APK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.22Å | |
C | CA | sing | 1.51Å | 1.49Å | |
C | HC | sing | 1.08Å | 1.08Å | |
CA | N | sing | 1.47Å | 1.46Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CB | CG | sing | 1.53Å | 1.49Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CG | CD | sing | 1.53Å | 1.55Å | |
CG | HG2 | sing | 1.09Å | 1.10Å | |
CG | HG3 | sing | 1.09Å | 1.10Å | |
CD | CE | sing | 1.53Å | 1.52Å | |
CD | HD2 | sing | 1.09Å | 1.10Å | |
CD | HD3 | sing | 1.09Å | 1.10Å | |
CE | NZ | sing | 1.47Å | 1.47Å | |
CE | HE2 | sing | 1.09Å | 1.10Å | |
CE | HE3 | sing | 1.09Å | 1.10Å | |
NZ | P | sing | 1.68Å | 1.65Å | |
NZ | HZ | sing | 1.01Å | 1.00Å | |
P | O1P | doub | 1.48Å | 1.49Å | |
P | O2P | sing | 1.61Å | 1.47Å | |
P | O5' | sing | 1.61Å | 1.59Å | |
O2P | HO2P | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.38Å | |
C5' | C4' | sing | 1.53Å | 1.52Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
C4' | O4' | sing | 1.44Å | 1.43Å | |
C4' | C3' | sing | 1.54Å | 1.51Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.46Å | |
C3' | O3' | sing | 1.43Å | 1.38Å | |
C3' | C2' | sing | 1.55Å | 1.48Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.41Å | |
C2' | C1' | sing | 1.55Å | 1.50Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.47Å | 1.45Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N7 | C5 | sing | 1.35Å | 1.34Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
C4 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
N3 | C2 | doub | 1.32Å | 1.31Å | Aromatic |
C2 | N1 | sing | 1.32Å | 1.33Å | Aromatic |
C2 | HC2 | sing | 1.08Å | 1.08Å | |
N1 | C6 | doub | 1.33Å | 1.33Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.35Å | |
N6 | HN61 | sing | 0.97Å | 1.00Å | |
N6 | HN62 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 119.3° | 120.0° |
O | C | HC | 120.3° | 120.0° |
CA | C | HC | 120.3° | 120.0° |
C | CA | N | 104.0° | 109.5° |
C | CA | CB | 108.4° | 109.5° |
C | CA | HA | 113.8° | 109.4° |
N | CA | CB | 110.0° | 109.5° |
N | CA | HA | 112.3° | 109.5° |
CA | N | H | 109.5° | 106.7° |
CA | N | H2 | 109.5° | 106.7° |
CB | CA | HA | 108.2° | 109.5° |
CA | CB | CG | 110.6° | 109.4° |
CA | CB | HB2 | 108.8° | 109.5° |
CA | CB | HB3 | 109.1° | 109.5° |
H | N | H2 | 109.5° | 106.7° |
CG | CB | HB2 | 108.8° | 109.4° |
CG | CB | HB3 | 109.1° | 109.5° |
CB | CG | CD | 111.2° | 109.4° |
CB | CG | HG2 | 108.5° | 109.5° |
CB | CG | HG3 | 108.9° | 109.5° |
HB2 | CB | HB3 | 110.4° | 109.5° |
CD | CG | HG2 | 108.5° | 109.4° |
CD | CG | HG3 | 108.9° | 109.5° |
CG | CD | CE | 109.9° | 109.4° |
CG | CD | HD2 | 109.2° | 109.5° |
CG | CD | HD3 | 109.3° | 109.5° |
HG2 | CG | HG3 | 110.8° | 109.5° |
