ABS
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 | O5' | sing | 1.61Å | 1.61Å | |
P | OP3 | sing | 1.61Å | 1.61Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
C5' | C4' | sing | 1.53Å | 1.53Å | |
C5' | H5' | sing | 1.09Å | 1.09Å | |
C5' | H5'' | sing | 1.09Å | 1.09Å | |
C4' | O4' | sing | 1.45Å | 1.45Å | |
C4' | C3' | sing | 1.54Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.09Å | |
O4' | C1' | sing | 1.44Å | 1.44Å | |
C1' | N9 | sing | 1.46Å | 1.48Å | |
C1' | C2' | sing | 1.54Å | 1.51Å | |
C1' | H1' | sing | 1.09Å | 1.09Å | |
N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
C4 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
N3 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
C2 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.09Å | |
N1 | C6 | sing | 1.33Å | 1.37Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.37Å | |
C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
N6 | CB | sing | 1.46Å | 1.50Å | |
N6 | H6 | sing | 0.97Å | 1.01Å | |
CA | OA | sing | 1.43Å | 1.42Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | CS6 | sing | 1.51Å | 1.51Å | |
CA | HA | sing | 1.09Å | 1.08Å | |
OA | HOA | sing | 0.97Å | 0.96Å | |
CB | HB1 | sing | 1.09Å | 1.08Å | |
CB | HB2 | sing | 1.09Å | 1.07Å | |
CS6 | CS1 | doub | 1.38Å | 1.40Å | Aromatic |
CS6 | CS5 | sing | 1.38Å | 1.40Å | Aromatic |
CS1 | CS2 | sing | 1.38Å | 1.40Å | Aromatic |
CS1 | HS1 | sing | 1.08Å | 1.08Å | |
CS5 | CS4 | doub | 1.38Å | 1.40Å | Aromatic |
CS5 | HS5 | sing | 1.08Å | 1.08Å | |
CS2 | CS3 | doub | 1.38Å | 1.40Å | Aromatic |
CS2 | HS2 | sing | 1.08Å | 1.08Å | |
CS4 | CS3 | sing | 1.38Å | 1.40Å | Aromatic |
CS4 | HS4 | sing | 1.08Å | 1.08Å | |
CS3 | HS3 | sing | 1.08Å | 1.08Å | |
C5 | N7 | sing | 1.35Å | 1.40Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.29Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.09Å | |
C2' | C3' | sing | 1.54Å | 1.50Å | |
C2' | H2' | sing | 1.09Å | 1.09Å | |
C2' | H2'' | sing | 1.09Å | 1.09Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | H3' | sing | 1.09Å | 1.09Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP1 | P | OP2 | 119.9° | 109.5° |
OP1 | P | O5' | 108.4° | 109.5° |
OP1 | P | OP3 | 108.8° | 109.5° |
OP2 | P | O5' | 108.1° | 109.5° |
OP2 | P | OP3 | 108.2° | 109.4° |
P | OP2 | HOP2 | 119.8° | 106.8° |
O5' | P | OP3 | 102.0° | 109.5° |
P | O5' | C5' | 120.3° | 106.8° |
P | OP3 | HOP3 | 108.8° | 106.9° |
O5' | C5' | C4' | 111.6° | 109.5° |
O5' | C5' | H5' | 109.1° | 109.5° |
O5' | C5' | H5'' | 109.1° | 109.5° |
C4' | C5' | H5' | 108.9° | 109.5° |
