EDA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | OP1 | doub | 1.48Å | 1.48Å | |
P | OP2 | sing | 1.61Å | 1.48Å | |
P | OP3 | sing | 1.61Å | 1.60Å | |
P | O5' | sing | 1.61Å | 1.59Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
N9 | C4 | sing | 1.24Å | 1.38Å | Aromatic |
N9 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
N9 | C1' | sing | 1.47Å | 1.46Å | |
C4 | N3 | sing | 1.34Å | 1.35Å | Aromatic |
C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
N3 | C2 | doub | 1.30Å | 1.33Å | Aromatic |
C2 | N1 | sing | 1.39Å | 1.37Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N1 | C6 | sing | 1.41Å | 1.37Å | Aromatic |
N1 | C10 | sing | 1.22Å | 1.41Å | Aromatic |
C6 | N6 | doub | 1.30Å | 1.33Å | Aromatic |
C6 | C5 | sing | 1.46Å | 1.41Å | Aromatic |
C10 | C11 | doub | 1.34Å | 1.36Å | Aromatic |
C10 | H10 | sing | 1.08Å | 1.10Å | |
C11 | N6 | sing | 1.36Å | 1.40Å | Aromatic |
C11 | H11 | sing | 1.08Å | 1.10Å | |
C5 | N7 | sing | 1.36Å | 1.40Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C2' | C1' | sing | 1.54Å | 1.52Å | |
C2' | C3' | sing | 1.54Å | 1.52Å | |
C2' | H2' | sing | 1.09Å | 1.11Å | |
C2' | H2'' | sing | 1.09Å | 1.11Å | |
C5' | C4' | sing | 1.53Å | 1.51Å | |
C5' | H5' | sing | 1.09Å | 1.12Å | |
C5' | H5'' | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.45Å | 1.44Å | |
C4' | C3' | sing | 1.54Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP1 | P | OP2 | 119.5° | 109.4° |
OP1 | P | OP3 | 109.7° | 109.5° |
OP1 | P | O5' | 109.0° | 109.5° |
OP2 | P | OP3 | 105.8° | 109.5° |
OP2 | P | O5' | 108.1° | 109.5° |
P | OP2 | HOP2 | 119.4° | 106.8° |
OP3 | P | O5' | 103.6° | 109.5° |
P | OP3 | HOP3 | 109.8° | 106.9° |
P | O5' | C5' | 121.7° | 106.8° |
O5' | C5' | C4' | 109.7° | 109.5° |
O5' | C5' | H5' | 112.2° | 109.5° |
O5' | C5' | H5'' | 112.1° | 109.5° |
C4 | N9 | C8 | 104.7° | 109.7° |
C4 | N9 | C1' | 128.0° | 109.5° |
N9 | C4 | N3 | 126.9° | 132.1° |
N9 | C4 | C5 | 106.2° | 107.7° |
C8 | N9 | C1' | 127.3° | 109.4° |
N9 | C8 | N7 | 115.1° | 108.2° |
N9 | C8 | H8 | 124.7° | 126.0° |
N9 | C1' | C2' | 113.7° | 110.4° |
N9 | C1' | O4' | 107.0° | 110.4° |
N9 | C1' | H1' | 107.6° | 110.3° |
N3 | C4 | C5 | 126.9° | 120.2° |
C4 | N3 | C2 | 112.2° | 123.1° |
C4 | C5 | C6 | 117.8° | 116.9° |
C4 | C5 | N7 | 111.5° | 107.7° |
N3 | C2 | N1 | 126.5° | 119.7° |
N3 | C2 | H2 | 115.4° | 120.1° |
