52H
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
C4 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.35Å | |
C8 | N9 | sing | 1.36Å | 1.36Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
N3 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
CAA | CBB | sing | 1.53Å | 1.53Å | |
CBB | CAB | sing | 1.53Å | 1.53Å | |
CBB | CAC | sing | 1.53Å | 1.50Å | |
CBB | CAX | sing | 1.53Å | 1.56Å | |
CAX | OAH | sing | 1.43Å | 1.47Å | |
CAX | CAT | sing | 1.51Å | 1.55Å | |
CAT | OAE | doub | 1.21Å | 1.24Å | |
CAT | NAQ | sing | 1.35Å | 1.32Å | |
NAQ | SBE | sing | 1.66Å | 1.63Å | |
SBE | OAF | doub | 1.42Å | 1.48Å | |
SBE | OAG | doub | 1.42Å | 1.47Å | |
SBE | O5' | sing | 1.52Å | 1.46Å | |
O5' | C5' | sing | 1.43Å | 1.47Å | |
C5' | C4' | sing | 1.53Å | 1.55Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C3' | sing | 1.54Å | 1.53Å | |
O4' | C1' | sing | 1.44Å | 1.44Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | C2' | sing | 1.55Å | 1.54Å | |
C2' | O2' | sing | 1.43Å | 1.45Å | |
C2' | C1' | sing | 1.55Å | 1.53Å | |
C1' | N9 | sing | 1.46Å | 1.49Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAA | HAAB | sing | 1.09Å | 1.10Å | |
CAB | HAB | sing | 1.09Å | 1.10Å | |
CAB | HABA | sing | 1.09Å | 1.10Å | |
CAB | HABB | sing | 1.09Å | 1.10Å | |
CAC | HAC | sing | 1.09Å | 1.10Å | |
CAC | HACA | sing | 1.09Å | 1.10Å | |
CAC | HACB | sing | 1.09Å | 1.10Å | |
CAX | HAX | sing | 1.09Å | 1.10Å | |
OAH | HOAH | sing | 0.97Å | 0.95Å | |
NAQ | HNAQ | sing | 0.97Å | 1.00Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'A | sing | 1.09Å | 1.10Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
N6 | HN6 | sing | 0.97Å | 1.00Å | |
N6 | HN6A | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5 | C4 | N3 | 121.3° | 119.1° |
C5 | C4 | N9 | 107.3° | 106.0° |
C4 | C5 | C6 | 117.4° | 118.2° |
C4 | C5 | N7 | 108.5° | 107.1° |
N3 | C4 | N9 | 131.4° | 134.9° |
C4 | N3 | C2 | 119.1° | 120.7° |
C4 | N9 | C8 | 107.6° | 107.4° |
C4 | N9 | C1' | 124.4° | 126.3° |
C6 | C5 | N7 | 134.1° | 134.7° |
C5 | C6 | N1 | 118.0° | 118.5° |
C5 | C6 | N6 | 120.5° | 120.8° |
C5 | N7 | C8 | 106.3° | 109.5° |
N1 | C6 | N6 | 121.5° | 120.8° |
C6 | N1 | C2 | 123.1° | 121.2° |
C6 | N6 | HN6 | 109.5° | 120.0° |
