W5Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CE2 | CZ | doub | 1.38Å | 1.40Å | Aromatic |
CE2 | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
CZ | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
CD2 | CG | doub | 1.38Å | 1.40Å | Aromatic |
CE1 | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
CG | CD1 | sing | 1.38Å | 1.41Å | Aromatic |
CG | CB | sing | 1.51Å | 1.51Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | N | sing | 1.47Å | 1.44Å | |
CA | C | sing | 1.51Å | 1.50Å | |
NAT | C | sing | 1.35Å | 1.32Å | |
NAT | SBI | sing | 1.65Å | 1.60Å | |
C | O | doub | 1.21Å | 1.22Å | |
OAE | SBI | doub | 1.42Å | 1.43Å | |
SBI | OAD | doub | 1.42Å | 1.43Å | |
SBI | O5' | sing | 1.52Å | 1.56Å | |
O5' | C5' | sing | 1.43Å | 1.44Å | |
C5' | C4' | sing | 1.53Å | 1.53Å | |
O3' | C3' | sing | 1.43Å | 1.42Å | |
C3' | C4' | sing | 1.54Å | 1.52Å | |
C3' | C2' | sing | 1.55Å | 1.51Å | |
C4' | O4' | sing | 1.44Å | 1.44Å | |
O4' | C1' | sing | 1.44Å | 1.44Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C1' | sing | 1.55Å | 1.51Å | |
C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
N7 | C5 | sing | 1.35Å | 1.34Å | Aromatic |
C1' | N9 | sing | 1.46Å | 1.49Å | |
N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.47Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.47Å | Aromatic |
C4 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
N6 | C6 | sing | 1.38Å | 1.37Å | |
C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
N3 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
CD1 | H1 | sing | 1.08Å | 1.08Å | |
CE1 | H2 | sing | 1.08Å | 1.08Å | |
CZ | H3 | sing | 1.08Å | 1.08Å | |
CE2 | H4 | sing | 1.08Å | 1.08Å | |
CD2 | H5 | sing | 1.08Å | 1.08Å | |
CB | H6 | sing | 1.09Å | 1.10Å | |
CB | H7 | sing | 1.09Å | 1.10Å | |
CA | H8 | sing | 1.09Å | 1.10Å | |
N | H9 | sing | 1.01Å | 1.00Å | |
N | H10 | sing | 1.01Å | 1.00Å | |
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 | |
C3' | H16 | sing | 1.09Å | 1.10Å | |
O3' | H17 | sing | 0.97Å | 0.95Å | |
C2' | H18 | sing | 1.09Å | 1.10Å | |
O2' | H19 | sing | 0.97Å | 0.95Å | |
C1' | H20 | sing | 1.09Å | 1.10Å | |
C8 | H21 | sing | 1.08Å | 1.08Å | |
C2 | H22 | sing | 1.08Å | 1.08Å | |
N6 | H23 | sing | 0.97Å | 1.00Å | |
