1U5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O14 | C13 | doub | 1.21Å | 1.20Å | |
C05 | C04 | sing | 1.53Å | 1.49Å | |
C13 | C04 | sing | 1.54Å | 1.52Å | |
C13 | O12 | sing | 1.35Å | 1.37Å | |
C04 | C06 | sing | 1.56Å | 1.53Å | |
C04 | C02 | sing | 1.57Å | 1.61Å | |
C06 | C07 | sing | 1.55Å | 1.58Å | |
O12 | C08 | sing | 1.48Å | 1.44Å | |
C07 | C08 | sing | 1.56Å | 1.54Å | |
C02 | C08 | sing | 1.57Å | 1.57Å | |
C02 | C01 | sing | 1.53Å | 1.53Å | |
C02 | C03 | sing | 1.53Å | 1.53Å | |
C08 | C09 | sing | 1.51Å | 1.54Å | |
O11 | C09 | doub | 1.21Å | 1.25Å | |
C09 | O10 | sing | 1.34Å | 1.24Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C03 | H4 | sing | 1.09Å | 1.10Å | |
C03 | H5 | sing | 1.09Å | 1.10Å | |
C03 | H6 | sing | 1.09Å | 1.10Å | |
C05 | H7 | sing | 1.09Å | 1.10Å | |
C05 | H8 | sing | 1.09Å | 1.10Å | |
C05 | H9 | sing | 1.09Å | 1.10Å | |
C06 | H10 | sing | 1.09Å | 1.10Å | |
C06 | H11 | sing | 1.09Å | 1.10Å | |
C07 | H12 | sing | 1.09Å | 1.10Å | |
C07 | H13 | sing | 1.09Å | 1.10Å | |
O10 | H14 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O14 | C13 | C04 | 131.4° | 126.2° |
O14 | C13 | O12 | 120.2° | 126.3° |
C05 | C04 | C13 | 114.7° | 117.3° |
C05 | C04 | C06 | 118.9° | 116.5° |
C05 | C04 | C02 | 116.4° | 116.9° |
C04 | C05 | H7 | 109.5° | 109.5° |
C04 | C05 | H8 | 109.5° | 109.4° |
C04 | C05 | H9 | 109.5° | 109.5° |
C04 | C13 | O12 | 108.3° | 107.4° |
C13 | C04 | C06 | 104.6° | 103.8° |
C13 | C04 | C02 | 97.2° | 99.1° |
C13 | O12 | C08 | 107.4° | 109.0° |
C06 | C04 | C02 | 102.0° | 100.4° |
C04 | C06 | C07 | 103.3° | 103.6° |
C04 | C06 | H10 | 111.0° | 110.6° |
C04 | C06 | H11 | 111.0° | 110.5° |
C04 | C02 | C08 | 91.4° | 93.6° |
C04 | C02 | C01 | 112.3° | 112.5° |
C04 | C02 | C03 | 113.4° | 112.6° |
C06 | C07 | C08 | 102.9° | 103.9° |
C07 | C06 | H10 | 111.0° | 110.7° |
C07 | C06 | H11 | 111.0° | 110.6° |
C06 | C07 | H12 | 111.1° | 110.5° |
C06 | C07 | H13 | 111.1° | 110.6° |
O12 | C08 | C07 | 105.2° | 104.3° |
O12 | C08 | C02 | 101.8° | 100.4° |
O12 | C08 | C09 | 110.8° | 116.7° |
C07 | C08 | C02 | 103.0° | 100.6° |
C07 | C08 | C09 | 118.7° | 116.0° |
C08 | C07 | H12 | 111.1° | 110.5° |
C08 | C07 | H13 | 111.1° | 110.5° |
C08 | C02 | C01 | 110.8° | 112.5° |
C08 | C02 | C03 | 115.4° | 112.5° |
C02 | C08 | C09 | 115.5° | 116.4° |
C01 | C02 | C03 | 112.1° | 112.1° |
C02 | C01 | H1 | 109.5° | 109.5° |
C02 | C01 | H2 | 109.4° | 109.4° |
C02 | C01 | H3 | 109.5° | 109.5° |
C02 | C03 | H4 | 109.5° | 109.5° |
C02 | C03 | H5 | 109.5° | 109.4° |
C02 | C03 | H6 | 109.5° | 109.5° |
C08 | C09 | O11 | 116.9° | 120.0° |
C08 | C09 | O10 | 117.0° | 120.0° |
O11 | C09 | O10 | 126.2° | 120.0° |
C09 | O10 | H14 | 109.5° | 117.0° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.4° |
