YSC
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 | 1.33Å | 1.37Å | |
| C2 | N1 | sing | 1.35Å | 1.40Å | |
| N3 | C4 | doub | 1.33Å | 1.35Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C1' | N1 | sing | 1.46Å | 1.48Å | |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| N1 | C6 | sing | 1.36Å | 1.38Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| C4 | N4 | sing | 1.38Å | 1.34Å | |
| C4 | C5 | sing | 1.41Å | 1.43Å | |
| C4' | C3' | sing | 1.55Å | 1.54Å | |
| 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 | 1.47Å | |
| O5' | SBI | sing | 1.52Å | 1.59Å | |
| CE2 | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZ | sing | 1.39Å | 1.39Å | Aromatic |
| CD2 | CG | sing | 1.38Å | 1.39Å | Aromatic |
| SBI | OAE | doub | 1.42Å | 1.42Å | |
| SBI | NAT | sing | 1.66Å | 1.59Å | |
| SBI | OAD | doub | 1.42Å | 1.42Å | |
| NAT | C | sing | 1.35Å | 1.35Å | |
| OH | CZ | sing | 1.36Å | 1.36Å | |
| CZ | CE1 | doub | 1.39Å | 1.39Å | Aromatic |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| CE1 | CD1 | sing | 1.38Å | 1.39Å | 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 | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| N4 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 122.2° | 119.4° |
| O2 | C2 | N1 | 119.0° | 119.5° |
| N3 | C2 | N1 | 118.6° | 121.1° |
| C2 | N3 | C4 | 120.6° | 120.7° |
| C2 | N1 | C1' | 118.4° | 119.8° |
| C2 | N1 | C6 | 120.4° | 120.3° |
| N3 | C4 | N4 | 118.0° | 120.2° |
| N3 | C4 | C5 | 121.6° | 119.7° |
| C1' | O4' | C4' | 109.4° | 105.3° |
| O4' | C1' | N1 | 108.9° | 110.4° |
| O4' | C1' | C2' | 105.4° | 104.8° |
| O4' | C1' | H16 | 110.8° | 110.3° |
| O4' | C4' | C3' | 106.1° | 104.8° |
| O4' | C4' | C5' | 110.2° | 110.4° |
| O4' | C4' | H15 | 109.4° | 110.4° |
| N1 | C1' | C2' | 112.1° | 110.4° |
| C1' | N1 | C6 | 121.0° | 119.8° |
| N1 | C1' | H16 | 110.1° | 110.3° |
| C1' | C2' | O2' | 111.3° | 110.5° |
| C1' | C2' | C3' | 100.7° | 104.1° |
| C2' | C1' | H16 | 109.4° | 110.4° |
| C1' | C2' | H17 | 110.9° | 110.5° |
| N1 | C6 | C5 | 121.3° | 119.3° |
| N1 | C6 | H21 | 119.3° | 120.4° |
| O3' | C3' | C4' | 110.8° | 110.5° |
| O3' | C3' | C2' | 110.2° | 110.5° |
| O3' | C3' | H19 | 111.8° | 110.6° |
| C3' | O3' | H20 | 109.5° | 114.1° |
| N4 | C4 | C5 | 120.3° | 120.2° |
| C4 | N4 | H23 | 120.0° | 120.0° |
| C4 | N4 | H24 | 120.0° | 119.9° |
| C4 | C5 | C6 | 117.5° | 119.0° |
| C4 | C5 | H22 | 121.3° | 120.6° |
| C3' | C4' | C5' | 114.3° | 110.4° |
| C4' | C3' | C2' | 103.3° | 104.1° |
| C3' | C4' | H15 | 108.2° | 110.3° |
| C4' | C3' | H19 | 110.1° | 110.5° |