N6 | H24 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CZ | CE2 | CD2 | 119.3° | 120.0° |
CE2 | CZ | CE1 | 119.8° | 120.0° |
CE2 | CZ | H3 | 120.1° | 120.1° |
CZ | CE2 | H4 | 120.3° | 120.0° |
CE2 | CD2 | CG | 121.0° | 120.0° |
CD2 | CE2 | H4 | 120.3° | 120.0° |
CE2 | CD2 | H5 | 119.5° | 120.0° |
CZ | CE1 | CD1 | 121.0° | 120.0° |
CZ | CE1 | H2 | 119.5° | 120.0° |
CE1 | CZ | H3 | 120.1° | 120.0° |
CD2 | CG | CD1 | 119.7° | 120.0° |
CD2 | CG | CB | 120.8° | 120.0° |
CG | CD2 | H5 | 119.5° | 120.0° |
CE1 | CD1 | CG | 119.2° | 120.0° |
CE1 | CD1 | H1 | 120.4° | 120.0° |
CD1 | CE1 | H2 | 119.5° | 120.0° |
CD1 | CG | CB | 119.4° | 120.0° |
CG | CD1 | H1 | 120.4° | 120.0° |
CG | CB | CA | 113.4° | 109.5° |
CG | CB | H6 | 108.5° | 109.5° |
CG | CB | H7 | 108.5° | 109.5° |
CB | CA | N | 112.3° | 109.5° |
CB | CA | C | 111.2° | 109.5° |
CA | CB | H6 | 108.5° | 109.5° |
CA | CB | H7 | 108.5° | 109.4° |
CB | CA | H8 | 108.1° | 109.4° |
N | CA | C | 107.4° | 109.5° |
N | CA | H8 | 109.3° | 109.5° |
CA | N | H9 | 109.5° | 111.0° |
CA | N | H10 | 109.5° | 111.0° |
CA | C | NAT | 115.3° | 120.1° |
CA | C | O | 122.1° | 120.0° |
C | CA | H8 | 108.5° | 109.5° |
C | NAT | SBI | 120.6° | 120.0° |
NAT | C | O | 122.5° | 120.0° |
C | NAT | H12 | 119.7° | 119.9° |
NAT | SBI | OAE | 107.0° | 106.4° |
NAT | SBI | OAD | 112.1° | 106.4° |
NAT | SBI | O5' | 111.6° | 107.2° |
SBI | NAT | H12 | 119.7° | 120.0° |
OAE | SBI | OAD | 110.9° | 123.1° |
OAE | SBI | O5' | 107.8° | 106.4° |
OAD | SBI | O5' | 107.4° | 106.4° |
SBI | O5' | C5' | 119.0° | 114.0° |
O5' | C5' | C4' | 110.6° | 109.5° |
O5' | C5' | H13 | 109.2° | 109.5° |
O5' | C5' | H14 | 109.2° | 109.4° |
C5' | C4' | C3' | 111.4° | 109.9° |
C5' | C4' | O4' | 114.3° | 109.9° |
C4' | C5' | H13 | 109.2° | 109.5° |
C4' | C5' | H14 | 109.2° | 109.5° |
C5' | C4' | H15 | 108.4° | 109.9° |
O3' | C3' | C4' | 110.2° | 110.5° |
O3' | C3' | C2' | 112.1° | 110.5° |
O3' | C3' | H16 | 111.7° | 110.6° |
C3' | O3' | H17 | 109.5° | 114.0° |
C4' | C3' | C2' | 101.8° | 104.2° |
C3' | C4' | O4' | 104.3° | 107.3° |
C3' | C4' | H15 | 108.6° | 110.0° |
C4' | C3' | H16 | 110.2° | 110.5° |
C3' | C2' | O2' | 107.4° | 110.9° |
C3' | C2' | C1' | 104.4° | 102.1° |
C2' | C3' | H16 | 110.4° | 110.5° |
C3' | C2' | H18 | 112.4° | 110.9° |
C4' | O4' | C1' | 110.7° | 107.0° |