CE | CD | HD2 | 109.3° | 109.4° |
CE | CD | HD3 | 109.3° | 109.5° |
CD | CE | NZ | 109.2° | 109.5° |
CD | CE | HE2 | 109.6° | 109.5° |
CD | CE | HE3 | 109.6° | 109.5° |
HD2 | CD | HD3 | 109.8° | 109.5° |
NZ | CE | HE2 | 109.6° | 109.4° |
NZ | CE | HE3 | 109.6° | 109.5° |
CE | NZ | P | 111.6° | 106.7° |
CE | NZ | HZ | 108.8° | 106.7° |
HE2 | CE | HE3 | 109.3° | 109.5° |
P | NZ | HZ | 108.8° | 106.7° |
NZ | P | O1P | 111.5° | 109.5° |
NZ | P | O2P | 107.7° | 109.5° |
NZ | P | O5' | 99.2° | 109.5° |
O1P | P | O2P | 118.6° | 109.5° |
O1P | P | O5' | 112.5° | 109.5° |
O2P | P | O5' | 105.4° | 109.5° |
P | O2P | HO2P | 109.5° | 106.7° |
P | O5' | C5' | 119.9° | 106.8° |
O5' | C5' | C4' | 112.6° | 109.5° |
O5' | C5' | H5'1 | 107.7° | 109.5° |
O5' | C5' | H5'2 | 108.4° | 109.5° |
C4' | C5' | H5'1 | 107.7° | 109.4° |
C4' | C5' | H5'2 | 108.4° | 109.4° |
C5' | C4' | O4' | 103.7° | 109.9° |
C5' | C4' | C3' | 109.6° | 109.9° |
C5' | C4' | H4' | 111.8° | 109.9° |
H5'1 | C5' | H5'2 | 112.0° | 109.5° |
O4' | C4' | C3' | 105.2° | 107.4° |
O4' | C4' | H4' | 115.7° | 109.8° |
C4' | O4' | C1' | 108.5° | 107.0° |
C3' | C4' | H4' | 110.5° | 109.9° |
C4' | C3' | O3' | 106.2° | 110.8° |
C4' | C3' | C2' | 103.4° | 104.0° |
C4' | C3' | H3' | 112.7° | 110.4° |
O4' | C1' | C2' | 106.8° | 103.5° |
O4' | C1' | N9 | 108.7° | 110.6° |
O4' | C1' | H1' | 113.6° | 110.6° |
O3' | C3' | C2' | 100.8° | 110.5° |
O3' | C3' | H3' | 114.9° | 110.4° |
C3' | O3' | HO3' | 109.5° | 106.8° |
C2' | C3' | H3' | 117.3° | 110.5° |
C3' | C2' | O2' | 105.5° | 110.8° |
C3' | C2' | C1' | 102.6° | 102.1° |
C3' | C2' | H2' | 115.3° | 110.9° |
O2' | C2' | C1' | 106.9° | 110.9° |
O2' | C2' | H2' | 111.6° | 110.8° |
C2' | O2' | HO2' | 109.5° | 106.8° |
C1' | C2' | H2' | 114.1° | 110.9° |
C2' | C1' | N9 | 114.4° | 110.8° |
C2' | C1' | H1' | 107.7° | 110.7° |
N9 | C1' | H1' | 105.8° | 110.6° |
C1' | N9 | C8 | 124.3° | 126.3° |
C1' | N9 | C4 | 126.8° | 126.3° |
C8 | N9 | C4 | 108.8° | 107.5° |
N9 | C8 | N7 | 109.4° | 109.9° |
N9 | C8 | H8 | 125.3° | 125.0° |
N9 | C4 | C5 | 105.7° | 106.0° |
N9 | C4 | N3 | 133.8° | 134.9° |
N7 | C8 | H8 | 125.3° | 125.0° |
C8 | N7 | C5 | 108.0° | 109.5° |
N7 | C5 | C4 | 108.0° | 107.2° |
N7 | C5 | C6 | 133.3° | 134.7° |
C4 | C5 | C6 | 118.7° | 118.1° |
C5 | C4 | N3 | 120.5° | 119.1° |
C5 | C6 | N1 | 117.7° | 118.5° |
C5 | C6 | N6 | 121.0° | 120.8° |
C4 | N3 | C2 | 118.9° | 120.6° |
N3 | C2 | N1 | 121.9° | 122.5° |
N3 | C2 | HC2 | 119.0° | 118.7° |
N1 | C2 | HC2 | 119.1° | 118.8° |
C2 | N1 | C6 | 122.3° | 121.2° |
N1 | C6 | N6 | 121.3° | 120.8° |
C6 | N6 | HN61 | 125.3° | 120.0° |
C6 | N6 | HN62 | 109.5° | 120.0° |
HN61 | N6 | HN62 | 125.3° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | HC | 180.0° | 180.0° |
