12A
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OP3 | P | sing | 1.61Å | 1.59Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
P | OP1 | doub | 1.48Å | 1.49Å | |
P | OP2 | sing | 1.61Å | 1.48Å | |
P | O5' | sing | 1.61Å | 1.59Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.40Å | |
C5' | C4' | sing | 1.53Å | 1.50Å | |
C5' | H5' | sing | 1.09Å | 1.11Å | |
C5' | H5'' | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.44Å | 1.44Å | |
C4' | C3' | sing | 1.54Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
O4' | C1' | sing | 1.44Å | 1.40Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.41Å | |
C2' | C1' | sing | 1.54Å | 1.53Å | |
C2' | H2' | sing | 1.09Å | 1.11Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.47Å | 1.45Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.36Å | 1.38Å | Aromatic |
C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
C6 | N6 | sing | 1.39Å | 1.31Å | |
C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
N6 | CC | sing | 1.35Å | 1.32Å | |
N6 | HN6 | sing | 0.97Å | 1.02Å | |
N1 | C2 | sing | 1.33Å | 1.33Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
C2 | S2 | sing | 1.76Å | 1.34Å | |
N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
S2 | C2M | sing | 1.81Å | 1.82Å | |
C2M | H2M1 | sing | 1.09Å | 1.11Å | |
C2M | H2M2 | sing | 1.09Å | 1.12Å | |
C2M | H2M3 | sing | 1.09Å | 1.12Å | |
CC | OO | doub | 1.22Å | 1.23Å | |
CC | N | sing | 1.35Å | 1.32Å | |
N | CA | sing | 1.46Å | 1.46Å | |
N | H | sing | 0.97Å | 1.02Å | |
CA | C | sing | 1.51Å | 1.54Å | |
CA | CB | sing | 1.53Å | 1.56Å | |
CA | HA | sing | 1.09Å | 1.12Å | |
C | O | doub | 1.21Å | 1.26Å | |
C | OXT | sing | 1.34Å | 1.26Å | |
OXT | HXT | sing | 0.97Å | 0.95Å | |
CB | OG1 | sing | 1.43Å | 1.43Å | |
CB | CG2 | sing | 1.53Å | 1.54Å | |
CB | HB | sing | 1.09Å | 1.11Å | |
OG1 | HG1 | sing | 0.97Å | 0.95Å | |
CG2 | HG21 | sing | 1.09Å | 1.11Å | |
CG2 | HG22 | sing | 1.09Å | 1.12Å | |
CG2 | HG23 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P | OP3 | HOP3 | 108.5° | 106.8° |
OP3 | P | OP1 | 108.5° | 109.4° |
OP3 | P | OP2 | 108.3° | 109.4° |
OP3 | P | O5' | 102.6° | 109.5° |
OP1 | P | OP2 | 120.0° | 109.5° |
OP1 | P | O5' | 107.5° | 109.5° |
OP2 | P | O5' | 108.4° | 109.5° |
P | OP2 | HOP2 | 108.3° | 106.8° |
P | O5' | C5' | 120.1° | 106.8° |
O5' | C5' | C4' | 110.3° | 109.5° |
O5' | C5' | H5' | 111.9° | 109.5° |
O5' | C5' | H5'' | 111.9° | 109.4° |
C4' | C5' | H5' | 111.9° | 109.6° |
C4' | C5' | H5'' | 111.9° | 109.4° |
C5' | C4' | O4' | 109.8° | 110.4° |
C5' | C4' | C3' | 112.2° | 110.4° |
C5' | C4' | H4' | 106.5° | 110.3° |
H5' | C5' | H5'' | 98.5° | 109.4° |