O4' | C4' | H15 | 109.7° | 109.9° |
O4' | C1' | C2' | 105.4° | 103.5° |
O4' | C1' | N9 | 110.0° | 110.7° |
O4' | C1' | H20 | 110.2° | 110.6° |
O2' | C2' | C1' | 105.9° | 110.9° |
O2' | C2' | H18 | 113.8° | 110.8° |
C2' | O2' | H19 | 109.5° | 113.9° |
C2' | C1' | N9 | 112.5° | 110.6° |
C1' | C2' | H18 | 112.4° | 110.9° |
C2' | C1' | H20 | 109.2° | 110.6° |
N7 | C8 | N9 | 111.4° | 109.9° |
C8 | N7 | C5 | 107.6° | 109.4° |
N7 | C8 | H21 | 124.3° | 125.1° |
C8 | N9 | C1' | 125.2° | 126.2° |
C8 | N9 | C4 | 108.1° | 107.5° |
N9 | C8 | H21 | 124.3° | 125.0° |
N7 | C5 | C4 | 106.5° | 107.1° |
N7 | C5 | C6 | 135.6° | 134.6° |
C1' | N9 | C4 | 126.7° | 126.3° |
N9 | C1' | H20 | 109.5° | 110.7° |
N9 | C4 | C5 | 106.5° | 106.0° |
N9 | C4 | N3 | 134.4° | 134.9° |
C4 | C5 | C6 | 117.9° | 118.2° |
C5 | C4 | N3 | 119.1° | 119.0° |
C5 | C6 | N6 | 121.9° | 120.8° |
C5 | C6 | N1 | 116.5° | 118.4° |
C4 | N3 | C2 | 120.5° | 120.6° |
N6 | C6 | N1 | 121.6° | 120.8° |
C6 | N6 | H23 | 109.5° | 120.0° |
C6 | N6 | H24 | 109.5° | 119.9° |
C6 | N1 | C2 | 122.4° | 121.2° |
N3 | C2 | N1 | 123.6° | 122.5° |
N3 | C2 | H22 | 118.2° | 118.7° |
N1 | C2 | H22 | 118.2° | 118.8° |
H6 | CB | H7 | 109.4° | 109.5° |
H9 | N | H10 | 109.4° | 111.0° |
H13 | C5' | H14 | 109.4° | 109.5° |
H23 | N6 | H24 | 109.5° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CZ | CE2 | CD2 | H4 | 180.0° | 179.9° |
CE2 | CZ | CE1 | H3 | 180.0° | 180.0° |
CZ | CE2 | CD2 | CG | 0.1° | 0.3° |
CE2 | CZ | CE1 | CD1 | 0.4° | 0.1° |
CE2 | CZ | CE1 | H2 | 179.6° | 180.0° |
CZ | CE2 | CD2 | H5 | 179.9° | 179.9° |
CD2 | CE2 | CZ | CE1 | 0.3° | 0.0° |
CE2 | CD2 | CG | H5 | 180.0° | 179.8° |
CE2 | CD2 | CG | CD1 | 0.4° | 0.6° |
CE2 | CD2 | CG | CB | 179.6° | 180.0° |
CD2 | CE2 | CZ | H3 | 179.7° | 179.9° |
CZ | CE1 | CD1 | H2 | 180.0° | 179.9° |
CZ | CE1 | CD1 | CG | 0.1° | 0.3° |
CZ | CE1 | CD1 | H1 | 179.8° | 179.9° |
CE1 | CZ | CE2 | H4 | 179.7° | 179.9° |
CD2 | CG | CD1 | CE1 | 0.3° | 0.6° |
CD2 | CG | CD1 | CB | 179.2° | 179.5° |
CD2 | CG | CB | CA | 83.5° | 90.0° |
CD2 | CG | CD1 | H1 | 179.7° | 179.7° |
CG | CD2 | CE2 | H4 | 179.9° | 179.8° |
CD2 | CG | CB | H6 | 37.1° | 150.0° |
CD2 | CG | CB | H7 | 155.9° | 30.0° |
CE1 | CD1 | CG | H1 | 180.0° | 179.7° |
CE1 | CD1 | CG | CB | 179.5° | 180.0° |
CD1 | CE1 | CZ | H3 | 179.6° | 179.9° |
