YSU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.38Å | |
| C2 | N1 | sing | 1.35Å | 1.38Å | |
| N3 | C4 | sing | 1.35Å | 1.39Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C1' | N1 | sing | 1.47Å | 1.48Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| N1 | C6 | sing | 1.37Å | 1.39Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| C4 | O4 | doub | 1.22Å | 1.25Å | |
| C4 | C5 | sing | 1.42Å | 1.43Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C6 | C5 | doub | 1.35Å | 1.35Å | |
| C5' | O5' | sing | 1.43Å | 1.45Å | |
| O5' | SBI | sing | 1.52Å | 1.59Å | |
| CE2 | CD2 | doub | 1.38Å | 1.38Å | Aromatic |
| CE2 | CZ | sing | 1.39Å | 1.39Å | Aromatic |
| CD2 | CG | sing | 1.38Å | 1.39Å | Aromatic |
| SBI | NAT | sing | 1.66Å | 1.59Å | |
| SBI | OAE | doub | 1.42Å | 1.42Å | |
| SBI | OAD | doub | 1.42Å | 1.42Å | |
| NAT | C | sing | 1.35Å | 1.37Å | |
| OH | CZ | sing | 1.36Å | 1.37Å | |
| CZ | CE1 | doub | 1.39Å | 1.39Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.51Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| CE1 | CD1 | sing | 1.38Å | 1.38Å | Aromatic |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CD2 | H7 | sing | 1.08Å | 1.08Å | |
| CE2 | H8 | sing | 1.08Å | 1.08Å | |
| OH | H9 | sing | 0.97Å | 0.95Å | |
| CE1 | H10 | sing | 1.08Å | 1.08Å | |
| CD1 | H11 | sing | 1.08Å | 1.08Å | |
| NAT | H12 | sing | 0.97Å | 1.00Å | |
| C5' | H13 | sing | 1.09Å | 1.10Å | |
| C5' | H14 | sing | 1.09Å | 1.10Å | |
| C4' | H15 | sing | 1.09Å | 1.10Å | |
| C1' | H16 | sing | 1.09Å | 1.10Å | |
| C2' | H17 | sing | 1.09Å | 1.10Å | |
| O2' | H18 | sing | 0.97Å | 0.95Å | |
| C3' | H19 | sing | 1.09Å | 1.10Å | |
| O3' | H20 | sing | 0.97Å | 0.95Å | |
| C6 | H21 | sing | 1.08Å | 1.08Å | |
| C5 | H22 | sing | 1.08Å | 1.08Å | |
| N3 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 122.0° | 119.5° |
| O2 | C2 | N1 | 122.9° | 119.6° |
| N3 | C2 | N1 | 115.0° | 120.9° |
| C2 | N3 | C4 | 126.9° | 120.3° |
| C2 | N3 | H23 | 116.6° | 119.8° |
| C2 | N1 | C1' | 117.9° | 119.7° |
| C2 | N1 | C6 | 121.2° | 120.6° |
| N3 | C4 | O4 | 119.7° | 120.4° |
| N3 | C4 | C5 | 114.9° | 119.4° |
| C4 | N3 | H23 | 116.5° | 119.9° |
| C1' | O4' | C4' | 109.6° | 105.3° |
| O4' | C1' | N1 | 108.5° | 110.4° |
| O4' | C1' | C2' | 105.6° | 104.8° |
| O4' | C1' | H16 | 110.7° | 110.4° |
| O4' | C4' | C3' | 106.4° | 104.8° |
| O4' | C4' | C5' | 110.3° | 110.4° |
| O4' | C4' | H15 | 108.7° | 110.5° |
| N1 | C1' | C2' | 113.0° | 110.4° |
| C1' | N1 | C6 | 120.8° | 119.7° |
| N1 | C1' | H16 | 109.8° | 110.3° |
| C1' | C2' | O2' | 110.1° | 110.6° |
| C1' | C2' | C3' | 100.9° | 104.0° |
| C2' | C1' | H16 | 109.1° | 110.4° |
