EFG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O6 | C6 | doub | 1.22Å | 1.23Å | |
OP2 | P | sing | 1.61Å | 1.47Å | |
C6 | C5 | sing | 1.46Å | 1.35Å | |
C6 | N1 | sing | 1.35Å | 1.39Å | |
N7 | C5 | sing | 1.36Å | 1.33Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
P | OP1 | doub | 1.48Å | 1.48Å | |
P | O5' | sing | 1.61Å | 1.59Å | |
C5 | C4 | doub | 1.39Å | 1.34Å | Aromatic |
N1 | C2 | sing | 1.38Å | 1.38Å | |
C8 | N9 | sing | 1.36Å | 1.33Å | Aromatic |
O5' | C5' | sing | 1.43Å | 1.44Å | |
F | C2' | sing | 1.40Å | 1.39Å | |
C4 | N9 | sing | 1.36Å | 1.33Å | Aromatic |
C4 | N3 | sing | 1.38Å | 1.34Å | |
N9 | C1' | sing | 1.46Å | 1.50Å | |
C2 | N3 | sing | 1.36Å | 1.33Å | Aromatic |
C2 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
N3 | C9 | sing | 1.38Å | 1.33Å | Aromatic |
C5' | C4' | sing | 1.53Å | 1.54Å | |
N2 | C10 | sing | 1.34Å | 1.32Å | Aromatic |
C2' | C1' | sing | 1.54Å | 1.52Å | |
C2' | C3' | sing | 1.55Å | 1.51Å | |
C1' | O4' | sing | 1.44Å | 1.47Å | |
C9 | C10 | doub | 1.34Å | 1.34Å | Aromatic |
C3' | C4' | sing | 1.55Å | 1.55Å | |
C3' | O3' | sing | 1.43Å | 1.40Å | |
O4' | C4' | sing | 1.44Å | 1.47Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C10 | H9 | sing | 1.08Å | 1.08Å | |
C9 | H10 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'' | sing | 1.09Å | 1.10Å | |
P | OP3 | sing | 1.61Å | 47.71Å | |
OP3 | HOP3 | sing | 0.97Å | 0.00Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O6 | C6 | C5 | 122.3° | 120.5° |
O6 | C6 | N1 | 117.8° | 120.5° |
OP2 | P | OP1 | 119.4° | 109.5° |
OP2 | P | O5' | 111.9° | 109.5° |
OP2 | P | OP3 | 29.9° | 109.4° |
P | OP2 | HOP2 | 109.5° | 114.0° |
C5 | C6 | N1 | 119.9° | 118.9° |
C6 | C5 | N7 | 131.5° | 133.8° |
C6 | C5 | C4 | 121.1° | 118.7° |
C6 | N1 | C2 | 118.2° | 120.8° |
C6 | N1 | H1 | 120.9° | 119.7° |
C5 | N7 | C8 | 107.9° | 109.1° |
N7 | C5 | C4 | 107.4° | 107.4° |
N7 | C8 | N9 | 109.1° | 109.5° |
N7 | C8 | H8 | 125.5° | 125.2° |
OP1 | P | O5' | 107.1° | 109.5° |
OP1 | P | OP3 | 109.6° | 109.5° |
P | O5' | C5' | 120.6° | 123.0° |
O5' | P | OP3 | 138.2° | 109.5° |
C5 | C4 | N9 | 108.7° | 106.4° |
C5 | C4 | N3 | 118.3° | 119.7° |
N1 | C2 | N3 | 118.6° | 121.0° |
N1 | C2 | N2 | 132.5° | 130.9° |
C2 | N1 | H1 | 120.9° | 119.6° |
C8 | N9 | C4 | 106.9° | 107.6° |
C8 | N9 | C1' | 126.1° | 126.2° |
N9 | C8 | H8 | 125.4° | 125.3° |
O5' | C5' | C4' | 110.0° | 109.4° |
O5' | C5' | H5' | 109.4° | 109.5° |
