UPV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | OP3 | sing | 1.61Å | 1.48Å | |
N1 | C6 | sing | 1.37Å | 1.37Å | |
N1 | C1' | sing | 1.46Å | 1.48Å | |
C2 | N1 | sing | 1.35Å | 1.38Å | |
O2 | C2 | doub | 1.21Å | 1.23Å | |
N3 | C2 | sing | 1.35Å | 1.39Å | |
N3 | C4 | sing | 1.35Å | 1.39Å | |
C4 | C5 | sing | 1.42Å | 1.44Å | |
O4 | C4 | doub | 1.22Å | 1.23Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C5 | C6 | doub | 1.35Å | 1.35Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
CA | HAA | sing | 1.09Å | 1.10Å | |
CA | O2' | sing | 1.43Å | 1.53Å | |
CB | OB1 | sing | 1.34Å | 1.32Å | |
CB | OB2 | doub | 1.21Å | 1.23Å | |
CG | CB | sing | 1.51Å | 1.53Å | |
C1' | O4' | sing | 1.44Å | 1.43Å | |
C1' | C2' | sing | 1.54Å | 1.53Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C3' | sing | 1.54Å | 1.53Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C4' | C3' | sing | 1.55Å | 1.53Å | |
C4' | C5' | sing | 1.53Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C4' | sing | 1.44Å | 1.43Å | |
C5' | H5'A | sing | 1.09Å | 1.10Å | |
O5' | P | sing | 1.61Å | 1.61Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
OB1 | CA | sing | 1.45Å | 1.53Å | |
CD1 | CG | sing | 1.53Å | 1.53Å | |
CD1 | HD1B | sing | 1.09Å | 1.10Å | |
CD1 | HD1A | sing | 1.09Å | 1.10Å | |
CD2 | CG | sing | 1.53Å | 1.53Å | |
CD2 | HD2B | sing | 1.09Å | 1.10Å | |
CD2 | HD2 | sing | 1.09Å | 1.10Å | |
CD3 | CG | sing | 1.53Å | 1.53Å | |
CD3 | HD3 | sing | 1.09Å | 1.10Å | |
CD3 | HD3B | sing | 1.09Å | 1.10Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
OP2 | P | sing | 1.61Å | 1.48Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
HN3 | N3 | sing | 0.97Å | 1.00Å | |
H5' | C5' | sing | 1.09Å | 1.10Å | |
H1' | C1' | sing | 1.09Å | 1.10Å | |
HD1 | CD1 | sing | 1.09Å | 1.10Å | |
H2' | C2' | sing | 1.09Å | 1.10Å | |
HD2A | CD2 | sing | 1.09Å | 1.10Å | |
H3' | C3' | sing | 1.09Å | 1.10Å | |
HD3A | CD3 | sing | 1.09Å | 1.10Å | |
HA | CA | sing | 1.09Å | 1.10Å | |
P | OP1 | doub | 1.48Å | 1.47Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP3 | P | O5' | 108.4° | 109.5° |
P | OP3 | HOP3 | 109.5° | 114.0° |
OP3 | P | OP2 | 119.4° | 109.5° |
OP3 | P | OP1 | 73.9° | 109.5° |
C6 | N1 | C1' | 121.0° | 119.7° |
C6 | N1 | C2 | 121.5° | 120.6° |
N1 | C6 | C5 | 121.7° | 119.7° |
N1 | C6 | H6 | 119.2° | 120.1° |
C1' | N1 | C2 | 117.5° | 119.6° |
N1 | C1' | O4' | 111.0° | 110.4° |
N1 | C1' | C2' | 110.5° | 110.4° |
N1 | C1' | H1' | 109.1° | 110.3° |
N1 | C2 | O2 | 122.8° | 119.5° |
N1 | C2 | N3 | 115.9° | 120.9° |