| C1' | C2' | H17 | 110.7° | 110.5° |
| N1 | C6 | C5 | 122.4° | 119.7° |
| N1 | C6 | H21 | 118.8° | 120.2° |
| O3' | C3' | C4' | 110.0° | 110.5° |
| O3' | C3' | C2' | 111.0° | 110.5° |
| O3' | C3' | H19 | 111.9° | 110.6° |
| C3' | O3' | H20 | 109.5° | 114.0° |
| O4 | C4 | C5 | 125.4° | 120.3° |
| C4 | C5 | C6 | 119.6° | 119.1° |
| C4 | C5 | H22 | 120.2° | 120.4° |
| C3' | C4' | C5' | 115.9° | 110.4° |
| C4' | C3' | C2' | 102.9° | 104.0° |
| C3' | C4' | H15 | 107.6° | 110.3° |
| C4' | C3' | H19 | 110.2° | 110.5° |
| C4' | C5' | O5' | 107.1° | 109.5° |
| C4' | C5' | H13 | 110.1° | 109.5° |
| C4' | C5' | H14 | 110.1° | 109.4° |
| C5' | C4' | H15 | 107.8° | 110.3° |
| O2' | C2' | C3' | 111.4° | 110.6° |
| O2' | C2' | H17 | 112.5° | 110.5° |
| C2' | O2' | H18 | 109.5° | 114.0° |
| C3' | C2' | H17 | 110.8° | 110.4° |
| C2' | C3' | H19 | 110.4° | 110.5° |
| C5 | C6 | H21 | 118.8° | 120.2° |
| C6 | C5 | H22 | 120.1° | 120.5° |
| C5' | O5' | SBI | 118.2° | 114.0° |
| O5' | C5' | H13 | 110.1° | 109.4° |
| O5' | C5' | H14 | 110.1° | 109.5° |
| O5' | SBI | NAT | 103.4° | 107.2° |
| O5' | SBI | OAE | 106.7° | 106.4° |
| O5' | SBI | OAD | 107.9° | 106.4° |
| CD2 | CE2 | CZ | 119.9° | 120.0° |
| CE2 | CD2 | CG | 121.0° | 120.1° |
| CE2 | CD2 | H7 | 119.5° | 120.0° |
| CD2 | CE2 | H8 | 120.0° | 120.1° |
| CE2 | CZ | OH | 119.7° | 120.1° |
| CE2 | CZ | CE1 | 119.8° | 119.9° |
| CZ | CE2 | H8 | 120.1° | 120.0° |
| CD2 | CG | CB | 120.7° | 120.0° |
| CD2 | CG | CD1 | 118.6° | 120.1° |
| CG | CD2 | H7 | 119.5° | 120.0° |
| NAT | SBI | OAE | 101.0° | 106.4° |
| NAT | SBI | OAD | 115.2° | 106.4° |
| SBI | NAT | C | 129.6° | 120.0° |
| SBI | NAT | H12 | 115.2° | 120.0° |
| OAE | SBI | OAD | 121.0° | 123.1° |
| NAT | C | CA | 112.5° | 120.0° |
| NAT | C | O | 119.6° | 120.0° |
| C | NAT | H12 | 115.2° | 119.9° |
| OH | CZ | CE1 | 120.6° | 120.1° |
| CZ | OH | H9 | 109.5° | 114.0° |
| CZ | CE1 | CD1 | 119.9° | 120.0° |
| CZ | CE1 | H10 | 120.1° | 120.0° |
| CB | CG | CD1 | 120.7° | 120.0° |
| CG | CB | CA | 113.8° | 109.5° |
| CG | CB | H5 | 108.4° | 109.5° |
| CG | CB | H6 | 108.4° | 109.5° |
| CG | CD1 | CE1 | 120.9° | 120.1° |
| CG | CD1 | H11 | 119.5° | 119.9° |
| CB | CA | C | 101.9° | 109.5° |
| CB | CA | N | 109.2° | 109.5° |
| CB | CA | H4 | 112.6° | 109.5° |
| CA | CB | H5 | 108.3° | 109.5° |
| CA | CB | H6 | 108.4° | 109.5° |
| C | CA | N | 105.7° | 109.5° |
| CA | C | O | 127.8° | 120.0° |
| C | CA | H4 | 112.9° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | H4 | 113.7° | 109.4° |
| CD1 | CE1 | H10 | 120.1° | 120.1° |
| CE1 | CD1 | H11 | 119.5° | 120.0° |
| H1 | N | H2 | 109.5° | 111.0° |
| H5 | CB | H6 | 109.5° | 109.5° |