C4' | C5' | H5'' | 109.0° | 109.4° |
C5' | C4' | O4' | 110.8° | 110.4° |
C5' | C4' | C3' | 110.6° | 110.7° |
C5' | C4' | H4' | 109.5° | 110.3° |
H5' | C5' | H5'' | 109.0° | 109.5° |
O4' | C4' | C3' | 107.2° | 104.7° |
O4' | C4' | H4' | 109.4° | 110.4° |
C4' | O4' | C1' | 109.1° | 105.4° |
C3' | C4' | H4' | 109.3° | 110.2° |
C4' | C3' | C2' | 103.4° | 104.2° |
C4' | C3' | O3' | 110.3° | 110.5° |
C4' | C3' | H3' | 109.9° | 110.5° |
O4' | C1' | N9 | 110.0° | 110.5° |
O4' | C1' | C2' | 105.8° | 104.8° |
O4' | C1' | H1' | 109.9° | 110.4° |
N9 | C1' | C2' | 112.0° | 110.4° |
N9 | C1' | H1' | 109.7° | 110.3° |
C1' | N9 | C4 | 126.8° | 126.2° |
C1' | N9 | C8 | 129.6° | 126.3° |
C2' | C1' | H1' | 109.4° | 110.4° |
C1' | C2' | C3' | 104.1° | 104.1° |
C1' | C2' | H2' | 110.5° | 110.5° |
C1' | C2' | H2'' | 110.7° | 110.5° |
C4 | N9 | C8 | 103.6° | 107.5° |
N9 | C4 | N3 | 126.0° | 135.0° |
N9 | C4 | C5 | 106.5° | 106.0° |
N9 | C8 | N7 | 117.7° | 110.0° |
N9 | C8 | H8 | 121.0° | 125.0° |
N3 | C4 | C5 | 127.5° | 119.0° |
C4 | N3 | C2 | 111.6° | 120.7° |
C4 | C5 | C6 | 116.5° | 118.2° |
C4 | C5 | N7 | 110.5° | 107.1° |
N3 | C2 | N1 | 127.1° | 122.4° |
N3 | C2 | H2 | 116.4° | 118.8° |
N1 | C2 | H2 | 116.5° | 118.8° |
C2 | N1 | C6 | 120.8° | 121.2° |
N1 | C6 | N6 | 119.8° | 120.7° |
N1 | C6 | C5 | 116.4° | 118.5° |
N6 | C6 | C5 | 123.8° | 120.8° |
C6 | N6 | CB | 121.9° | 120.1° |
C6 | N6 | H6 | 119.0° | 120.0° |
C6 | C5 | N7 | 132.9° | 134.7° |
CB | N6 | H6 | 119.1° | 120.0° |
N6 | CB | CA | 109.1° | 109.5° |
N6 | CB | HB1 | 110.5° | 109.6° |
N6 | CB | HB2 | 109.5° | 109.4° |
OA | CA | CB | 108.8° | 109.4° |
OA | CA | CS6 | 108.7° | 109.5° |
OA | CA | HA | 109.7° | 109.4° |
CA | OA | HOA | 107.8° | 106.8° |
CB | CA | CS6 | 110.5° | 109.5° |
CB | CA | HA | 109.6° | 109.5° |
CA | CB | HB1 | 109.7° | 109.5° |
CA | CB | HB2 | 108.5° | 109.5° |
CS6 | CA | HA | 109.5° | 109.5° |
CA | CS6 | CS1 | 120.9° | 120.0° |
CA | CS6 | CS5 | 119.1° | 120.0° |
HB1 | CB | HB2 | 109.4° | 109.4° |
CS1 | CS6 | CS5 | 120.0° | 120.0° |
CS6 | CS1 | CS2 | 119.9° | 120.0° |
CS6 | CS1 | HS1 | 120.1° | 120.0° |
CS6 | CS5 | CS4 | 120.2° | 120.0° |
CS6 | CS5 | HS5 | 119.9° | 120.0° |
CS2 | CS1 | HS1 | 120.0° | 120.0° |
CS1 | CS2 | CS3 | 120.0° | 120.0° |
CS1 | CS2 | HS2 | 119.9° | 120.0° |
CS4 | CS5 | HS5 | 120.0° | 120.0° |
CS5 | CS4 | CS3 | 120.0° | 120.0° |
CS5 | CS4 | HS4 | 119.8° | 120.0° |
CS3 | CS2 | HS2 | 120.1° | 120.0° |
CS2 | CS3 | CS4 | 120.0° | 120.0° |
CS2 | CS3 | HS3 | 120.0° | 120.0° |
CS3 | CS4 | HS4 | 120.2° | 120.0° |
CS4 | CS3 | HS3 | 120.0° | 120.0° |
C5 | N7 | C8 | 101.7° | 109.5° |