CD1 | CG | CB | CA | 97.3° | 90.6° |
CG | CD1 | CE1 | H2 | 179.9° | 179.8° |
CD1 | CG | CD2 | H5 | 179.6° | 179.7° |
CD1 | CG | CB | H6 | 142.1° | 29.5° |
CD1 | CG | CB | H7 | 23.3° | 149.5° |
CG | CB | CA | H6 | 120.6° | 120.0° |
CG | CB | CA | H7 | 120.6° | 120.0° |
CG | CB | CA | N | 68.4° | 64.9° |
CG | CB | CA | C | 171.2° | 175.0° |
CB | CG | CD1 | H1 | 0.5° | 0.2° |
CB | CG | CD2 | H5 | 0.4° | 0.2° |
CG | CB | H6 | H7 | 118.2° | 120.0° |
CG | CB | CA | H8 | 52.2° | 55.0° |
CB | CA | N | C | 122.5° | 120.1° |
CB | CA | N | H8 | 120.0° | 119.9° |
CB | CA | C | H8 | 118.8° | 119.9° |
CB | CA | C | NAT | 72.9° | 80.0° |
CB | CA | C | O | 109.4° | 100.0° |
CA | CB | H6 | H7 | 118.2° | 119.9° |
CB | CA | N | H9 | 180.0° | 176.0° |
CB | CA | N | H10 | 60.0° | 60.0° |
N | CA | C | H8 | 118.0° | 120.0° |
N | CA | C | NAT | 163.9° | 160.0° |
N | CA | C | O | 13.8° | 20.0° |
N | CA | CB | H6 | 171.0° | 175.0° |
N | CA | CB | H7 | 52.2° | 55.0° |
CA | N | H9 | H10 | 120.0° | 123.9° |
CA | C | NAT | O | 177.8° | 180.0° |
CA | C | NAT | SBI | 170.9° | 180.0° |
C | CA | CB | H6 | 50.6° | 55.0° |
C | CA | CB | H7 | 68.1° | 65.0° |
C | CA | N | H9 | 57.5° | 63.9° |
C | CA | N | H10 | 62.5° | 60.0° |
CA | C | NAT | H12 | 9.1° | 0.0° |
C | NAT | SBI | H12 | 180.0° | 180.0° |
C | NAT | SBI | OAE | 167.7° | 48.5° |
C | NAT | SBI | OAD | 70.5° | 178.5° |
C | NAT | SBI | O5' | 49.9° | 65.0° |
NAT | C | CA | H8 | 45.9° | 40.0° |
SBI | NAT | C | O | 11.3° | 0.0° |
NAT | SBI | OAE | OAD | 122.5° | 123.0° |
NAT | SBI | OAE | O5' | 120.2° | 114.1° |
NAT | SBI | OAD | O5' | 122.8° | 114.1° |
NAT | SBI | O5' | C5' | 54.9° | 75.0° |
O | C | CA | H8 | 131.9° | 140.0° |
O | C | NAT | H12 | 168.7° | 180.0° |
OAE | SBI | OAD | O5' | 117.6° | 122.9° |
OAE | SBI | O5' | C5' | 62.4° | 171.4° |
OAE | SBI | NAT | H12 | 12.3° | 131.5° |
OAD | SBI | O5' | C5' | 178.0° | 38.6° |
OAD | SBI | NAT | H12 | 109.5° | 1.5° |
SBI | O5' | C5' | C4' | 140.8° | 180.0° |
O5' | SBI | NAT | H12 | 130.1° | 115.0° |
SBI | O5' | C5' | H13 | 20.6° | 60.0° |
SBI | O5' | C5' | H14 | 99.0° | 60.0° |
O5' | C5' | C4' | H13 | 120.2° | 120.0° |
O5' | C5' | C4' | H14 | 120.2° | 120.0° |
O5' | C5' | C4' | C3' | 66.4° | 175.7° |
O5' | C5' | C4' | O4' | 51.4° | 66.5° |
