4UG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N2 | C19 | trip | 1.14Å | 1.05Å | |
C19 | C24 | sing | 1.47Å | 1.45Å | |
O3 | C24 | sing | 1.43Å | 1.38Å | |
C24 | C11 | sing | 1.53Å | 1.49Å | |
C11 | N3 | sing | 1.47Å | 1.36Å | |
C11 | C17 | sing | 1.53Å | 1.65Å | |
C17 | C25 | sing | 1.53Å | 1.57Å | |
C25 | C13 | sing | 1.53Å | 1.32Å | |
C25 | C15 | sing | 1.50Å | 1.55Å | |
C13 | C6 | sing | 1.53Å | 1.52Å | |
O4 | C15 | doub | 1.21Å | 1.32Å | |
C15 | N4 | sing | 1.33Å | 1.45Å | |
C6 | C27 | sing | 1.53Å | 1.53Å | |
N4 | C27 | sing | 1.46Å | 1.48Å | |
C6 | H19 | sing | 1.09Å | 1.10Å | |
C6 | H20 | sing | 1.09Å | 1.10Å | |
C11 | H21 | sing | 1.09Å | 1.10Å | |
C13 | H22 | sing | 1.09Å | 1.10Å | |
C13 | H23 | sing | 1.09Å | 1.10Å | |
C17 | H24 | sing | 1.09Å | 1.10Å | |
C17 | H25 | sing | 1.09Å | 1.10Å | |
C24 | H26 | sing | 1.09Å | 1.10Å | |
C25 | H27 | sing | 1.09Å | 1.10Å | |
C27 | H28 | sing | 1.09Å | 1.10Å | |
C27 | H29 | sing | 1.09Å | 1.10Å | |
N3 | H30 | sing | 1.01Å | 1.00Å | |
N4 | H31 | sing | 0.97Å | 1.00Å | |
O3 | H32 | sing | 0.97Å | 0.95Å | |
N3 | H2 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N2 | C19 | C24 | 177.9° | 180.0° |
C19 | C24 | O3 | 111.9° | 109.5° |
C19 | C24 | C11 | 109.8° | 109.5° |
C19 | C24 | H26 | 108.0° | 109.5° |
O3 | C24 | C11 | 110.5° | 109.5° |
O3 | C24 | H26 | 109.0° | 109.4° |
C24 | O3 | H32 | 109.5° | 114.0° |
C24 | C11 | N3 | 104.7° | 109.5° |
C24 | C11 | C17 | 127.6° | 109.5° |
C24 | C11 | H21 | 107.5° | 109.5° |
C11 | C24 | H26 | 107.5° | 109.5° |
N3 | C11 | C17 | 101.0° | 109.5° |
N3 | C11 | H21 | 109.2° | 109.4° |
C11 | N3 | H30 | 109.5° | 111.0° |
C11 | N3 | H2 | 109.5° | 110.9° |
C11 | C17 | C25 | 115.4° | 109.5° |
C17 | C11 | H21 | 105.8° | 109.5° |
C11 | C17 | H24 | 108.0° | 109.5° |
C11 | C17 | H25 | 108.0° | 109.5° |
C17 | C25 | C13 | 116.1° | 109.4° |
C17 | C25 | C15 | 108.5° | 109.4° |
C25 | C17 | H24 | 108.0° | 109.4° |
C25 | C17 | H25 | 108.0° | 109.5° |
C17 | C25 | H27 | 103.0° | 109.5° |
C13 | C25 | C15 | 118.4° | 109.9° |
C25 | C13 | C6 | 115.7° | 108.4° |
C25 | C13 | H22 | 107.9° | 109.6° |
C25 | C13 | H23 | 107.9° | 109.7° |
C13 | C25 | H27 | 105.6° | 109.3° |
C25 | C15 | O4 | 120.6° | 118.3° |
C25 | C15 | N4 | 115.2° | 123.5° |
C15 | C25 | H27 | 103.2° | 109.3° |
C13 | C6 | C27 | 110.6° | 108.7° |
C13 | C6 | H19 | 109.2° | 109.6° |
C13 | C6 | H20 | 109.2° | 109.7° |
C6 | C13 | H22 | 107.9° | 109.7° |
C6 | C13 | H23 | 107.9° | 109.7° |
O4 | C15 | N4 | 124.2° | 118.2° |
C15 | N4 | C27 | 120.3° | 124.1° |