N7 | C8 | H8 | 121.3° | 125.0° |
C3' | C2' | H2' | 110.1° | 110.6° |
C3' | C2' | H2'' | 110.7° | 110.5° |
C2' | C3' | O3' | 111.9° | 110.6° |
C2' | C3' | H3' | 110.6° | 110.5° |
H2' | C2' | H2'' | 110.5° | 110.6° |
O3' | C3' | H3' | 110.6° | 110.5° |
C3' | O3' | HO3' | 110.2° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P | OP2 | O5' | 124.8° | 120.0° |
OP1 | P | OP2 | OP3 | 125.4° | 120.0° |
OP1 | P | O5' | OP3 | 114.6° | 120.1° |
OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
OP1 | P | O5' | C5' | 172.6° | 60.0° |
OP1 | P | OP3 | HOP3 | 179.9° | 180.0° |
OP2 | P | O5' | OP3 | 113.9° | 119.9° |
OP2 | P | O5' | C5' | 56.0° | 180.0° |
OP2 | P | OP3 | HOP3 | 48.3° | 60.1° |
O5' | P | OP2 | HOP2 | 55.2° | 180.0° |
P | O5' | C5' | C4' | 174.7° | 179.9° |
P | O5' | C5' | H5' | 64.9° | 60.0° |
P | O5' | C5' | H5'' | 54.2° | 60.0° |
O5' | P | OP3 | HOP3 | 65.6° | 59.9° |
OP3 | P | OP2 | HOP2 | 54.6° | 60.0° |
OP3 | P | O5' | C5' | 57.9° | 60.1° |
O5' | C5' | C4' | H5' | 120.6° | 120.0° |
O5' | C5' | C4' | H5'' | 120.6° | 120.0° |
O5' | C5' | H5' | H5'' | 119.1° | 120.0° |
O5' | C5' | C4' | O4' | 59.8° | 61.4° |
O5' | C5' | C4' | C3' | 58.9° | 176.9° |
O5' | C5' | C4' | H4' | 179.4° | 60.8° |
C4' | C5' | H5' | H5'' | 118.8° | 120.0° |
C5' | C4' | O4' | C3' | 120.7° | 119.2° |
C5' | C4' | O4' | H4' | 120.9° | 122.2° |
C5' | C4' | C3' | H4' | 120.6° | 122.3° |
C5' | C4' | O4' | C1' | 117.2° | 159.5° |
C5' | C4' | C3' | C2' | 98.7° | 142.7° |
C5' | C4' | C3' | O3' | 141.5° | 98.5° |
C5' | C4' | C3' | H3' | 19.3° | 24.1° |
H5' | C5' | C4' | O4' | 60.7° | 178.5° |
H5' | C5' | C4' | C3' | 179.4° | 63.1° |
H5' | C5' | C4' | H4' | 60.1° | 59.2° |
H5'' | C5' | C4' | O4' | 179.6° | 58.6° |
H5'' | C5' | C4' | C3' | 61.7° | 56.9° |
H5'' | C5' | C4' | H4' | 58.8° | 179.1° |
O4' | C4' | C3' | H4' | 118.5° | 118.8° |
C4' | O4' | C1' | N9 | 137.8° | 159.3° |
C4' | O4' | C1' | C2' | 16.6° | 40.5° |
C4' | O4' | C1' | H1' | 101.4° | 78.4° |
O4' | C4' | C3' | C2' | 22.2° | 23.8° |
O4' | C4' | C3' | O3' | 97.6° | 142.6° |
O4' | C4' | C3' | H3' | 140.2° | 94.9° |
C3' | C4' | O4' | C1' | 3.5° | 40.3° |
C4' | C3' | C2' | C1' | 31.5° | 0.1° |
C4' | C3' | C2' | O3' | 118.6° | 118.8° |
C4' | C3' | C2' | H3' | 117.6° | 118.7° |
C4' | C3' | C2' | H2' | 86.9° | 118.5° |
C4' | C3' | C2' | H2'' | 150.6° | 118.7° |
C4' | C3' | O3' | H3' | 121.8° | 122.6° |
C4' | C3' | O3' | HO3' | 180.0° | 178.1° |
H4' | C4' | O4' | C1' | 121.9° | 78.3° |
H4' | C4' | C3' | C2' | 140.7° | 95.0° |
H4' | C4' | C3' | O3' | 20.9° | 23.8° |
H4' | C4' | C3' | H3' | 101.3° | 146.3° |
