ME8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.32Å | 1.39Å | Aromatic |
O1 | P1 | sing | 1.61Å | 1.64Å | |
O1 | C9 | sing | 1.34Å | 1.36Å | |
P1 | O5' | sing | 1.61Å | 1.63Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
N2 | CA | sing | 1.47Å | 1.49Å | |
N2 | HN2 | sing | 1.01Å | 1.00Å | |
N2 | HN2A | sing | 1.01Å | 1.00Å | |
N3 | C2 | doub | 1.32Å | 1.39Å | Aromatic |
C4 | N3 | sing | 1.33Å | 1.44Å | Aromatic |
C5 | C4 | doub | 1.41Å | 1.46Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
C6 | N1 | doub | 1.33Å | 1.39Å | Aromatic |
N6 | C6 | sing | 1.38Å | 1.31Å | |
N6 | HN6 | sing | 0.97Å | 1.00Å | |
N6 | HN6A | sing | 0.97Å | 1.00Å | |
N7 | C5 | sing | 1.35Å | 1.33Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
C9 | O | doub | 1.21Å | 1.23Å | |
N9 | C4 | sing | 1.37Å | 1.43Å | Aromatic |
N9 | C1' | sing | 1.46Å | 1.47Å | |
CA | C9 | sing | 1.51Å | 1.52Å | |
CA | CB | sing | 1.53Å | 1.52Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB | sing | 1.09Å | 1.10Å | |
CB | HBA | sing | 1.09Å | 1.10Å | |
CE | SD | sing | 1.81Å | 1.78Å | |
CE | HE | sing | 1.09Å | 1.10Å | |
CE | HEA | sing | 1.09Å | 1.10Å | |
CE | HEB | sing | 1.09Å | 1.10Å | |
CG | CB | sing | 1.53Å | 1.52Å | |
CG | SD | sing | 1.81Å | 1.83Å | |
CG | HG | sing | 1.09Å | 1.10Å | |
CG | HGA | sing | 1.09Å | 1.10Å | |
C1' | C2' | sing | 1.55Å | 1.52Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
O1S | P1 | doub | 1.48Å | 1.46Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
O2S | P1 | sing | 1.61Å | 1.49Å | |
O2S | HO2S | sing | 0.97Å | 0.95Å | |
C3' | C2' | sing | 1.55Å | 1.53Å | |
C3' | O3' | sing | 1.43Å | 1.40Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C4' | C3' | sing | 1.54Å | 1.54Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.45Å | |
C5' | C4' | sing | 1.53Å | 1.55Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'A | sing | 1.09Å | 1.10Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
C8 | H8 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1 | C2 | H2 | 120.3° | 118.8° |
N1 | C2 | N3 | 119.4° | 122.5° |
C2 | N1 | C6 | 123.4° | 121.2° |
P1 | O1 | C9 | 121.3° | 117.0° |
O1 | P1 | O5' | 102.3° | 109.4° |
O1 | P1 | O1S | 102.5° | 109.5° |
O1 | P1 | O2S | 114.0° | 109.5° |
O1 | C9 | O | 126.5° | 120.0° |
O1 | C9 | CA | 111.1° | 120.0° |
O5' | P1 | O1S | 108.5° | 109.5° |
O5' | P1 | O2S | 108.9° | 109.5° |
P1 | O5' | C5' | 118.5° | 123.0° |
H2 | C2 | N3 | 120.3° | 118.8° |
CA | N2 | HN2 | 109.5° | 111.0° |
CA | N2 | HN2A | 109.5° | 111.0° |