O4' | C4' | C3' | 106.5° | 104.8° |
O4' | C4' | H4' | 112.2° | 110.5° |
C4' | O4' | C1' | 109.3° | 105.3° |
C3' | C4' | H4' | 109.8° | 110.3° |
C4' | C3' | O3' | 106.7° | 110.5° |
C4' | C3' | C2' | 102.7° | 104.1° |
C4' | C3' | H3' | 116.5° | 110.5° |
O4' | C1' | C2' | 106.5° | 104.9° |
O4' | C1' | N9 | 105.4° | 110.4° |
O4' | C1' | H1' | 114.6° | 110.4° |
O3' | C3' | C2' | 112.5° | 110.5° |
O3' | C3' | H3' | 107.4° | 110.5° |
C3' | O3' | HO3' | 106.7° | 106.8° |
C2' | C3' | H3' | 111.1° | 110.6° |
C3' | C2' | O2' | 113.3° | 110.5° |
C3' | C2' | C1' | 100.7° | 104.0° |
C3' | C2' | H2' | 112.9° | 110.5° |
O2' | C2' | C1' | 109.6° | 110.8° |
O2' | C2' | H2' | 104.4° | 110.4° |
C2' | O2' | HO2' | 113.3° | 106.8° |
C1' | C2' | H2' | 116.3° | 110.4° |
C2' | C1' | N9 | 111.6° | 110.4° |
C2' | C1' | H1' | 108.8° | 110.4° |
N9 | C1' | H1' | 109.9° | 110.3° |
C1' | N9 | C8 | 125.8° | 126.3° |
C1' | N9 | C4 | 128.1° | 126.3° |
C8 | N9 | C4 | 106.1° | 107.4° |
N9 | C8 | N7 | 113.8° | 110.0° |
N9 | C8 | H8 | 125.0° | 125.0° |
N9 | C4 | C5 | 105.6° | 106.0° |
N9 | C4 | N3 | 127.4° | 134.8° |
N7 | C8 | H8 | 121.2° | 125.0° |
C8 | N7 | C5 | 103.7° | 109.4° |
N7 | C5 | C6 | 132.0° | 134.5° |
N7 | C5 | C4 | 110.8° | 107.1° |
C6 | C5 | C4 | 117.2° | 118.3° |
C5 | C6 | N6 | 123.8° | 120.8° |
C5 | C6 | N1 | 117.9° | 118.6° |
C5 | C4 | N3 | 127.0° | 119.2° |
N6 | C6 | N1 | 118.3° | 120.7° |
C6 | N6 | CC | 117.7° | 120.1° |
C6 | N6 | HN6 | 109.2° | 120.0° |
C6 | N1 | C2 | 118.7° | 121.2° |
CC | N6 | HN6 | 109.3° | 120.0° |
N6 | CC | OO | 120.4° | 120.0° |
N6 | CC | N | 118.2° | 120.0° |
N1 | C2 | N3 | 129.1° | 122.2° |
N1 | C2 | S2 | 117.8° | 118.9° |
N3 | C2 | S2 | 113.1° | 118.8° |
C2 | N3 | C4 | 110.2° | 120.5° |
C2 | S2 | C2M | 102.4° | 100.0° |
S2 | C2M | H2M1 | 102.4° | 109.5° |
S2 | C2M | H2M2 | 114.8° | 109.5° |
S2 | C2M | H2M3 | 114.8° | 109.5° |
H2M1 | C2M | H2M2 | 114.9° | 109.4° |
H2M1 | C2M | H2M3 | 115.0° | 109.5° |
H2M2 | C2M | H2M3 | 95.6° | 109.5° |
OO | CC | N | 121.5° | 120.0° |
CC | N | CA | 120.6° | 120.0° |
CC | N | H | 114.8° | 120.0° |
CA | N | H | 124.6° | 120.0° |
N | CA | C | 112.1° | 109.5° |
N | CA | CB | 110.4° | 109.5° |
N | CA | HA | 107.6° | 109.5° |
C | CA | CB | 111.1° | 109.4° |
C | CA | HA | 106.8° | 109.5° |
CA | C | O | 117.1° | 120.0° |
CA | C | OXT | 119.4° | 120.0° |
CB | CA | HA | 108.7° | 109.5° |
CA | CB | OG1 | 109.7° | 109.5° |
CA | CB | CG2 | 111.0° | 109.4° |
CA | CB | HB | 108.8° | 109.5° |
O | C | OXT | 123.5° | 120.0° |
C | OXT | HXT | 119.3° | 120.0° |
OG1 | CB | CG2 | 110.9° | 109.4° |
OG1 | CB | HB | 108.8° | 109.5° |
CB | OG1 | HG1 | 109.7° | 106.8° |
