FA2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | OP1 | doub | 1.50Å | 1.48Å | |
P | OP2 | sing | 1.62Å | 1.46Å | |
P | O3' | sing | 1.62Å | 1.54Å | |
P | OP3 | sing | 1.62Å | 34.06Å | |
OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
O3' | C3' | sing | 1.41Å | 1.45Å | |
N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
N9 | C8 | sing | 1.37Å | 1.36Å | Aromatic |
N9 | C1' | sing | 1.46Å | 1.46Å | |
C4 | N3 | sing | 1.34Å | 1.37Å | Aromatic |
C4 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
N3 | C2 | doub | 1.35Å | 1.30Å | Aromatic |
C2 | N1 | sing | 1.36Å | 1.34Å | Aromatic |
C2 | H2 | sing | 1.08Å | 0.93Å | |
N1 | C6 | doub | 1.35Å | 1.35Å | Aromatic |
C6 | N6 | sing | 1.41Å | 1.33Å | |
C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
N6 | H6A | sing | 1.00Å | 0.86Å | |
N6 | H6B | sing | 1.00Å | 0.86Å | |
C5 | N7 | sing | 1.37Å | 1.39Å | Aromatic |
N7 | C8 | doub | 1.32Å | 1.33Å | Aromatic |
C8 | H8 | sing | 1.08Å | 0.93Å | |
C2' | C1' | sing | 1.52Å | 1.56Å | |
C2' | C3' | sing | 1.51Å | 1.53Å | |
C2' | O2' | sing | 1.42Å | 1.41Å | |
C2' | H2' | sing | 1.10Å | 0.98Å | |
C4' | O4' | sing | 1.43Å | 1.43Å | |
C4' | C3' | sing | 1.51Å | 1.50Å | |
C4' | H4'1 | sing | 1.09Å | 0.97Å | |
C4' | H4'2 | sing | 1.10Å | 0.97Å | |
O4' | C1' | sing | 1.44Å | 1.35Å | |
C1' | H1' | sing | 1.10Å | 0.98Å | |
C3' | H3' | sing | 1.10Å | 0.98Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
OP3 | HOP3 | sing | 0.98Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP1 | P | OP2 | 120.4° | 115.3° |
OP1 | P | O3' | 110.6° | 115.1° |
OP1 | P | OP3 | 149.5° | 115.0° |
OP2 | P | O3' | 108.1° | 103.8° |
OP2 | P | OP3 | 56.0° | 103.3° |
P | OP2 | HOP2 | 120.4° | 119.0° |
O3' | P | OP3 | 98.2° | 102.7° |
P | O3' | C3' | 123.4° | 118.3° |
P | OP3 | HOP3 | 149.5° | 119.0° |
O3' | C3' | C2' | 105.7° | 111.4° |
O3' | C3' | C4' | 112.9° | 112.0° |
O3' | C3' | H3' | 111.7° | 108.6° |
C4 | N9 | C8 | 105.9° | 107.1° |
C4 | N9 | C1' | 128.1° | 126.9° |
N9 | C4 | N3 | 127.5° | 127.6° |
N9 | C4 | C5 | 106.8° | 105.2° |
C8 | N9 | C1' | 125.9° | 126.0° |
N9 | C8 | N7 | 113.1° | 112.2° |
N9 | C8 | H8 | 123.4° | 122.3° |
N9 | C1' | C2' | 110.2° | 113.7° |
N9 | C1' | O4' | 117.2° | 109.2° |
N9 | C1' | H1' | 106.4° | 105.4° |
N3 | C4 | C5 | 125.7° | 127.2° |
C4 | N3 | C2 | 110.7° | 110.4° |
C4 | C5 | C6 | 116.8° | 116.8° |
C4 | C5 | N7 | 109.8° | 110.7° |
N3 | C2 | N1 | 130.5° | 128.9° |
N3 | C2 | H2 | 114.7° | 115.6° |
N1 | C2 | H2 | 114.7° | 115.5° |
C2 | N1 | C6 | 116.9° | 117.5° |
N1 | C6 | N6 | 116.9° | 120.2° |
N1 | C6 | C5 | 119.4° | 119.1° |
N6 | C6 | C5 | 123.7° | 120.7° |
C6 | N6 | H6A | 120.0° | 119.5° |
C6 | N6 | H6B | 120.0° | 119.4° |
