5CA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.46Å | |
N | H | sing | 1.01Å | 1.02Å | |
N | HN2 | sing | 1.01Å | 1.02Å | |
CA | CB | sing | 1.53Å | 1.51Å | |
CA | C | sing | 1.51Å | 1.50Å | |
CA | HA | sing | 1.09Å | 1.12Å | |
CB | SG | sing | 1.81Å | 1.79Å | |
CB | HB1 | sing | 1.09Å | 1.11Å | |
CB | HB2 | sing | 1.09Å | 1.12Å | |
SG | HG | sing | 1.34Å | 0.95Å | |
C | O | doub | 1.21Å | 1.21Å | |
C | N3S | sing | 1.35Å | 1.37Å | |
N3S | S | sing | 1.66Å | 1.61Å | |
N3S | H3S | sing | 0.97Å | 1.02Å | |
S | O1S | doub | 1.42Å | 1.47Å | |
S | O2S | doub | 1.42Å | 1.50Å | |
S | O5' | sing | 1.52Å | 1.60Å | |
O5' | C5' | sing | 1.43Å | 1.44Å | |
C5' | C4' | sing | 1.53Å | 1.51Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C3' | sing | 1.54Å | 1.51Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | H3T | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.41Å | |
C2' | C1' | sing | 1.55Å | 1.52Å | |
C2' | H2' | sing | 1.09Å | 1.12Å | |
O2' | HO'2 | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.46Å | 1.49Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
C5 | C6 | doub | 1.41Å | 1.44Å | Aromatic |
C5 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.33Å | |
C6 | N1 | sing | 1.33Å | 1.37Å | Aromatic |
N6 | H61 | sing | 0.97Å | 1.02Å | |
N6 | H62 | sing | 0.97Å | 1.02Å | |
N1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
C2 | N3 | sing | 1.32Å | 1.36Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N3 | C4 | doub | 1.33Å | 1.37Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 111.5° | 106.7° |
CA | N | HN2 | 111.4° | 106.7° |
N | CA | CB | 111.4° | 109.5° |
N | CA | C | 108.4° | 109.4° |
N | CA | HA | 108.5° | 109.4° |
H | N | HN2 | 111.5° | 106.7° |
CB | CA | C | 108.1° | 109.5° |
CB | CA | HA | 108.7° | 109.5° |
CA | CB | SG | 111.3° | 109.5° |
CA | CB | HB1 | 111.6° | 109.5° |
CA | CB | HB2 | 111.5° | 109.5° |
C | CA | HA | 111.7° | 109.5° |
CA | C | O | 125.9° | 120.0° |
CA | C | N3S | 110.8° | 120.0° |
SG | CB | HB1 | 111.5° | 109.5° |
SG | CB | HB2 | 111.5° | 109.5° |
CB | SG | HG | 111.3° | 100.0° |
HB1 | CB | HB2 | 98.8° | 109.5° |
O | C | N3S | 118.5° | 120.0° |
C | N3S | S | 126.2° | 120.0° |
C | N3S | H3S | 107.9° | 120.0° |
S | N3S | H3S | 125.9° | 120.0° |
N3S | S | O1S | 109.7° | 105.8° |
N3S | S | O2S | 103.7° | 105.8° |
N3S | S | O5' | 107.7° | 107.4° |
O1S | S | O2S | 117.6° | 125.3° |
O1S | S | O5' | 109.3° | 105.8° |
O2S | S | O5' | 108.3° | 105.8° |
S | O5' | C5' | 121.6° | 106.8° |
O5' | C5' | C4' | 111.7° | 109.4° |
O5' | C5' | H5'1 | 111.4° | 109.5° |
O5' | C5' | H5'2 | 111.4° | 109.5° |
C4' | C5' | H5'1 | 111.4° | 109.5° |
C4' | C5' | H5'2 | 111.4° | 109.4° |
C5' | C4' | O4' | 110.7° | 109.9° |
C5' | C4' | C3' | 115.1° | 109.9° |