CG2 | CB | HB | 107.5° | 109.4° |
CB | CG2 | HG21 | 111.0° | 109.4° |
CB | CG2 | HG22 | 111.6° | 109.4° |
CB | CG2 | HG23 | 111.6° | 109.5° |
HG21 | CG2 | HG22 | 111.7° | 109.5° |
HG21 | CG2 | HG23 | 111.7° | 109.5° |
HG22 | CG2 | HG23 | 98.7° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP3 | P | OP1 | OP2 | 125.2° | 120.0° |
OP3 | P | OP1 | O5' | 110.3° | 120.0° |
OP3 | P | OP2 | O5' | 110.7° | 120.0° |
OP3 | P | OP2 | HOP2 | 180.0° | 60.0° |
OP3 | P | O5' | C5' | 159.3° | 180.0° |
HOP3 | OP3 | P | OP1 | 180.0° | 60.0° |
HOP3 | OP3 | P | OP2 | 48.2° | 60.0° |
HOP3 | OP3 | P | O5' | 66.4° | 180.0° |
OP1 | P | OP2 | O5' | 124.0° | 120.0° |
OP1 | P | OP2 | HOP2 | 54.7° | 180.0° |
OP1 | P | O5' | C5' | 45.0° | 60.0° |
OP2 | P | O5' | C5' | 86.2° | 60.0° |
O5' | P | OP2 | HOP2 | 69.3° | 60.0° |
P | O5' | C5' | C4' | 166.1° | 179.9° |
P | O5' | C5' | H5' | 68.6° | 59.9° |
P | O5' | C5' | H5'' | 40.8° | 60.0° |
O5' | C5' | C4' | H5' | 125.2° | 120.1° |
O5' | C5' | C4' | H5'' | 125.2° | 119.9° |
O5' | C5' | H5' | H5'' | 117.8° | 120.0° |
O5' | C5' | C4' | O4' | 62.4° | 61.4° |
O5' | C5' | C4' | C3' | 179.5° | 176.9° |
O5' | C5' | C4' | H4' | 59.3° | 60.9° |
C4' | C5' | H5' | H5'' | 117.9° | 119.9° |
C5' | C4' | O4' | C3' | 121.6° | 118.9° |
C5' | C4' | O4' | H4' | 118.2° | 122.2° |
C5' | C4' | C3' | H4' | 118.2° | 122.2° |
C5' | C4' | O4' | C1' | 124.8° | 159.5° |
C5' | C4' | C3' | O3' | 96.1° | 98.3° |
C5' | C4' | C3' | C2' | 145.4° | 143.0° |
C5' | C4' | C3' | H3' | 23.7° | 24.3° |
H5' | C5' | C4' | O4' | 62.8° | 178.5° |
H5' | C5' | C4' | C3' | 55.3° | 63.0° |
H5' | C5' | C4' | H4' | 175.5° | 59.2° |
H5'' | C5' | C4' | O4' | 172.4° | 58.5° |
H5'' | C5' | C4' | C3' | 54.2° | 57.0° |
H5'' | C5' | C4' | H4' | 66.0° | 179.1° |
O4' | C4' | C3' | H4' | 121.7° | 118.9° |
O4' | C4' | C3' | O3' | 143.8° | 142.7° |
O4' | C4' | C3' | C2' | 25.3° | 24.1° |
O4' | C4' | C3' | H3' | 96.4° | 94.6° |
C4' | O4' | C1' | C2' | 20.5° | 40.5° |
C4' | O4' | C1' | N9 | 98.1° | 159.4° |
C4' | O4' | C1' | H1' | 140.9° | 78.4° |
C3' | C4' | O4' | C1' | 3.2° | 40.5° |
C4' | C3' | O3' | C2' | 111.8° | 114.6° |
C4' | C3' | O3' | H3' | 125.6° | 122.6° |
C4' | C3' | C2' | H3' | 125.2° | 118.7° |
C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
C4' | C3' | C2' | O2' | 81.2° | 118.8° |
C4' | C3' | C2' | C1' | 35.8° | 0.1° |
C4' | C3' | C2' | H2' | 160.4° | 118.7° |
H4' | C4' | O4' | C1' | 117.0° | 78.3° |
H4' | C4' | C3' | O3' | 22.1° | 23.8° |
H4' | C4' | C3' | C2' | 96.4° | 94.8° |
H4' | C4' | C3' | H3' | 142.0° | 146.5° |
O4' | C1' | C2' | C3' | 35.4° | 23.9° |
O4' | C1' | C2' | O2' | 84.2° | 142.6° |