O2 | C2 | N3 | 121.4° | 119.6° |
C2 | N3 | C4 | 126.2° | 120.3° |
C2 | N3 | HN3 | 116.9° | 119.8° |
N3 | C4 | C5 | 113.8° | 119.4° |
N3 | C4 | O4 | 120.7° | 120.3° |
C4 | N3 | HN3 | 116.9° | 119.9° |
C5 | C4 | O4 | 125.5° | 120.3° |
C4 | C5 | H5 | 119.5° | 120.4° |
C4 | C5 | C6 | 121.0° | 119.1° |
H5 | C5 | C6 | 119.5° | 120.4° |
C5 | C6 | H6 | 119.1° | 120.2° |
HAA | CA | O2' | 109.2° | 109.5° |
HAA | CA | OB1 | 109.3° | 109.5° |
HAA | CA | HA | 109.5° | 109.5° |
CA | O2' | C2' | 111.3° | 114.1° |
O2' | CA | OB1 | 110.3° | 109.5° |
O2' | CA | HA | 109.3° | 109.5° |
OB1 | CB | OB2 | 119.9° | 120.0° |
OB1 | CB | CG | 120.2° | 120.0° |
CB | OB1 | CA | 110.9° | 117.0° |
OB2 | CB | CG | 119.9° | 120.0° |
CB | CG | CD1 | 110.0° | 109.5° |
CB | CG | CD2 | 110.8° | 109.5° |
CB | CG | CD3 | 109.0° | 109.4° |
O4' | C1' | C2' | 107.9° | 104.8° |
C1' | O4' | C4' | 107.8° | 105.3° |
O4' | C1' | H1' | 109.8° | 110.4° |
C1' | C2' | O2' | 111.2° | 110.5° |
C1' | C2' | C3' | 100.8° | 104.1° |
C2' | C1' | H1' | 108.5° | 110.4° |
C1' | C2' | H2' | 110.3° | 110.5° |
O2' | C2' | C3' | 112.0° | 110.5° |
O2' | C2' | H2' | 111.7° | 110.4° |
C2' | C3' | O3' | 112.8° | 110.5° |
C2' | C3' | C4' | 100.6° | 104.0° |
C3' | C2' | H2' | 110.3° | 110.6° |
C2' | C3' | H3' | 110.0° | 110.5° |
C3' | O3' | HO3' | 109.5° | 114.0° |
O3' | C3' | C4' | 111.7° | 110.5° |
O3' | C3' | H3' | 111.4° | 110.5° |
C3' | C4' | C5' | 110.7° | 110.3° |
C3' | C4' | H4' | 108.5° | 110.3° |
C3' | C4' | O4' | 107.1° | 104.8° |
C4' | C3' | H3' | 109.9° | 110.6° |
C5' | C4' | H4' | 108.5° | 110.3° |
C5' | C4' | O4' | 112.0° | 110.4° |
C4' | C5' | H5'A | 108.8° | 109.4° |
C4' | C5' | O5' | 112.1° | 109.4° |
C4' | C5' | H5' | 108.8° | 109.5° |
H4' | C4' | O4' | 109.8° | 110.4° |
H5'A | C5' | O5' | 108.8° | 109.5° |
H5'A | C5' | H5' | 109.5° | 109.6° |
P | O5' | C5' | 120.5° | 123.0° |
O5' | P | OP2 | 108.1° | 109.5° |
O5' | P | OP1 | 99.1° | 109.5° |
O5' | C5' | H5' | 108.8° | 109.4° |
OB1 | CA | HA | 109.3° | 109.5° |
CG | CD1 | HD1B | 109.5° | 109.5° |
CG | CD1 | HD1A | 109.4° | 109.4° |
CD1 | CG | CD2 | 110.1° | 109.5° |
CD1 | CG | CD3 | 107.9° | 109.5° |
CG | CD1 | HD1 | 109.4° | 109.5° |
HD1B | CD1 | HD1A | 109.5° | 109.5° |
HD1B | CD1 | HD1 | 109.5° | 109.5° |
HD1A | CD1 | HD1 | 109.5° | 109.5° |
CG | CD2 | HD2B | 109.5° | 109.5° |
CG | CD2 | HD2 | 109.5° | 109.4° |
CD2 | CG | CD3 | 109.1° | 109.4° |
CG | CD2 | HD2A | 109.5° | 109.5° |
HD2B | CD2 | HD2 | 109.5° | 109.5° |
HD2B | CD2 | HD2A | 109.5° | 109.5° |
HD2 | CD2 | HD2A | 109.4° | 109.5° |