N2 | CA | C9 | 106.7° | 109.5° |
N2 | CA | CB | 110.7° | 109.5° |
N2 | CA | HA | 109.7° | 109.5° |
HN2 | N2 | HN2A | 109.5° | 111.0° |
C2 | N3 | C4 | 116.5° | 120.7° |
N3 | C4 | C5 | 118.9° | 119.1° |
N3 | C4 | N9 | 124.2° | 134.9° |
C4 | C5 | C6 | 116.3° | 118.2° |
C4 | C5 | N7 | 103.6° | 107.1° |
C5 | C4 | N9 | 106.0° | 106.0° |
C5 | C6 | N1 | 119.4° | 118.4° |
C5 | C6 | N6 | 122.2° | 120.8° |
C6 | C5 | N7 | 138.1° | 134.7° |
N1 | C6 | N6 | 118.3° | 120.8° |
C6 | N6 | HN6 | 109.5° | 120.0° |
C6 | N6 | HN6A | 109.5° | 120.0° |
HN6 | N6 | HN6A | 109.5° | 120.0° |
C5 | N7 | C8 | 110.7° | 109.5° |
N7 | C8 | N9 | 111.3° | 110.0° |
N7 | C8 | H8 | 124.4° | 125.0° |
C8 | N9 | C4 | 103.8° | 107.4° |
C8 | N9 | C1' | 130.2° | 126.3° |
N9 | C8 | H8 | 124.3° | 125.1° |
O | C9 | CA | 122.2° | 120.0° |
C4 | N9 | C1' | 122.0° | 126.2° |
N9 | C1' | C2' | 109.1° | 110.6° |
N9 | C1' | H1' | 110.2° | 110.6° |
N9 | C1' | O4' | 106.9° | 110.6° |
C9 | CA | CB | 107.2° | 109.5° |
C9 | CA | HA | 113.2° | 109.4° |
CB | CA | HA | 109.3° | 109.5° |
CA | CB | HB | 108.1° | 109.5° |
CA | CB | HBA | 108.1° | 109.5° |
CA | CB | CG | 113.7° | 109.5° |
HB | CB | HBA | 110.8° | 109.5° |
HB | CB | CG | 108.1° | 109.4° |
HBA | CB | CG | 108.1° | 109.4° |
SD | CE | HE | 109.5° | 109.5° |
SD | CE | HEA | 109.4° | 109.4° |
SD | CE | HEB | 109.5° | 109.5° |
CE | SD | CG | 102.1° | 103.0° |
HE | CE | HEA | 109.5° | 109.5° |
HE | CE | HEB | 109.4° | 109.4° |
HEA | CE | HEB | 109.5° | 109.5° |
CB | CG | SD | 110.1° | 109.5° |
CB | CG | HG | 109.2° | 109.4° |
CB | CG | HGA | 109.3° | 109.4° |
SD | CG | HG | 109.3° | 109.5° |
SD | CG | HGA | 109.3° | 109.5° |
HG | CG | HGA | 109.7° | 109.5° |
C2' | C1' | H1' | 111.2° | 110.7° |
C1' | C2' | O2' | 106.9° | 110.9° |
C1' | C2' | H2' | 117.9° | 110.9° |
C1' | C2' | C3' | 99.1° | 102.1° |
C2' | C1' | O4' | 105.9° | 103.5° |
H1' | C1' | O4' | 113.3° | 110.7° |
O1S | P1 | O2S | 119.2° | 109.5° |
O2' | C2' | H2' | 107.2° | 110.8° |
C2' | O2' | HO2' | 109.5° | 114.0° |
O2' | C2' | C3' | 111.2° | 110.9° |
H2' | C2' | C3' | 114.1° | 110.9° |
P1 | O2S | HO2S | 109.5° | 114.0° |
C2' | C3' | O3' | 110.8° | 110.5° |
C2' | C3' | H3' | 114.0° | 110.5° |
C2' | C3' | C4' | 100.3° | 104.2° |
O3' | C3' | H3' | 107.0° | 110.4° |
C3' | O3' | HO3' | 109.5° | 114.0° |
O3' | C3' | C4' | 108.0° | 110.5° |
H3' | C3' | C4' | 116.6° | 110.6° |
C3' | C4' | O4' | 104.4° | 107.3° |
C3' | C4' | H4' | 110.5° | 109.9° |
C3' | C4' | C5' | 113.1° | 109.8° |
O4' | C4' | H4' | 114.1° | 109.9° |
C4' | O4' | C1' | 108.4° | 107.0° |
