2JU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | doub | 1.22Å | 1.25Å | |
C26 | C27 | doub | 1.36Å | 1.40Å | Aromatic |
C26 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
N3 | C2 | sing | 1.34Å | 1.33Å | |
N3 | C4 | sing | 1.35Å | 1.34Å | |
C2 | N1 | sing | 1.34Å | 1.34Å | |
C27 | C28 | sing | 1.41Å | 1.40Å | Aromatic |
O4 | C4 | doub | 1.22Å | 1.27Å | |
C2' | C1' | sing | 1.54Å | 1.52Å | |
C2' | C3' | sing | 1.55Å | 1.51Å | |
C4 | C5 | sing | 1.47Å | 1.40Å | |
C25 | C24 | doub | 1.36Å | 1.40Å | Aromatic |
N1 | C1' | sing | 1.47Å | 1.46Å | |
N1 | C6 | sing | 1.36Å | 1.35Å | |
C1' | O4' | sing | 1.45Å | 1.43Å | |
C5 | C6 | doub | 1.38Å | 1.39Å | |
C5 | C5M | sing | 1.47Å | 1.50Å | |
O3' | C3' | sing | 1.43Å | 1.44Å | |
C3' | C4' | sing | 1.54Å | 1.50Å | |
C28 | C33 | doub | 1.40Å | 1.39Å | Aromatic |
C28 | C29 | sing | 1.42Å | 1.41Å | Aromatic |
C33 | C32 | sing | 1.36Å | 1.41Å | Aromatic |
C24 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
C24 | C23 | sing | 1.51Å | 1.52Å | |
C5M | N22 | sing | 1.35Å | 1.33Å | |
C5M | O21 | doub | 1.22Å | 1.22Å | |
N22 | C23 | sing | 1.47Å | 1.44Å | |
C29 | C30 | doub | 1.41Å | 1.41Å | Aromatic |
O4' | C4' | sing | 1.44Å | 1.44Å | |
C4' | C5' | sing | 1.53Å | 1.50Å | |
O5' | C5' | sing | 1.43Å | 1.42Å | |
O5' | P | sing | 1.61Å | 1.70Å | |
C32 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
C30 | C31 | sing | 1.36Å | 1.40Å | Aromatic |
O2P | P | sing | 1.61Å | 1.66Å | |
P | O1P | doub | 1.48Å | 1.66Å | |
O2P | H2 | sing | 0.97Å | 0.95Å | |
C5' | H3 | sing | 1.09Å | 1.10Å | |
C5' | H4 | sing | 1.09Å | 1.10Å | |
C4' | H5 | sing | 1.09Å | 1.10Å | |
C3' | H6 | sing | 1.09Å | 1.10Å | |
C2' | H7 | sing | 1.09Å | 1.10Å | |
C2' | H8 | sing | 1.09Å | 1.10Å | |
C1' | H9 | sing | 1.09Å | 1.10Å | |
C6 | H10 | sing | 1.08Å | 1.08Å | |
N3 | H11 | sing | 0.97Å | 1.00Å | |
N22 | H12 | sing | 0.97Å | 1.00Å | |
C23 | H13 | sing | 1.09Å | 1.10Å | |
C23 | H14 | sing | 1.09Å | 1.10Å | |
C30 | H15 | sing | 1.08Å | 1.08Å | |
C31 | H16 | sing | 1.08Å | 1.08Å | |
C32 | H17 | sing | 1.08Å | 1.08Å | |
C33 | H18 | sing | 1.08Å | 1.08Å | |
C27 | H19 | sing | 1.08Å | 1.08Å | |
C26 | H20 | sing | 1.08Å | 1.08Å | |
C25 | H21 | sing | 1.08Å | 1.08Å | |
O3' | H22 | sing | 0.97Å | 0.95Å | |
P | O3P | sing | 1.61Å | 17.82Å | |