CG | CD3 | HD3 | 109.5° | 109.4° |
CG | CD3 | HD3B | 109.5° | 109.5° |
CG | CD3 | HD3A | 109.5° | 109.4° |
HD3 | CD3 | HD3B | 109.4° | 109.5° |
HD3 | CD3 | HD3A | 109.4° | 109.5° |
HD3B | CD3 | HD3A | 109.5° | 109.5° |
P | OP2 | HOP2 | 109.5° | 114.0° |
OP2 | P | OP1 | 142.2° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP3 | P | O5' | OP2 | 130.7° | 120.0° |
OP3 | P | O5' | OP1 | 75.9° | 120.0° |
OP3 | P | O5' | C5' | 47.5° | 175.0° |
OP3 | P | OP2 | OP1 | 101.9° | 120.0° |
OP3 | P | OP2 | HOP2 | 101.9° | 60.0° |
C6 | N1 | C1' | C2 | 179.9° | 179.8° |
C6 | N1 | C2 | O2 | 179.4° | 180.0° |
C6 | N1 | C2 | N3 | 0.1° | 0.1° |
N1 | C6 | C5 | C4 | 0.7° | 0.0° |
N1 | C6 | C5 | H5 | 179.3° | 180.0° |
N1 | C6 | C5 | H6 | 180.0° | 179.7° |
C6 | N1 | C1' | O4' | 20.7° | 126.4° |
C6 | N1 | C1' | C2' | 98.9° | 118.2° |
C6 | N1 | C1' | H1' | 141.9° | 4.2° |
C1' | N1 | C2 | O2 | 0.7° | 0.2° |
C1' | N1 | C2 | N3 | 179.8° | 179.7° |
C1' | N1 | C6 | C5 | 179.3° | 179.7° |
C1' | N1 | C6 | H6 | 0.7° | 0.0° |
N1 | C1' | O4' | C2' | 121.2° | 118.9° |
N1 | C1' | O4' | H1' | 120.7° | 122.2° |
N1 | C1' | C2' | H1' | 119.6° | 122.3° |
N1 | C1' | C2' | O2' | 150.3° | 98.5° |
N1 | C1' | C2' | C3' | 90.8° | 142.8° |
N1 | C1' | O4' | C4' | 111.6° | 159.3° |
N1 | C1' | C2' | H2' | 25.7° | 24.0° |
N1 | C2 | O2 | N3 | 179.5° | 179.9° |
N1 | C2 | N3 | C4 | 0.3° | 0.0° |
C2 | N1 | C6 | C5 | 0.6° | 0.1° |
C2 | N1 | C6 | H6 | 179.4° | 179.7° |
C2 | N1 | C1' | O4' | 159.2° | 53.8° |
C2 | N1 | C1' | C2' | 81.1° | 61.6° |
N1 | C2 | N3 | HN3 | 179.7° | 179.9° |
C2 | N1 | C1' | H1' | 38.1° | 176.1° |
O2 | C2 | N3 | C4 | 179.8° | 180.0° |
O2 | C2 | N3 | HN3 | 0.2° | 0.0° |
C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
C2 | N3 | C4 | C5 | 0.1° | 0.0° |
C2 | N3 | C4 | O4 | 179.8° | 180.0° |
N3 | C4 | C5 | O4 | 180.0° | 180.0° |
N3 | C4 | C5 | H5 | 179.7° | 180.0° |
N3 | C4 | C5 | C6 | 0.3° | 0.0° |
C4 | C5 | H5 | C6 | 180.0° | 180.0° |
C4 | C5 | C6 | H6 | 179.3° | 179.7° |
C5 | C4 | N3 | HN3 | 179.8° | 180.0° |
O4 | C4 | C5 | H5 | 0.3° | 0.0° |
O4 | C4 | C5 | C6 | 179.7° | 180.0° |
O4 | C4 | N3 | HN3 | 0.2° | 0.0° |
H5 | C5 | C6 | H6 | 0.7° | 0.3° |
HAA | CA | O2' | OB1 | 120.1° | 120.0° |
HAA | CA | O2' | HA | 119.8° | 120.0° |
HAA | CA | OB1 | CB | 84.3° | 164.5° |
HAA | CA | O2' | C2' | 19.7° | 45.9° |
HAA | CA | OB1 | HA | 119.8° | 120.0° |
O2' | CA | OB1 | CB | 155.6° | 75.5° |
CA | O2' | C2' | C1' | 73.6° | 140.1° |
CA | O2' | C2' | C3' | 174.4° | 105.2° |
O2' | CA | OB1 | HA | 120.1° | 120.0° |