| C4' | C5' | O5' | 106.3° | 109.5° |
| C4' | C5' | H13 | 110.2° | 109.4° |
| C4' | C5' | H14 | 110.3° | 109.5° |
| C5' | C4' | H15 | 108.5° | 110.4° |
| O2' | C2' | C3' | 109.9° | 110.6° |
| O2' | C2' | H17 | 112.5° | 110.5° |
| C2' | O2' | H18 | 109.5° | 114.0° |
| C3' | C2' | H17 | 110.9° | 110.5° |
| C2' | C3' | H19 | 110.2° | 110.5° |
| C5 | C6 | H21 | 119.4° | 120.3° |
| C6 | C5 | H22 | 121.2° | 120.5° |
| C5' | O5' | SBI | 119.2° | 114.0° |
| O5' | C5' | H13 | 110.3° | 109.4° |
| O5' | C5' | H14 | 110.3° | 109.5° |
| O5' | SBI | OAE | 106.2° | 106.4° |
| O5' | SBI | NAT | 101.5° | 107.2° |
| O5' | SBI | OAD | 108.7° | 106.4° |
| CD2 | CE2 | CZ | 119.8° | 119.9° |
| CE2 | CD2 | CG | 121.0° | 120.1° |
| CE2 | CD2 | H7 | 119.5° | 120.0° |
| CD2 | CE2 | H8 | 120.1° | 120.1° |
| CE2 | CZ | OH | 119.2° | 120.0° |
| CE2 | CZ | CE1 | 119.8° | 119.9° |
| CZ | CE2 | H8 | 120.1° | 120.0° |
| CD2 | CG | CB | 120.7° | 119.9° |
| CD2 | CG | CD1 | 118.5° | 120.1° |
| CG | CD2 | H7 | 119.5° | 119.9° |
| OAE | SBI | NAT | 104.5° | 106.4° |
| OAE | SBI | OAD | 121.1° | 123.1° |
| NAT | SBI | OAD | 113.0° | 106.4° |
| SBI | NAT | C | 130.4° | 120.0° |
| SBI | NAT | H12 | 114.8° | 120.0° |
| NAT | C | CA | 111.6° | 120.0° |
| NAT | C | O | 119.4° | 120.0° |
| C | NAT | H12 | 114.8° | 120.0° |
| OH | CZ | CE1 | 121.0° | 120.1° |
| CZ | OH | H9 | 109.5° | 114.0° |
| CZ | CE1 | CD1 | 119.9° | 120.0° |
| CZ | CE1 | H10 | 120.1° | 120.0° |
| CG | CB | CA | 114.7° | 109.5° |
| CB | CG | CD1 | 120.8° | 120.0° |
| CG | CB | H5 | 108.1° | 109.5° |
| CG | CB | H6 | 108.1° | 109.5° |
| CB | CA | C | 102.6° | 109.5° |
| CB | CA | N | 111.1° | 109.5° |
| CB | CA | H4 | 112.0° | 109.5° |
| CA | CB | H5 | 108.1° | 109.4° |
| CA | CB | H6 | 108.2° | 109.5° |
| CG | CD1 | CE1 | 121.0° | 120.0° |
| CG | CD1 | H11 | 119.5° | 119.9° |
| C | CA | N | 104.5° | 109.5° |
| CA | C | O | 128.8° | 120.0° |
| C | CA | H4 | 112.7° | 109.5° |
| CA | N | H1 | 109.5° | 110.9° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | H4 | 113.2° | 109.5° |
| CD1 | CE1 | H10 | 120.0° | 120.0° |
| CE1 | CD1 | H11 | 119.5° | 120.0° |
| H1 | N | H2 | 109.5° | 111.0° |
| H5 | CB | H6 | 109.5° | 109.4° |
| H13 | C5' | H14 | 109.5° | 109.4° |
| H23 | N4 | H24 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 175.4° | 179.4° |
| O2 | C2 | N3 | C4 | 174.4° | 180.0° |
| O2 | C2 | N1 | C1' | 9.0° | 0.3° |
| O2 | C2 | N1 | C6 | 174.8° | 180.0° |
| N3 | C2 | N1 | C1' | 175.5° | 179.7° |
| N3 | C2 | N1 | C6 | 0.8° | 0.6° |
| C2 | N3 | C4 | N4 | 176.5° | 179.6° |
| C2 | N3 | C4 | C5 | 0.8° | 0.3° |
