FYG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O16 | C15 | doub | 1.21Å | 1.20Å | |
C15 | N17 | sing | 1.35Å | 1.38Å | |
C15 | C03 | sing | 1.51Å | 1.54Å | |
C02 | C03 | sing | 1.56Å | 1.73Å | |
C02 | C01 | sing | 1.52Å | 1.74Å | |
C03 | N04 | sing | 1.45Å | 1.11Å | |
C01 | C06 | sing | 1.53Å | 1.59Å | |
N04 | C08 | sing | 1.33Å | 1.42Å | |
N04 | C05 | sing | 1.50Å | 1.45Å | |
O09 | C08 | doub | 1.22Å | 1.18Å | |
C08 | N07 | sing | 1.38Å | 1.48Å | |
C05 | C06 | sing | 1.58Å | 1.09Å | |
C06 | N07 | sing | 1.49Å | 1.42Å | |
N07 | O10 | sing | 1.42Å | 1.33Å | |
O10 | S11 | sing | 1.52Å | 1.55Å | |
O14 | S11 | doub | 1.42Å | 1.47Å | |
S11 | O12 | doub | 1.42Å | 1.47Å | |
S11 | O13 | sing | 1.52Å | 1.45Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C02 | H3 | sing | 1.09Å | 1.10Å | |
C02 | H4 | sing | 1.09Å | 1.10Å | |
C03 | H5 | sing | 1.09Å | 1.10Å | |
C05 | H6 | sing | 1.09Å | 1.10Å | |
C05 | H7 | sing | 1.09Å | 1.10Å | |
C06 | H8 | sing | 1.09Å | 1.10Å | |
N17 | H9 | sing | 0.97Å | 1.00Å | |
N17 | H10 | sing | 0.97Å | 1.00Å | |
O13 | H11 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O16 | C15 | N17 | 122.2° | 120.0° |
O16 | C15 | C03 | 132.9° | 120.0° |
N17 | C15 | C03 | 104.7° | 120.0° |
C15 | N17 | H9 | 120.0° | 120.0° |
C15 | N17 | H10 | 120.0° | 120.0° |
C15 | C03 | C02 | 95.6° | 111.7° |
C15 | C03 | N04 | 132.7° | 111.7° |
C15 | C03 | H5 | 105.7° | 111.5° |
C03 | C02 | C01 | 110.0° | 110.5° |
C02 | C03 | N04 | 102.1° | 97.9° |
C03 | C02 | H3 | 109.3° | 109.3° |
C03 | C02 | H4 | 109.3° | 109.2° |
C02 | C03 | H5 | 103.9° | 111.7° |
C02 | C01 | C06 | 112.5° | 117.7° |
C02 | C01 | H1 | 108.7° | 107.8° |
C02 | C01 | H2 | 108.7° | 107.7° |
C01 | C02 | H3 | 109.3° | 109.3° |
C01 | C02 | H4 | 109.3° | 109.2° |
C03 | N04 | C08 | 106.8° | 132.7° |
C03 | N04 | C05 | 121.0° | 120.7° |
N04 | C03 | H5 | 111.9° | 111.7° |
C01 | C06 | C05 | 96.6° | 105.2° |
C01 | C06 | N07 | 97.8° | 110.8° |
C06 | C01 | H1 | 108.7° | 107.8° |
C06 | C01 | H2 | 108.7° | 107.8° |
C01 | C06 | H8 | 112.4° | 113.2° |
C08 | N04 | C05 | 105.5° | 101.7° |
N04 | C08 | O09 | 135.3° | 129.0° |
N04 | C08 | N07 | 98.4° | 101.9° |
N04 | C05 | C06 | 115.9° | 86.8° |
N04 | C05 | H6 | 107.9° | 113.7° |
N04 | C05 | H7 | 107.8° | 113.8° |
O09 | C08 | N07 | 126.3° | 129.0° |
C08 | N07 | C06 | 107.9° | 106.1° |
C08 | N07 | O10 | 110.5° | 127.0° |
C05 | C06 | N07 | 106.7° | 98.5° |
C06 | C05 | H6 | 107.8° | 113.7° |
C06 | C05 | H7 | 107.9° | 113.7° |
