | H22 | 109.5° | 109.5° |
H25 | C23 | H26 | 109.4° | 109.5° |
H25 | C23 | H27 | 109.5° | 109.4° |
H26 | C23 | H27 | 109.5° | 109.5° |
H28 | C24 | H29 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | C22 | C24 | C23 | 122.4° | 120.0° |
C | C22 | C24 | H24 | 119.8° | 120.0° |
C | C22 | C23 | H24 | 119.4° | 120.0° |
C22 | C | O | CA | 128.7° | 120.0° |
C22 | C | O | H23 | 115.9° | 120.0° |
C22 | C | CA | H23 | 119.9° | 120.0° |
C | C22 | C24 | O7 | 51.8° | 175.0° |
C22 | C | CA | C25 | 161.9° | 178.2° |
C22 | C | CA | N | 82.2° | 58.2° |
C22 | C | CA | HA | 43.0° | 61.9° |
C | C22 | C23 | H25 | 180.0° | 64.8° |
C | C22 | C23 | H26 | 60.0° | 55.2° |
C | C22 | C23 | H27 | 60.0° | 175.2° |
C | C22 | C24 | H28 | 172.0° | 55.0° |
C | C22 | C24 | H29 | 68.5° | 65.0° |
C22 | C | O | H31 | 180.0° | 60.0° |
C24 | C22 | C23 | H24 | 117.8° | 120.0° |
C24 | C22 | C | O | 23.2° | 175.0° |
C24 | C22 | C | CA | 99.9° | 65.0° |
C22 | C24 | O7 | H28 | 120.2° | 120.0° |
C22 | C24 | O7 | H29 | 120.2° | 120.0° |
C24 | C22 | C | H23 | 140.1° | 54.9° |
C24 | C22 | C23 | H25 | 57.3° | 55.2° |
C24 | C22 | C23 | H26 | 62.7° | 175.2° |
C24 | C22 | C23 | H27 | 177.3° | 64.7° |
C22 | C24 | H28 | H29 | 119.3° | 120.0° |
C22 | C24 | O7 | H30 | 180.0° | 180.0° |
C23 | C22 | C | O | 143.6° | 55.0° |
C23 | C22 | C | CA | 20.4° | 175.0° |
C23 | C22 | C24 | O7 | 70.7° | 65.0° |
C23 | C22 | C | H23 | 99.6° | 65.1° |
C22 | C23 | H25 | H26 | 120.0° | 120.0° |
C22 | C23 | H25 | H27 | 120.0° | 120.0° |
C22 | C23 | H26 | H27 | 120.0° | 120.0° |
C23 | C22 | C24 | H28 | 49.6° | 175.0° |
C23 | C22 | C24 | H29 | 169.1° | 55.0° |
O | C | CA | H23 | 116.3° | 120.1° |
O | C | CA | C25 | 74.3° | 58.2° |
O | C | CA | N | 41.5° | 61.8° |
O | C | CA | HA | 166.8° | 178.1° |
O | C | C22 | H24 | 96.8° | 65.0° |
C | CA | C25 | C26 | 131.4° | 175.0° |
C | CA | C25 | N | 124.8° | 120.0° |
C | CA | C25 | HA | 118.9° | 120.0° |
C | CA | N | HA | 124.7° | 120.1° |
C | CA | N | H | 180.0° | 66.1° |
C | CA | C25 | H14 | 10.1° | 65.0° |
C | CA | C25 | H15 | 107.3° | 54.9° |
CA | C | C22 | H24 | 140.0° | 55.0° |
CA | C | O | H31 | 51.3° | 60.0° |
C | CA | N | H2 | 60.0° | 57.8° |
O7 | C24 | C22 | H24 | 171.5° | 55.0° |
O7 | C24 | H28 | H29 | 119.3° | 120.0° |
C26 | C25 | CA | H14 | 121.3° | 120.0° |
C26 | C25 | CA | H15 | 121.3° | 120.1° |
C25 | C26 | C27 | C28 | 126.2° | 120.0° |
C25 | C26 | C27 | H16 | 117.3° | 120.0° |
C25 | C26 | C28 | H16 | 120.1° | 120.1° |
C26 | C25 | CA | N | 103.8° | 65.0° |