CA | O2' | C2' | H2' | 50.1° | 17.5° |
OB1 | CB | OB2 | CG | 179.9° | 180.0° |
OB1 | CB | CG | CD1 | 10.2° | 173.9° |
OB1 | CB | CG | CD2 | 132.1° | 66.0° |
OB1 | CB | CG | CD3 | 107.8° | 53.9° |
CB | OB1 | CA | HA | 35.4° | 44.5° |
OB2 | CB | OB1 | CA | 65.1° | 0.6° |
OB2 | CB | CG | CD1 | 169.9° | 6.1° |
OB2 | CB | CG | CD2 | 48.0° | 113.9° |
OB2 | CB | CG | CD3 | 72.1° | 126.1° |
CG | CB | OB1 | CA | 114.8° | 179.3° |
CB | CG | CD1 | CD2 | 122.4° | 120.0° |
CB | CG | CD1 | CD3 | 118.7° | 120.0° |
CB | CG | CD1 | HD1B | 180.0° | 60.0° |
CB | CG | CD1 | HD1A | 60.0° | 60.0° |
CB | CG | CD2 | CD3 | 120.0° | 119.9° |
CB | CG | CD2 | HD2B | 180.0° | 60.0° |
CB | CG | CD2 | HD2 | 60.0° | 180.0° |
CB | CG | CD3 | HD3 | 180.0° | 59.8° |
CB | CG | CD3 | HD3B | 60.0° | 60.1° |
CB | CG | CD1 | HD1 | 60.0° | 180.0° |
CB | CG | CD2 | HD2A | 60.0° | 60.0° |
CB | CG | CD3 | HD3A | 60.0° | 179.9° |
O4' | C1' | C2' | H1' | 118.9° | 118.8° |
O4' | C1' | C2' | O2' | 88.2° | 142.6° |
O4' | C1' | C2' | C3' | 30.8° | 23.9° |
C1' | O4' | C4' | C3' | 16.0° | 40.5° |
C1' | O4' | C4' | C5' | 137.6° | 159.3° |
C1' | O4' | C4' | H4' | 101.7° | 78.4° |
O4' | C1' | C2' | H2' | 147.3° | 94.8° |
C1' | C2' | O2' | C3' | 112.0° | 114.7° |
C1' | C2' | O2' | H2' | 123.7° | 122.6° |
C1' | C2' | C3' | H2' | 116.5° | 118.7° |
C1' | C2' | C3' | O3' | 157.1° | 118.6° |
C1' | C2' | C3' | C4' | 38.0° | 0.0° |
C2' | C1' | O4' | C4' | 9.6° | 40.5° |
C1' | C2' | C3' | H3' | 77.9° | 118.7° |
O2' | C2' | C3' | H2' | 125.1° | 122.6° |
O2' | C2' | C3' | O3' | 38.7° | 0.1° |
O2' | C2' | C3' | C4' | 80.4° | 118.7° |
C2' | O2' | CA | OB1 | 100.5° | 74.1° |
O2' | C2' | C1' | H1' | 30.7° | 23.8° |
O2' | C2' | C3' | H3' | 163.7° | 122.5° |
C2' | O2' | CA | HA | 139.4° | 165.9° |
C2' | C3' | O3' | C4' | 112.5° | 114.6° |
C2' | C3' | O3' | H3' | 124.2° | 122.7° |
C2' | C3' | O3' | HO3' | 180.0° | 178.1° |
C2' | C3' | C4' | H3' | 116.0° | 118.7° |
C2' | C3' | C4' | C5' | 157.0° | 142.8° |
C2' | C3' | C4' | H4' | 84.0° | 94.9° |
C2' | C3' | C4' | O4' | 34.6° | 24.0° |
C3' | C2' | C1' | H1' | 149.6° | 94.9° |
O3' | C3' | C4' | H3' | 124.1° | 122.7° |
O3' | C3' | C4' | C5' | 83.1° | 98.6° |
O3' | C3' | C4' | H4' | 35.9° | 23.6° |
O3' | C3' | C4' | O4' | 154.5° | 142.6° |
O3' | C3' | C2' | H2' | 86.4° | 122.7° |
HO3' | O3' | C3' | C4' | 67.5° | 63.6° |
HO3' | O3' | C3' | H3' | 55.8° | 59.2° |
C3' | C4' | C5' | H4' | 119.0° | 122.2° |
C3' | C4' | C5' | O4' | 119.5° | 115.4° |
C3' | C4' | H4' | O4' | 116.8° | 115.4° |
C3' | C4' | C5' | H5'A | 178.6° | 65.1° |