O4' | C1' | N9 | C2' | 117.4° | 115.4° |
O4' | C1' | N9 | H1' | 121.0° | 122.3° |
O4' | C1' | C2' | H1' | 118.3° | 118.8° |
O4' | C1' | N9 | C4 | 113.8° | 154.8° |
O4' | C1' | N9 | C8 | 64.4° | 25.4° |
O4' | C1' | C2' | C3' | 30.3° | 24.0° |
O4' | C1' | C2' | H2' | 87.9° | 94.7° |
O4' | C1' | C2' | H2'' | 149.3° | 142.6° |
N9 | C1' | C2' | H1' | 121.8° | 122.2° |
C1' | N9 | C4 | C8 | 178.6° | 179.8° |
C1' | N9 | C4 | N3 | 1.3° | 0.7° |
C1' | N9 | C4 | C5 | 178.7° | 179.9° |
C1' | N9 | C8 | N7 | 178.6° | 180.0° |
C1' | N9 | C8 | H8 | 1.0° | 0.0° |
N9 | C1' | C2' | C3' | 150.1° | 142.9° |
N9 | C1' | C2' | H2' | 31.9° | 24.2° |
N9 | C1' | C2' | H2'' | 90.9° | 98.5° |
C2' | C1' | N9 | C4 | 128.8° | 89.8° |
C2' | C1' | N9 | C8 | 52.9° | 90.0° |
C1' | C2' | C3' | H2' | 118.4° | 118.7° |
C1' | C2' | C3' | H2'' | 119.0° | 118.6° |
C1' | C2' | H2' | H2'' | 122.9° | 122.6° |
C1' | C2' | C3' | O3' | 87.1° | 118.6° |
C1' | C2' | C3' | H3' | 149.1° | 118.8° |
H1' | C1' | N9 | C4 | 7.2° | 32.5° |
H1' | C1' | N9 | C8 | 174.5° | 147.7° |
H1' | C1' | C2' | C3' | 88.1° | 94.8° |
H1' | C1' | C2' | H2' | 153.7° | 146.5° |
H1' | C1' | C2' | H2'' | 30.9° | 23.8° |
N9 | C4 | N3 | C5 | 180.0° | 179.1° |
N9 | C4 | N3 | C2 | 180.0° | 179.6° |
N9 | C4 | C5 | C6 | 180.0° | 179.8° |
N9 | C4 | C5 | N7 | 0.0° | 0.3° |
C4 | N9 | C8 | N7 | 0.0° | 0.2° |
C4 | N9 | C8 | H8 | 179.6° | 179.8° |
C8 | N9 | C4 | N3 | 179.9° | 179.5° |
C8 | N9 | C4 | C5 | 0.0° | 0.3° |
N9 | C8 | N7 | C5 | 0.0° | 0.0° |
N9 | C8 | N7 | H8 | 179.6° | 180.0° |
C4 | N3 | C2 | N1 | 0.0° | 0.3° |
C4 | N3 | C2 | H2 | 179.8° | 179.7° |
N3 | C4 | C5 | C6 | 0.1° | 0.5° |
N3 | C4 | C5 | N7 | 179.9° | 179.6° |
C5 | C4 | N3 | C2 | 0.1° | 0.5° |
C4 | C5 | C6 | N1 | 0.0° | 0.2° |
C4 | C5 | C6 | N6 | 179.6° | 179.7° |
C4 | C5 | C6 | N7 | 180.0° | 179.8° |
C4 | C5 | N7 | C8 | 0.0° | 0.2° |
N3 | C2 | N1 | H2 | 179.8° | 180.0° |
N3 | C2 | N1 | C6 | 0.0° | 0.0° |
C2 | N1 | C6 | N6 | 179.6° | 180.0° |
C2 | N1 | C6 | C5 | 0.0° | 0.0° |
H2 | C2 | N1 | C6 | 179.8° | 180.0° |
N1 | C6 | N6 | C5 | 179.6° | 180.0° |
N1 | C6 | N6 | CB | 179.1° | 0.0° |
N1 | C6 | N6 | H6 | 0.5° | 180.0° |
N1 | C6 | C5 | N7 | 180.0° | 179.9° |
C6 | N6 | CB | H6 | 179.6° | 179.9° |
C6 | N6 | CB | CA | 128.5° | 180.0° |
C6 | N6 | CB | HB1 | 7.8° | 59.9° |
C6 | N6 | CB | HB2 | 112.8° | 60.0° |
N6 | C6 | C5 | N7 | 0.4° | 0.1° |
C5 | C6 | N6 | CB | 0.5° | 179.9° |
C5 | C6 | N6 | H6 | 179.9° | 0.0° |
C6 | C5 | N7 | C8 | 180.0° | 180.0° |
N6 | CB | CA | OA | 48.7° | 60.0° |
N6 | CB | CA | HB1 | 121.2° | 120.1° |
N6 | CB | CA | HB2 | 119.3° | 119.9° |
