SSA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N10 | CA | sing | 1.47Å | 1.44Å | |
N10 | HN11 | sing | 1.01Å | 1.02Å | |
N10 | HN12 | sing | 1.01Å | 1.02Å | |
CA | CB | sing | 1.53Å | 1.52Å | |
CA | C9 | sing | 1.51Å | 1.50Å | |
CA | HA | sing | 1.09Å | 1.11Å | |
CB | OG | sing | 1.43Å | 1.44Å | |
CB | HB1 | sing | 1.09Å | 1.11Å | |
CB | HB2 | sing | 1.09Å | 1.11Å | |
OG | HOG | sing | 0.97Å | 0.95Å | |
C9 | O9 | doub | 1.21Å | 1.23Å | |
C9 | N8 | sing | 1.35Å | 1.30Å | |
N8 | S1 | sing | 1.65Å | 1.61Å | |
N8 | HN8 | sing | 0.97Å | 1.02Å | |
S1 | O1S | doub | 1.42Å | 1.44Å | |
S1 | O2S | doub | 1.42Å | 1.43Å | |
S1 | O5' | sing | 1.52Å | 1.55Å | |
O5' | C5' | sing | 1.43Å | 1.45Å | |
C5' | C4' | sing | 1.53Å | 1.54Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C3' | sing | 1.54Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.45Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | C2' | sing | 1.55Å | 1.51Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C1' | sing | 1.55Å | 1.54Å | |
C2' | H2' | sing | 1.09Å | 1.12Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.46Å | 1.49Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.31Å | |
C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
N6 | HN61 | sing | 0.97Å | 1.02Å | |
N6 | HN62 | sing | 0.97Å | 1.02Å | |
N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N3 | C4 | sing | 1.33Å | 1.37Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N10 | HN11 | 111.8° | 106.7° |
CA | N10 | HN12 | 111.4° | 106.7° |
N10 | CA | CB | 111.8° | 109.5° |
N10 | CA | C9 | 102.2° | 109.5° |
N10 | CA | HA | 112.7° | 109.5° |
HN11 | N10 | HN12 | 111.4° | 106.7° |
CB | CA | C9 | 109.6° | 109.5° |
CB | CA | HA | 105.8° | 109.5° |
CA | CB | OG | 113.3° | 109.5° |
CA | CB | HB1 | 110.8° | 109.5° |
CA | CB | HB2 | 110.8° | 109.5° |
C9 | CA | HA | 114.8° | 109.4° |
CA | C9 | O9 | 122.4° | 119.9° |
CA | C9 | N8 | 111.4° | 120.1° |
OG | CB | HB1 | 110.8° | 109.5° |
OG | CB | HB2 | 110.8° | 109.5° |
CB | OG | HOG | 113.3° | 106.8° |
HB1 | CB | HB2 | 99.6° | 109.4° |
O9 | C9 | N8 | 126.1° | 120.0° |
C9 | N8 | S1 | 124.4° | 120.0° |
C9 | N8 | HN8 | 106.5° | 120.0° |
S1 | N8 | HN8 | 129.1° | 120.0° |
N8 | S1 | O1S | 108.6° | 105.8° |
N8 | S1 | O2S | 105.3° | 105.8° |
N8 | S1 | O5' | 111.1° | 107.4° |
O1S | S1 | O2S | 111.6° | 125.4° |
O1S | S1 | O5' | 114.2° | 105.8° |
O2S | S1 | O5' | 105.5° | 105.7° |
S1 | O5' | C5' | 118.4° | 106.8° |
O5' | C5' | C4' | 109.6° | 109.5° |
O5' | C5' | H5'1 | 112.2° | 109.5° |