C5' | C4' | H4' | 103.3° | 109.9° |
H5'1 | C5' | H5'2 | 99.0° | 109.6° |
O4' | C4' | C3' | 105.1° | 107.4° |
O4' | C4' | H4' | 113.7° | 109.8° |
C4' | O4' | C1' | 110.6° | 106.9° |
C3' | C4' | H4' | 109.2° | 109.9° |
C4' | C3' | O3' | 109.3° | 110.8° |
C4' | C3' | C2' | 104.3° | 104.0° |
C4' | C3' | H3' | 114.5° | 110.5° |
O4' | C1' | C2' | 107.7° | 103.5° |
O4' | C1' | N9 | 108.0° | 110.6° |
O4' | C1' | H1' | 114.2° | 110.6° |
O3' | C3' | C2' | 113.6° | 110.5° |
O3' | C3' | H3' | 105.3° | 110.4° |
C3' | O3' | H3T | 109.3° | 106.8° |
C2' | C3' | H3' | 110.2° | 110.5° |
C3' | C2' | O2' | 113.2° | 110.9° |
C3' | C2' | C1' | 103.8° | 102.1° |
C3' | C2' | H2' | 111.2° | 111.0° |
O2' | C2' | C1' | 110.7° | 110.9° |
O2' | C2' | H2' | 104.4° | 110.8° |
C2' | O2' | HO'2 | 113.3° | 106.8° |
C1' | C2' | H2' | 113.7° | 110.9° |
C2' | C1' | N9 | 116.2° | 110.8° |
C2' | C1' | H1' | 105.6° | 110.6° |
N9 | C1' | H1' | 105.3° | 110.5° |
C1' | N9 | C8 | 129.5° | 126.2° |
C1' | N9 | C4 | 125.0° | 126.3° |
C8 | N9 | C4 | 105.5° | 107.5° |
N9 | C8 | N7 | 113.7° | 110.0° |
N9 | C8 | H8 | 125.1° | 125.0° |
N9 | C4 | C5 | 105.8° | 106.0° |
N9 | C4 | N3 | 127.5° | 134.9° |
N7 | C8 | H8 | 121.2° | 125.0° |
C8 | N7 | C5 | 104.3° | 109.4° |
N7 | C5 | C6 | 133.1° | 134.7° |
N7 | C5 | C4 | 110.7° | 107.2° |
C6 | C5 | C4 | 116.2° | 118.1° |
C5 | C6 | N6 | 123.6° | 120.7° |
C5 | C6 | N1 | 118.5° | 118.5° |
C5 | C4 | N3 | 126.6° | 119.1° |
N6 | C6 | N1 | 117.8° | 120.8° |
C6 | N6 | H61 | 107.2° | 120.0° |
C6 | N6 | H62 | 123.6° | 120.0° |
C6 | N1 | C2 | 118.9° | 121.2° |
H61 | N6 | H62 | 107.2° | 120.0° |
N1 | C2 | N3 | 127.6° | 122.4° |
N1 | C2 | H2 | 116.3° | 118.8° |
N3 | C2 | H2 | 116.1° | 118.8° |
C2 | N3 | C4 | 112.1° | 120.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | HN2 | 125.2° | 113.8° |
N | CA | CB | C | 119.0° | 120.0° |
N | CA | CB | HA | 119.5° | 119.9° |
N | CA | C | HA | 119.5° | 120.0° |
N | CA | CB | SG | 36.8° | 60.0° |
N | CA | CB | HB1 | 88.5° | 60.0° |
N | CA | CB | HB2 | 162.0° | 180.0° |
N | CA | C | O | 1.4° | 20.0° |
N | CA | C | N3S | 156.1° | 160.0° |
H | N | CA | CB | 54.7° | 60.0° |
H | N | CA | C | 173.6° | 60.0° |
H | N | CA | HA | 64.9° | 180.0° |
HN2 | N | CA | CB | 180.0° | 53.8° |
HN2 | N | CA | C | 61.1° | 173.8° |
HN2 | N | CA | HA | 60.3° | 66.2° |
CB | CA | C | HA | 119.6° | 120.0° |
CA | CB | SG | HB1 | 125.3° | 120.0° |
CA | CB | SG | HB2 | 125.3° | 120.0° |
CA | CB | HB1 | HB2 | 117.4° | 120.0° |
CA | CB | SG | HG | 180.0° | 180.0° |
CB | CA | C | O | 122.3° | 100.0° |
CB | CA | C | N3S | 83.0° | 80.0° |
C | CA | CB | SG | 82.2° | 180.0° |
C | CA | CB | HB1 | 152.5° | 60.0° |
C | CA | CB | HB2 | 43.0° | 60.0° |
CA | C | O | N3S | 153.0° | 180.0° |
CA | C | N3S | S | 168.6° | 180.0° |