C3' | C4' | C5' | O5' | 58.2° | 175.0° |
C3' | C4' | C5' | H5' | 62.2° | 55.0° |
C4' | C3' | C2' | H2' | 154.6° | 118.7° |
C5' | C4' | H4' | O4' | 122.8° | 122.4° |
C4' | C5' | H5'A | O5' | 122.4° | 119.9° |
C4' | C5' | H5'A | H5' | 118.8° | 120.1° |
C4' | C5' | O5' | P | 176.4° | 180.0° |
C4' | C5' | O5' | H5' | 120.4° | 120.0° |
C5' | C4' | C3' | H3' | 41.0° | 24.2° |
H4' | C4' | C5' | H5'A | 62.3° | 172.7° |
H4' | C4' | C5' | O5' | 177.3° | 52.8° |
H4' | C4' | C5' | H5' | 56.9° | 67.2° |
H4' | C4' | C3' | H3' | 160.1° | 146.4° |
O4' | C4' | C5' | H5'A | 59.1° | 50.3° |
O4' | C4' | C5' | O5' | 61.3° | 69.6° |
O4' | C4' | C5' | H5' | 178.3° | 170.4° |
C4' | O4' | C1' | H1' | 127.7° | 78.4° |
O4' | C4' | C3' | H3' | 81.4° | 94.7° |
H5'A | C5' | O5' | P | 63.2° | 60.0° |
H5'A | C5' | O5' | H5' | 119.2° | 120.1° |
O5' | P | OP3 | HOP3 | 94.4° | 180.0° |
O5' | P | OP2 | OP1 | 133.7° | 120.0° |
O5' | P | OP2 | HOP2 | 133.7° | 60.0° |
P | O5' | C5' | H5' | 56.0° | 60.1° |
C5' | O5' | P | OP2 | 178.2° | 65.0° |
C5' | O5' | P | OP1 | 28.5° | 55.0° |
CG | CD1 | HD1B | HD1A | 120.0° | 120.0° |
CG | CD1 | HD1B | HD1 | 120.0° | 120.0° |
CG | CD1 | HD1A | HD1 | 120.0° | 120.0° |
CD1 | CG | CD2 | CD3 | 118.2° | 120.0° |
CD1 | CG | CD2 | HD2B | 58.1° | 180.0° |
CD1 | CG | CD2 | HD2 | 178.2° | 60.0° |
CD1 | CG | CD3 | HD3 | 60.7° | 60.2° |
CD1 | CG | CD3 | HD3B | 59.3° | 179.8° |
CD1 | CG | CD2 | HD2A | 61.9° | 60.0° |
CD1 | CG | CD3 | HD3A | 179.3° | 59.9° |
HD1B | CD1 | HD1A | HD1 | 120.0° | 120.0° |
HD1B | CD1 | CG | CD2 | 57.7° | 60.0° |
HD1B | CD1 | CG | CD3 | 61.3° | 180.0° |
HD1A | CD1 | CG | CD2 | 62.4° | 180.0° |
HD1A | CD1 | CG | CD3 | 178.7° | 60.0° |
CG | CD2 | HD2B | HD2 | 120.0° | 120.0° |
CG | CD2 | HD2B | HD2A | 120.0° | 120.0° |
CG | CD2 | HD2 | HD2A | 120.0° | 120.0° |
CD2 | CG | CD3 | HD3 | 58.9° | 179.8° |
CD2 | CG | CD3 | HD3B | 178.9° | 59.8° |
CD2 | CG | CD1 | HD1 | 177.6° | 60.0° |
CD2 | CG | CD3 | HD3A | 61.1° | 60.2° |
HD2B | CD2 | HD2 | HD2A | 120.0° | 120.0° |
HD2B | CD2 | CG | CD3 | 60.0° | 60.0° |
HD2 | CD2 | CG | CD3 | 60.0° | 60.1° |
CG | CD3 | HD3 | HD3B | 120.0° | 120.0° |
CG | CD3 | HD3 | HD3A | 120.0° | 120.0° |
CG | CD3 | HD3B | HD3A | 120.0° | 120.0° |
CD3 | CG | CD1 | HD1 | 58.7° | 60.0° |
CD3 | CG | CD2 | HD2A | 180.0° | 180.0° |
HD3 | CD3 | HD3B | HD3A | 119.9° | 120.1° |
HOP3 | OP3 | P | OP2 | 141.4° | 60.0° |
HOP3 | OP3 | P | OP1 | 0.0° | 60.0° |
HOP2 | OP2 | P | OP1 | 0.0° | 180.0° |
H1' | C1' | C2' | H2' | 93.8° | 146.3° |
H2' | C2' | C3' | H3' | 38.6° | 0.1° |