N1 | C2 | H2 | 118.1° | 120.2° |
C2 | N1 | C6 | 120.7° | 117.7° |
C2 | N1 | C10 | 137.0° | 114.9° |
C6 | N1 | C10 | 102.3° | 109.1° |
N1 | C6 | N6 | 117.7° | 105.8° |
N1 | C6 | C5 | 115.9° | 115.0° |
N1 | C10 | C11 | 106.6° | 108.6° |
N1 | C10 | H10 | 128.0° | 125.7° |
N6 | C6 | C5 | 126.4° | 139.1° |
C6 | N6 | C11 | 100.1° | 106.1° |
C6 | C5 | N7 | 130.7° | 135.4° |
C11 | C10 | H10 | 125.3° | 125.7° |
C10 | C11 | N6 | 113.3° | 108.2° |
C10 | C11 | H11 | 122.2° | 125.9° |
N6 | C11 | H11 | 124.5° | 125.9° |
C5 | N7 | C8 | 102.6° | 106.7° |
N7 | C8 | H8 | 120.2° | 125.9° |
C1' | C2' | C3' | 103.8° | 104.0° |
C1' | C2' | H2' | 114.3° | 110.5° |
C1' | C2' | H2'' | 114.4° | 110.5° |
C2' | C1' | O4' | 107.0° | 104.8° |
C2' | C1' | H1' | 107.6° | 110.3° |
C3' | C2' | H2' | 114.3° | 110.5° |
C3' | C2' | H2'' | 114.3° | 110.5° |
C2' | C3' | C4' | 102.9° | 104.2° |
C2' | C3' | O3' | 110.2° | 110.5° |
C2' | C3' | H3' | 113.7° | 110.5° |
H2' | C2' | H2'' | 96.2° | 110.6° |
C4' | C5' | H5' | 112.1° | 109.5° |
C4' | C5' | H5'' | 112.1° | 109.4° |
C5' | C4' | O4' | 107.5° | 110.4° |
C5' | C4' | C3' | 113.6° | 110.7° |
C5' | C4' | H4' | 106.8° | 110.3° |
H5' | C5' | H5'' | 98.3° | 109.4° |
O4' | C4' | C3' | 105.5° | 104.7° |
O4' | C4' | H4' | 114.7° | 110.4° |
C4' | O4' | C1' | 110.7° | 105.3° |
C3' | C4' | H4' | 108.8° | 110.2° |
C4' | C3' | O3' | 110.9° | 110.5° |
C4' | C3' | H3' | 113.0° | 110.5° |
O4' | C1' | H1' | 114.2° | 110.4° |
O3' | C3' | H3' | 106.1° | 110.4° |
C3' | O3' | HO3' | 110.2° | 106.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P | OP2 | OP3 | 124.2° | 120.0° |
OP1 | P | OP2 | O5' | 125.4° | 120.0° |
OP1 | P | OP3 | O5' | 116.3° | 120.0° |
OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
OP1 | P | OP3 | HOP3 | 179.9° | 180.0° |
OP1 | P | O5' | C5' | 56.6° | 60.0° |
OP2 | P | OP3 | O5' | 113.6° | 120.0° |
OP2 | P | OP3 | HOP3 | 50.0° | 60.0° |
OP2 | P | O5' | C5' | 172.1° | 180.0° |
OP3 | P | OP2 | HOP2 | 55.8° | 60.0° |
OP3 | P | O5' | C5' | 60.2° | 60.0° |
O5' | P | OP2 | HOP2 | 54.6° | 180.0° |
O5' | P | OP3 | HOP3 | 63.6° | 60.0° |
P | O5' | C5' | C4' | 161.5° | 180.0° |
P | O5' | C5' | H5' | 73.2° | 60.0° |
P | O5' | C5' | H5'' | 36.3° | 60.0° |
O5' | C5' | C4' | H5' | 125.3° | 120.0° |
O5' | C5' | C4' | H5'' | 125.3° | 120.1° |
O5' | C5' | H5' | H5'' | 118.0° | 120.1° |
O5' | C5' | C4' | O4' | 60.7° | 61.4° |