C05 | C06 | H8 | 123.7° | 113.7° |
C06 | N07 | O10 | 133.1° | 126.9° |
N07 | C06 | H8 | 115.2° | 114.2° |
N07 | O10 | S11 | 122.3° | 114.0° |
O10 | S11 | O14 | 105.1° | 106.4° |
O10 | S11 | O12 | 112.0° | 106.4° |
O10 | S11 | O13 | 102.1° | 107.2° |
O14 | S11 | O12 | 113.2° | 123.2° |
O14 | S11 | O13 | 110.9° | 106.4° |
O12 | S11 | O13 | 112.8° | 106.4° |
S11 | O13 | H11 | 109.5° | 114.0° |
H1 | C01 | H2 | 109.5° | 107.6° |
H3 | C02 | H4 | 109.5° | 109.3° |
H6 | C05 | H7 | 109.5° | 112.9° |
H9 | N17 | H10 | 120.0° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O16 | C15 | N17 | C03 | 175.2° | 179.8° |
O16 | C15 | C03 | C02 | 15.6° | 119.7° |
O16 | C15 | C03 | N04 | 127.7° | 11.2° |
O16 | C15 | C03 | H5 | 90.5° | 114.5° |
O16 | C15 | N17 | H9 | 0.0° | 179.8° |
O16 | C15 | N17 | H10 | 180.0° | 0.2° |
N17 | C15 | C03 | C02 | 170.0° | 60.0° |
N17 | C15 | C03 | N04 | 57.9° | 168.5° |
N17 | C15 | C03 | H5 | 83.9° | 65.7° |
C15 | N17 | H9 | H10 | 180.0° | 180.0° |
C15 | C03 | C02 | N04 | 135.8° | 117.2° |
C15 | C03 | C02 | H5 | 107.7° | 125.6° |
C15 | C03 | C02 | C01 | 122.8° | 76.6° |
C15 | C03 | N04 | H5 | 140.0° | 125.6° |
C15 | C03 | N04 | C08 | 178.8° | 172.1° |
C15 | C03 | N04 | C05 | 60.7° | 37.7° |
C15 | C03 | C02 | H3 | 2.7° | 163.2° |
C15 | C03 | C02 | H4 | 117.1° | 43.6° |
C03 | C15 | N17 | H9 | 175.2° | 0.0° |
C03 | C15 | N17 | H10 | 4.8° | 180.0° |
C03 | C02 | C01 | H3 | 120.1° | 120.3° |
C03 | C02 | C01 | H4 | 120.1° | 120.2° |
C02 | C03 | N04 | H5 | 110.5° | 117.2° |
C03 | C02 | C01 | C06 | 4.2° | 44.6° |
C02 | C03 | N04 | C08 | 71.8° | 70.7° |
C02 | C03 | N04 | C05 | 48.8° | 79.5° |
C03 | C02 | C01 | H1 | 116.3° | 77.5° |
C03 | C02 | C01 | H2 | 124.6° | 166.6° |
C03 | C02 | H3 | H4 | 119.7° | 119.5° |
C01 | C02 | C03 | N04 | 13.0° | 40.6° |
C02 | C01 | C06 | H1 | 120.4° | 122.1° |
C02 | C01 | C06 | H2 | 120.5° | 122.0° |
C02 | C01 | C06 | C05 | 33.8° | 61.6° |
C02 | C01 | C06 | N07 | 74.1° | 43.9° |
C02 | C01 | H1 | H2 | 118.6° | 115.9° |
C01 | C02 | H3 | H4 | 119.7° | 119.5° |
C01 | C02 | C03 | H5 | 129.5° | 157.8° |
C02 | C01 | C06 | H8 | 164.5° | 173.7° |
C03 | N04 | C08 | C05 | 130.0° | 154.1° |
C03 | N04 | C08 | O09 | 48.0° | 82.0° |
C03 | N04 | C08 | N07 | 133.6° | 97.9° |
C03 | N04 | C05 | C06 | 108.1° | 93.1° |
N04 | C03 | C02 | H3 | 133.1° | 79.7° |
N04 | C03 | C02 | H4 | 107.1° | 160.8° |
C03 | N04 | C05 | H6 | 130.9° | 21.4° |
C03 | N04 | C05 | H7 | 12.8° | 152.5° |
C01 | C06 | C05 | N04 | 77.2° | 66.4° |