O3P | H1 | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C2 | N3 | 117.3° | 118.9° |
O2 | C2 | N1 | 122.2° | 119.0° |
C27 | C26 | C25 | 118.5° | 121.0° |
C26 | C27 | C28 | 120.9° | 119.7° |
C26 | C27 | H19 | 119.5° | 120.1° |
C27 | C26 | H20 | 120.8° | 119.5° |
C26 | C25 | C24 | 121.1° | 120.9° |
C25 | C26 | H20 | 120.8° | 119.5° |
C26 | C25 | H21 | 119.4° | 119.5° |
C2 | N3 | C4 | 122.8° | 120.4° |
N3 | C2 | N1 | 120.5° | 122.1° |
C2 | N3 | H11 | 118.6° | 119.8° |
N3 | C4 | O4 | 117.1° | 120.7° |
N3 | C4 | C5 | 117.9° | 118.5° |
C4 | N3 | H11 | 118.6° | 119.8° |
C2 | N1 | C1' | 119.2° | 119.2° |
C2 | N1 | C6 | 120.2° | 121.5° |
C27 | C28 | C33 | 120.4° | 121.3° |
C27 | C28 | C29 | 120.4° | 119.3° |
C28 | C27 | H19 | 119.6° | 120.2° |
O4 | C4 | C5 | 125.0° | 120.7° |
C1' | C2' | C3' | 103.4° | 104.1° |
C2' | C1' | N1 | 117.7° | 110.4° |
C2' | C1' | O4' | 104.4° | 104.9° |
C1' | C2' | H7 | 111.0° | 110.6° |
C1' | C2' | H8 | 111.0° | 110.5° |
C2' | C1' | H9 | 108.8° | 110.4° |
C2' | C3' | O3' | 111.3° | 110.7° |
C2' | C3' | C4' | 103.6° | 104.1° |
C2' | C3' | H6 | 113.9° | 110.5° |
C3' | C2' | H7 | 110.9° | 110.4° |
C3' | C2' | H8 | 111.0° | 110.5° |
C4 | C5 | C6 | 118.8° | 118.1° |
C4 | C5 | C5M | 122.7° | 121.0° |
C25 | C24 | C29 | 120.2° | 119.7° |
C25 | C24 | C23 | 120.7° | 120.1° |
C24 | C25 | H21 | 119.5° | 119.5° |
C1' | N1 | C6 | 120.5° | 119.3° |
N1 | C1' | O4' | 105.8° | 110.4° |
N1 | C1' | H9 | 109.6° | 110.4° |
N1 | C6 | C5 | 119.8° | 119.3° |
N1 | C6 | H10 | 120.1° | 120.3° |
C1' | O4' | C4' | 109.8° | 105.2° |
O4' | C1' | H9 | 110.1° | 110.3° |
C6 | C5 | C5M | 118.6° | 121.0° |
C5 | C6 | H10 | 120.1° | 120.3° |
C5 | C5M | N22 | 120.8° | 120.0° |
C5 | C5M | O21 | 119.3° | 120.0° |
O3' | C3' | C4' | 96.8° | 110.5° |
O3' | C3' | H6 | 115.3° | 110.4° |
C3' | O3' | H22 | 109.5° | 114.0° |
C3' | C4' | O4' | 107.6° | 104.9° |
C3' | C4' | C5' | 110.1° | 110.4° |
C3' | C4' | H5 | 108.4° | 110.4° |
C4' | C3' | H6 | 114.2° | 110.5° |
C33 | C28 | C29 | 119.2° | 119.4° |
C28 | C33 | C32 | 120.8° | 119.7° |
C28 | C33 | H18 | 119.6° | 120.2° |
C28 | C29 | C24 | 118.9° | 119.4° |
C28 | C29 | C30 | 120.2° | 119.4° |
C33 | C32 | C31 | 120.4° | 121.0° |
C33 | C32 | H17 | 119.8° | 119.5° |
C32 | C33 | H18 | 119.6° | 120.1° |