| N1 | C2 | N3 | C4 | 1.0° | 0.6° |
| C2 | N1 | C1' | O4' | 128.6° | 53.3° |
| C2 | N1 | C1' | C6 | 176.2° | 179.7° |
| C2 | N1 | C1' | C2' | 115.2° | 62.1° |
| C2 | N1 | C6 | C5 | 0.2° | 0.3° |
| C2 | N1 | C1' | H16 | 6.9° | 175.5° |
| C2 | N1 | C6 | H21 | 179.8° | 179.7° |
| N3 | C4 | N4 | C5 | 177.3° | 179.9° |
| N3 | C4 | C5 | C6 | 0.2° | 0.0° |
| N3 | C4 | C5 | H22 | 179.9° | 180.0° |
| N3 | C4 | N4 | H23 | 0.0° | 180.0° |
| N3 | C4 | N4 | H24 | 180.0° | 0.1° |
| O4' | C1' | N1 | C2' | 116.3° | 115.4° |
| O4' | C1' | N1 | H16 | 121.7° | 122.2° |
| O4' | C1' | C2' | H16 | 119.3° | 118.8° |
| O4' | C1' | N1 | C6 | 55.2° | 126.4° |
| C1' | O4' | C4' | C3' | 3.9° | 40.4° |
| C1' | O4' | C4' | C5' | 128.1° | 159.3° |
| O4' | C1' | C2' | O2' | 154.7° | 142.7° |
| O4' | C1' | C2' | C3' | 38.2° | 23.9° |
| C1' | O4' | C4' | H15 | 112.6° | 78.4° |
| O4' | C1' | C2' | H17 | 79.2° | 94.7° |
| C4' | O4' | C1' | N1 | 147.3° | 159.3° |
| C4' | O4' | C1' | C2' | 26.8° | 40.4° |
| O4' | C4' | C3' | O3' | 97.8° | 142.6° |
| O4' | C4' | C3' | C5' | 121.6° | 118.9° |
| O4' | C4' | C3' | H15 | 117.3° | 118.9° |
| O4' | C4' | C5' | H15 | 119.8° | 122.3° |
| O4' | C4' | C3' | C2' | 20.3° | 23.9° |
| O4' | C4' | C5' | O5' | 59.1° | 69.6° |
| O4' | C4' | C5' | H13 | 60.4° | 50.4° |
| O4' | C4' | C5' | H14 | 178.7° | 170.4° |
| C4' | O4' | C1' | H16 | 91.5° | 78.5° |
| O4' | C4' | C3' | H19 | 138.0° | 94.7° |
| N1 | C1' | C2' | H16 | 122.4° | 122.3° |
| N1 | C1' | C2' | O2' | 86.9° | 98.4° |
| N1 | C1' | C2' | C3' | 156.6° | 142.8° |
| C1' | N1 | C6 | C5 | 176.0° | 180.0° |
| N1 | C1' | C2' | H17 | 39.1° | 24.2° |
| C1' | N1 | C6 | H21 | 4.0° | 0.0° |
| C2' | C1' | N1 | C6 | 61.1° | 118.1° |
| C1' | C2' | C3' | O3' | 83.7° | 118.7° |
| C1' | C2' | C3' | C4' | 34.7° | 0.0° |
| C1' | C2' | O2' | C3' | 110.7° | 114.7° |
| C1' | C2' | O2' | H17 | 125.2° | 122.6° |
| C1' | C2' | C3' | H17 | 117.4° | 118.6° |
| C1' | C2' | O2' | H18 | 180.0° | 180.0° |
| C1' | C2' | C3' | H19 | 152.3° | 118.6° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | H21 | 180.0° | 180.0° |
| C6 | N1 | C1' | H16 | 176.9° | 4.2° |
| N1 | C6 | C5 | H22 | 179.9° | 180.0° |
| O3' | C3' | C4' | C2' | 118.1° | 118.7° |
| O3' | C3' | C4' | H19 | 124.2° | 122.7° |
| O3' | C3' | C4' | C5' | 140.6° | 98.5° |
| O3' | C3' | C2' | O2' | 33.8° | 0.0° |
| O3' | C3' | C2' | H19 | 123.9° | 122.7° |
| O3' | C3' | C4' | H15 | 19.5° | 23.7° |
| O3' | C3' | C2' | H17 | 158.8° | 122.7° |
| N4 | C4 | C5 | C6 | 177.0° | 179.9° |
| N4 | C4 | C5 | H22 | 3.0° | 0.0° |