C6 | C5 | N7 | 133.4° | 132.4° |
H6A | N6 | H6B | 120.0° | 120.9° |
C5 | N7 | C8 | 104.3° | 104.8° |
N7 | C8 | H8 | 123.4° | 125.6° |
C1' | C2' | C3' | 100.7° | 101.7° |
C1' | C2' | O2' | 110.7° | 110.8° |
C1' | C2' | H2' | 111.6° | 112.8° |
C2' | C1' | O4' | 109.5° | 107.1° |
C2' | C1' | H1' | 106.4° | 112.7° |
C3' | C2' | O2' | 110.4° | 111.6° |
C3' | C2' | H2' | 111.5° | 111.7° |
C2' | C3' | C4' | 102.7° | 101.9° |
C2' | C3' | H3' | 111.7° | 111.3° |
O2' | C2' | H2' | 111.5° | 108.3° |
C2' | O2' | HO2' | 110.7° | 106.5° |
O4' | C4' | C3' | 104.8° | 106.6° |
O4' | C4' | H4'1 | 110.8° | 109.6° |
O4' | C4' | H4'2 | 110.8° | 108.6° |
C4' | O4' | C1' | 109.2° | 108.3° |
C3' | C4' | H4'1 | 110.8° | 112.2° |
C3' | C4' | H4'2 | 110.8° | 112.1° |
C4' | C3' | H3' | 111.7° | 111.6° |
H4'1 | C4' | H4'2 | 108.9° | 107.7° |
O4' | C1' | H1' | 106.4° | 108.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P | OP2 | O3' | 128.3° | 126.8° |
OP1 | P | OP2 | OP3 | 144.0° | 126.3° |
OP1 | P | O3' | OP3 | 169.5° | 125.7° |
OP1 | P | OP2 | HOP2 | 180.0° | 48.8° |
OP1 | P | O3' | C3' | 22.6° | 60.0° |
OP1 | P | OP3 | HOP3 | 179.9° | 48.0° |
OP2 | P | O3' | OP3 | 56.9° | 107.3° |
OP2 | P | O3' | C3' | 156.3° | 173.1° |
OP2 | P | OP3 | HOP3 | 86.6° | 78.5° |
O3' | P | OP2 | HOP2 | 51.8° | 175.6° |
P | O3' | C3' | C2' | 172.0° | 173.3° |
P | O3' | C3' | C4' | 76.5° | 60.0° |
P | O3' | C3' | H3' | 50.3° | 63.7° |
O3' | P | OP3 | HOP3 | 19.7° | 173.8° |
OP3 | P | OP2 | HOP2 | 36.0° | 77.5° |
OP3 | P | O3' | C3' | 146.9° | 65.8° |
O3' | C3' | C2' | C1' | 90.5° | 156.3° |
O3' | C3' | C2' | C4' | 118.5° | 119.5° |
O3' | C3' | C2' | H3' | 121.7° | 121.4° |
O3' | C3' | C2' | O2' | 152.5° | 85.5° |
O3' | C3' | C2' | H2' | 28.0° | 35.8° |
O3' | C3' | C4' | O4' | 76.8° | 152.9° |
O3' | C3' | C4' | H3' | 126.8° | 122.0° |
O3' | C3' | C4' | H4'1 | 163.7° | 87.1° |
O3' | C3' | C4' | H4'2 | 42.8° | 34.3° |
C4 | N9 | C8 | C1' | 179.8° | 180.0° |
N9 | C4 | N3 | C5 | 179.7° | 180.0° |
N9 | C4 | N3 | C2 | 179.5° | 180.0° |
N9 | C4 | C5 | C6 | 179.6° | 180.0° |
N9 | C4 | C5 | N7 | 0.4° | 0.1° |
C4 | N9 | C8 | N7 | 0.3° | 0.0° |
C4 | N9 | C8 | H8 | 179.8° | 180.0° |
C4 | N9 | C1' | C2' | 129.8° | 94.0° |
C4 | N9 | C1' | O4' | 104.1° | 146.5° |
C4 | N9 | C1' | H1' | 14.8° | 29.9° |
C8 | N9 | C4 | N3 | 179.9° | 180.0° |
C8 | N9 | C4 | C5 | 0.4° | 0.0° |
N9 | C8 | N7 | C5 | 0.0° | 0.0° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
C8 | N9 | C1' | C2' | 50.4° | 86.1° |
C8 | N9 | C1' | O4' | 75.7° | 33.5° |
C8 | N9 | C1' | H1' | 165.5° | 150.0° |
C1' | N9 | C4 | N3 | 0.1° | 0.0° |
C1' | N9 | C4 | C5 | 179.8° | 179.9° |
C1' | N9 | C8 | N7 | 179.9° | 180.0° |