O4' | C4' | C5' | 109.5° | 109.9° |
H4' | C4' | C5' | 105.5° | 110.0° |
C4' | C5' | H5' | 109.2° | 109.5° |
C4' | C5' | H5'A | 109.2° | 109.5° |
C4' | C5' | O5' | 110.3° | 109.4° |
H5' | C5' | H5'A | 109.7° | 109.5° |
H5' | C5' | O5' | 109.2° | 109.5° |
H5'A | C5' | O5' | 109.2° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C2 | H2 | N3 | 180.0° | 179.9° |
N1 | C2 | N3 | C4 | 15.6° | 0.1° |
C2 | N1 | C6 | C5 | 2.7° | 0.1° |
C2 | N1 | C6 | N6 | 179.2° | 180.0° |
O1 | P1 | O5' | O1S | 107.9° | 120.0° |
O1 | P1 | O5' | O2S | 121.0° | 120.0° |
P1 | O1 | C9 | O | 14.5° | 0.0° |
P1 | O1 | C9 | CA | 170.5° | 180.0° |
O1 | P1 | O1S | O2S | 126.9° | 120.0° |
O1 | P1 | O2S | HO2S | 121.3° | 60.0° |
O1 | P1 | O5' | C5' | 88.6° | 175.0° |
C9 | O1 | P1 | O5' | 86.2° | 175.0° |
O1 | C9 | CA | N2 | 18.3° | 160.0° |
O1 | C9 | O | CA | 174.5° | 179.9° |
O1 | C9 | CA | CB | 100.3° | 80.0° |
O1 | C9 | CA | HA | 139.1° | 40.0° |
C9 | O1 | P1 | O1S | 161.3° | 55.0° |
C9 | O1 | P1 | O2S | 31.1° | 65.0° |
O5' | P1 | O1S | O2S | 125.3° | 120.0° |
O5' | P1 | O2S | HO2S | 125.2° | 60.0° |
P1 | O5' | C5' | C4' | 166.2° | 180.0° |
P1 | O5' | C5' | H5' | 46.2° | 60.0° |
P1 | O5' | C5' | H5'A | 73.8° | 60.1° |
H2 | C2 | N3 | C4 | 164.5° | 180.0° |
H2 | C2 | N1 | C6 | 177.0° | 180.0° |
CA | N2 | HN2 | HN2A | 120.0° | 124.0° |
N2 | CA | C9 | O | 166.4° | 20.0° |
N2 | CA | C9 | CB | 118.7° | 120.0° |
N2 | CA | C9 | HA | 120.8° | 120.0° |
N2 | CA | CB | HA | 121.0° | 120.0° |
N2 | CA | CB | HB | 54.5° | 55.0° |
N2 | CA | CB | HBA | 174.5° | 175.0° |
N2 | CA | CB | CG | 65.5° | 65.0° |
HN2 | N2 | CA | C9 | 180.0° | 60.0° |
HN2 | N2 | CA | CB | 63.7° | 60.0° |
HN2 | N2 | CA | HA | 57.0° | 179.9° |
HN2A | N2 | CA | C9 | 60.0° | 176.0° |
HN2A | N2 | CA | CB | 176.3° | 64.0° |
HN2A | N2 | CA | HA | 63.0° | 56.1° |
C2 | N3 | C4 | C5 | 28.2° | 0.1° |
N3 | C2 | N1 | C6 | 3.0° | 0.1° |
C2 | N3 | C4 | N9 | 167.0° | 179.9° |
N3 | C4 | C5 | N9 | 145.5° | 179.9° |
N3 | C4 | C5 | C6 | 27.8° | 0.1° |
N3 | C4 | C5 | N7 | 165.5° | 180.0° |
N3 | C4 | N9 | C8 | 164.2° | 179.9° |
N3 | C4 | N9 | C1' | 36.2° | 0.0° |
C4 | C5 | C6 | N7 | 160.5° | 180.0° |
C4 | C5 | C6 | N1 | 14.8° | 0.1° |
C4 | C5 | C6 | N6 | 168.9° | 180.0° |
C4 | C5 | N7 | C8 | 11.4° | 0.1° |
C5 | C4 | N9 | C8 | 21.0° | 0.0° |
C5 | C4 | N9 | C1' | 179.4° | 179.9° |
C5 | C6 | N1 | N6 | 176.5° | 179.9° |
C5 | C6 | N6 | HN6 | 176.4° | 0.0° |
C5 | C6 | N6 | HN6A | 63.6° | 180.0° |
C6 | C5 | N7 | C8 | 173.5° | 179.9° |
C6 | C5 | C4 | N9 | 173.3° | 180.0° |