C6 | N6 | HN6A | 109.5° | 120.0° |
N9 | C8 | N7 | 110.4° | 110.0° |
C8 | N9 | C1' | 127.9° | 126.3° |
N9 | C8 | H8 | 124.8° | 125.0° |
N7 | C8 | H8 | 124.8° | 125.1° |
N1 | C2 | N3 | 121.0° | 122.4° |
N1 | C2 | H2 | 119.5° | 118.8° |
N3 | C2 | H2 | 119.5° | 118.8° |
CAA | CBB | CAB | 107.1° | 109.5° |
CAA | CBB | CAC | 107.0° | 109.5° |
CAA | CBB | CAX | 110.7° | 109.5° |
CBB | CAA | HAA | 109.5° | 109.5° |
CBB | CAA | HAAA | 109.5° | 109.5° |
CBB | CAA | HAAB | 109.4° | 109.5° |
CAB | CBB | CAC | 112.3° | 109.4° |
CAB | CBB | CAX | 112.2° | 109.5° |
CBB | CAB | HAB | 109.5° | 109.5° |
CBB | CAB | HABA | 109.5° | 109.6° |
CBB | CAB | HABB | 109.5° | 109.5° |
CAC | CBB | CAX | 107.5° | 109.5° |
CBB | CAC | HAC | 109.5° | 109.5° |
CBB | CAC | HACA | 109.5° | 109.4° |
CBB | CAC | HACB | 109.4° | 109.5° |
CBB | CAX | OAH | 111.9° | 109.4° |
CBB | CAX | CAT | 117.3° | 109.5° |
CBB | CAX | HAX | 101.1° | 109.5° |
OAH | CAX | CAT | 106.4° | 109.5° |
OAH | CAX | HAX | 113.1° | 109.5° |
CAX | OAH | HOAH | 109.5° | 114.0° |
CAX | CAT | OAE | 121.3° | 120.0° |
CAX | CAT | NAQ | 113.5° | 120.0° |
CAT | CAX | HAX | 107.2° | 109.5° |
OAE | CAT | NAQ | 125.0° | 120.0° |
CAT | NAQ | SBE | 123.7° | 120.0° |
CAT | NAQ | HNAQ | 118.1° | 120.0° |
NAQ | SBE | OAF | 110.5° | 106.4° |
NAQ | SBE | OAG | 108.3° | 106.4° |
NAQ | SBE | O5' | 113.2° | 107.2° |
SBE | NAQ | HNAQ | 118.1° | 120.0° |
OAF | SBE | OAG | 114.5° | 123.1° |
OAF | SBE | O5' | 103.4° | 106.5° |
OAG | SBE | O5' | 107.0° | 106.4° |
SBE | O5' | C5' | 115.6° | 113.9° |
O5' | C5' | C4' | 111.2° | 109.4° |
O5' | C5' | H5' | 108.9° | 109.5° |
O5' | C5' | H5'A | 108.5° | 109.5° |
C5' | C4' | O4' | 106.8° | 109.9° |
C5' | C4' | C3' | 110.9° | 109.9° |
C4' | C5' | H5' | 108.9° | 109.5° |
C4' | C5' | H5'A | 108.5° | 109.4° |
C5' | C4' | H4' | 109.4° | 109.9° |
O4' | C4' | C3' | 106.6° | 107.3° |
C4' | O4' | C1' | 108.9° | 107.0° |
O4' | C4' | H4' | 113.5° | 109.9° |
C4' | C3' | O3' | 108.6° | 110.4° |
C4' | C3' | C2' | 103.0° | 104.2° |
C3' | C4' | H4' | 109.6° | 110.0° |
C4' | C3' | H3' | 114.7° | 110.4° |
O4' | C1' | C2' | 102.9° | 103.5° |
O4' | C1' | N9 | 112.8° | 110.6° |
O4' | C1' | H1' | 111.8° | 110.6° |
O3' | C3' | C2' | 111.2° | 110.5° |
O3' | C3' | H3' | 107.1° | 110.4° |