C26 | C25 | CA | HA | 12.5° | 55.0° |
C26 | C25 | H14 | H15 | 115.9° | 120.1° |
C25 | C26 | C28 | H17 | 180.0° | 60.0° |
C25 | C26 | C28 | H18 | 60.0° | 180.0° |
C25 | C26 | C28 | H19 | 60.0° | 60.0° |
C25 | C26 | C27 | H20 | 180.0° | 60.0° |
C25 | C26 | C27 | H21 | 60.0° | 60.0° |
C25 | C26 | C27 | H22 | 60.0° | 180.0° |
CA | C25 | C26 | C27 | 176.4° | 65.0° |
CA | C25 | C26 | C28 | 54.0° | 175.0° |
C25 | CA | N | HA | 115.6° | 119.9° |
C25 | CA | N | H | 60.2° | 173.9° |
CA | C25 | H14 | H15 | 115.9° | 120.0° |
CA | C25 | C26 | H16 | 66.2° | 54.9° |
C25 | CA | C | H23 | 42.0° | 61.8° |
C25 | CA | N | H2 | 179.8° | 62.2° |
C27 | C26 | C28 | H16 | 116.4° | 119.9° |
C27 | C26 | C25 | H14 | 62.3° | 175.1° |
C27 | C26 | C25 | H15 | 55.2° | 55.0° |
C27 | C26 | C28 | H17 | 56.5° | 60.0° |
C27 | C26 | C28 | H18 | 176.5° | 59.9° |
C27 | C26 | C28 | H19 | 63.5° | 180.0° |
C26 | C27 | H20 | H21 | 120.0° | 120.0° |
C26 | C27 | H20 | H22 | 120.0° | 120.0° |
C26 | C27 | H21 | H22 | 120.0° | 120.0° |
C28 | C26 | C25 | H14 | 175.2° | 55.0° |
C28 | C26 | C25 | H15 | 67.3° | 65.0° |
C26 | C28 | H17 | H18 | 120.0° | 119.9° |
C26 | C28 | H17 | H19 | 120.0° | 120.0° |
C26 | C28 | H18 | H19 | 120.0° | 120.0° |
C28 | C26 | C27 | H20 | 53.8° | 60.0° |
C28 | C26 | C27 | H21 | 66.2° | 180.0° |
C28 | C26 | C27 | H22 | 173.8° | 59.9° |
CA | N | H | H2 | 120.0° | 123.9° |
N | CA | C25 | H14 | 134.9° | 55.0° |
N | CA | C25 | H15 | 17.5° | 175.0° |
N | CA | C | H23 | 157.9° | 178.2° |
H | N | CA | HA | 55.3° | 54.0° |
HA | CA | C25 | H14 | 108.8° | 175.0° |
HA | CA | C25 | H15 | 133.8° | 65.0° |
HA | CA | C | H23 | 76.9° | 58.1° |
HA | CA | N | H2 | 64.7° | 177.9° |
H14 | C25 | C26 | H16 | 55.1° | 65.0° |
H15 | C25 | C26 | H16 | 172.5° | 175.0° |
H16 | C26 | C28 | H17 | 59.9° | 179.9° |
H16 | C26 | C28 | H18 | 60.1° | 60.0° |
H16 | C26 | C28 | H19 | 179.9° | 60.0° |
H16 | C26 | C27 | H20 | 62.7° | 180.0° |
H16 | C26 | C27 | H21 | 177.3° | 60.0° |
H16 | C26 | C27 | H22 | 57.3° | 60.0° |
H17 | C28 | H18 | H19 | 120.0° | 120.1° |
H20 | C27 | H21 | H22 | 120.0° | 120.0° |
H23 | C | C22 | H24 | 20.1° | 174.9° |
H23 | C | O | H31 | 64.1° | 180.0° |
H24 | C22 | C23 | H25 | 60.6° | 175.2° |
H24 | C22 | C23 | H26 | 179.4° | 64.8° |
H24 | C22 | C23 | H27 | 59.4° | 55.2° |
H24 | C22 | C24 | H28 | 68.2° | 65.0° |
H24 | C22 | C24 | H29 | 51.3° | 175.0° |
H25 | C23 | H26 | H27 | 120.0° | 120.0° |
H28 | C24 | O7 | H30 | 59.8° | 60.0° |
H29 | C24 | O7 | H30 | 59.8° | 60.0° |