C1' | N9 | C8 | H8 | 0.1° | 0.0° |
N9 | C1' | C2' | O4' | 130.3° | 120.8° |
N9 | C1' | C2' | H1' | 115.0° | 119.8° |
N9 | C1' | C2' | C3' | 119.4° | 149.2° |
N9 | C1' | C2' | O2' | 123.8° | 92.1° |
N9 | C1' | C2' | H2' | 1.0° | 29.5° |
N9 | C1' | O4' | C4' | 138.6° | 131.4° |
N9 | C1' | O4' | H1' | 118.9° | 114.4° |
C4 | N3 | C2 | N1 | 0.5° | 0.1° |
C4 | N3 | C2 | H2 | 179.5° | 179.9° |
N3 | C4 | C5 | C6 | 0.1° | 0.1° |
N3 | C4 | C5 | N7 | 179.9° | 180.0° |
C5 | C4 | N3 | C2 | 0.2° | 0.1° |
C4 | C5 | C6 | N1 | 0.2° | 0.0° |
C4 | C5 | C6 | N6 | 179.6° | 180.0° |
C4 | C5 | C6 | N7 | 179.9° | 179.9° |
C4 | C5 | N7 | C8 | 0.3° | 0.0° |
N3 | C2 | N1 | H2 | 180.0° | 179.9° |
N3 | C2 | N1 | C6 | 0.6° | 0.1° |
C2 | N1 | C6 | N6 | 179.8° | 180.0° |
C2 | N1 | C6 | C5 | 0.4° | 0.1° |
H2 | C2 | N1 | C6 | 179.4° | 179.9° |
N1 | C6 | N6 | C5 | 179.4° | 180.0° |
N1 | C6 | N6 | H6A | 0.0° | 97.8° |
N1 | C6 | N6 | H6B | 180.0° | 88.4° |
N1 | C6 | C5 | N7 | 179.7° | 179.9° |
C6 | N6 | H6A | H6B | 180.0° | 173.7° |
N6 | C6 | C5 | N7 | 0.3° | 0.1° |
C5 | C6 | N6 | H6A | 179.4° | 82.2° |
C5 | C6 | N6 | H6B | 0.6° | 91.6° |
C6 | C5 | N7 | C8 | 179.8° | 179.9° |
C5 | N7 | C8 | H8 | 180.0° | 180.0° |
C1' | C2' | C3' | O2' | 117.0° | 118.1° |
C1' | C2' | C3' | H2' | 118.5° | 120.5° |
C1' | C2' | O2' | H2' | 124.8° | 124.2° |
C2' | C1' | O4' | C4' | 12.1° | 7.8° |
C1' | C2' | C3' | C4' | 28.0° | 36.8° |
C2' | C1' | O4' | H1' | 114.6° | 122.0° |
C1' | C2' | C3' | H3' | 147.8° | 82.3° |
C1' | C2' | O2' | HO2' | 180.0° | 2.4° |
C3' | C2' | O2' | H2' | 124.5° | 123.3° |
C2' | C3' | C4' | O4' | 36.6° | 33.8° |
C2' | C3' | C4' | H3' | 119.8° | 118.9° |
C2' | C3' | C4' | H4'1 | 82.9° | 153.8° |
C2' | C3' | C4' | H4'2 | 156.1° | 84.9° |
C3' | C2' | C1' | O4' | 10.9° | 28.5° |
C3' | C2' | C1' | H1' | 125.6° | 90.9° |
C3' | C2' | O2' | HO2' | 69.3° | 114.9° |
O2' | C2' | C3' | C4' | 89.0° | 154.9° |
O2' | C2' | C1' | O4' | 105.9° | 147.1° |
O2' | C2' | C1' | H1' | 8.8° | 27.7° |
O2' | C2' | C3' | H3' | 30.8° | 35.9° |
H2' | C2' | C3' | C4' | 146.5° | 83.7° |
H2' | C2' | C1' | O4' | 129.4° | 91.3° |
H2' | C2' | C1' | H1' | 116.0° | 149.3° |
H2' | C2' | C3' | H3' | 93.7° | 157.2° |
H2' | C2' | O2' | HO2' | 55.2° | 121.8° |
O4' | C4' | C3' | H4'1 | 119.5° | 120.0° |
O4' | C4' | C3' | H4'2 | 119.6° | 118.6° |
O4' | C4' | H4'1 | H4'2 | 122.1° | 118.0° |
C4' | O4' | C1' | H1' | 102.5° | 114.1° |
O4' | C4' | C3' | H3' | 156.4° | 85.1° |
C3' | C4' | H4'1 | H4'2 | 122.1° | 123.8° |
C3' | C4' | O4' | C1' | 30.9° | 16.3° |
H4'1 | C4' | O4' | C1' | 88.6° | 138.0° |
H4'1 | C4' | C3' | H3' | 36.9° | 34.9° |
H4'2 | C4' | O4' | C1' | 150.5° | 104.6° |
H4'2 | C4' | C3' | H3' | 84.0° | 156.3° |