C3' | O3' | HO3' | 109.5° | 114.0° |
C3' | C2' | O2' | 115.0° | 110.9° |
C3' | C2' | C1' | 101.6° | 102.1° |
C2' | C3' | H3' | 112.3° | 110.7° |
C3' | C2' | H2' | 111.1° | 110.9° |
O2' | C2' | C1' | 109.2° | 110.9° |
O2' | C2' | H2' | 103.8° | 110.8° |
C2' | O2' | HO2' | 109.5° | 114.0° |
C2' | C1' | N9 | 109.9° | 110.6° |
C1' | C2' | H2' | 116.7° | 111.0° |
C2' | C1' | H1' | 114.6° | 110.7° |
N9 | C1' | H1' | 105.0° | 110.6° |
HAA | CAA | HAAA | 109.4° | 109.5° |
HAA | CAA | HAAB | 109.5° | 109.4° |
HAAA | CAA | HAAB | 109.5° | 109.5° |
HAB | CAB | HABA | 109.4° | 109.5° |
HAB | CAB | HABB | 109.5° | 109.4° |
HABA | CAB | HABB | 109.5° | 109.4° |
HAC | CAC | HACA | 109.5° | 109.5° |
HAC | CAC | HACB | 109.5° | 109.5° |
HACA | CAC | HACB | 109.5° | 109.5° |
H5' | C5' | H5'A | 110.8° | 109.5° |
HN6 | N6 | HN6A | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C5 | C4 | N3 | N9 | 178.4° | 179.7° |
C4 | C5 | C6 | N7 | 179.2° | 180.0° |
C4 | C5 | C6 | N1 | 2.8° | 0.0° |
C4 | C5 | C6 | N6 | 179.8° | 180.0° |
C5 | C4 | N9 | C8 | 0.8° | 0.0° |
C4 | C5 | N7 | C8 | 0.2° | 0.4° |
C5 | C4 | N3 | C2 | 1.0° | 0.1° |
C5 | C4 | N9 | C1' | 179.7° | 180.0° |
N3 | C4 | C5 | C6 | 1.5° | 0.0° |
N3 | C4 | C5 | N7 | 179.1° | 180.0° |
N3 | C4 | N9 | C8 | 179.4° | 179.7° |
C4 | N3 | C2 | N1 | 1.8° | 0.1° |
N3 | C4 | N9 | C1' | 1.7° | 0.2° |
C4 | N3 | C2 | H2 | 178.2° | 179.9° |
N9 | C4 | C5 | C6 | 179.7° | 179.8° |
N9 | C4 | C5 | N7 | 0.4° | 0.2° |
C4 | N9 | C8 | C1' | 178.8° | 180.0° |
C4 | N9 | C8 | N7 | 0.9° | 0.3° |
N9 | C4 | N3 | C2 | 179.4° | 179.6° |
C4 | N9 | C1' | O4' | 123.8° | 156.4° |
C4 | N9 | C1' | C2' | 122.0° | 89.5° |
C4 | N9 | C8 | H8 | 179.0° | 180.0° |
C4 | N9 | C1' | H1' | 1.7° | 33.5° |
C5 | C6 | N1 | N6 | 177.4° | 180.0° |
C6 | C5 | N7 | C8 | 179.0° | 179.6° |
C5 | C6 | N1 | C2 | 3.8° | 0.0° |
C5 | C6 | N6 | HN6 | 160.8° | 0.1° |
C5 | C6 | N6 | HN6A | 40.7° | 180.0° |
N7 | C5 | C6 | N1 | 178.1° | 180.0° |
N7 | C5 | C6 | N6 | 0.6° | 0.0° |
C5 | N7 | C8 | N9 | 0.7° | 0.4° |
C5 | N7 | C8 | H8 | 179.3° | 179.9° |
C6 | N1 | C2 | N3 | 3.3° | 0.1° |
C6 | N1 | C2 | H2 | 176.7° | 179.9° |
N1 | C6 | N6 | HN6 | 16.6° | 179.9° |
N1 | C6 | N6 | HN6A | 136.6° | 0.0° |
N6 | C6 | N1 | C2 | 178.8° | 180.0° |