O5' | C5' | H5'2 | 112.1° | 109.5° |
C4' | C5' | H5'1 | 112.2° | 109.5° |
C4' | C5' | H5'2 | 112.2° | 109.5° |
C5' | C4' | O4' | 118.1° | 109.8° |
C5' | C4' | C3' | 108.0° | 109.9° |
C5' | C4' | H4' | 102.9° | 109.8° |
H5'1 | C5' | H5'2 | 98.3° | 109.4° |
O4' | C4' | C3' | 103.4° | 107.5° |
O4' | C4' | H4' | 107.4° | 109.9° |
C4' | O4' | C1' | 108.2° | 106.9° |
C3' | C4' | H4' | 117.7° | 109.9° |
C4' | C3' | O3' | 105.6° | 110.8° |
C4' | C3' | C2' | 102.7° | 104.0° |
C4' | C3' | H3' | 117.0° | 110.5° |
O4' | C1' | C2' | 107.5° | 103.5° |
O4' | C1' | N9 | 113.8° | 110.6° |
O4' | C1' | H1' | 108.8° | 110.6° |
O3' | C3' | C2' | 112.3° | 110.5° |
O3' | C3' | H3' | 108.2° | 110.4° |
C3' | O3' | HO3' | 105.6° | 106.8° |
C2' | C3' | H3' | 110.8° | 110.5° |
C3' | C2' | O2' | 108.7° | 110.9° |
C3' | C2' | C1' | 99.1° | 102.1° |
C3' | C2' | H2' | 116.1° | 110.9° |
O2' | C2' | C1' | 108.5° | 110.9° |
O2' | C2' | H2' | 107.8° | 110.8° |
C2' | O2' | HO2' | 108.7° | 106.8° |
C1' | C2' | H2' | 116.1° | 110.9° |
C2' | C1' | N9 | 112.0° | 110.8° |
C2' | C1' | H1' | 110.7° | 110.6° |
N9 | C1' | H1' | 103.9° | 110.6° |
C1' | N9 | C8 | 130.4° | 126.3° |
C1' | N9 | C4 | 124.5° | 126.3° |
C8 | N9 | C4 | 104.5° | 107.4° |
N9 | C8 | N7 | 114.5° | 110.0° |
N9 | C8 | H8 | 125.3° | 125.1° |
N9 | C4 | C5 | 106.5° | 106.0° |
N9 | C4 | N3 | 126.3° | 134.9° |
N7 | C8 | H8 | 120.2° | 124.9° |
C8 | N7 | C5 | 103.6° | 109.4° |
N7 | C5 | C6 | 132.8° | 134.6° |
N7 | C5 | C4 | 110.6° | 107.2° |
C6 | C5 | C4 | 116.6° | 118.2° |
C5 | C6 | N6 | 123.3° | 120.8° |
C5 | C6 | N1 | 117.8° | 118.4° |
C5 | C4 | N3 | 127.1° | 119.0° |
N6 | C6 | N1 | 118.9° | 120.8° |
C6 | N6 | HN61 | 123.3° | 120.0° |
C6 | N6 | HN62 | 107.4° | 120.1° |
C6 | N1 | C2 | 119.5° | 121.2° |
HN61 | N6 | HN62 | 107.2° | 119.9° |
N1 | C2 | N3 | 129.1° | 122.4° |
N1 | C2 | H2 | 115.7° | 118.7° |
N3 | C2 | H2 | 115.2° | 118.9° |
C2 | N3 | C4 | 109.5° | 120.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N10 | HN11 | HN12 | 125.4° | 113.8° |
N10 | CA | CB | C9 | 112.6° | 120.0° |
N10 | CA | CB | HA | 123.1° | 120.0° |
N10 | CA | C9 | HA | 122.4° | 120.0° |
N10 | CA | CB | OG | 59.4° | 60.0° |
N10 | CA | CB | HB1 | 175.4° | 60.0° |
N10 | CA | CB | HB2 | 65.8° | 180.0° |
N10 | CA | C9 | O9 | 11.6° | 30.1° |
N10 | CA | C9 | N8 | 171.0° | 150.0° |
HN11 | N10 | CA | CB | 179.9° | 53.8° |
HN11 | N10 | CA | C9 | 62.8° | 173.8° |
HN11 | N10 | CA | HA | 61.0° | 66.3° |
HN12 | N10 | CA | CB | 54.7° | 60.0° |
HN12 | N10 | CA | C9 | 171.8° | 60.0° |