O5' | C5' | C4' | C3' | 55.7° | 176.9° |
O5' | C5' | C4' | H4' | 175.7° | 60.8° |
C4 | N9 | C8 | C1' | 179.8° | 120.1° |
N9 | C4 | N3 | C5 | 179.8° | 179.0° |
N9 | C4 | N3 | C2 | 179.4° | 169.8° |
N9 | C4 | C5 | C6 | 178.9° | 178.7° |
N9 | C4 | C5 | N7 | 0.6° | 0.6° |
C4 | N9 | C8 | N7 | 0.2° | 0.5° |
C4 | N9 | C8 | H8 | 179.8° | 179.6° |
C4 | N9 | C1' | C2' | 64.8° | 67.5° |
C4 | N9 | C1' | O4' | 177.3° | 47.9° |
C4 | N9 | C1' | H1' | 54.2° | 170.3° |
C8 | N9 | C4 | N3 | 180.0° | 179.8° |
C8 | N9 | C4 | C5 | 0.2° | 0.7° |
N9 | C8 | N7 | C5 | 0.5° | 0.1° |
N9 | C8 | N7 | H8 | 180.0° | 179.9° |
C8 | N9 | C1' | C2' | 114.9° | 172.2° |
C8 | N9 | C1' | O4' | 3.0° | 72.3° |
C8 | N9 | C1' | H1' | 126.1° | 50.0° |
C1' | N9 | C4 | N3 | 0.2° | 59.7° |
C1' | N9 | C4 | C5 | 180.0° | 119.4° |
C1' | N9 | C8 | N7 | 179.6° | 119.6° |
C1' | N9 | C8 | H8 | 0.4° | 60.3° |
N9 | C1' | C2' | O4' | 117.9° | 118.9° |
N9 | C1' | C2' | H1' | 119.0° | 122.2° |
N9 | C1' | C2' | C3' | 139.7° | 142.9° |
N9 | C1' | C2' | H2' | 95.1° | 24.3° |
N9 | C1' | C2' | H2'' | 14.5° | 98.4° |
N9 | C1' | O4' | C4' | 125.7° | 159.3° |
N9 | C1' | O4' | H1' | 118.9° | 122.3° |
C4 | N3 | C2 | N1 | 0.4° | 0.3° |
C4 | N3 | C2 | H2 | 179.6° | 179.7° |
N3 | C4 | C5 | C6 | 0.9° | 0.6° |
N3 | C4 | C5 | N7 | 179.6° | 179.9° |
C5 | C4 | N3 | C2 | 0.3° | 11.2° |
C4 | C5 | C6 | N1 | 0.7° | 21.5° |
C4 | C5 | C6 | N6 | 179.2° | 159.8° |
C4 | C5 | C6 | N7 | 179.4° | 179.0° |
C4 | C5 | N7 | C8 | 0.6° | 0.3° |
N3 | C2 | N1 | H2 | 180.0° | 180.0° |
N3 | C2 | N1 | C6 | 0.5° | 22.1° |
N3 | C2 | N1 | C10 | 179.5° | 152.7° |
C2 | N1 | C6 | C10 | 180.0° | 133.3° |
C2 | N1 | C6 | N6 | 179.8° | 148.7° |
C2 | N1 | C6 | C5 | 0.1° | 32.1° |
C2 | N1 | C10 | C11 | 179.8° | 146.1° |
C2 | N1 | C10 | H10 | 0.2° | 34.0° |
H2 | C2 | N1 | C6 | 179.5° | 157.9° |
H2 | C2 | N1 | C10 | 0.5° | 27.3° |
N1 | C6 | N6 | C5 | 179.9° | 178.9° |
C6 | N1 | C10 | C11 | 0.1° | 11.5° |
C6 | N1 | C10 | H10 | 179.9° | 168.6° |
N1 | C6 | N6 | C11 | 0.1° | 12.4° |
N1 | C6 | C5 | N7 | 179.9° | 159.5° |
C10 | N1 | C6 | N6 | 0.2° | 15.5° |
C10 | N1 | C6 | C5 | 179.9° | 165.4° |
N1 | C10 | C11 | H10 | 180.0° | 179.9° |
N1 | C10 | C11 | N6 | 0.1° | 3.7° |
N1 | C10 | C11 | H11 | 179.9° | 176.3° |
C6 | N6 | C11 | C10 | 0.0° | 6.2° |
C6 | N6 | C11 | H11 | 180.0° | 173.8° |
N6 | C6 | C5 | N7 | 0.2° | 19.3° |