N6 | CB | CA | CS6 | 167.9° | 179.9° |
N6 | CB | CA | HA | 71.3° | 59.9° |
N6 | CB | HB1 | HB2 | 120.6° | 119.9° |
H6 | N6 | CB | CA | 51.1° | 0.1° |
H6 | N6 | CB | HB1 | 171.8° | 120.0° |
H6 | N6 | CB | HB2 | 67.6° | 120.0° |
OA | CA | CB | CS6 | 119.3° | 120.0° |
OA | CA | CB | HA | 119.9° | 119.9° |
OA | CA | CS6 | HA | 119.8° | 119.9° |
OA | CA | CB | HB1 | 169.8° | 60.1° |
OA | CA | CB | HB2 | 70.6° | 179.9° |
OA | CA | CS6 | CS1 | 154.0° | 149.9° |
OA | CA | CS6 | CS5 | 26.0° | 29.7° |
CB | CA | CS6 | HA | 120.9° | 120.1° |
CB | CA | OA | HOA | 141.2° | 60.0° |
CA | CB | HB1 | HB2 | 119.0° | 120.0° |
CB | CA | CS6 | CS1 | 34.7° | 90.1° |
CB | CA | CS6 | CS5 | 145.3° | 90.2° |
CS6 | CA | OA | HOA | 98.4° | 60.0° |
CS6 | CA | CB | HB1 | 70.9° | 59.9° |
CS6 | CA | CB | HB2 | 48.7° | 60.1° |
CA | CS6 | CS1 | CS5 | 180.0° | 179.7° |
CA | CS6 | CS1 | CS2 | 180.0° | 180.0° |
CA | CS6 | CS1 | HS1 | 0.0° | 0.1° |
CA | CS6 | CS5 | CS4 | 179.9° | 179.8° |
CA | CS6 | CS5 | HS5 | 0.1° | 0.2° |
HA | CA | OA | HOA | 21.3° | 180.0° |
HA | CA | CB | HB1 | 49.9° | 180.0° |
HA | CA | CB | HB2 | 169.4° | 60.0° |
HA | CA | CS6 | CS1 | 86.2° | 30.0° |
HA | CA | CS6 | CS5 | 93.8° | 149.7° |
CS6 | CS1 | CS2 | HS1 | 179.9° | 180.0° |
CS1 | CS6 | CS5 | CS4 | 0.1° | 0.5° |
CS1 | CS6 | CS5 | HS5 | 179.9° | 179.9° |
CS6 | CS1 | CS2 | CS3 | 0.0° | 0.0° |
CS6 | CS1 | CS2 | HS2 | 179.9° | 179.9° |
CS5 | CS6 | CS1 | CS2 | 0.0° | 0.3° |
CS5 | CS6 | CS1 | HS1 | 179.9° | 179.7° |
CS6 | CS5 | CS4 | HS5 | 179.8° | 179.6° |
CS6 | CS5 | CS4 | CS3 | 0.1° | 0.5° |
CS6 | CS5 | CS4 | HS4 | 180.0° | 179.8° |
CS1 | CS2 | CS3 | HS2 | 179.9° | 179.9° |
CS1 | CS2 | CS3 | CS4 | 0.0° | 0.0° |
CS1 | CS2 | CS3 | HS3 | 180.0° | 180.0° |
HS1 | CS1 | CS2 | CS3 | 179.9° | 180.0° |
HS1 | CS1 | CS2 | HS2 | 0.0° | 0.1° |
CS5 | CS4 | CS3 | CS2 | 0.1° | 0.2° |
CS5 | CS4 | CS3 | HS4 | 179.9° | 179.7° |
CS5 | CS4 | CS3 | HS3 | 179.9° | 179.8° |
HS5 | CS5 | CS4 | CS3 | 180.0° | 179.9° |
HS5 | CS5 | CS4 | HS4 | 0.2° | 0.2° |
CS2 | CS3 | CS4 | HS3 | 179.9° | 180.0° |
CS2 | CS3 | CS4 | HS4 | 180.0° | 179.9° |
HS2 | CS2 | CS3 | CS4 | 179.9° | 179.9° |
HS2 | CS2 | CS3 | HS3 | 0.1° | 0.1° |
HS4 | CS4 | CS3 | HS3 | 0.0° | 0.1° |
C5 | N7 | C8 | H8 | 179.6° | 180.0° |
C3' | C2' | H2' | H2'' | 122.7° | 122.7° |
C2' | C3' | O3' | H3' | 123.8° | 122.6° |
C2' | C3' | O3' | HO3' | 65.5° | 63.3° |
H2' | C2' | C3' | O3' | 154.5° | 122.7° |
H2' | C2' | C3' | H3' | 30.7° | 0.1° |
H2'' | C2' | C3' | O3' | 31.9° | 0.0° |
H2'' | C2' | C3' | H3' | 91.9° | 122.6° |
H3' | C3' | O3' | HO3' | 58.3° | 59.4° |