O4' | C1' | C2' | N9 | 114.5° | 118.9° |
O4' | C1' | C2' | H1' | 124.0° | 118.9° |
O4' | C1' | C2' | H2' | 157.7° | 94.8° |
O4' | C1' | N9 | H1' | 124.0° | 122.3° |
O4' | C1' | N9 | C8 | 2.3° | 27.1° |
O4' | C1' | N9 | C4 | 177.7° | 153.0° |
O3' | C3' | C2' | H3' | 120.4° | 122.7° |
O3' | C3' | C2' | O2' | 33.1° | 0.1° |
O3' | C3' | C2' | C1' | 150.1° | 118.8° |
O3' | C3' | C2' | H2' | 85.3° | 122.6° |
C2' | C3' | O3' | HO3' | 68.1° | 65.4° |
C3' | C2' | O2' | C1' | 111.6° | 114.7° |
C3' | C2' | O2' | H2' | 123.2° | 122.6° |
C3' | C2' | C1' | H2' | 122.3° | 118.6° |
C3' | C2' | O2' | HO2' | 179.9° | 61.4° |
C3' | C2' | C1' | N9 | 79.1° | 142.8° |
C3' | C2' | C1' | H1' | 159.4° | 95.1° |
H3' | C3' | O3' | HO3' | 54.4° | 57.3° |
H3' | C3' | C2' | O2' | 153.6° | 122.6° |
H3' | C3' | C2' | C1' | 89.5° | 118.5° |
H3' | C3' | C2' | H2' | 35.2° | 0.0° |
O2' | C2' | C1' | H2' | 118.1° | 122.6° |
O2' | C2' | C1' | N9 | 161.2° | 98.5° |
O2' | C2' | C1' | H1' | 39.8° | 23.7° |
C1' | C2' | O2' | HO2' | 68.3° | 176.2° |
C2' | C1' | N9 | H1' | 120.8° | 122.2° |
C2' | C1' | N9 | C8 | 113.0° | 88.4° |
C2' | C1' | N9 | C4 | 67.1° | 91.5° |
H2' | C2' | O2' | HO2' | 56.9° | 61.2° |
H2' | C2' | C1' | N9 | 43.1° | 24.1° |
H2' | C2' | C1' | H1' | 78.3° | 146.3° |
C1' | N9 | C8 | C4 | 180.0° | 180.0° |
C1' | N9 | C8 | N7 | 179.7° | 180.0° |
C1' | N9 | C8 | H8 | 0.3° | 0.0° |
C1' | N9 | C4 | C5 | 179.6° | 180.0° |
C1' | N9 | C4 | N3 | 0.1° | 0.4° |
H1' | C1' | N9 | C8 | 126.3° | 149.3° |
H1' | C1' | N9 | C4 | 53.7° | 30.7° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.1° | 0.1° |
C8 | N9 | C4 | C5 | 0.3° | 0.1° |
C8 | N9 | C4 | N3 | 179.9° | 179.7° |
C4 | N9 | C8 | N7 | 0.2° | 0.1° |
C4 | N9 | C8 | H8 | 179.8° | 180.0° |
N9 | C4 | C5 | N7 | 0.3° | 0.0° |
N9 | C4 | C5 | C6 | 179.6° | 180.0° |
N9 | C4 | C5 | N3 | 179.8° | 179.7° |
N9 | C4 | N3 | C2 | 179.5° | 179.9° |
C8 | N7 | C5 | C6 | 179.7° | 179.9° |
C8 | N7 | C5 | C4 | 0.2° | 0.0° |
H8 | C8 | N7 | C5 | 180.0° | 180.0° |
N7 | C5 | C6 | C4 | 179.9° | 180.0° |
N7 | C5 | C6 | N6 | 1.7° | 0.1° |
N7 | C5 | C6 | N1 | 179.5° | 180.0° |
N7 | C5 | C4 | N3 | 179.9° | 179.7° |
C5 | C6 | N6 | N1 | 178.8° | 179.9° |
C5 | C6 | N6 | CC | 143.6° | 180.0° |
C5 | C6 | N6 | HN6 | 91.2° | 0.1° |
C5 | C6 | N1 | C2 | 1.2° | 0.0° |
C6 | C5 | C4 | N3 | 0.2° | 0.3° |
C4 | C5 | C6 | N6 | 178.2° | 179.9° |
C4 | C5 | C6 | N1 | 0.6° | 0.1° |
C5 | C4 | N3 | C2 | 0.2° | 0.6° |
C6 | N6 | CC | HN6 | 125.3° | 179.9° |
N6 | C6 | N1 | C2 | 177.7° | 179.9° |
C6 | N6 | CC | OO | 0.4° | 0.1° |
C6 | N6 | CC | N | 179.7° | 180.0° |
N1 | C6 | N6 | CC | 35.2° | 0.1° |
N1 | C6 | N6 | HN6 | 90.0° | 180.0° |