C5 | C6 | N6 | C11 | 180.0° | 168.8° |
C6 | C5 | N7 | C8 | 178.8° | 178.8° |
C10 | C11 | N6 | H11 | 180.0° | 180.0° |
H10 | C10 | C11 | N6 | 179.9° | 176.4° |
H10 | C10 | C11 | H11 | 0.1° | 3.6° |
C5 | N7 | C8 | H8 | 179.5° | 180.0° |
C1' | C2' | C3' | H2' | 125.2° | 118.6° |
C1' | C2' | C3' | H2'' | 125.3° | 118.6° |
C1' | C2' | H2' | H2'' | 120.3° | 122.7° |
C2' | C1' | O4' | C4' | 3.4° | 40.4° |
C1' | C2' | C3' | C4' | 30.6° | 0.1° |
C2' | C1' | O4' | H1' | 118.9° | 118.8° |
C1' | C2' | C3' | O3' | 87.7° | 118.7° |
C1' | C2' | C3' | H3' | 153.3° | 118.8° |
C3' | C2' | H2' | H2'' | 120.2° | 122.7° |
C2' | C3' | C4' | C5' | 88.4° | 142.7° |
C2' | C3' | C4' | O4' | 29.2° | 23.8° |
C2' | C3' | C4' | O3' | 117.9° | 118.7° |
C2' | C3' | C4' | H3' | 123.1° | 118.7° |
C2' | C3' | C4' | H4' | 152.8° | 94.9° |
C3' | C2' | C1' | O4' | 21.8° | 24.0° |
C3' | C2' | C1' | H1' | 101.3° | 94.9° |
C2' | C3' | O3' | H3' | 123.6° | 122.5° |
C2' | C3' | O3' | HO3' | 180.0° | 63.2° |
H2' | C2' | C3' | C4' | 155.9° | 118.6° |
H2' | C2' | C1' | O4' | 147.1° | 94.6° |
H2' | C2' | C1' | H1' | 24.0° | 146.5° |
H2' | C2' | C3' | O3' | 37.5° | 122.7° |
H2' | C2' | C3' | H3' | 81.5° | 0.2° |
H2'' | C2' | C3' | C4' | 94.6° | 118.7° |
H2'' | C2' | C1' | O4' | 103.4° | 142.7° |
H2'' | C2' | C1' | H1' | 133.5° | 23.8° |
H2'' | C2' | C3' | O3' | 147.0° | 0.0° |
H2'' | C2' | C3' | H3' | 28.0° | 122.5° |
C4' | C5' | H5' | H5'' | 118.0° | 119.9° |
C5' | C4' | O4' | C3' | 121.6° | 119.2° |
C5' | C4' | O4' | H4' | 118.6° | 122.2° |
C5' | C4' | C3' | H4' | 118.8° | 122.4° |
C5' | C4' | O4' | C1' | 105.2° | 159.5° |
C5' | C4' | C3' | O3' | 153.7° | 98.5° |
C5' | C4' | C3' | H3' | 34.7° | 24.0° |
H5' | C5' | C4' | O4' | 174.0° | 178.6° |
H5' | C5' | C4' | C3' | 69.6° | 63.1° |
H5' | C5' | C4' | H4' | 50.4° | 59.2° |
H5'' | C5' | C4' | O4' | 64.6° | 58.6° |
H5'' | C5' | C4' | C3' | 179.0° | 56.8° |
H5'' | C5' | C4' | H4' | 59.0° | 179.1° |
O4' | C4' | C3' | H4' | 123.6° | 118.7° |
C4' | O4' | C1' | H1' | 115.4° | 78.4° |
O4' | C4' | C3' | O3' | 88.7° | 142.6° |
O4' | C4' | C3' | H3' | 152.3° | 94.9° |
C3' | C4' | O4' | C1' | 16.4° | 40.3° |
C4' | C3' | O3' | H3' | 123.1° | 122.6° |
C4' | C3' | O3' | HO3' | 66.7° | 178.1° |
H4' | C4' | O4' | C1' | 136.1° | 78.3° |
H4' | C4' | C3' | O3' | 34.9° | 23.8° |
H4' | C4' | C3' | H3' | 84.1° | 146.4° |
H3' | C3' | O3' | HO3' | 56.4° | 59.3° |