O | C | CA | N | 41.7° | 0.0° |
O | C | CA | CB | 75.4° | 120.0° |
O | C | CA | HA | 164.2° | 120.0° |
C | CA | N | CB | 116.0° | 120.0° |
C | CA | N | HA | 123.5° | 119.9° |
C | CA | CB | HA | 123.8° | 119.9° |
C | CA | N | H | 18.4° | 60.0° |
C | CA | N | H2 | 101.6° | 173.8° |
C | CA | CB | CG | 72.2° | 175.0° |
C | CA | CB | HB2 | 47.3° | 65.0° |
C | CA | CB | HB3 | 167.8° | 55.0° |
HC | C | CA | N | 138.3° | 180.0° |
HC | C | CA | CB | 104.6° | 60.0° |
HC | C | CA | HA | 15.8° | 60.0° |
N | CA | CB | HA | 123.0° | 120.1° |
CA | N | H | H2 | 120.0° | 113.7° |
N | CA | CB | CG | 174.6° | 65.0° |
N | CA | CB | HB2 | 65.9° | 55.0° |
N | CA | CB | HB3 | 54.6° | 175.0° |
CB | CA | N | H | 97.6° | 60.0° |
CB | CA | N | H2 | 142.4° | 53.7° |
CA | CB | CG | HB2 | 119.5° | 119.9° |
CA | CB | CG | HB3 | 120.0° | 120.0° |
CA | CB | HB2 | HB3 | 119.7° | 120.0° |
CA | CB | CG | CD | 176.7° | 180.0° |
CA | CB | CG | HG2 | 64.0° | 60.1° |
CA | CB | CG | HG3 | 56.7° | 60.0° |
HA | CA | N | H | 141.9° | 180.0° |
HA | CA | N | H2 | 21.9° | 66.3° |
HA | CA | CB | CG | 51.6° | 55.1° |
HA | CA | CB | HB2 | 171.1° | 175.0° |
HA | CA | CB | HB3 | 68.4° | 64.9° |
CG | CB | HB2 | HB3 | 119.7° | 120.0° |
CB | CG | CD | HG2 | 119.3° | 120.0° |
CB | CG | CD | HG3 | 120.0° | 120.0° |
CB | CG | HG2 | HG3 | 119.6° | 120.1° |
CB | CG | CD | CE | 177.8° | 180.0° |
CB | CG | CD | HD2 | 57.9° | 60.1° |
CB | CG | CD | HD3 | 62.2° | 60.0° |
HB2 | CB | CG | CD | 57.2° | 60.0° |
HB2 | CB | CG | HG2 | 176.5° | 180.0° |
HB2 | CB | CG | HG3 | 62.8° | 60.0° |
HB3 | CB | CG | CD | 63.3° | 60.0° |
HB3 | CB | CG | HG2 | 56.0° | 60.0° |
HB3 | CB | CG | HG3 | 176.7° | 180.0° |
CD | CG | HG2 | HG3 | 119.5° | 120.0° |
CG | CD | CE | HD2 | 119.8° | 119.9° |
CG | CD | CE | HD3 | 120.0° | 120.0° |
CG | CD | HD2 | HD3 | 119.9° | 120.0° |
CG | CD | CE | NZ | 63.4° | 180.0° |
CG | CD | CE | HE2 | 176.5° | 60.0° |
CG | CD | CE | HE3 | 56.6° | 60.0° |
HG2 | CG | CD | CE | 62.9° | 60.0° |
HG2 | CG | CD | HD2 | 177.2° | 180.0° |
HG2 | CG | CD | HD3 | 57.1° | 60.0° |
HG3 | CG | CD | CE | 57.8° | 60.0° |
HG3 | CG | CD | HD2 | 62.1° | 60.0° |
HG3 | CG | CD | HD3 | 177.8° | 180.0° |
CE | CD | HD2 | HD3 | 119.9° | 120.0° |
CD | CE | NZ | HE2 | 120.1° | 120.0° |
CD | CE | NZ | HE3 | 120.0° | 120.0° |
CD | CE | HE2 | HE3 | 120.1° | 120.0° |
CD | CE | NZ | P | 167.3° | 135.0° |
CD | CE | NZ | HZ | 72.7° | 111.3° |
HD2 | CD | CE | NZ | 56.5° | 60.1° |
HD2 | CD | CE | HE2 | 63.6° | 180.0° |
HD2 | CD | CE | HE3 | 176.5° | 60.0° |
HD3 | CD | CE | NZ | 176.6° | 60.0° |
HD3 | CD | CE | HE2 | 56.5° | 60.0° |
HD3 | CD | CE | HE3 | 63.4° | 180.0° |
NZ | CE | HE2 | HE3 | 120.1° | 120.0° |