N1 | C6 | N6 | HN6 | 0.0° | 179.9° |
N1 | C6 | N6 | HN6A | 120.0° | 0.1° |
N1 | C6 | C5 | N7 | 175.2° | 180.0° |
C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
N6 | C6 | C5 | N7 | 8.4° | 0.0° |
C5 | N7 | C8 | N9 | 2.0° | 0.1° |
N7 | C5 | C4 | N9 | 20.0° | 0.1° |
C5 | N7 | C8 | H8 | 178.1° | 180.0° |
N7 | C8 | N9 | H8 | 180.0° | 179.9° |
N7 | C8 | N9 | C4 | 14.7° | 0.1° |
N7 | C8 | N9 | C1' | 171.9° | 180.0° |
C8 | N9 | C4 | C1' | 159.6° | 179.9° |
C8 | N9 | C1' | C2' | 124.3° | 95.1° |
C8 | N9 | C1' | H1' | 113.3° | 142.0° |
C8 | N9 | C1' | O4' | 10.2° | 19.0° |
O | C9 | CA | CB | 74.9° | 100.0° |
O | C9 | CA | HA | 45.6° | 140.0° |
C4 | N9 | C1' | C2' | 82.1° | 85.0° |
C4 | N9 | C1' | H1' | 40.3° | 37.9° |
C4 | N9 | C1' | O4' | 163.8° | 160.9° |
C4 | N9 | C8 | H8 | 165.3° | 179.9° |
N9 | C1' | C2' | H1' | 121.8° | 122.9° |
N9 | C1' | C2' | O4' | 114.8° | 118.4° |
N9 | C1' | H1' | O4' | 119.8° | 122.9° |
N9 | C1' | C2' | O2' | 168.0° | 86.3° |
N9 | C1' | C2' | H2' | 47.3° | 37.3° |
N9 | C1' | C2' | C3' | 76.4° | 155.5° |
N9 | C1' | O4' | C4' | 100.9° | 158.6° |
C1' | N9 | C8 | H8 | 8.2° | 0.1° |
C9 | CA | CB | HA | 123.0° | 119.9° |
C9 | CA | CB | HB | 61.5° | 65.0° |
C9 | CA | CB | HBA | 58.5° | 55.0° |
C9 | CA | CB | CG | 178.5° | 175.0° |
CA | CB | HB | HBA | 118.2° | 120.1° |
CA | CB | HB | CG | 123.5° | 120.0° |
CA | CB | HBA | CG | 123.5° | 120.0° |
CA | CB | CG | SD | 176.0° | 180.0° |
CA | CB | CG | HG | 64.0° | 60.0° |
CA | CB | CG | HGA | 56.0° | 60.0° |
HA | CA | CB | HB | 175.5° | 175.0° |
HA | CA | CB | HBA | 64.5° | 64.9° |
HA | CA | CB | CG | 55.5° | 55.0° |
HB | CB | HBA | CG | 118.3° | 120.0° |
HB | CB | CG | SD | 56.0° | 60.0° |
HB | CB | CG | HG | 176.0° | 180.0° |
HB | CB | CG | HGA | 64.0° | 60.0° |
HBA | CB | CG | SD | 64.0° | 60.0° |
HBA | CB | CG | HG | 56.0° | 60.0° |
HBA | CB | CG | HGA | 176.0° | 180.0° |
SD | CE | HE | HEA | 120.0° | 120.0° |
SD | CE | HE | HEB | 120.0° | 120.1° |
SD | CE | HEA | HEB | 120.0° | 120.1° |
CE | SD | CG | CB | 178.1° | 180.0° |
CE | SD | CG | HG | 58.1° | 60.0° |
CE | SD | CG | HGA | 61.9° | 60.0° |
HE | CE | HEA | HEB | 120.0° | 119.9° |
HE | CE | SD | CG | 180.0° | 60.0° |
HEA | CE | SD | CG | 60.0° | 60.0° |
HEB | CE | SD | CG | 60.0° | 180.0° |
CB | CG | SD | HG | 120.0° | 120.0° |
CB | CG | SD | HGA | 120.0° | 120.0° |
CB | CG | HG | HGA | 119.8° | 120.0° |
SD | CG | HG | HGA | 119.7° | 120.0° |
C2' | C1' | H1' | O4' | 119.1° | 114.2° |
C1' | C2' | O2' | H2' | 127.4° | 123.7° |
C1' | C2' | O2' | C3' | 107.2° | 112.7° |