HN12 | N10 | CA | HA | 64.4° | 180.0° |
CB | CA | C9 | HA | 118.9° | 120.0° |
CA | CB | OG | HB1 | 125.2° | 120.1° |
CA | CB | OG | HB2 | 125.2° | 120.0° |
CA | CB | HB1 | HB2 | 116.7° | 120.0° |
CA | CB | OG | HOG | 180.0° | 180.0° |
CB | CA | C9 | O9 | 107.1° | 90.0° |
CB | CA | C9 | N8 | 70.3° | 90.0° |
C9 | CA | CB | OG | 53.2° | 180.0° |
C9 | CA | CB | HB1 | 72.0° | 60.0° |
C9 | CA | CB | HB2 | 178.4° | 60.0° |
CA | C9 | O9 | N8 | 177.0° | 179.9° |
CA | C9 | N8 | S1 | 165.9° | 180.0° |
CA | C9 | N8 | HN8 | 14.1° | 0.0° |
HA | CA | CB | OG | 177.5° | 60.0° |
HA | CA | CB | HB1 | 52.3° | 179.9° |
HA | CA | CB | HB2 | 57.2° | 60.0° |
HA | CA | C9 | O9 | 134.0° | 150.1° |
HA | CA | C9 | N8 | 48.6° | 30.0° |
OG | CB | HB1 | HB2 | 116.7° | 120.0° |
HB1 | CB | OG | HOG | 54.8° | 59.9° |
HB2 | CB | OG | HOG | 54.8° | 60.0° |
O9 | C9 | N8 | S1 | 11.4° | 0.0° |
O9 | C9 | N8 | HN8 | 168.6° | 179.9° |
C9 | N8 | S1 | HN8 | 180.0° | 180.0° |
C9 | N8 | S1 | O1S | 70.2° | 172.6° |
C9 | N8 | S1 | O2S | 170.1° | 52.6° |
C9 | N8 | S1 | O5' | 56.3° | 60.0° |
N8 | S1 | O1S | O2S | 115.7° | 123.2° |
N8 | S1 | O1S | O5' | 124.7° | 113.7° |
N8 | S1 | O2S | O5' | 117.6° | 113.7° |
N8 | S1 | O5' | C5' | 49.9° | 90.0° |
HN8 | N8 | S1 | O1S | 109.8° | 7.4° |
HN8 | N8 | S1 | O2S | 9.9° | 127.4° |
HN8 | N8 | S1 | O5' | 123.7° | 120.0° |
O1S | S1 | O2S | O5' | 124.7° | 123.1° |
O1S | S1 | O5' | C5' | 173.2° | 22.6° |
O2S | S1 | O5' | C5' | 63.8° | 157.4° |
S1 | O5' | C5' | C4' | 152.4° | 180.0° |
S1 | O5' | C5' | H5'1 | 27.2° | 59.9° |
S1 | O5' | C5' | H5'2 | 82.3° | 60.0° |
O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.2° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 118.0° | 120.0° |
O5' | C5' | C4' | O4' | 48.0° | 61.7° |
O5' | C5' | C4' | C3' | 68.8° | 179.7° |
O5' | C5' | C4' | H4' | 166.1° | 59.3° |
C4' | C5' | H5'1 | H5'2 | 118.1° | 119.9° |
C5' | C4' | O4' | C3' | 119.1° | 119.5° |
C5' | C4' | O4' | H4' | 115.7° | 120.9° |
C5' | C4' | C3' | H4' | 115.8° | 121.0° |
C5' | C4' | O4' | C1' | 141.1° | 146.0° |
C5' | C4' | C3' | O3' | 75.4° | 119.8° |
C5' | C4' | C3' | C2' | 166.7° | 121.4° |
C5' | C4' | C3' | H3' | 45.1° | 2.9° |
H5'1 | C5' | C4' | O4' | 173.2° | 58.3° |
H5'1 | C5' | C4' | C3' | 56.5° | 59.7° |
H5'1 | C5' | C4' | H4' | 68.7° | 179.3° |
H5'2 | C5' | C4' | O4' | 77.3° | 178.3° |
H5'2 | C5' | C4' | C3' | 166.0° | 60.2° |
H5'2 | C5' | C4' | H4' | 40.8° | 60.7° |
O4' | C4' | C3' | H4' | 118.2° | 119.6° |
O4' | C4' | C3' | O3' | 158.7° | 120.7° |
O4' | C4' | C3' | C2' | 40.8° | 2.0° |