C29 | C24 | C23 | 119.1° | 120.2° |
C24 | C29 | C30 | 120.9° | 121.3° |
C24 | C23 | N22 | 109.8° | 109.4° |
C24 | C23 | H13 | 109.4° | 109.5° |
C24 | C23 | H14 | 109.4° | 109.5° |
N22 | C5M | O21 | 119.9° | 120.0° |
C5M | N22 | C23 | 124.1° | 120.0° |
C5M | N22 | H12 | 118.0° | 120.0° |
C23 | N22 | H12 | 118.0° | 120.0° |
N22 | C23 | H13 | 109.4° | 109.4° |
N22 | C23 | H14 | 109.4° | 109.4° |
C29 | C30 | C31 | 120.4° | 119.6° |
C29 | C30 | H15 | 119.8° | 120.3° |
O4' | C4' | C5' | 113.1° | 110.4° |
O4' | C4' | H5 | 109.2° | 110.4° |
C4' | C5' | O5' | 112.1° | 109.5° |
C4' | C5' | H3 | 108.8° | 109.4° |
C4' | C5' | H4 | 108.8° | 109.5° |
C5' | C4' | H5 | 108.4° | 110.3° |
C5' | O5' | P | 104.1° | 122.9° |
O5' | C5' | H3 | 108.8° | 109.5° |
O5' | C5' | H4 | 108.8° | 109.5° |
O5' | P | O2P | 110.5° | 109.5° |
O5' | P | O1P | 120.9° | 109.5° |
O5' | P | O3P | 5.3° | 109.4° |
C32 | C31 | C30 | 119.0° | 121.0° |
C32 | C31 | H16 | 120.5° | 119.5° |
C31 | C32 | H17 | 119.8° | 119.5° |
C31 | C30 | H15 | 119.8° | 120.1° |
C30 | C31 | H16 | 120.5° | 119.5° |
O2P | P | O1P | 125.8° | 109.5° |
P | O2P | H2 | 109.5° | 114.0° |
O2P | P | O3P | 112.0° | 109.4° |
O1P | P | O3P | 117.8° | 109.4° |
H3 | C5' | H4 | 109.5° | 109.4° |
H7 | C2' | H8 | 109.5° | 110.6° |
H13 | C23 | H14 | 109.4° | 109.5° |
P | O3P | H1 | 90.0° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | N3 | N1 | 179.7° | 179.5° |
O2 | C2 | N3 | C4 | 178.4° | 180.0° |
O2 | C2 | N1 | C1' | 2.3° | 0.2° |
O2 | C2 | N1 | C6 | 178.1° | 180.0° |
O2 | C2 | N3 | H11 | 1.6° | 0.6° |
C27 | C26 | C25 | H20 | 180.0° | 179.9° |
C26 | C27 | C28 | H19 | 180.0° | 180.0° |
C27 | C26 | C25 | C24 | 1.6° | 0.3° |
C26 | C27 | C28 | C33 | 179.5° | 179.9° |
C26 | C27 | C28 | C29 | 0.2° | 0.1° |
C27 | C26 | C25 | H21 | 178.4° | 180.0° |
C25 | C26 | C27 | C28 | 1.1° | 0.1° |
C26 | C25 | C24 | H21 | 180.0° | 179.7° |
C26 | C25 | C24 | C29 | 0.9° | 0.4° |
C26 | C25 | C24 | C23 | 180.0° | 179.9° |
C25 | C26 | C27 | H19 | 179.0° | 179.9° |
C2 | N3 | C4 | H11 | 180.0° | 179.4° |
C2 | N3 | C4 | O4 | 179.9° | 179.7° |
C2 | N3 | C4 | C5 | 1.2° | 0.3° |
N3 | C2 | N1 | C1' | 178.0° | 179.7° |
N3 | C2 | N1 | C6 | 2.2° | 0.5° |
C4 | N3 | C2 | N1 | 2.0° | 0.6° |
N3 | C4 | O4 | C5 | 178.6° | 180.0° |
N3 | C4 | C5 | C6 | 0.7° | 0.0° |