O5' | C5' | H13 | H14 | 119.5° | 120.0° |
O5' | C5' | C4' | H15 | 174.1° | 54.6° |
C5' | C4' | C3' | O3' | 82.2° | 119.9° |
C5' | C4' | C3' | O4' | 123.8° | 119.4° |
C5' | C4' | C3' | H15 | 119.4° | 121.1° |
C5' | C4' | C3' | C2' | 158.7° | 121.4° |
C5' | C4' | O4' | H15 | 122.0° | 121.1° |
C5' | C4' | O4' | C1' | 144.6° | 145.9° |
C4' | C5' | H13 | H14 | 119.4° | 120.0° |
C5' | C4' | C3' | H16 | 41.5° | 2.8° |
O3' | C3' | C4' | C2' | 119.2° | 118.7° |
O3' | C3' | C4' | H16 | 123.7° | 122.7° |
O3' | C3' | C2' | H16 | 125.2° | 122.7° |
O3' | C3' | C4' | O4' | 154.1° | 120.7° |
O3' | C3' | C2' | O2' | 40.2° | 20.4° |
O3' | C3' | C2' | C1' | 152.3° | 97.8° |
O3' | C3' | C4' | H15 | 37.2° | 1.2° |
O3' | C3' | C2' | H18 | 85.7° | 144.0° |
C4' | C3' | C2' | H16 | 117.1° | 118.7° |
C3' | C4' | O4' | H15 | 116.1° | 119.6° |
C3' | C4' | O4' | C1' | 22.7° | 26.5° |
C4' | C3' | C2' | O2' | 77.6° | 139.0° |
C4' | C3' | C2' | C1' | 34.5° | 20.9° |
C3' | C4' | C5' | H13 | 53.8° | 64.3° |
C3' | C4' | C5' | H14 | 173.4° | 55.8° |
C4' | C3' | O3' | H17 | 180.0° | 179.9° |
C4' | C3' | C2' | H18 | 156.5° | 97.3° |
C2' | C3' | C4' | O4' | 34.9° | 2.0° |
C3' | C2' | C1' | O4' | 21.7° | 37.0° |
C3' | C2' | O2' | C1' | 111.1° | 112.7° |
C3' | C2' | O2' | H18 | 125.1° | 123.7° |
C3' | C2' | C1' | H18 | 122.0° | 118.2° |
C3' | C2' | C1' | N9 | 98.1° | 155.6° |
C2' | C3' | C4' | H15 | 81.9° | 117.5° |
C2' | C3' | O3' | H17 | 67.3° | 65.3° |
C3' | C2' | O2' | H19 | 180.0° | 61.5° |
C3' | C2' | C1' | H20 | 140.1° | 81.5° |
C4' | O4' | C1' | C2' | 0.6° | 40.1° |
C4' | O4' | C1' | N9 | 122.1° | 158.6° |
O4' | C4' | C5' | H13 | 171.6° | 53.5° |
O4' | C4' | C5' | H14 | 68.8° | 173.5° |
O4' | C4' | C3' | H16 | 82.2° | 116.6° |
C4' | O4' | C1' | H20 | 117.0° | 78.4° |
O4' | C1' | C2' | O2' | 91.5° | 155.2° |
O4' | C1' | C2' | N9 | 119.9° | 118.6° |
O4' | C1' | C2' | H20 | 118.4° | 118.5° |
O4' | C1' | N9 | C8 | 42.4° | 23.9° |
O4' | C1' | N9 | H20 | 121.2° | 123.0° |
O4' | C1' | N9 | C4 | 136.0° | 156.4° |
C1' | O4' | C4' | H15 | 93.4° | 93.0° |
O4' | C1' | C2' | H18 | 143.8° | 81.2° |
O2' | C2' | C1' | H18 | 124.7° | 123.6° |
O2' | C2' | C1' | N9 | 148.6° | 86.3° |
O2' | C2' | C3' | H16 | 165.4° | 102.3° |
O2' | C2' | C1' | H20 | 26.9° | 36.7° |
C2' | C1' | N9 | C8 | 74.8° | 90.2° |