O5' | C5' | H5'' | 109.3° | 109.5° |
F | C2' | C1' | 114.9° | 110.5° |
F | C2' | C3' | 102.6° | 110.5° |
F | C2' | H2' | 112.0° | 110.6° |
N9 | C4 | N3 | 133.0° | 133.9° |
C4 | N9 | C1' | 126.9° | 126.2° |
C4 | N3 | C2 | 123.9° | 120.9° |
C4 | N3 | C9 | 128.9° | 132.0° |
N9 | C1' | C2' | 117.8° | 110.4° |
N9 | C1' | O4' | 104.1° | 110.3° |
N9 | C1' | H1' | 108.9° | 110.3° |
N3 | C2 | N2 | 108.9° | 108.1° |
C2 | N3 | C9 | 107.2° | 107.2° |
C2 | N2 | C10 | 108.1° | 109.4° |
N3 | C9 | C10 | 108.4° | 106.9° |
N3 | C9 | H10 | 125.8° | 126.6° |
C5' | C4' | C3' | 110.5° | 110.3° |
C5' | C4' | O4' | 114.1° | 110.4° |
C5' | C4' | H4' | 108.4° | 110.5° |
C4' | C5' | H5' | 109.3° | 109.5° |
C4' | C5' | H5'' | 109.4° | 109.5° |
N2 | C10 | C9 | 107.4° | 108.4° |
N2 | C10 | H9 | 126.3° | 125.8° |
C1' | C2' | C3' | 106.6° | 104.1° |
C2' | C1' | O4' | 107.8° | 104.8° |
C2' | C1' | H1' | 108.5° | 110.5° |
C1' | C2' | H2' | 110.0° | 110.5° |
C2' | C3' | C4' | 106.0° | 104.1° |
C2' | C3' | O3' | 108.7° | 110.5° |
C3' | C2' | H2' | 110.3° | 110.6° |
C2' | C3' | H3' | 111.1° | 110.6° |
C1' | O4' | C4' | 109.7° | 105.2° |
O4' | C1' | H1' | 109.3° | 110.3° |
C9 | C10 | H9 | 126.3° | 125.8° |
C10 | C9 | H10 | 125.8° | 126.5° |
C4' | C3' | O3' | 107.3° | 110.5° |
C3' | C4' | O4' | 106.1° | 104.8° |
C4' | C3' | H3' | 110.6° | 110.5° |
C3' | C4' | H4' | 108.3° | 110.4° |
O3' | C3' | H3' | 112.8° | 110.6° |
C3' | O3' | HO3' | 109.5° | 114.0° |
O4' | C4' | H4' | 109.3° | 110.4° |
H5' | C5' | H5'' | 109.5° | 109.4° |
P | OP3 | HOP3 | 90.0° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C6 | C5 | N1 | 179.6° | 179.7° |
O6 | C6 | C5 | N7 | 0.9° | 0.0° |
O6 | C6 | C5 | C4 | 179.6° | 179.7° |
O6 | C6 | N1 | C2 | 179.8° | 180.0° |
O6 | C6 | N1 | H1 | 0.3° | 0.0° |
OP2 | P | OP1 | O5' | 128.3° | 120.0° |
OP2 | P | OP1 | OP3 | 31.1° | 120.0° |
OP2 | P | O5' | OP3 | 17.7° | 120.0° |
OP2 | P | O5' | C5' | 168.8° | 65.0° |
OP2 | P | OP3 | HOP3 | 90.0° | 60.0° |
C6 | C5 | N7 | C4 | 179.6° | 179.7° |
C6 | C5 | N7 | C8 | 179.2° | 180.0° |
C5 | C6 | N1 | C2 | 0.2° | 0.3° |
C6 | C5 | C4 | N9 | 180.0° | 179.7° |
C6 | C5 | C4 | N3 | 0.0° | 0.6° |
C5 | C6 | N1 | H1 | 179.8° | 179.7° |
N1 | C6 | C5 | N7 | 179.6° | 179.7° |
N1 | C6 | C5 | C4 | 0.0° | 0.6° |
C6 | N1 | C2 | H1 | 180.0° | 179.9° |
C6 | N1 | C2 | N3 | 0.4° | 0.1° |
C6 | N1 | C2 | N2 | 179.7° | 180.0° |
C5 | N7 | C8 | N9 | 0.9° | 0.5° |
N7 | C5 | C4 | N9 | 0.3° | 0.1° |