C15 | N4 | H31 | 119.8° | 118.0° |
C6 | C27 | N4 | 109.7° | 110.5° |
C27 | C6 | H19 | 109.2° | 109.6° |
C27 | C6 | H20 | 109.2° | 109.6° |
C6 | C27 | H28 | 109.4° | 109.3° |
C6 | C27 | H29 | 109.4° | 109.3° |
N4 | C27 | H28 | 109.4° | 109.3° |
N4 | C27 | H29 | 109.4° | 109.1° |
C27 | N4 | H31 | 119.8° | 117.9° |
H19 | C6 | H20 | 109.5° | 109.6° |
H22 | C13 | H23 | 109.5° | 109.7° |
H24 | C17 | H25 | 109.5° | 109.5° |
H28 | C27 | H29 | 109.5° | 109.3° |
H30 | N3 | H2 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N2 | C19 | C24 | O3 | 16.7° | 172.2° |
N2 | C19 | C24 | C11 | 106.3° | 52.2° |
N2 | C19 | C24 | H26 | 136.7° | 67.8° |
C19 | C24 | O3 | C11 | 122.7° | 120.0° |
C19 | C24 | O3 | H26 | 119.4° | 120.0° |
C19 | C24 | C11 | H26 | 117.3° | 120.0° |
C19 | C24 | C11 | N3 | 158.5° | 60.0° |
C19 | C24 | C11 | C17 | 41.7° | 180.0° |
C19 | C24 | C11 | H21 | 85.4° | 60.0° |
C19 | C24 | O3 | H32 | 180.0° | 60.0° |
O3 | C24 | C11 | H26 | 118.8° | 120.0° |
O3 | C24 | C11 | N3 | 77.6° | 60.0° |
O3 | C24 | C11 | C17 | 165.6° | 60.0° |
O3 | C24 | C11 | H21 | 38.5° | 180.0° |
C24 | C11 | N3 | C17 | 133.9° | 120.0° |
C24 | C11 | N3 | H21 | 114.9° | 120.0° |
C24 | C11 | C17 | H21 | 127.8° | 120.0° |
C24 | C11 | C17 | C25 | 172.4° | 174.8° |
C24 | C11 | C17 | H24 | 66.7° | 65.2° |
C24 | C11 | C17 | H25 | 51.5° | 54.9° |
C24 | C11 | N3 | H30 | 180.0° | 63.9° |
C11 | C24 | O3 | H32 | 57.4° | 60.0° |
C24 | C11 | N3 | H2 | 60.0° | 60.0° |
N3 | C11 | C17 | H21 | 113.8° | 120.0° |
N3 | C11 | C17 | C25 | 69.2° | 65.2° |
N3 | C11 | C17 | H24 | 51.7° | 54.8° |
N3 | C11 | C17 | H25 | 170.0° | 174.9° |
N3 | C11 | C24 | H26 | 41.2° | 180.0° |
C11 | N3 | H30 | H2 | 120.0° | 123.9° |
C11 | C17 | C25 | H24 | 120.9° | 120.0° |
C11 | C17 | C25 | H25 | 120.8° | 120.0° |
C11 | C17 | C25 | C13 | 45.0° | 65.4° |
C11 | C17 | C25 | C15 | 178.9° | 174.2° |
C11 | C17 | H24 | H25 | 117.3° | 120.0° |
C17 | C11 | C24 | H26 | 75.6° | 60.0° |
C11 | C17 | C25 | H27 | 69.9° | 54.4° |
C17 | C11 | N3 | H30 | 46.1° | 176.1° |
C17 | C11 | N3 | H2 | 166.1° | 60.0° |
C17 | C25 | C13 | C15 | 131.7° | 120.1° |
C17 | C25 | C13 | H27 | 113.4° | 119.9° |
C17 | C25 | C15 | H27 | 108.9° | 119.9° |
C17 | C25 | C13 | C6 | 173.1° | 169.0° |
C17 | C25 | C15 | O4 | 17.5° | 42.3° |
C17 | C25 | C15 | N4 | 159.9° | 137.7° |
C25 | C17 | C11 | H21 | 44.6° | 54.8° |
C17 | C25 | C13 | H22 | 52.2° | 71.3° |
C17 | C25 | C13 | H23 | 66.0° | 49.3° |
C25 | C17 | H24 | H25 | 117.3° | 120.0° |
C13 | C25 | C15 | H27 | 116.2° | 120.0° |
C25 | C13 | C6 | H22 | 120.9° | 119.7° |