H2 | C01 | H3 | 109.5° | 109.5° |
H4 | C03 | H5 | 109.5° | 109.5° |
H4 | C03 | H6 | 109.5° | 109.5° |
H5 | C03 | H6 | 109.5° | 109.5° |
H7 | C05 | H8 | 109.5° | 109.4° |
H7 | C05 | H9 | 109.5° | 109.5° |
H8 | C05 | H9 | 109.5° | 109.5° |
H10 | C06 | H11 | 109.5° | 110.7° |
H12 | C07 | H13 | 109.4° | 110.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O14 | C13 | C04 | C05 | 25.0° | 20.5° |
O14 | C13 | C04 | O12 | 176.2° | 180.0° |
O14 | C13 | C04 | C06 | 107.0° | 109.6° |
O14 | C13 | C04 | C02 | 148.5° | 147.3° |
O14 | C13 | O12 | C08 | 177.8° | 179.3° |
C05 | C04 | C13 | C06 | 132.0° | 130.1° |
C05 | C04 | C13 | C02 | 123.5° | 126.8° |
C05 | C04 | C13 | O12 | 158.8° | 159.5° |
C05 | C04 | C06 | C02 | 129.6° | 127.3° |
C05 | C04 | C06 | C07 | 165.7° | 164.0° |
C05 | C04 | C02 | C08 | 173.0° | 176.1° |
C05 | C04 | C02 | C01 | 59.9° | 60.0° |
C05 | C04 | C02 | C03 | 68.4° | 67.7° |
C04 | C05 | H7 | H8 | 120.0° | 119.9° |
C04 | C05 | H7 | H9 | 120.0° | 120.1° |
C04 | C05 | H8 | H9 | 120.0° | 120.0° |
C05 | C04 | C06 | H10 | 46.7° | 45.4° |
C05 | C04 | C06 | H11 | 75.3° | 77.6° |
C13 | C04 | C06 | C02 | 100.9° | 102.1° |
C13 | C04 | C06 | C07 | 64.8° | 65.5° |
C04 | C13 | O12 | C08 | 1.0° | 0.8° |
C13 | C04 | C02 | C08 | 50.8° | 49.1° |
C13 | C04 | C02 | C01 | 62.3° | 67.0° |
C13 | C04 | C02 | C03 | 169.4° | 165.2° |
C13 | C04 | C05 | H7 | 180.0° | 177.1° |
C13 | C04 | C05 | H8 | 60.0° | 57.2° |
C13 | C04 | C05 | H9 | 60.0° | 62.8° |
C13 | C04 | C06 | H10 | 176.2° | 175.9° |
C13 | C04 | C06 | H11 | 54.2° | 53.0° |
O12 | C13 | C04 | C06 | 69.2° | 70.4° |
O12 | C13 | C04 | C02 | 35.3° | 32.7° |
C13 | O12 | C08 | C07 | 71.9° | 69.7° |
C13 | O12 | C08 | C02 | 35.3° | 34.1° |
C13 | O12 | C08 | C09 | 158.6° | 160.8° |
C04 | C06 | C07 | H10 | 119.0° | 118.6° |
C04 | C06 | C07 | H11 | 119.0° | 118.4° |
C04 | C06 | C07 | C08 | 0.3° | 0.7° |
C06 | C04 | C02 | C08 | 55.8° | 56.8° |
C06 | C04 | C02 | C01 | 169.0° | 172.9° |
C06 | C04 | C02 | C03 | 62.7° | 59.3° |
C06 | C04 | C05 | H7 | 55.2° | 59.0° |
C06 | C04 | C05 | H8 | 175.2° | 179.0° |
C06 | C04 | C05 | H9 | 64.8° | 61.0° |
C04 | C06 | H10 | H11 | 122.8° | 122.9° |
C04 | C06 | C07 | H12 | 119.3° | 119.3° |
C04 | C06 | C07 | H13 | 118.6° | 117.9° |
C02 | C04 | C06 | C07 | 36.1° | 36.6° |
C04 | C02 | C08 | O12 | 53.0° | 50.5° |
C04 | C02 | C08 | C07 | 55.9° | 56.3° |
C04 | C02 | C08 | C01 | 114.5° | 116.1° |
C04 | C02 | C08 | C03 | 116.8° | 116.3° |
C04 | C02 | C01 | C03 | 129.0° | 128.0° |
C04 | C02 | C08 | C09 | 173.1° | 177.4° |
C04 | C02 | C01 | H1 | 180.0° | 45.6° |
C04 | C02 | C01 | H2 | 60.0° | 74.4° |
C04 | C02 | C01 | H3 | 60.0° | 165.6° |
C04 | C02 | C03 | H4 | 180.0° | 165.6° |