CA | C | N3S | H3S | 11.4° | 0.0° |
HA | CA | CB | SG | 156.3° | 60.0° |
HA | CA | CB | HB1 | 31.0° | 179.9° |
HA | CA | CB | HB2 | 78.5° | 60.0° |
HA | CA | C | O | 118.1° | 140.0° |
HA | CA | C | N3S | 36.7° | 40.0° |
SG | CB | HB1 | HB2 | 117.4° | 120.0° |
HB1 | CB | SG | HG | 54.7° | 60.0° |
HB2 | CB | SG | HG | 54.7° | 60.0° |
O | C | N3S | S | 11.8° | 0.0° |
O | C | N3S | H3S | 168.2° | 180.0° |
C | N3S | S | H3S | 180.0° | 180.0° |
C | N3S | S | O1S | 53.8° | 177.6° |
C | N3S | S | O2S | 179.8° | 47.6° |
C | N3S | S | O5' | 65.0° | 65.0° |
N3S | S | O1S | O2S | 118.1° | 123.1° |
N3S | S | O1S | O5' | 117.9° | 113.8° |
N3S | S | O2S | O5' | 114.3° | 113.8° |
N3S | S | O5' | C5' | 45.0° | 75.0° |
H3S | N3S | S | O1S | 126.2° | 2.4° |
H3S | N3S | S | O2S | 0.2° | 132.4° |
H3S | N3S | S | O5' | 114.9° | 115.0° |
O1S | S | O2S | O5' | 124.4° | 123.1° |
O1S | S | O5' | C5' | 164.1° | 37.6° |
O2S | S | O5' | C5' | 66.7° | 172.4° |
S | O5' | C5' | C4' | 129.2° | 180.0° |
S | O5' | C5' | H5'1 | 105.6° | 60.0° |
S | O5' | C5' | H5'2 | 3.9° | 60.1° |
O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 117.3° | 120.0° |
O5' | C5' | C4' | O4' | 65.9° | 66.7° |
O5' | C5' | C4' | C3' | 53.1° | 175.3° |
O5' | C5' | C4' | H4' | 172.0° | 54.3° |
C4' | C5' | H5'1 | H5'2 | 117.3° | 120.0° |
C5' | C4' | O4' | C3' | 124.9° | 119.5° |
C5' | C4' | O4' | H4' | 115.8° | 121.0° |
C5' | C4' | C3' | H4' | 115.6° | 121.0° |
C5' | C4' | O4' | C1' | 143.6° | 145.9° |
C5' | C4' | C3' | O3' | 87.8° | 119.9° |
C5' | C4' | C3' | C2' | 150.5° | 121.4° |
C5' | C4' | C3' | H3' | 30.0° | 2.8° |
H5'1 | C5' | C4' | O4' | 59.3° | 53.3° |
H5'1 | C5' | C4' | C3' | 178.3° | 64.7° |
H5'1 | C5' | C4' | H4' | 62.7° | 174.2° |
H5'2 | C5' | C4' | O4' | 168.8° | 173.4° |
H5'2 | C5' | C4' | C3' | 72.2° | 55.4° |
H5'2 | C5' | C4' | H4' | 46.7° | 65.7° |
O4' | C4' | C3' | H4' | 122.3° | 119.5° |
O4' | C4' | C3' | O3' | 150.1° | 120.6° |
O4' | C4' | C3' | C2' | 28.4° | 1.9° |
O4' | C4' | C3' | H3' | 92.1° | 116.7° |
C4' | O4' | C1' | C2' | 1.2° | 40.0° |
C4' | O4' | C1' | N9 | 127.4° | 158.7° |
C4' | O4' | C1' | H1' | 115.8° | 78.5° |
C3' | C4' | O4' | C1' | 18.7° | 26.4° |
C4' | C3' | O3' | C2' | 115.9° | 114.8° |
C4' | C3' | O3' | H3' | 123.4° | 122.7° |
C4' | C3' | C2' | H3' | 123.3° | 118.6° |
C4' | C3' | O3' | H3T | 180.0° | 176.2° |
C4' | C3' | C2' | O2' | 92.8° | 139.2° |
C4' | C3' | C2' | C1' | 27.3° | 21.0° |
C4' | C3' | C2' | H2' | 150.0° | 97.2° |
H4' | C4' | O4' | C1' | 100.6° | 93.1° |
H4' | C4' | C3' | O3' | 27.8° | 1.2° |
H4' | C4' | C3' | C2' | 93.9° | 117.6° |
H4' | C4' | C3' | H3' | 145.6° | 123.9° |
O4' | C1' | C2' | C3' | 16.7° | 37.1° |
O4' | C1' | C2' | O2' | 105.1° | 155.2° |
O4' | C1' | C2' | N9 | 121.3° | 118.6° |