C6 | N6 | HN6 | HN6A | 120.0° | 179.9° |
N9 | C8 | N7 | H8 | 180.0° | 179.7° |
C8 | N9 | C1' | O4' | 57.6° | 23.5° |
C8 | N9 | C1' | C2' | 56.6° | 90.5° |
C8 | N9 | C1' | H1' | 179.6° | 146.5° |
N7 | C8 | N9 | C1' | 179.8° | 179.7° |
N1 | C2 | N3 | H2 | 180.0° | 180.0° |
CAA | CBB | CAB | CAC | 117.1° | 120.0° |
CAA | CBB | CAB | CAX | 121.7° | 120.0° |
CAA | CBB | CAC | CAX | 118.9° | 120.0° |
CAA | CBB | CAX | OAH | 56.2° | 64.8° |
CAA | CBB | CAX | CAT | 179.5° | 175.2° |
CBB | CAA | HAA | HAAA | 120.0° | 120.0° |
CBB | CAA | HAA | HAAB | 120.0° | 120.0° |
CBB | CAA | HAAA | HAAB | 120.0° | 120.0° |
CAA | CBB | CAB | HAB | 1.7° | 59.9° |
CAA | CBB | CAB | HABA | 121.7° | 180.0° |
CAA | CBB | CAB | HABB | 118.3° | 60.0° |
CAA | CBB | CAC | HAC | 177.7° | 60.1° |
CAA | CBB | CAC | HACA | 62.3° | 180.0° |
CAA | CBB | CAC | HACB | 57.7° | 59.9° |
CAA | CBB | CAX | HAX | 64.4° | 55.2° |
CAB | CBB | CAC | CAX | 123.9° | 120.0° |
CAB | CBB | CAX | OAH | 175.8° | 55.2° |
CAB | CBB | CAX | CAT | 60.9° | 64.7° |
CAB | CBB | CAA | HAA | 151.5° | 60.0° |
CAB | CBB | CAA | HAAA | 88.6° | 180.0° |
CAB | CBB | CAA | HAAB | 31.5° | 60.0° |
CBB | CAB | HAB | HABA | 120.0° | 120.1° |
CBB | CAB | HAB | HABB | 120.0° | 120.0° |
CBB | CAB | HABA | HABB | 120.0° | 120.0° |
CAB | CBB | CAC | HAC | 60.4° | 179.9° |
CAB | CBB | CAC | HACA | 179.5° | 60.0° |
CAB | CBB | CAC | HACB | 59.5° | 60.1° |
CAB | CBB | CAX | HAX | 55.1° | 175.2° |
CAC | CBB | CAX | OAH | 60.2° | 175.2° |
CAC | CBB | CAX | CAT | 63.0° | 55.2° |
CAC | CBB | CAA | HAA | 30.9° | 180.0° |
CAC | CBB | CAA | HAAA | 150.8° | 60.0° |
CAC | CBB | CAA | HAAB | 89.1° | 60.0° |
CAC | CBB | CAB | HAB | 118.9° | 60.0° |
CAC | CBB | CAB | HABA | 121.2° | 60.0° |
CAC | CBB | CAB | HABB | 1.1° | 180.0° |
CBB | CAC | HAC | HACA | 120.0° | 120.0° |
CBB | CAC | HAC | HACB | 120.0° | 120.0° |
CBB | CAC | HACA | HACB | 120.0° | 120.0° |
CAC | CBB | CAX | HAX | 179.1° | 64.8° |
CBB | CAX | OAH | CAT | 129.3° | 120.0° |
CBB | CAX | OAH | HAX | 113.4° | 120.0° |
CBB | CAX | CAT | HAX | 112.7° | 120.0° |
CBB | CAX | CAT | OAE | 97.8° | 102.0° |
CBB | CAX | CAT | NAQ | 86.8° | 77.9° |
CAX | CBB | CAA | HAA | 85.9° | 60.0° |
CAX | CBB | CAA | HAAA | 34.0° | 60.0° |