N3 | C4 | C5 | C5M | 179.7° | 179.9° |
C2 | N1 | C1' | C2' | 105.2° | 65.2° |
C2 | N1 | C1' | C6 | 175.8° | 179.8° |
C2 | N1 | C1' | O4' | 138.7° | 50.2° |
C2 | N1 | C6 | C5 | 1.7° | 0.2° |
C2 | N1 | C1' | H9 | 20.0° | 172.4° |
C2 | N1 | C6 | H10 | 178.2° | 179.7° |
N1 | C2 | N3 | H11 | 178.1° | 180.0° |
C27 | C28 | C33 | C29 | 179.3° | 180.0° |
C27 | C28 | C33 | C32 | 179.9° | 180.0° |
C27 | C28 | C29 | C24 | 0.9° | 0.0° |
C27 | C28 | C29 | C30 | 179.3° | 180.0° |
C27 | C28 | C33 | H18 | 0.1° | 0.1° |
C28 | C27 | C26 | H20 | 179.0° | 180.0° |
O4 | C4 | C5 | C6 | 179.3° | 180.0° |
O4 | C4 | C5 | C5M | 1.1° | 0.1° |
O4 | C4 | N3 | H11 | 0.1° | 0.3° |
C1' | C2' | C3' | H7 | 119.0° | 118.7° |
C1' | C2' | C3' | H8 | 119.1° | 118.7° |
C2' | C1' | N1 | O4' | 116.1° | 115.5° |
C2' | C1' | N1 | H9 | 125.1° | 122.3° |
C2' | C1' | N1 | C6 | 79.0° | 115.0° |
C2' | C1' | O4' | H9 | 116.7° | 118.9° |
C1' | C2' | C3' | O3' | 72.9° | 118.7° |
C1' | C2' | C3' | C4' | 30.1° | 0.1° |
C2' | C1' | O4' | C4' | 23.6° | 40.4° |
C1' | C2' | C3' | H6 | 154.7° | 118.7° |
C1' | C2' | H7 | H8 | 122.8° | 122.8° |
C3' | C2' | C1' | N1 | 150.1° | 142.8° |
C3' | C2' | C1' | O4' | 33.2° | 24.0° |
C2' | C3' | O3' | C4' | 107.5° | 114.7° |
C2' | C3' | O3' | H6 | 131.7° | 122.7° |
C2' | C3' | C4' | H6 | 124.4° | 118.6° |
C2' | C3' | C4' | O4' | 16.7° | 23.9° |
C2' | C3' | C4' | C5' | 107.0° | 142.8° |
C2' | C3' | C4' | H5 | 134.6° | 95.0° |
C3' | C2' | H7 | H8 | 122.8° | 122.6° |
C3' | C2' | C1' | H9 | 84.4° | 94.8° |
C2' | C3' | O3' | H22 | 180.0° | 65.2° |
C4 | C5 | C6 | N1 | 1.0° | 0.1° |
C4 | C5 | C6 | C5M | 179.6° | 179.9° |
C4 | C5 | C5M | N22 | 21.5° | 5.8° |
C4 | C5 | C5M | O21 | 160.4° | 174.4° |
C4 | C5 | C6 | H10 | 179.0° | 180.0° |
C5 | C4 | N3 | H11 | 178.8° | 179.7° |
C25 | C24 | C29 | C28 | 0.3° | 0.2° |
C25 | C24 | C29 | C23 | 179.1° | 179.7° |
C25 | C24 | C23 | N22 | 3.2° | 100.3° |
C25 | C24 | C29 | C30 | 178.7° | 179.7° |
C25 | C24 | C23 | H13 | 123.2° | 139.8° |
C25 | C24 | C23 | H14 | 116.9° | 19.7° |
C24 | C25 | C26 | H20 | 178.4° | 179.7° |
N1 | C1' | O4' | H9 | 118.4° | 122.3° |
C1' | N1 | C6 | C5 | 177.5° | 180.0° |
N1 | C1' | O4' | C4' | 148.5° | 159.3° |
N1 | C1' | C2' | H7 | 90.9° | 24.3° |
N1 | C1' | C2' | H8 | 31.0° | 98.5° |
C1' | N1 | C6 | H10 | 2.5° | 0.0° |