C25 | C13 | C6 | H23 | 120.9° | 119.8° |
C13 | C25 | C15 | O4 | 152.5° | 162.5° |
C13 | C25 | C15 | N4 | 25.0° | 17.5° |
C25 | C13 | C6 | C27 | 56.2° | 67.5° |
C25 | C13 | C6 | H19 | 176.4° | 172.7° |
C25 | C13 | C6 | H20 | 63.9° | 52.3° |
C25 | C13 | H22 | H23 | 117.2° | 120.5° |
C13 | C25 | C17 | H24 | 165.9° | 174.6° |
C13 | C25 | C17 | H25 | 75.9° | 54.5° |
C15 | C25 | C13 | C6 | 41.4° | 48.9° |
C25 | C15 | O4 | N4 | 177.2° | 180.0° |
C25 | C15 | N4 | C27 | 24.9° | 2.2° |
C15 | C25 | C13 | H22 | 79.5° | 168.6° |
C15 | C25 | C13 | H23 | 162.3° | 70.9° |
C15 | C25 | C17 | H24 | 58.0° | 54.2° |
C15 | C25 | C17 | H25 | 60.3° | 65.9° |
C25 | C15 | N4 | H31 | 155.1° | 177.7° |
C13 | C6 | C27 | H19 | 120.2° | 119.7° |
C13 | C6 | C27 | H20 | 120.1° | 119.9° |
C13 | C6 | C27 | N4 | 52.2° | 50.8° |
C13 | C6 | H19 | H20 | 119.5° | 120.5° |
C6 | C13 | H22 | H23 | 117.1° | 120.5° |
C6 | C13 | C25 | H27 | 73.5° | 71.1° |
C13 | C6 | C27 | H28 | 67.9° | 69.5° |
C13 | C6 | C27 | H29 | 172.2° | 170.9° |
O4 | C15 | N4 | C27 | 152.4° | 177.8° |
O4 | C15 | C25 | H27 | 91.4° | 77.5° |
O4 | C15 | N4 | H31 | 27.5° | 2.3° |
C15 | N4 | C27 | C6 | 39.8° | 19.1° |
C15 | N4 | C27 | H31 | 180.0° | 179.9° |
N4 | C15 | C25 | H27 | 91.2° | 102.5° |
C15 | N4 | C27 | H28 | 80.2° | 101.3° |
C15 | N4 | C27 | H29 | 159.9° | 139.3° |
C6 | C27 | N4 | H28 | 120.1° | 120.3° |
C6 | C27 | N4 | H29 | 120.0° | 120.2° |
C27 | C6 | H19 | H20 | 119.5° | 120.3° |
C27 | C6 | C13 | H22 | 64.7° | 172.8° |
C27 | C6 | C13 | H23 | 177.1° | 52.2° |
C6 | C27 | H28 | H29 | 119.9° | 119.6° |
C6 | C27 | N4 | H31 | 140.2° | 160.9° |
N4 | C27 | C6 | H19 | 172.4° | 170.5° |
N4 | C27 | C6 | H20 | 68.0° | 69.1° |
N4 | C27 | H28 | H29 | 119.9° | 119.4° |
H19 | C6 | C13 | H22 | 55.5° | 53.1° |
H19 | C6 | C13 | H23 | 62.7° | 67.5° |
H19 | C6 | C27 | H28 | 52.3° | 50.2° |
H19 | C6 | C27 | H29 | 67.6° | 69.4° |
H20 | C6 | C13 | H22 | 175.2° | 67.4° |
H20 | C6 | C13 | H23 | 57.0° | 172.0° |
H20 | C6 | C27 | H28 | 172.0° | 170.6° |
H20 | C6 | C27 | H29 | 52.1° | 51.0° |
H21 | C11 | C17 | H24 | 165.5° | 174.8° |
H21 | C11 | C17 | H25 | 76.3° | 65.2° |
H21 | C11 | C24 | H26 | 157.3° | 60.1° |
H21 | C11 | N3 | H30 | 65.1° | 56.1° |
H21 | C11 | N3 | H2 | 54.9° | 180.0° |
H22 | C13 | C25 | H27 | 165.6° | 48.6° |
H23 | C13 | C25 | H27 | 47.4° | 169.1° |
H24 | C17 | C25 | H27 | 51.0° | 65.6° |
H25 | C17 | C25 | H27 | 169.3° | 174.4° |
H26 | C24 | O3 | H32 | 60.6° | 180.0° |
H28 | C27 | N4 | H31 | 99.8° | 78.8° |
H29 | C27 | N4 | H31 | 20.1° | 40.7° |