CE | NZ | P | HZ | 120.0° | 113.8° |
CE | NZ | P | O1P | 175.8° | 180.0° |
CE | NZ | P | O2P | 44.0° | 60.0° |
CE | NZ | P | O5' | 65.5° | 60.0° |
HE2 | CE | NZ | P | 72.6° | 15.0° |
HE2 | CE | NZ | HZ | 47.4° | 128.7° |
HE3 | CE | NZ | P | 47.3° | 105.0° |
HE3 | CE | NZ | HZ | 167.3° | 8.8° |
NZ | P | O1P | O2P | 126.0° | 120.0° |
NZ | P | O1P | O5' | 110.5° | 120.0° |
NZ | P | O2P | O5' | 105.2° | 120.0° |
NZ | P | O2P | HO2P | 45.0° | 60.0° |
NZ | P | O5' | C5' | 86.3° | 70.0° |
HZ | NZ | P | O1P | 55.8° | 66.2° |
HZ | NZ | P | O2P | 76.0° | 53.8° |
HZ | NZ | P | O5' | 174.5° | 173.8° |
O1P | P | O2P | O5' | 127.0° | 120.0° |
O1P | P | O2P | HO2P | 82.8° | 180.0° |
O1P | P | O5' | C5' | 31.7° | 50.0° |
O2P | P | O5' | C5' | 162.4° | 170.0° |
O5' | P | O2P | HO2P | 150.2° | 60.0° |
P | O5' | C5' | C4' | 153.8° | 180.0° |
P | O5' | C5' | H5'1 | 87.6° | 60.0° |
P | O5' | C5' | H5'2 | 33.8° | 60.1° |
O5' | C5' | C4' | H5'1 | 118.6° | 120.0° |
O5' | C5' | C4' | H5'2 | 120.0° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 119.1° | 120.1° |
O5' | C5' | C4' | O4' | 151.7° | 66.7° |
O5' | C5' | C4' | C3' | 39.8° | 175.3° |
O5' | C5' | C4' | H4' | 83.0° | 54.3° |
C4' | C5' | H5'1 | H5'2 | 119.1° | 119.9° |
C5' | C4' | O4' | C3' | 115.1° | 119.5° |
C5' | C4' | O4' | H4' | 122.8° | 121.0° |
C5' | C4' | C3' | H4' | 123.5° | 121.0° |
C5' | C4' | O4' | C1' | 132.4° | 145.9° |
C5' | C4' | C3' | O3' | 109.8° | 119.8° |
C5' | C4' | C3' | C2' | 144.6° | 121.4° |
C5' | C4' | C3' | H3' | 16.9° | 2.8° |
H5'1 | C5' | C4' | O4' | 33.0° | 53.3° |
H5'1 | C5' | C4' | C3' | 78.9° | 64.7° |
H5'1 | C5' | C4' | H4' | 158.4° | 174.3° |
H5'2 | C5' | C4' | O4' | 88.3° | 173.3° |
H5'2 | C5' | C4' | C3' | 159.8° | 55.3° |
H5'2 | C5' | C4' | H4' | 37.0° | 65.7° |
O4' | C4' | C3' | H4' | 125.5° | 119.4° |
O4' | C4' | C3' | O3' | 139.3° | 120.6° |
O4' | C4' | C3' | C2' | 33.6° | 1.9° |
O4' | C4' | C3' | H3' | 94.0° | 116.7° |
C4' | O4' | C1' | C2' | 5.4° | 40.0° |
C4' | O4' | C1' | N9 | 118.5° | 158.7° |
C4' | O4' | C1' | H1' | 124.0° | 78.5° |
C3' | C4' | O4' | C1' | 17.4° | 26.4° |
C4' | C3' | O3' | C2' | 107.6° | 114.7° |
C4' | C3' | O3' | H3' | 125.3° | 122.7° |
C4' | C3' | C2' | H3' | 124.7° | 118.6° |
C4' | C3' | O3' | HO3' | 108.2° | 176.2° |
C4' | C3' | C2' | O2' | 75.8° | 139.2° |
C4' | C3' | C2' | C1' | 35.9° | 21.0° |
C4' | C3' | C2' | H2' | 160.6° | 97.3° |
H4' | C4' | O4' | C1' | 104.8° | 93.1° |
H4' | C4' | C3' | O3' | 13.8° | 1.2° |
H4' | C4' | C3' | C2' | 91.9° | 117.5° |
H4' | C4' | C3' | H3' | 140.5° | 123.9° |
O4' | C1' | C2' | C3' | 26.1° | 37.1° |
O4' | C1' | C2' | O2' | 84.7° | 155.2° |
O4' | C1' | C2' | N9 | 120.3° | 118.6° |
O4' | C1' | C2' | H1' | 122.4° | 118.5° |