| H13 | C5' | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 176.6° | 179.6° |
| O2 | C2 | N3 | C4 | 176.8° | 179.9° |
| O2 | C2 | N1 | C1' | 2.2° | 0.2° |
| O2 | C2 | N1 | C6 | 176.9° | 180.0° |
| O2 | C2 | N3 | H23 | 3.2° | 0.2° |
| C2 | N3 | C4 | H23 | 180.0° | 179.7° |
| N3 | C2 | N1 | C1' | 178.7° | 179.8° |
| N3 | C2 | N1 | C6 | 0.4° | 0.5° |
| C2 | N3 | C4 | O4 | 177.9° | 179.8° |
| C2 | N3 | C4 | C5 | 0.4° | 0.2° |
| N1 | C2 | N3 | C4 | 0.2° | 0.5° |
| C2 | N1 | C1' | O4' | 122.5° | 53.3° |
| C2 | N1 | C1' | C6 | 179.1° | 179.8° |
| C2 | N1 | C1' | C2' | 120.7° | 62.1° |
| C2 | N1 | C6 | C5 | 0.8° | 0.2° |
| C2 | N1 | C1' | H16 | 1.4° | 175.6° |
| C2 | N1 | C6 | H21 | 179.2° | 179.8° |
| N1 | C2 | N3 | H23 | 179.8° | 179.8° |
| N3 | C4 | O4 | C5 | 178.1° | 180.0° |
| N3 | C4 | C5 | C6 | 0.8° | 0.0° |
| N3 | C4 | C5 | H22 | 179.2° | 180.0° |
| O4' | C1' | N1 | C2' | 116.8° | 115.4° |
| O4' | C1' | N1 | H16 | 121.2° | 122.3° |
| O4' | C1' | C2' | H16 | 119.0° | 118.9° |
| O4' | C1' | N1 | C6 | 56.5° | 126.5° |
| C1' | O4' | C4' | C3' | 2.3° | 40.5° |
| C1' | O4' | C4' | C5' | 128.7° | 159.4° |
| O4' | C1' | C2' | O2' | 155.2° | 142.7° |
| O4' | C1' | C2' | C3' | 37.5° | 24.0° |
| C1' | O4' | C4' | H15 | 113.3° | 78.3° |
| O4' | C1' | C2' | H17 | 79.8° | 94.6° |
| C4' | O4' | C1' | N1 | 146.7° | 159.4° |
| C4' | O4' | C1' | C2' | 25.2° | 40.5° |
| O4' | C4' | C3' | O3' | 97.0° | 142.6° |
| O4' | C4' | C3' | C5' | 123.0° | 118.8° |
| O4' | C4' | C3' | H15 | 116.3° | 118.9° |
| O4' | C4' | C5' | H15 | 118.6° | 122.4° |
| O4' | C4' | C3' | C2' | 21.4° | 24.0° |
| O4' | C4' | C5' | O5' | 58.7° | 69.6° |
| O4' | C4' | C5' | H13 | 60.9° | 50.4° |
| O4' | C4' | C5' | H14 | 178.3° | 170.3° |
| C4' | O4' | C1' | H16 | 92.7° | 78.4° |
| O4' | C4' | C3' | H19 | 139.1° | 94.7° |
| N1 | C1' | C2' | H16 | 122.5° | 122.2° |
| N1 | C1' | C2' | O2' | 86.3° | 98.4° |
| N1 | C1' | C2' | C3' | 155.9° | 142.8° |
| C1' | N1 | C6 | C5 | 178.3° | 180.0° |
| N1 | C1' | C2' | H17 | 38.7° | 24.3° |
| C1' | N1 | C6 | H21 | 1.7° | 0.0° |
| C2' | C1' | N1 | C6 | 60.2° | 118.1° |
| C1' | C2' | C3' | O3' | 82.9° | 118.6° |
| C1' | C2' | C3' | C4' | 34.8° | 0.0° |
| C1' | C2' | O2' | C3' | 111.0° | 114.7° |
| C1' | C2' | O2' | H17 | 124.0° | 122.7° |
| C1' | C2' | C3' | H17 | 117.3° | 118.6° |
| C1' | C2' | O2' | H18 | 180.0° | 180.0° |
| C1' | C2' | C3' | H19 | 152.4° | 118.6° |
| N1 | C6 | C5 | C4 | 1.0° | 0.0° |
| N1 | C6 | C5 | H21 | 180.0° | 180.0° |
| C6 | N1 | C1' | H16 | 177.7° | 4.2° |
| N1 | C6 | C5 | H22 | 179.0° | 180.0° |
| O3' | C3' | C4' | C2' | 118.4° | 118.6° |
| O3' | C3' | C4' | H19 | 123.9° | 122.7° |
| O3' | C3' | C4' | C5' | 140.0° | 98.5° |