N7 | C5 | C4 | N3 | 179.7° | 179.6° |
C5 | N7 | C8 | H8 | 179.1° | 180.0° |
C8 | N7 | C5 | C4 | 0.4° | 0.2° |
N7 | C8 | N9 | H8 | 180.0° | 179.5° |
N7 | C8 | N9 | C4 | 1.1° | 0.6° |
N7 | C8 | N9 | C1' | 177.4° | 179.9° |
OP1 | P | O5' | OP3 | 150.3° | 120.1° |
OP1 | P | O5' | C5' | 58.6° | 55.0° |
OP1 | P | OP3 | HOP3 | 90.0° | 60.0° |
OP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
P | O5' | C5' | C4' | 172.0° | 180.0° |
P | O5' | C5' | H5' | 51.9° | 60.0° |
P | O5' | C5' | H5'' | 67.9° | 60.0° |
O5' | P | OP3 | HOP3 | 90.0° | 180.0° |
O5' | P | OP2 | HOP2 | 126.1° | 60.0° |
C5 | C4 | N9 | C8 | 0.9° | 0.4° |
C5 | C4 | N9 | N3 | 180.0° | 179.7° |
C5 | C4 | N9 | C1' | 177.2° | 179.7° |
C5 | C4 | N3 | C2 | 0.2° | 0.3° |
C5 | C4 | N3 | C9 | 179.2° | 179.7° |
N1 | C2 | N3 | C4 | 0.4° | 0.1° |
N1 | C2 | N3 | N2 | 179.5° | 180.0° |
N1 | C2 | N3 | C9 | 179.6° | 180.0° |
N1 | C2 | N2 | C10 | 179.8° | 180.0° |
C8 | N9 | C4 | C1' | 176.3° | 179.3° |
C8 | N9 | C4 | N3 | 179.1° | 179.3° |
C8 | N9 | C1' | C2' | 57.1° | 91.1° |
C8 | N9 | C1' | O4' | 62.3° | 24.3° |
C8 | N9 | C1' | H1' | 178.8° | 146.5° |
O5' | C5' | C4' | H5' | 120.1° | 120.0° |
O5' | C5' | C4' | H5'' | 120.1° | 120.0° |
O5' | C5' | C4' | C3' | 25.1° | 178.2° |
O5' | C5' | C4' | O4' | 94.3° | 66.5° |
O5' | C5' | C4' | H4' | 143.7° | 55.9° |
O5' | C5' | H5' | H5'' | 119.8° | 120.0° |
C5' | O5' | P | OP3 | 151.1° | 175.0° |
F | C2' | C1' | N9 | 8.0° | 24.2° |
F | C2' | C1' | C3' | 112.9° | 118.6° |
F | C2' | C1' | H2' | 127.5° | 122.7° |
F | C2' | C3' | H2' | 119.5° | 122.7° |
F | C2' | C1' | O4' | 109.4° | 94.7° |
F | C2' | C3' | C4' | 107.1° | 118.7° |
F | C2' | C3' | O3' | 137.9° | 122.7° |
F | C2' | C1' | H1' | 132.2° | 146.5° |
F | C2' | C3' | H3' | 13.2° | 0.0° |
N9 | C4 | N3 | C2 | 179.8° | 180.0° |
N9 | C4 | N3 | C9 | 0.8° | 0.0° |
C4 | N9 | C1' | C2' | 127.4° | 88.1° |
C4 | N9 | C1' | O4' | 113.3° | 156.5° |
C4 | N9 | C8 | H8 | 178.9° | 179.9° |
C4 | N9 | C1' | H1' | 3.3° | 34.3° |
N3 | C4 | N9 | C1' | 2.8° | 0.0° |
C4 | N3 | C2 | C9 | 179.2° | 180.0° |
C4 | N3 | C2 | N2 | 179.9° | 180.0° |
C4 | N3 | C9 | C10 | 179.8° | 180.0° |
C4 | N3 | C9 | H10 | 0.2° | 0.0° |
N9 | C1' | C2' | O4' | 117.4° | 118.8° |
N9 | C1' | C2' | H1' | 124.3° | 122.3° |
N9 | C1' | C2' | C3' | 120.8° | 142.8° |
N9 | C1' | O4' | H1' | 116.2° | 122.1° |
N9 | C1' | O4' | C4' | 116.6° | 159.4° |
C1' | N9 | C8 | H8 | 2.6° | 0.6° |