O4' | C1' | C2' | H2' | 151.5° | 81.2° |
O4' | C1' | N9 | H1' | 122.3° | 122.8° |
O4' | C1' | N9 | C8 | 14.2° | 23.6° |
O4' | C1' | N9 | C4 | 170.2° | 156.8° |
O3' | C3' | C2' | H3' | 125.6° | 122.5° |
O3' | C3' | C2' | O2' | 33.9° | 20.3° |
O3' | C3' | C2' | C1' | 145.7° | 97.9° |
O3' | C3' | C2' | H2' | 89.7° | 143.8° |
C2' | C3' | O3' | HO3' | 144.2° | 61.4° |
C3' | C2' | O2' | C1' | 108.7° | 112.7° |
C3' | C2' | O2' | H2' | 125.9° | 123.6° |
C3' | C2' | C1' | H2' | 125.4° | 118.2° |
C3' | C2' | O2' | HO2' | 7.9° | 67.3° |
C3' | C2' | C1' | N9 | 94.2° | 155.6° |
C3' | C2' | C1' | H1' | 148.4° | 81.4° |
H3' | C3' | O3' | HO3' | 17.1° | 61.1° |
H3' | C3' | C2' | O2' | 159.4° | 102.2° |
H3' | C3' | C2' | C1' | 88.8° | 139.6° |
H3' | C3' | C2' | H2' | 35.9° | 21.3° |
O2' | C2' | C1' | H2' | 123.8° | 123.6° |
O2' | C2' | C1' | N9 | 155.0° | 86.2° |
O2' | C2' | C1' | H1' | 37.7° | 36.8° |
C1' | C2' | O2' | HO2' | 100.8° | 180.0° |
C2' | C1' | N9 | H1' | 118.4° | 123.1° |
C2' | C1' | N9 | C8 | 133.5° | 90.6° |
C2' | C1' | N9 | C4 | 50.9° | 89.1° |
H2' | C2' | O2' | HO2' | 133.8° | 56.3° |
H2' | C2' | C1' | N9 | 31.2° | 37.4° |
H2' | C2' | C1' | H1' | 86.1° | 160.4° |
C1' | N9 | C8 | C4 | 176.3° | 179.7° |
C1' | N9 | C8 | N7 | 176.4° | 179.9° |
C1' | N9 | C8 | H8 | 3.6° | 0.0° |
C1' | N9 | C4 | C5 | 176.7° | 179.9° |
C1' | N9 | C4 | N3 | 2.5° | 0.8° |
H1' | C1' | N9 | C8 | 108.1° | 146.4° |
H1' | C1' | N9 | C4 | 67.5° | 34.0° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.4° | 0.0° |
C8 | N9 | C4 | C5 | 0.6° | 0.4° |
C8 | N9 | C4 | N3 | 178.6° | 179.5° |
C4 | N9 | C8 | N7 | 0.1° | 0.2° |
C4 | N9 | C8 | H8 | 179.9° | 179.7° |
N9 | C4 | C5 | N7 | 0.8° | 0.4° |
N9 | C4 | C5 | N3 | 179.3° | 179.3° |
N9 | C4 | C5 | C6 | 179.6° | 179.8° |
N9 | C4 | N3 | C2 | 178.9° | 179.5° |
C8 | N7 | C5 | C4 | 0.8° | 0.3° |
C8 | N7 | C5 | C6 | 179.8° | 180.0° |
H8 | C8 | N7 | C5 | 179.6° | 180.0° |
N7 | C5 | C4 | C6 | 179.5° | 179.8° |
N7 | C5 | C4 | N3 | 178.5° | 179.7° |
N7 | C5 | C6 | N1 | 179.5° | 180.0° |
N7 | C5 | C6 | N6 | 0.0° | 0.0° |
C5 | C4 | N3 | C2 | 1.9° | 0.5° |
C4 | C5 | C6 | N1 | 0.1° | 0.3° |
C4 | C5 | C6 | N6 | 179.3° | 179.7° |
C6 | C5 | C4 | N3 | 1.0° | 0.5° |
C5 | C6 | N1 | C2 | 0.3° | 0.0° |
C5 | C6 | N1 | N6 | 179.4° | 180.0° |
C5 | C6 | N6 | HN61 | 179.7° | 0.0° |
C5 | C6 | N6 | HN62 | 0.3° | 180.0° |
C4 | N3 | C2 | N1 | 1.8° | 0.3° |
C4 | N3 | C2 | HC2 | 178.2° | 179.7° |
N3 | C2 | N1 | HC2 | 180.0° | 180.0° |
N3 | C2 | N1 | C6 | 0.7° | 0.0° |
C2 | N1 | C6 | N6 | 179.1° | 180.0° |
HC2 | C2 | N1 | C6 | 179.3° | 180.0° |
N1 | C6 | N6 | HN61 | 0.3° | 180.0° |
N1 | C6 | N6 | HN62 | 179.7° | 0.0° |
C6 | N6 | HN61 | HN62 | 180.0° | 180.0° |