C6 | N1 | C1' | O4' | 37.1° | 129.6° |
N1 | C6 | C5 | H10 | 180.0° | 179.9° |
N1 | C6 | C5 | C5M | 179.4° | 180.0° |
C6 | N1 | C1' | H9 | 155.9° | 7.4° |
C1' | O4' | C4' | C3' | 4.4° | 40.4° |
C1' | O4' | C4' | C5' | 126.2° | 159.3° |
C1' | O4' | C4' | H5 | 113.0° | 78.5° |
O4' | C1' | C2' | H7 | 152.2° | 94.6° |
O4' | C1' | C2' | H8 | 85.9° | 142.6° |
C6 | C5 | C5M | N22 | 158.1° | 174.3° |
C6 | C5 | C5M | O21 | 20.0° | 5.5° |
C5 | C5M | N22 | O21 | 178.0° | 179.9° |
C5 | C5M | N22 | C23 | 179.3° | 174.9° |
C5M | C5 | C6 | H10 | 0.6° | 0.1° |
C5 | C5M | N22 | H12 | 0.8° | 5.1° |
O3' | C3' | C4' | H6 | 121.6° | 122.5° |
O3' | C3' | C4' | O4' | 97.2° | 142.7° |
O3' | C3' | C4' | C5' | 139.1° | 98.4° |
O3' | C3' | C4' | H5 | 20.7° | 23.9° |
O3' | C3' | C2' | H7 | 46.2° | 122.6° |
O3' | C3' | C2' | H8 | 168.1° | 0.0° |
C3' | C4' | O4' | C5' | 121.8° | 118.9° |
C3' | C4' | O4' | H5 | 117.4° | 118.9° |
C3' | C4' | C5' | H5 | 118.4° | 122.3° |
C3' | C4' | C5' | O5' | 60.2° | 176.5° |
C3' | C4' | C5' | H3 | 179.3° | 63.4° |
C3' | C4' | C5' | H4 | 60.1° | 56.5° |
C4' | C3' | C2' | H7 | 149.1° | 118.6° |
C4' | C3' | C2' | H8 | 89.0° | 118.7° |
C4' | C3' | O3' | H22 | 72.5° | 180.0° |
C28 | C33 | C32 | H18 | 180.0° | 180.0° |
C33 | C28 | C29 | C24 | 179.8° | 180.0° |
C33 | C28 | C29 | C30 | 1.4° | 0.0° |
C28 | C33 | C32 | C31 | 0.5° | 0.0° |
C28 | C33 | C32 | H17 | 179.5° | 180.0° |
C33 | C28 | C27 | H19 | 0.5° | 0.0° |
C29 | C28 | C33 | C32 | 0.6° | 0.0° |
C28 | C29 | C24 | C30 | 178.4° | 180.0° |
C28 | C29 | C24 | C23 | 178.8° | 180.0° |
C28 | C29 | C30 | C31 | 1.0° | 0.0° |
C28 | C29 | C30 | H15 | 179.0° | 180.0° |
C29 | C28 | C33 | H18 | 179.4° | 180.0° |
C29 | C28 | C27 | H19 | 179.8° | 180.0° |
C33 | C32 | C31 | H17 | 180.0° | 180.0° |
C33 | C32 | C31 | C30 | 0.9° | 0.0° |
C33 | C32 | C31 | H16 | 179.1° | 180.0° |
C29 | C24 | C23 | N22 | 177.7° | 80.0° |
C24 | C29 | C30 | C31 | 179.4° | 180.0° |
C29 | C24 | C23 | H13 | 57.7° | 39.9° |
C29 | C24 | C23 | H14 | 62.2° | 160.0° |
C24 | C29 | C30 | H15 | 0.6° | 0.0° |
C29 | C24 | C25 | H21 | 179.1° | 179.9° |
C24 | C23 | N22 | C5M | 105.7° | 180.0° |
C24 | C23 | N22 | H13 | 120.1° | 120.0° |
C24 | C23 | N22 | H14 | 120.1° | 120.0° |
C23 | C24 | C29 | C30 | 0.3° | 0.0° |
C24 | C23 | N22 | H12 | 74.2° | 0.1° |