C04 | C02 | C03 | H5 | 60.0° | 74.3° |
C04 | C02 | C03 | H6 | 60.0° | 45.6° |
C02 | C04 | C05 | H7 | 67.5° | 59.6° |
C02 | C04 | C05 | H8 | 52.5° | 60.3° |
C02 | C04 | C05 | H9 | 172.5° | 179.7° |
C02 | C04 | C06 | H10 | 83.0° | 82.0° |
C02 | C04 | C06 | H11 | 155.1° | 155.1° |
C06 | C07 | C08 | O12 | 69.6° | 68.3° |
C06 | C07 | C08 | H12 | 119.0° | 118.6° |
C06 | C07 | C08 | H13 | 119.0° | 118.7° |
C06 | C07 | C08 | C02 | 36.8° | 35.5° |
C06 | C07 | C08 | C09 | 165.8° | 161.9° |
C07 | C06 | H10 | H11 | 122.9° | 122.9° |
C06 | C07 | H12 | H13 | 123.0° | 122.8° |
O12 | C08 | C07 | C02 | 106.3° | 103.7° |
O12 | C08 | C07 | C09 | 124.6° | 129.8° |
O12 | C08 | C02 | C09 | 120.1° | 126.9° |
O12 | C08 | C02 | C01 | 61.5° | 65.6° |
O12 | C08 | C02 | C03 | 169.8° | 166.7° |
O12 | C08 | C09 | O11 | 11.0° | 143.4° |
O12 | C08 | C09 | O10 | 168.0° | 36.6° |
O12 | C08 | C07 | H12 | 171.5° | 173.1° |
O12 | C08 | C07 | H13 | 49.4° | 50.4° |
C07 | C08 | C02 | C09 | 131.0° | 126.2° |
C07 | C08 | C02 | C01 | 170.4° | 172.5° |
C07 | C08 | C02 | C03 | 60.9° | 59.9° |
C07 | C08 | C09 | O11 | 132.8° | 93.1° |
C07 | C08 | C09 | O10 | 46.2° | 87.0° |
C08 | C07 | C06 | H10 | 118.7° | 117.8° |
C08 | C07 | C06 | H11 | 119.4° | 119.2° |
C08 | C07 | H12 | H13 | 123.0° | 122.7° |
C08 | C02 | C01 | C03 | 130.4° | 127.9° |
C02 | C08 | C09 | O11 | 104.1° | 25.0° |
C02 | C08 | C09 | O10 | 76.9° | 155.0° |
C08 | C02 | C01 | H1 | 79.4° | 58.5° |
C08 | C02 | C01 | H2 | 40.6° | 178.5° |
C08 | C02 | C01 | H3 | 160.6° | 61.5° |
C08 | C02 | C03 | H4 | 76.4° | 61.4° |
C08 | C02 | C03 | H5 | 163.6° | 178.5° |
C08 | C02 | C03 | H6 | 43.6° | 58.6° |
C02 | C08 | C07 | H12 | 82.2° | 83.1° |
C02 | C08 | C07 | H13 | 155.7° | 154.1° |
C01 | C02 | C08 | C09 | 58.6° | 61.3° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | C02 | C03 | H4 | 51.6° | 66.4° |
C01 | C02 | C03 | H5 | 68.4° | 53.6° |
C01 | C02 | C03 | H6 | 171.6° | 173.6° |
C03 | C02 | C08 | C09 | 70.1° | 66.3° |
C03 | C02 | C01 | H1 | 51.0° | 173.6° |
C03 | C02 | C01 | H2 | 171.1° | 53.6° |
C03 | C02 | C01 | H3 | 69.0° | 66.4° |
C02 | C03 | H4 | H5 | 120.0° | 120.0° |
C02 | C03 | H4 | H6 | 120.0° | 120.0° |
C02 | C03 | H5 | H6 | 120.0° | 120.0° |
C08 | C09 | O11 | O10 | 178.9° | 180.0° |
C09 | C08 | C07 | H12 | 46.8° | 43.3° |
C09 | C08 | C07 | H13 | 75.2° | 79.4° |
C08 | C09 | O10 | H14 | 178.9° | 180.0° |
O11 | C09 | O10 | H14 | 0.0° | 0.0° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H4 | C03 | H5 | H6 | 120.0° | 120.1° |
H7 | C05 | H8 | H9 | 120.0° | 120.0° |
H10 | C06 | C07 | H12 | 0.3° | 0.7° |
H10 | C06 | C07 | H13 | 122.3° | 123.6° |
H11 | C06 | C07 | H12 | 121.7° | 122.3° |
H11 | C06 | C07 | H13 | 0.4° | 0.6° |