| C4 | N4 | H23 | H24 | 180.0° | 180.0° |
| C4 | C5 | C6 | H22 | 180.0° | 180.0° |
| C4 | C5 | C6 | H21 | 179.9° | 180.0° |
| C5 | C4 | N4 | H23 | 177.2° | 0.1° |
| C5 | C4 | N4 | H24 | 2.7° | 180.0° |
| C3' | C4' | C5' | H15 | 120.9° | 122.2° |
| C4' | C3' | C2' | O2' | 152.2° | 118.7° |
| C4' | C3' | C2' | H19 | 117.6° | 118.6° |
| C3' | C4' | C5' | O5' | 60.2° | 175.0° |
| C3' | C4' | C5' | H13 | 179.7° | 65.0° |
| C3' | C4' | C5' | H14 | 59.3° | 54.9° |
| C4' | C3' | C2' | H17 | 82.7° | 118.6° |
| C4' | C3' | O3' | H20 | 180.0° | 180.0° |
| C5' | C4' | C3' | C2' | 101.4° | 142.8° |
| C4' | C5' | O5' | H13 | 119.5° | 120.0° |
| C4' | C5' | O5' | H14 | 119.5° | 120.1° |
| C4' | C5' | O5' | SBI | 141.7° | 180.0° |
| C4' | C5' | H13 | H14 | 121.4° | 120.0° |
| C5' | C4' | C3' | H19 | 16.3° | 24.2° |
| O2' | C2' | C3' | H17 | 125.0° | 122.7° |
| O2' | C2' | C1' | H16 | 35.5° | 23.9° |
| O2' | C2' | C3' | H19 | 90.2° | 122.7° |
| C2' | C3' | C4' | H15 | 137.6° | 94.9° |
| C3' | C2' | C1' | H16 | 81.0° | 94.9° |
| C3' | C2' | O2' | H18 | 69.3° | 65.3° |
| C2' | C3' | O3' | H20 | 66.2° | 65.3° |
| C5' | O5' | SBI | OAE | 53.6° | 171.4° |
| C5' | O5' | SBI | NAT | 55.3° | 75.0° |
| C5' | O5' | SBI | OAD | 174.6° | 38.5° |
| O5' | C5' | H13 | H14 | 121.5° | 120.0° |
| O5' | C5' | C4' | H15 | 178.9° | 52.8° |
| O5' | SBI | OAE | NAT | 106.8° | 114.1° |
| O5' | SBI | OAE | OAD | 124.4° | 123.0° |
| O5' | SBI | NAT | OAD | 116.2° | 113.5° |
| O5' | SBI | NAT | C | 161.8° | 65.0° |
| O5' | SBI | NAT | H12 | 18.2° | 114.9° |
| SBI | O5' | C5' | H13 | 98.8° | 60.0° |
| SBI | O5' | C5' | H14 | 22.2° | 59.9° |
| CD2 | CE2 | CZ | H8 | 180.0° | 179.9° |
| CE2 | CD2 | CG | H7 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | OH | 178.8° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.8° | 0.0° |
| CE2 | CD2 | CG | CB | 178.0° | 180.0° |
| CE2 | CD2 | CG | CD1 | 0.4° | 0.3° |
| CZ | CE2 | CD2 | CG | 0.9° | 0.0° |
| CE2 | CZ | OH | CE1 | 179.6° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.2° | 0.2° |
| CZ | CE2 | CD2 | H7 | 179.1° | 180.0° |
| CE2 | CZ | OH | H9 | 180.0° | 90.0° |
| CE2 | CZ | CE1 | H10 | 179.8° | 180.0° |
| CD2 | CG | CB | CD1 | 178.4° | 179.7° |
| CD2 | CG | CB | CA | 62.8° | 89.7° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.5° |
| CD2 | CG | CB | H5 | 58.0° | 150.3° |
| CD2 | CG | CB | H6 | 176.4° | 30.3° |
| CG | CD2 | CE2 | H8 | 179.1° | 179.9° |
| CD2 | CG | CD1 | H11 | 179.9° | 179.7° |
| OAE | SBI | NAT | OAD | 133.6° | 132.9° |
| OAE | SBI | NAT | C | 87.9° | 48.5° |
| OAE | SBI | NAT | H12 | 92.1° | 131.5° |