CAX | CBB | CAA | HAAB | 154.1° | 180.0° |
CAX | CBB | CAB | HAB | 119.9° | 180.0° |
CAX | CBB | CAB | HABA | 0.0° | 59.9° |
CAX | CBB | CAB | HABB | 120.0° | 60.1° |
CAX | CBB | CAC | HAC | 63.4° | 60.0° |
CAX | CBB | CAC | HACA | 56.6° | 60.0° |
CAX | CBB | CAC | HACB | 176.6° | 180.0° |
CBB | CAX | OAH | HOAH | 119.5° | 60.0° |
OAH | CAX | CAT | HAX | 121.3° | 120.0° |
OAH | CAX | CAT | OAE | 28.2° | 17.9° |
OAH | CAX | CAT | NAQ | 147.1° | 162.2° |
CAX | CAT | OAE | NAQ | 174.8° | 179.9° |
CAX | CAT | NAQ | SBE | 173.9° | 174.7° |
CAT | CAX | OAH | HOAH | 9.7° | 60.0° |
CAX | CAT | NAQ | HNAQ | 6.1° | 5.3° |
OAE | CAT | NAQ | SBE | 1.3° | 5.4° |
OAE | CAT | CAX | HAX | 149.5° | 137.9° |
OAE | CAT | NAQ | HNAQ | 178.7° | 174.6° |
CAT | NAQ | SBE | HNAQ | 180.0° | 180.0° |
CAT | NAQ | SBE | OAF | 67.0° | 178.6° |
CAT | NAQ | SBE | OAG | 166.9° | 48.5° |
CAT | NAQ | SBE | O5' | 48.5° | 65.0° |
NAQ | CAT | CAX | HAX | 25.9° | 42.1° |
NAQ | SBE | OAF | OAG | 122.6° | 122.9° |
NAQ | SBE | OAF | O5' | 121.4° | 114.1° |
NAQ | SBE | OAG | O5' | 122.3° | 114.1° |
NAQ | SBE | O5' | C5' | 63.5° | 75.0° |
OAF | SBE | OAG | O5' | 113.9° | 123.0° |
OAF | SBE | O5' | C5' | 176.8° | 38.6° |
OAF | SBE | NAQ | HNAQ | 113.0° | 1.4° |
OAG | SBE | O5' | C5' | 55.6° | 171.5° |
OAG | SBE | NAQ | HNAQ | 13.1° | 131.5° |
SBE | O5' | C5' | C4' | 168.3° | 180.0° |
O5' | SBE | NAQ | HNAQ | 131.5° | 115.0° |
SBE | O5' | C5' | H5' | 48.3° | 60.0° |
SBE | O5' | C5' | H5'A | 72.5° | 60.1° |
O5' | C5' | C4' | H5' | 120.0° | 120.0° |
O5' | C5' | C4' | H5'A | 119.3° | 119.9° |
O5' | C5' | C4' | O4' | 66.1° | 66.5° |
O5' | C5' | C4' | C3' | 49.7° | 175.7° |
O5' | C5' | H5' | H5'A | 119.3° | 120.1° |
O5' | C5' | C4' | H4' | 170.7° | 54.5° |
C5' | C4' | O4' | C3' | 118.6° | 119.4° |
C5' | C4' | O4' | H4' | 120.7° | 121.1° |
C5' | C4' | C3' | H4' | 120.9° | 121.2° |
C5' | C4' | O4' | C1' | 129.8° | 145.9° |
C5' | C4' | C3' | O3' | 141.3° | 119.9° |
C5' | C4' | C3' | C2' | 100.8° | 121.4° |
C4' | C5' | H5' | H5'A | 119.3° | 120.0° |
C5' | C4' | C3' | H3' | 21.6° | 2.5° |
O4' | C4' | C3' | H4' | 123.2° | 119.5° |
O4' | C4' | C3' | O3' | 102.8° | 120.7° |
O4' | C4' | C3' | C2' | 15.1° | 2.0° |
C4' | O4' | C1' | C2' | 33.1° | 40.1° |
C4' | O4' | C1' | N9 | 151.5° | 158.6° |