C01 | C06 | N07 | C08 | 74.8° | 87.8° |
C01 | C06 | C05 | N07 | 100.2° | 114.4° |
C01 | C06 | C05 | H8 | 122.5° | 124.4° |
C01 | C06 | N07 | H8 | 119.3° | 129.2° |
C01 | C06 | N07 | O10 | 69.1° | 92.1° |
C06 | C01 | H1 | H2 | 118.6° | 116.0° |
C06 | C01 | C02 | H3 | 124.3° | 75.7° |
C06 | C01 | C02 | H4 | 115.9° | 164.8° |
C01 | C06 | C05 | H6 | 161.9° | 48.1° |
C01 | C06 | C05 | H7 | 43.7° | 179.1° |
N04 | C08 | O09 | N07 | 178.1° | 179.9° |
C08 | N04 | C05 | C06 | 13.0° | 65.0° |
N04 | C08 | N07 | C06 | 15.1° | 18.7° |
N04 | C08 | N07 | O10 | 167.7° | 161.3° |
C08 | N04 | C03 | H5 | 38.8° | 46.5° |
C08 | N04 | C05 | H6 | 107.9° | 179.5° |
C08 | N04 | C05 | H7 | 134.0° | 49.5° |
C05 | N04 | C08 | O09 | 178.0° | 123.9° |
C05 | N04 | C08 | N07 | 3.6° | 56.1° |
N04 | C05 | C06 | H6 | 120.9° | 114.5° |
N04 | C05 | C06 | H7 | 120.9° | 114.6° |
N04 | C05 | C06 | N07 | 23.0° | 48.0° |
C05 | N04 | C03 | H5 | 159.3° | 163.3° |
N04 | C05 | H6 | H7 | 117.1° | 131.5° |
N04 | C05 | C06 | H8 | 160.3° | 169.3° |
O09 | C08 | N07 | C06 | 166.3° | 161.4° |
O09 | C08 | N07 | O10 | 13.7° | 18.6° |
C08 | N07 | C06 | C05 | 24.6° | 22.1° |
C08 | N07 | C06 | O10 | 143.8° | 180.0° |
C08 | N07 | O10 | S11 | 128.8° | 90.0° |
C08 | N07 | C06 | H8 | 165.9° | 142.9° |
C05 | C06 | N07 | H8 | 141.4° | 120.8° |
C05 | C06 | N07 | O10 | 168.4° | 157.9° |
C05 | C06 | C01 | H1 | 86.6° | 60.5° |
C05 | C06 | C01 | H2 | 154.3° | 176.4° |
C06 | C05 | H6 | H7 | 117.1° | 131.4° |
C06 | N07 | O10 | S11 | 88.0° | 90.0° |
N07 | C06 | C01 | H1 | 165.4° | 166.0° |
N07 | C06 | C01 | H2 | 46.4° | 78.1° |
N07 | C06 | C05 | H6 | 97.9° | 162.5° |
N07 | C06 | C05 | H7 | 143.9° | 66.6° |
N07 | O10 | S11 | O14 | 178.7° | 171.5° |
N07 | O10 | S11 | O12 | 55.4° | 38.5° |
N07 | O10 | S11 | O13 | 65.5° | 75.0° |
O10 | N07 | C06 | H8 | 50.2° | 37.1° |
O10 | S11 | O14 | O12 | 122.5° | 123.0° |
O10 | S11 | O14 | O13 | 109.5° | 114.1° |
O10 | S11 | O12 | O13 | 114.5° | 114.1° |
O10 | S11 | O13 | H11 | 111.5° | 180.0° |
O14 | S11 | O12 | O13 | 127.0° | 123.0° |
O14 | S11 | O13 | H11 | 0.0° | 66.5° |
O12 | S11 | O13 | H11 | 128.2° | 66.5° |
H1 | C01 | C02 | H3 | 3.8° | 162.2° |
H1 | C01 | C02 | H4 | 123.6° | 42.7° |
H1 | C01 | C06 | H8 | 44.0° | 64.2° |
H2 | C01 | C02 | H3 | 115.3° | 46.3° |
H2 | C01 | C02 | H4 | 4.5° | 73.2° |
H2 | C01 | C06 | H8 | 75.1° | 51.7° |
H3 | C02 | C03 | H5 | 110.4° | 37.5° |
H4 | C02 | C03 | H5 | 9.4° | 82.0° |
H6 | C05 | C06 | H8 | 39.4° | 76.3° |
H7 | C05 | C06 | H8 | 78.8° | 54.7° |