| O3' | C3' | C2' | O2' | 33.9° | 0.1° |
| O3' | C3' | C2' | H19 | 124.7° | 122.7° |
| O3' | C3' | C4' | H15 | 19.3° | 23.7° |
| O3' | C3' | C2' | H17 | 159.8° | 122.7° |
| O4 | C4 | C5 | C6 | 177.5° | 180.0° |
| O4 | C4 | C5 | H22 | 2.5° | 0.1° |
| O4 | C4 | N3 | H23 | 2.1° | 0.0° |
| C4 | C5 | C6 | H22 | 180.0° | 179.9° |
| C4 | C5 | C6 | H21 | 179.0° | 180.0° |
| C5 | C4 | N3 | H23 | 179.6° | 179.9° |
| C3' | C4' | C5' | H15 | 120.6° | 122.2° |
| C4' | C3' | C2' | O2' | 151.6° | 118.8° |
| C4' | C3' | C2' | H19 | 117.6° | 118.6° |
| C3' | C4' | C5' | O5' | 62.2° | 175.0° |
| C3' | C4' | C5' | H13 | 178.2° | 65.0° |
| C3' | C4' | C5' | H14 | 57.4° | 54.9° |
| C4' | C3' | C2' | H17 | 82.5° | 118.6° |
| C4' | C3' | O3' | H20 | 180.0° | 180.0° |
| C5' | C4' | C3' | C2' | 101.6° | 142.8° |
| C4' | C5' | O5' | H13 | 119.6° | 120.0° |
| C4' | C5' | O5' | H14 | 119.6° | 120.0° |
| C4' | C5' | O5' | SBI | 137.3° | 180.0° |
| C4' | C5' | H13 | H14 | 121.1° | 119.9° |
| C5' | C4' | C3' | H19 | 16.1° | 24.2° |
| O2' | C2' | C3' | H17 | 125.9° | 122.6° |
| O2' | C2' | C1' | H16 | 36.2° | 23.8° |
| O2' | C2' | C3' | H19 | 90.8° | 122.6° |
| C2' | C3' | C4' | H15 | 137.7° | 94.9° |
| C3' | C2' | C1' | H16 | 81.6° | 94.9° |
| C3' | C2' | O2' | H18 | 69.0° | 65.3° |
| C2' | C3' | O3' | H20 | 66.7° | 65.4° |
| C5' | O5' | SBI | NAT | 49.8° | 75.0° |
| C5' | O5' | SBI | OAE | 56.3° | 171.4° |
| C5' | O5' | SBI | OAD | 172.2° | 38.5° |
| O5' | C5' | H13 | H14 | 121.1° | 120.0° |
| O5' | C5' | C4' | H15 | 177.2° | 52.8° |
| O5' | SBI | NAT | OAE | 110.4° | 113.5° |
| O5' | SBI | NAT | OAD | 117.4° | 113.6° |
| O5' | SBI | OAE | OAD | 123.7° | 122.9° |
| O5' | SBI | NAT | C | 164.8° | 65.0° |
| O5' | SBI | NAT | H12 | 15.3° | 115.0° |
| SBI | O5' | C5' | H13 | 103.1° | 60.0° |
| SBI | O5' | C5' | H14 | 17.7° | 60.0° |
| CD2 | CE2 | CZ | H8 | 180.0° | 180.0° |
| CE2 | CD2 | CG | H7 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | OH | 178.1° | 179.9° |
| CD2 | CE2 | CZ | CE1 | 0.9° | 0.0° |
| CE2 | CD2 | CG | CB | 178.0° | 180.0° |
| CE2 | CD2 | CG | CD1 | 0.8° | 0.3° |
| CZ | CE2 | CD2 | CG | 1.4° | 0.0° |
| CE2 | CZ | OH | CE1 | 179.0° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.1° | 0.3° |
| CZ | CE2 | CD2 | H7 | 178.7° | 180.0° |
| CE2 | CZ | OH | H9 | 180.0° | 90.0° |
| CE2 | CZ | CE1 | H10 | 179.9° | 179.9° |
| CD2 | CG | CB | CD1 | 178.8° | 179.7° |
| CD2 | CG | CB | CA | 60.1° | 89.7° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.5° |
| CD2 | CG | CB | H5 | 60.5° | 150.2° |
| CD2 | CG | CB | H6 | 179.2° | 30.2° |
| CG | CD2 | CE2 | H8 | 178.6° | 180.0° |
| CD2 | CG | CD1 | H11 | 179.8° | 179.8° |