| SBI | NAT | C | H12 | 180.0° | 180.0° |
| SBI | NAT | C | CA | 173.9° | 180.0° |
| SBI | NAT | C | O | 0.9° | 0.0° |
| OAD | SBI | NAT | C | 45.6° | 178.6° |
| OAD | SBI | NAT | H12 | 134.4° | 1.4° |
| NAT | C | CA | CB | 77.9° | 80.0° |
| NAT | C | CA | O | 174.2° | 180.0° |
| NAT | C | CA | N | 166.0° | 160.0° |
| NAT | C | CA | H4 | 42.7° | 40.0° |
| OH | CZ | CE1 | CD1 | 179.4° | 179.7° |
| OH | CZ | CE2 | H8 | 1.2° | 0.1° |
| OH | CZ | CE1 | H10 | 0.6° | 0.0° |
| CZ | CE1 | CD1 | CG | 0.3° | 0.5° |
| CZ | CE1 | CD1 | H10 | 180.0° | 179.8° |
| CE1 | CZ | CE2 | H8 | 179.2° | 180.0° |
| CE1 | CZ | OH | H9 | 0.3° | 90.0° |
| CZ | CE1 | CD1 | H11 | 179.8° | 179.7° |
| CG | CB | CA | H5 | 120.7° | 120.0° |
| CG | CB | CA | H6 | 120.8° | 120.1° |
| CG | CB | CA | C | 167.2° | 175.0° |
| CG | CB | CA | N | 56.0° | 65.0° |
| CB | CG | CD1 | CE1 | 178.6° | 179.8° |
| CG | CB | CA | H4 | 71.8° | 55.0° |
| CG | CB | H5 | H6 | 117.6° | 120.0° |
| CB | CG | CD2 | H7 | 2.0° | 0.0° |
| CB | CG | CD1 | H11 | 1.4° | 0.0° |
| CA | CB | CG | CD1 | 118.8° | 90.0° |
| CB | CA | C | N | 116.0° | 120.0° |
| CB | CA | C | H4 | 120.6° | 120.0° |
| CB | CA | N | H4 | 127.1° | 120.0° |
| CB | CA | C | O | 96.2° | 100.0° |
| CB | CA | N | H1 | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 63.9° |
| CA | CB | H5 | H6 | 117.7° | 120.0° |
| CG | CD1 | CE1 | H11 | 180.0° | 179.8° |
| CD1 | CG | CB | H5 | 120.5° | 30.0° |
| CD1 | CG | CB | H6 | 2.0° | 150.0° |
| CD1 | CG | CD2 | H7 | 179.6° | 179.7° |
| CG | CD1 | CE1 | H10 | 179.7° | 179.7° |
| C | CA | N | H4 | 123.0° | 120.0° |
| C | CA | N | H1 | 70.1° | 60.1° |
| C | CA | N | H2 | 49.9° | 176.1° |
| C | CA | CB | H5 | 72.1° | 65.0° |
| C | CA | CB | H6 | 46.4° | 55.0° |
| CA | C | NAT | H12 | 6.1° | 0.0° |
| N | CA | C | O | 19.8° | 20.0° |
| CA | N | H1 | H2 | 120.0° | 123.9° |
| N | CA | CB | H5 | 176.7° | 55.0° |
| N | CA | CB | H6 | 64.8° | 175.0° |
| O | C | CA | H4 | 143.1° | 140.0° |
| O | C | NAT | H12 | 179.1° | 180.0° |
| H1 | N | CA | H4 | 52.9° | 180.0° |
| H2 | N | CA | H4 | 172.9° | 56.1° |
| H4 | CA | CB | H5 | 49.0° | 175.0° |
| H4 | CA | CB | H6 | 167.5° | 65.0° |
| H7 | CD2 | CE2 | H8 | 0.9° | 0.1° |
| H10 | CE1 | CD1 | H11 | 0.2° | 0.0° |
| H13 | C5' | C4' | H15 | 59.4° | 172.7° |
| H14 | C5' | C4' | H15 | 61.5° | 67.3° |
| H15 | C4' | C3' | H19 | 104.7° | 146.5° |
| H16 | C1' | C2' | H17 | 161.6° | 146.5° |
| H17 | C2' | O2' | H18 | 54.8° | 57.4° |
| H17 | C2' | C3' | H19 | 34.9° | 0.0° |
| H19 | C3' | O3' | H20 | 56.8° | 57.3° |
| H21 | C6 | C5 | H22 | 0.1° | 0.0° |