O4' | C1' | C2' | H1' | 122.4° | 118.5° |
O4' | C1' | C2' | H2' | 137.7° | 81.2° |
O4' | C1' | N9 | H1' | 122.4° | 122.8° |
O4' | C1' | N9 | C8 | 60.6° | 23.6° |
O4' | C1' | N9 | C4 | 118.7° | 156.7° |
O3' | C3' | C2' | H3' | 117.8° | 122.5° |
O3' | C3' | C2' | O2' | 26.1° | 20.2° |
O3' | C3' | C2' | C1' | 146.2° | 97.9° |
O3' | C3' | C2' | H2' | 91.1° | 143.8° |
C2' | C3' | O3' | H3T | 64.0° | 61.5° |
C3' | C2' | O2' | C1' | 116.1° | 112.7° |
C3' | C2' | O2' | H2' | 121.1° | 123.7° |
C3' | C2' | C1' | H2' | 121.0° | 118.3° |
C3' | C2' | O2' | HO'2 | 180.0° | 67.3° |
C3' | C2' | C1' | N9 | 104.6° | 155.7° |
C3' | C2' | C1' | H1' | 139.1° | 81.4° |
H3' | C3' | O3' | H3T | 56.6° | 61.0° |
H3' | C3' | C2' | O2' | 143.9° | 102.3° |
H3' | C3' | C2' | C1' | 96.0° | 139.6° |
H3' | C3' | C2' | H2' | 26.7° | 21.3° |
O2' | C2' | C1' | H2' | 117.2° | 123.5° |
O2' | C2' | C1' | N9 | 133.6° | 86.1° |
O2' | C2' | C1' | H1' | 17.3° | 36.7° |
C1' | C2' | O2' | HO'2 | 63.9° | 180.0° |
C2' | C1' | N9 | H1' | 116.5° | 123.0° |
C2' | C1' | N9 | C8 | 60.5° | 90.6° |
C2' | C1' | N9 | C4 | 120.1° | 89.1° |
H2' | C2' | O2' | HO'2 | 58.9° | 56.4° |
H2' | C2' | C1' | N9 | 16.4° | 37.4° |
H2' | C2' | C1' | H1' | 99.9° | 160.3° |
C1' | N9 | C8 | C4 | 179.5° | 179.7° |
C1' | N9 | C8 | N7 | 179.3° | 179.9° |
C1' | N9 | C8 | H8 | 0.7° | 0.0° |
C1' | N9 | C4 | C5 | 179.3° | 179.9° |
C1' | N9 | C4 | N3 | 0.4° | 0.8° |
H1' | C1' | N9 | C8 | 177.0° | 146.5° |
H1' | C1' | N9 | C4 | 3.6° | 33.9° |
N9 | C8 | N7 | H8 | 180.0° | 179.9° |
N9 | C8 | N7 | C5 | 0.0° | 0.0° |
C8 | N9 | C4 | C5 | 0.2° | 0.4° |
C8 | N9 | C4 | N3 | 179.9° | 179.5° |
C4 | N9 | C8 | N7 | 0.1° | 0.2° |
C4 | N9 | C8 | H8 | 179.9° | 179.7° |
N9 | C4 | C5 | N7 | 0.2° | 0.4° |
N9 | C4 | C5 | C6 | 179.7° | 179.8° |
N9 | C4 | C5 | N3 | 179.7° | 179.3° |
N9 | C4 | N3 | C2 | 179.8° | 179.6° |
C8 | N7 | C5 | C6 | 179.8° | 180.0° |
C8 | N7 | C5 | C4 | 0.1° | 0.2° |
H8 | C8 | N7 | C5 | 180.0° | 179.9° |
N7 | C5 | C6 | C4 | 179.9° | 179.8° |
N7 | C5 | C6 | N6 | 0.0° | 0.0° |
N7 | C5 | C6 | N1 | 180.0° | 180.0° |
N7 | C5 | C4 | N3 | 179.9° | 179.7° |
C5 | C6 | N6 | N1 | 180.0° | 180.0° |
C5 | C6 | N6 | H61 | 54.7° | 0.1° |
C5 | C6 | N6 | H62 | 180.0° | 179.9° |
C5 | C6 | N1 | C2 | 0.1° | 0.0° |
C6 | C5 | C4 | N3 | 0.0° | 0.5° |
C4 | C5 | C6 | N6 | 179.8° | 179.7° |
C4 | C5 | C6 | N1 | 0.1° | 0.2° |
C5 | C4 | N3 | C2 | 0.1° | 0.5° |
C6 | N6 | H61 | H62 | 134.6° | 179.9° |
N6 | C6 | N1 | C2 | 179.9° | 180.0° |
N1 | C6 | N6 | H61 | 125.3° | 179.9° |
N1 | C6 | N6 | H62 | 0.0° | 0.0° |
C6 | N1 | C2 | N3 | 0.0° | 0.0° |
C6 | N1 | C2 | H2 | 180.0° | 180.0° |
N1 | C2 | N3 | H2 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.1° | 0.3° |
H2 | C2 | N3 | C4 | 179.9° | 179.7° |