C24 | C23 | H13 | H14 | 119.8° | 120.1° |
C23 | C24 | C25 | H21 | 0.0° | 0.2° |
C5M | N22 | C23 | H12 | 180.0° | 180.0° |
C5M | N22 | C23 | H13 | 14.3° | 60.0° |
C5M | N22 | C23 | H14 | 134.2° | 60.0° |
O21 | C5M | N22 | C23 | 1.2° | 5.0° |
O21 | C5M | N22 | H12 | 178.8° | 175.0° |
N22 | C23 | H13 | H14 | 119.9° | 119.9° |
C29 | C30 | C31 | C32 | 0.2° | 0.0° |
C29 | C30 | C31 | H15 | 180.0° | 180.0° |
C29 | C30 | C31 | H16 | 179.8° | 180.0° |
O4' | C4' | C5' | H5 | 121.2° | 122.2° |
O4' | C4' | C5' | O5' | 60.2° | 67.9° |
O4' | C4' | C5' | H3 | 60.2° | 52.1° |
O4' | C4' | C5' | H4 | 179.4° | 172.0° |
O4' | C4' | C3' | H6 | 141.1° | 94.7° |
C4' | O4' | C1' | H9 | 93.1° | 78.5° |
C4' | C5' | O5' | H3 | 120.4° | 120.0° |
C4' | C5' | O5' | H4 | 120.4° | 120.1° |
C4' | C5' | O5' | P | 178.5° | 180.0° |
C4' | C5' | H3 | H4 | 118.8° | 120.0° |
C5' | C4' | C3' | H6 | 17.4° | 24.2° |
C5' | O5' | P | O2P | 70.2° | 65.0° |
C5' | O5' | P | O1P | 92.0° | 55.0° |
O5' | C5' | H3 | H4 | 118.8° | 120.1° |
O5' | C5' | C4' | H5 | 178.6° | 54.3° |
C5' | O5' | P | O3P | 37.2° | 175.0° |
O5' | P | O2P | O1P | 161.1° | 120.1° |
O5' | P | O2P | O3P | 5.4° | 120.0° |
O5' | P | O1P | O3P | 4.8° | 119.9° |
O5' | P | O2P | H2 | 161.1° | 60.0° |
P | O5' | C5' | H3 | 61.2° | 60.0° |
P | O5' | C5' | H4 | 58.1° | 60.0° |
O5' | P | O3P | H1 | 90.0° | 180.0° |
C32 | C31 | C30 | H16 | 180.0° | 180.0° |
C32 | C31 | C30 | H15 | 179.8° | 180.0° |
C31 | C32 | C33 | H18 | 179.5° | 180.0° |
C30 | C31 | C32 | H17 | 179.1° | 180.0° |
O2P | P | O1P | O3P | 154.4° | 120.0° |
O2P | P | O3P | H1 | 90.0° | 60.0° |
O1P | P | O2P | H2 | 0.0° | 179.9° |
O1P | P | O3P | H1 | 90.0° | 60.0° |
H2 | O2P | P | O3P | 155.7° | 60.0° |
H3 | C5' | C4' | H5 | 61.0° | 174.3° |
H4 | C5' | C4' | H5 | 58.2° | 65.8° |
H5 | C4' | C3' | H6 | 100.9° | 146.4° |
H6 | C3' | C2' | H7 | 86.3° | 0.0° |
H6 | C3' | C2' | H8 | 35.7° | 122.6° |
H6 | C3' | O3' | H22 | 48.3° | 57.4° |
H7 | C2' | C1' | H9 | 34.6° | 146.6° |
H8 | C2' | C1' | H9 | 156.6° | 23.8° |
H12 | N22 | C23 | H13 | 165.7° | 120.0° |
H12 | N22 | C23 | H14 | 45.8° | 120.0° |
H15 | C30 | C31 | H16 | 0.2° | 0.0° |
H16 | C31 | C32 | H17 | 0.9° | 0.0° |
H17 | C32 | C33 | H18 | 0.5° | 0.0° |
H19 | C27 | C26 | H20 | 1.0° | 0.1° |
H20 | C26 | C25 | H21 | 1.6° | 0.1° |