C1' | C2' | H2' | C3' | 115.8° | 112.7° |
C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
C1' | C2' | C3' | O3' | 159.3° | 97.8° |
C1' | C2' | C3' | H3' | 79.9° | 139.7° |
C1' | C2' | C3' | C4' | 45.4° | 20.9° |
C2' | C1' | O4' | C4' | 15.3° | 40.1° |
H1' | C1' | C2' | O2' | 46.2° | 36.6° |
H1' | C1' | C2' | H2' | 74.5° | 160.2° |
H1' | C1' | C2' | C3' | 161.8° | 81.6° |
H1' | C1' | O4' | C4' | 137.5° | 78.5° |
O1S | P1 | O2S | HO2S | 0.0° | 180.0° |
O1S | P1 | O5' | C5' | 163.5° | 55.0° |
O2' | C2' | H2' | C3' | 123.6° | 123.7° |
O2' | C2' | C3' | O3' | 47.0° | 20.4° |
O2' | C2' | C3' | H3' | 167.8° | 102.1° |
O2' | C2' | C3' | C4' | 66.9° | 139.1° |
O2' | C2' | C1' | O4' | 77.2° | 155.2° |
H2' | C2' | O2' | HO2' | 52.6° | 56.4° |
H2' | C2' | C3' | O3' | 74.4° | 144.0° |
H2' | C2' | C3' | H3' | 46.4° | 21.5° |
H2' | C2' | C3' | C4' | 171.7° | 97.3° |
H2' | C2' | C1' | O4' | 162.0° | 81.2° |
HO2' | O2' | C2' | C3' | 72.8° | 67.3° |
O2S | P1 | O5' | C5' | 32.4° | 65.0° |
C2' | C3' | O3' | H3' | 124.8° | 122.5° |
C2' | C3' | O3' | C4' | 108.9° | 114.8° |
C2' | C3' | H3' | C4' | 116.1° | 114.8° |
C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
C2' | C3' | C4' | O4' | 37.9° | 2.0° |
C2' | C3' | C4' | H4' | 85.2° | 117.4° |
C3' | C2' | C1' | O4' | 38.4° | 37.1° |
C2' | C3' | C4' | C5' | 156.8° | 121.5° |
O3' | C3' | H3' | C4' | 121.0° | 122.6° |
O3' | C3' | C4' | O4' | 153.9° | 120.7° |
O3' | C3' | C4' | H4' | 30.9° | 1.3° |
O3' | C3' | C4' | C5' | 87.2° | 119.8° |
H3' | C3' | O3' | HO3' | 55.2° | 61.2° |
H3' | C3' | C4' | O4' | 85.7° | 116.7° |
H3' | C3' | C4' | H4' | 151.3° | 123.9° |
H3' | C3' | C4' | C5' | 33.3° | 2.7° |
HO3' | O3' | C3' | C4' | 71.1° | 176.2° |
C3' | C4' | O4' | H4' | 120.7° | 119.4° |
C3' | C4' | O4' | C5' | 121.3° | 119.4° |
C3' | C4' | H4' | C5' | 122.6° | 121.0° |
C3' | C4' | O4' | C1' | 14.3° | 26.5° |
C3' | C4' | C5' | H5' | 72.0° | 55.0° |
C3' | C4' | C5' | H5'A | 47.9° | 65.1° |
C3' | C4' | C5' | O5' | 167.9° | 175.0° |
O4' | C4' | H4' | C5' | 120.2° | 121.1° |
O4' | C4' | C5' | H5' | 172.0° | 172.8° |
O4' | C4' | C5' | H5'A | 68.0° | 52.8° |
O4' | C4' | C5' | O5' | 52.0° | 67.2° |
H4' | C4' | O4' | C1' | 106.4° | 92.9° |
H4' | C4' | C5' | H5' | 48.9° | 66.0° |
H4' | C4' | C5' | H5'A | 168.9° | 173.9° |
H4' | C4' | C5' | O5' | 71.1° | 54.0° |
C1' | O4' | C4' | C5' | 135.7° | 145.9° |
C4' | C5' | H5' | H5'A | 119.7° | 120.0° |
C4' | C5' | H5' | O5' | 120.7° | 120.0° |
C4' | C5' | H5'A | O5' | 120.7° | 119.9° |
H5' | C5' | H5'A | O5' | 119.7° | 120.0° |