| NAT | SBI | OAE | OAD | 128.5° | 123.0° |
| SBI | NAT | C | H12 | 180.0° | 179.9° |
| SBI | NAT | C | CA | 174.3° | 180.0° |
| SBI | NAT | C | O | 1.9° | 0.1° |
| OAE | SBI | NAT | C | 84.9° | 48.6° |
| OAE | SBI | NAT | H12 | 95.1° | 131.5° |
| OAD | SBI | NAT | C | 47.3° | 178.5° |
| OAD | SBI | NAT | H12 | 132.7° | 1.4° |
| NAT | C | CA | CB | 80.9° | 80.0° |
| NAT | C | CA | O | 175.8° | 179.9° |
| NAT | C | CA | N | 165.0° | 160.0° |
| NAT | C | CA | H4 | 40.1° | 40.0° |
| OH | CZ | CE1 | CD1 | 179.1° | 179.7° |
| OH | CZ | CE2 | H8 | 1.9° | 0.0° |
| OH | CZ | CE1 | H10 | 0.9° | 0.1° |
| CZ | CE1 | CD1 | CG | 0.6° | 0.5° |
| CZ | CE1 | CD1 | H10 | 180.0° | 179.8° |
| CE1 | CZ | CE2 | H8 | 179.1° | 180.0° |
| CE1 | CZ | OH | H9 | 1.0° | 89.9° |
| CZ | CE1 | CD1 | H11 | 179.4° | 179.8° |
| CG | CB | CA | H5 | 120.7° | 120.0° |
| CG | CB | CA | H6 | 120.6° | 120.0° |
| CG | CB | CA | C | 169.0° | 175.0° |
| CG | CB | CA | N | 57.6° | 65.0° |
| CB | CG | CD1 | CE1 | 179.0° | 179.8° |
| CG | CB | CA | H4 | 69.8° | 55.0° |
| CG | CB | H5 | H6 | 118.0° | 120.0° |
| CB | CG | CD2 | H7 | 2.0° | 0.0° |
| CB | CG | CD1 | H11 | 1.0° | 0.0° |
| CD1 | CG | CB | CA | 121.1° | 90.0° |
| CG | CD1 | CE1 | H11 | 180.0° | 179.7° |
| CD1 | CG | CB | H5 | 118.3° | 30.0° |
| CD1 | CG | CB | H6 | 0.5° | 150.0° |
| CD1 | CG | CD2 | H7 | 179.2° | 179.7° |
| CG | CD1 | CE1 | H10 | 179.4° | 179.7° |
| CB | CA | C | N | 114.1° | 120.0° |
| CB | CA | C | H4 | 121.0° | 120.0° |
| CB | CA | N | H4 | 126.7° | 120.0° |
| CB | CA | C | O | 94.9° | 100.0° |
| CB | CA | N | H1 | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | H5 | H6 | 118.0° | 120.0° |
| C | CA | N | H4 | 124.4° | 120.0° |
| C | CA | N | H1 | 71.1° | 63.9° |
| C | CA | N | H2 | 48.9° | 60.0° |
| C | CA | CB | H5 | 70.3° | 65.0° |
| C | CA | CB | H6 | 48.4° | 55.0° |
| CA | C | NAT | H12 | 5.7° | 0.1° |
| N | CA | C | O | 19.2° | 20.1° |
| CA | N | H1 | H2 | 120.0° | 123.9° |
| N | CA | CB | H5 | 178.3° | 55.0° |
| N | CA | CB | H6 | 63.0° | 175.0° |
| O | C | CA | H4 | 144.1° | 140.0° |
| O | C | NAT | H12 | 178.1° | 180.0° |
| H1 | N | CA | H4 | 53.3° | 56.1° |
| H2 | N | CA | H4 | 173.3° | 180.0° |
| H4 | CA | CB | H5 | 50.9° | 175.0° |
| H4 | CA | CB | H6 | 169.6° | 65.0° |
| H7 | CD2 | CE2 | H8 | 1.4° | 0.0° |
| H10 | CE1 | CD1 | H11 | 0.6° | 0.0° |
| H13 | C5' | C4' | H15 | 57.6° | 172.8° |
| H14 | C5' | C4' | H15 | 63.2° | 67.3° |
| H15 | C4' | C3' | H19 | 104.6° | 146.4° |
| H16 | C1' | C2' | H17 | 161.1° | 146.5° |
| H17 | C2' | O2' | H18 | 56.0° | 57.3° |
| H17 | C2' | C3' | H19 | 35.1° | 0.0° |
| H19 | C3' | O3' | H20 | 57.1° | 57.3° |
| H21 | C6 | C5 | H22 | 1.0° | 0.0° |