N9 | C1' | C2' | H2' | 119.6° | 98.5° |
N3 | C2 | N2 | C10 | 0.8° | 0.0° |
C2 | N3 | C9 | C10 | 0.7° | 0.0° |
N3 | C2 | N1 | H1 | 179.7° | 180.0° |
C2 | N3 | C9 | H10 | 179.3° | 180.0° |
N2 | C2 | N3 | C9 | 0.9° | 0.0° |
C2 | N2 | C10 | C9 | 0.4° | 0.0° |
N2 | C2 | N1 | H1 | 0.3° | 0.0° |
C2 | N2 | C10 | H9 | 179.6° | 180.0° |
N3 | C9 | C10 | N2 | 0.2° | 0.0° |
N3 | C9 | C10 | H10 | 180.0° | 180.0° |
N3 | C9 | C10 | H9 | 179.8° | 180.0° |
C5' | C4' | C3' | C2' | 104.5° | 142.8° |
C5' | C4' | O4' | C1' | 103.9° | 159.3° |
C5' | C4' | C3' | O4' | 124.1° | 118.8° |
C5' | C4' | C3' | H4' | 118.6° | 122.4° |
C5' | C4' | C3' | O3' | 139.5° | 98.6° |
C5' | C4' | O4' | H4' | 121.5° | 122.4° |
C5' | C4' | C3' | H3' | 16.1° | 24.1° |
C4' | C5' | H5' | H5'' | 119.8° | 120.0° |
N2 | C10 | C9 | H9 | 180.0° | 180.0° |
N2 | C10 | C9 | H10 | 179.8° | 180.0° |
C1' | C2' | C3' | H2' | 119.4° | 118.7° |
C2' | C1' | O4' | H1' | 117.9° | 119.0° |
C1' | C2' | C3' | C4' | 14.0° | 0.1° |
C1' | C2' | C3' | O3' | 101.0° | 118.6° |
C2' | C1' | O4' | C4' | 9.3° | 40.5° |
C1' | C2' | C3' | H3' | 134.3° | 118.6° |
C3' | C2' | C1' | O4' | 3.5° | 24.0° |
C2' | C3' | C4' | O3' | 116.0° | 118.6° |
C2' | C3' | C4' | H3' | 120.6° | 118.7° |
C2' | C3' | O3' | H3' | 123.7° | 122.7° |
C2' | C3' | C4' | O4' | 19.6° | 24.1° |
C3' | C2' | C1' | H1' | 114.9° | 94.9° |
C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
C2' | C3' | C4' | H4' | 136.9° | 94.8° |
C1' | O4' | C4' | C3' | 17.9° | 40.6° |
O4' | C1' | C2' | H2' | 123.1° | 142.7° |
C1' | O4' | C4' | H4' | 134.6° | 78.3° |
C4' | C3' | O3' | H3' | 122.0° | 122.7° |
C3' | C4' | O4' | H4' | 116.6° | 118.8° |
C4' | C3' | C2' | H2' | 133.5° | 118.6° |
C4' | C3' | O3' | HO3' | 65.8° | 176.1° |
C3' | C4' | C5' | H5' | 95.0° | 58.2° |
C3' | C4' | C5' | H5'' | 145.2° | 61.8° |
O3' | C3' | C4' | O4' | 96.4° | 142.6° |
O3' | C3' | C2' | H2' | 18.4° | 0.0° |
O3' | C3' | C4' | H4' | 20.9° | 23.8° |
C4' | O4' | C1' | H1' | 127.1° | 78.5° |
O4' | C4' | C3' | H3' | 140.2° | 94.7° |
O4' | C4' | C5' | H5' | 145.6° | 173.5° |
O4' | C4' | C5' | H5'' | 25.8° | 53.5° |
H9 | C10 | C9 | H10 | 0.2° | 0.0° |
H1' | C1' | C2' | H2' | 4.7° | 23.8° |
H2' | C2' | C3' | H3' | 106.3° | 122.7° |
H3' | C3' | O3' | HO3' | 56.3° | 61.3° |
H3' | C3' | C4' | H4' | 102.5° | 146.5° |
H4' | C4' | C5' | H5' | 23.6° | 64.1° |
H4' | C4' | C5' | H5'' | 96.3° | 175.9° |
OP3 | P | OP2 | HOP2 | 78.0° | 59.9° |