C6 | N1 | C2 | N3 | 1.3° | 0.3° |
C6 | N1 | C2 | S2 | 178.2° | 180.0° |
N6 | CC | OO | N | 179.9° | 179.9° |
N6 | CC | N | CA | 180.0° | 180.0° |
N6 | CC | N | H | 0.0° | 0.1° |
HN6 | N6 | CC | OO | 124.9° | 180.0° |
HN6 | N6 | CC | N | 55.0° | 0.1° |
N1 | C2 | N3 | S2 | 179.5° | 179.8° |
N1 | C2 | N3 | C4 | 0.8° | 0.5° |
N1 | C2 | S2 | C2M | 17.0° | 0.0° |
N3 | C2 | S2 | C2M | 163.4° | 179.7° |
S2 | C2 | N3 | C4 | 178.7° | 179.7° |
C2 | S2 | C2M | H2M1 | 180.0° | 180.0° |
C2 | S2 | C2M | H2M2 | 54.7° | 60.0° |
C2 | S2 | C2M | H2M3 | 54.7° | 60.0° |
S2 | C2M | H2M1 | H2M2 | 125.2° | 120.0° |
S2 | C2M | H2M1 | H2M3 | 125.2° | 120.0° |
S2 | C2M | H2M2 | H2M3 | 120.7° | 120.0° |
H2M1 | C2M | H2M2 | H2M3 | 120.9° | 120.1° |
OO | CC | N | CA | 0.1° | 0.1° |
OO | CC | N | H | 179.9° | 179.9° |
CC | N | CA | H | 180.0° | 180.0° |
CC | N | CA | C | 23.2° | 90.0° |
CC | N | CA | CB | 147.6° | 150.1° |
CC | N | CA | HA | 94.0° | 30.0° |
N | CA | C | CB | 124.0° | 120.0° |
N | CA | C | HA | 117.6° | 120.0° |
N | CA | CB | HA | 117.8° | 120.0° |
N | CA | C | O | 103.8° | 150.0° |
N | CA | C | OXT | 74.2° | 29.9° |
N | CA | CB | OG1 | 158.8° | 59.9° |
N | CA | CB | CG2 | 35.8° | 60.0° |
N | CA | CB | HB | 82.3° | 180.0° |
H | N | CA | C | 156.8° | 90.0° |
H | N | CA | CB | 32.4° | 29.9° |
H | N | CA | HA | 86.1° | 150.0° |
C | CA | CB | HA | 117.2° | 119.9° |
CA | C | O | OXT | 177.9° | 179.9° |
CA | C | OXT | HXT | 179.9° | 180.0° |
C | CA | CB | OG1 | 33.8° | 60.1° |
C | CA | CB | CG2 | 89.2° | 180.0° |
C | CA | CB | HB | 152.7° | 60.0° |
CB | CA | C | O | 132.2° | 90.0° |
CB | CA | C | OXT | 49.8° | 90.1° |
CA | CB | OG1 | CG2 | 123.0° | 120.0° |
CA | CB | OG1 | HB | 118.9° | 120.1° |
CA | CB | CG2 | HB | 118.8° | 120.0° |
CA | CB | OG1 | HG1 | 180.0° | 59.9° |
CA | CB | CG2 | HG21 | 180.0° | 180.0° |
CA | CB | CG2 | HG22 | 54.7° | 60.0° |
CA | CB | CG2 | HG23 | 54.7° | 60.0° |
HA | CA | C | O | 13.8° | 30.0° |
HA | CA | C | OXT | 168.2° | 150.0° |
HA | CA | CB | OG1 | 83.5° | 180.0° |
HA | CA | CB | CG2 | 153.6° | 60.0° |
HA | CA | CB | HB | 35.5° | 60.0° |
O | C | OXT | HXT | 2.0° | 0.1° |
OG1 | CB | CG2 | HB | 118.9° | 120.0° |
OG1 | CB | CG2 | HG21 | 57.7° | 60.0° |
OG1 | CB | CG2 | HG22 | 176.9° | 180.0° |
OG1 | CB | CG2 | HG23 | 67.6° | 60.0° |
CG2 | CB | OG1 | HG1 | 57.0° | 60.0° |
CB | CG2 | HG21 | HG22 | 125.3° | 119.9° |
CB | CG2 | HG21 | HG23 | 125.3° | 120.0° |
CB | CG2 | HG22 | HG23 | 117.5° | 120.0° |
HB | CB | OG1 | HG1 | 61.1° | 180.0° |
HB | CB | CG2 | HG21 | 61.2° | 60.0° |
HB | CB | CG2 | HG22 | 64.2° | 60.0° |
HB | CB | CG2 | HG23 | 173.5° | 179.9° |
HG21 | CG2 | HG22 | HG23 | 117.6° | 120.1° |