C2' | C1' | N9 | H20 | 121.6° | 122.9° |
C2' | C1' | N9 | C4 | 106.8° | 89.5° |
C1' | C2' | C3' | H16 | 82.5° | 139.5° |
C1' | C2' | O2' | H19 | 68.9° | 174.1° |
N7 | C8 | N9 | H21 | 180.0° | 180.0° |
N7 | C8 | N9 | C1' | 178.7° | 180.0° |
N7 | C8 | N9 | C4 | 0.0° | 0.2° |
C8 | N7 | C5 | C4 | 0.4° | 0.3° |
C8 | N7 | C5 | C6 | 179.9° | 180.0° |
N9 | C8 | N7 | C5 | 0.3° | 0.0° |
C8 | N9 | C1' | C4 | 178.5° | 179.7° |
C8 | N9 | C4 | C5 | 0.2° | 0.4° |
C8 | N9 | C4 | N3 | 179.9° | 179.7° |
C8 | N9 | C1' | H20 | 163.7° | 146.8° |
N7 | C5 | C4 | N9 | 0.3° | 0.4° |
N7 | C5 | C4 | C6 | 179.8° | 179.8° |
N7 | C5 | C4 | N3 | 179.7° | 179.7° |
N7 | C5 | C6 | N6 | 0.5° | 0.1° |
N7 | C5 | C6 | N1 | 179.2° | 179.3° |
C5 | N7 | C8 | H21 | 179.8° | 179.9° |
C1' | N9 | C4 | C5 | 178.9° | 179.9° |
C1' | N9 | C4 | N3 | 1.2° | 0.0° |
N9 | C1' | C2' | H18 | 23.9° | 37.4° |
C1' | N9 | C8 | H21 | 1.3° | 0.1° |
N9 | C4 | C5 | N3 | 180.0° | 179.9° |
N9 | C4 | C5 | C6 | 179.9° | 179.8° |
N9 | C4 | N3 | C2 | 180.0° | 179.9° |
C4 | N9 | C1' | H20 | 14.8° | 33.5° |
C4 | N9 | C8 | H21 | 180.0° | 179.8° |
C4 | C5 | C6 | N6 | 179.2° | 179.8° |
C4 | C5 | C6 | N1 | 0.5° | 0.4° |
C5 | C4 | N3 | C2 | 0.0° | 0.2° |
C6 | C5 | C4 | N3 | 0.1° | 0.1° |
C5 | C6 | N6 | N1 | 178.7° | 179.3° |
C5 | C6 | N1 | C2 | 0.9° | 0.6° |
C5 | C6 | N6 | H23 | 178.6° | 0.0° |
C5 | C6 | N6 | H24 | 58.6° | 180.0° |
C4 | N3 | C2 | N1 | 0.4° | 0.0° |
C4 | N3 | C2 | H22 | 179.6° | 180.0° |
N6 | C6 | N1 | C2 | 179.6° | 179.9° |
C6 | N6 | H23 | H24 | 120.0° | 180.0° |
C6 | N1 | C2 | N3 | 0.9° | 0.3° |
C6 | N1 | C2 | H22 | 179.1° | 179.6° |
N1 | C6 | N6 | H23 | 0.0° | 179.3° |
N1 | C6 | N6 | H24 | 120.0° | 0.7° |
N3 | C2 | N1 | H22 | 180.0° | 180.0° |
H1 | CD1 | CE1 | H2 | 0.1° | 0.0° |
H2 | CE1 | CZ | H3 | 0.4° | 0.0° |
H3 | CZ | CE2 | H4 | 0.3° | 0.0° |
H4 | CE2 | CD2 | H5 | 0.1° | 0.0° |
H6 | CB | CA | H8 | 68.4° | 65.0° |
H7 | CB | CA | H8 | 172.8° | 175.0° |
H8 | CA | N | H9 | 60.0° | 56.1° |
H8 | CA | N | H10 | 180.0° | 180.0° |
H13 | C5' | C4' | H15 | 65.7° | 174.6° |
H14 | C5' | C4' | H15 | 53.9° | 65.4° |
H15 | C4' | C3' | H16 | 160.9° | 123.9° |
H16 | C3' | O3' | H17 | 57.1° | 57.3° |
H16 | C3' | C2' | H18 | 39.5° | 21.3° |
H18 | C2' | O2' | H19 | 54.9° | 62.2° |
H18 | C2' | C1' | H20 | 97.8° | 160.3° |