O4' | C4' | C5' | H5' | 173.9° | 53.5° |
O4' | C4' | C5' | H5'A | 53.2° | 173.6° |
O4' | C4' | C3' | H3' | 137.5° | 116.8° |
C4' | O4' | C1' | H1' | 90.4° | 78.5° |
C3' | C4' | O4' | C1' | 11.2° | 26.5° |
C4' | C3' | O3' | C2' | 112.7° | 114.8° |
C4' | C3' | O3' | H3' | 124.4° | 122.4° |
C4' | C3' | C2' | H3' | 123.9° | 118.7° |
C4' | C3' | C2' | O2' | 151.7° | 139.0° |
C4' | C3' | C2' | C1' | 33.9° | 20.9° |
C3' | C4' | C5' | H5' | 70.3° | 64.2° |
C3' | C4' | C5' | H5'A | 169.0° | 55.8° |
C4' | C3' | O3' | HO3' | 90.4° | 180.0° |
C4' | C3' | C2' | H2' | 90.8° | 97.4° |
O4' | C1' | C2' | C3' | 41.1° | 37.0° |
O4' | C1' | C2' | O2' | 163.0° | 155.2° |
O4' | C1' | C2' | N9 | 120.4° | 118.5° |
O4' | C1' | C2' | H1' | 121.6° | 118.5° |
O4' | C1' | N9 | H1' | 122.0° | 123.0° |
C1' | O4' | C4' | H4' | 109.5° | 93.0° |
O4' | C1' | C2' | H2' | 79.8° | 81.2° |
O3' | C3' | C2' | H3' | 119.9° | 122.6° |
O3' | C3' | C2' | O2' | 35.6° | 20.4° |
O3' | C3' | C2' | C1' | 82.2° | 97.8° |
O3' | C3' | C4' | H4' | 20.4° | 1.3° |
O3' | C3' | C2' | H2' | 153.0° | 144.0° |
C3' | C2' | O2' | C1' | 113.4° | 112.7° |
C3' | C2' | O2' | H2' | 121.5° | 123.6° |
C3' | C2' | C1' | H2' | 120.9° | 118.2° |
C3' | C2' | C1' | N9 | 161.5° | 155.5° |
C2' | C3' | C4' | H4' | 138.3° | 117.4° |
C2' | C3' | O3' | HO3' | 156.9° | 65.2° |
C3' | C2' | O2' | HO2' | 145.6° | 61.4° |
C3' | C2' | C1' | H1' | 80.5° | 81.5° |
O2' | C2' | C1' | H2' | 117.2° | 123.6° |
O2' | C2' | C1' | N9 | 76.6° | 86.3° |
O2' | C2' | C3' | H3' | 84.3° | 102.2° |
O2' | C2' | C1' | H1' | 41.4° | 36.7° |
C2' | C1' | N9 | H1' | 123.8° | 123.0° |
C1' | C2' | C3' | H3' | 157.9° | 139.6° |
C1' | C2' | O2' | HO2' | 32.3° | 174.1° |
C1' | N9 | C8 | H8 | 0.2° | 0.1° |
N9 | C1' | C2' | H2' | 40.6° | 37.3° |
HAA | CAA | HAAA | HAAB | 120.0° | 119.9° |
HAB | CAB | HABA | HABB | 120.0° | 119.9° |
HAC | CAC | HACA | HACB | 120.0° | 120.0° |
HAX | CAX | OAH | HOAH | 127.1° | 180.0° |
H5' | C5' | C4' | H4' | 50.7° | 174.6° |
H5'A | C5' | C4' | H4' | 70.0° | 65.4° |
H4' | C4' | C3' | H3' | 99.3° | 123.7° |
H3' | C3' | O3' | HO3' | 33.9° | 57.5° |
H3' | C3' | C2' | H2' | 33.1° | 21.4° |
H2' | C2' | O2' | HO2' | 92.8° | 62.2° |
H2' | C2' | C1' | H1' | 158.6° | 160.3° |