O4' | C4' | C3' | H3' | 80.8° | 116.6° |
C4' | O4' | C1' | C2' | 4.7° | 40.1° |
C4' | O4' | C1' | N9 | 119.9° | 158.7° |
C4' | O4' | C1' | H1' | 124.7° | 78.4° |
C3' | C4' | O4' | C1' | 22.0° | 26.5° |
C4' | C3' | O3' | C2' | 111.2° | 114.7° |
C4' | C3' | O3' | H3' | 126.1° | 122.7° |
C4' | C3' | C2' | H3' | 125.8° | 118.6° |
C4' | C3' | O3' | HO3' | 180.0° | 176.2° |
C4' | C3' | C2' | O2' | 71.5° | 139.2° |
C4' | C3' | C2' | C1' | 41.7° | 21.0° |
C4' | C3' | C2' | H2' | 166.9° | 97.2° |
H4' | C4' | O4' | C1' | 103.2° | 93.1° |
H4' | C4' | C3' | O3' | 40.4° | 1.1° |
H4' | C4' | C3' | C2' | 77.5° | 117.6° |
H4' | C4' | C3' | H3' | 160.9° | 123.8° |
O4' | C1' | C2' | C3' | 29.3° | 37.1° |
O4' | C1' | C2' | O2' | 84.1° | 155.3° |
O4' | C1' | C2' | N9 | 125.7° | 118.6° |
O4' | C1' | C2' | H1' | 118.8° | 118.5° |
O4' | C1' | C2' | H2' | 154.4° | 81.1° |
O4' | C1' | N9 | H1' | 118.2° | 122.9° |
O4' | C1' | N9 | C8 | 32.7° | 28.5° |
O4' | C1' | N9 | C4 | 136.7° | 151.8° |
O3' | C3' | C2' | H3' | 121.2° | 122.5° |
O3' | C3' | C2' | O2' | 41.5° | 20.2° |
O3' | C3' | C2' | C1' | 154.8° | 98.0° |
O3' | C3' | C2' | H2' | 80.1° | 143.9° |
C2' | C3' | O3' | HO3' | 68.8° | 61.4° |
C3' | C2' | O2' | C1' | 106.9° | 112.7° |
C3' | C2' | O2' | H2' | 126.6° | 123.7° |
C3' | C2' | C1' | H2' | 125.1° | 118.2° |
C3' | C2' | O2' | HO2' | 180.0° | 67.3° |
C3' | C2' | C1' | N9 | 96.5° | 155.7° |
C3' | C2' | C1' | H1' | 148.0° | 81.4° |
H3' | C3' | O3' | HO3' | 53.9° | 61.1° |
H3' | C3' | C2' | O2' | 162.7° | 102.3° |
H3' | C3' | C2' | C1' | 84.0° | 139.5° |
H3' | C3' | C2' | H2' | 41.1° | 21.4° |
O2' | C2' | C1' | H2' | 121.6° | 123.6° |
O2' | C2' | C1' | N9 | 150.2° | 86.2° |
O2' | C2' | C1' | H1' | 34.7° | 36.8° |
C1' | C2' | O2' | HO2' | 73.1° | 180.0° |
C2' | C1' | N9 | H1' | 119.6° | 122.9° |
C2' | C1' | N9 | C8 | 89.5° | 85.6° |
C2' | C1' | N9 | C4 | 101.1° | 94.1° |
H2' | C2' | O2' | HO2' | 53.4° | 56.3° |
H2' | C2' | C1' | N9 | 28.6° | 37.4° |
H2' | C2' | C1' | H1' | 86.9° | 160.4° |
C1' | N9 | C8 | C4 | 171.0° | 179.7° |
C1' | N9 | C8 | N7 | 172.9° | 180.0° |
C1' | N9 | C8 | H8 | 7.0° | 0.0° |
C1' | N9 | C4 | C5 | 170.1° | 179.8° |
C1' | N9 | C4 | N3 | 6.1° | 0.8° |
H1' | C1' | N9 | C8 | 150.9° | 151.5° |
H1' | C1' | N9 | C4 | 18.5° | 28.9° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 4.5° | 0.0° |
C8 | N9 | C4 | C5 | 1.6° | 0.4° |
C8 | N9 | C4 | N3 | 177.8° | 179.4° |
C4 | N9 | C8 | N7 | 1.9° | 0.3° |
C4 | N9 | C8 | H8 | 178.0° | 179.7° |
N9 | C4 | C5 | N7 | 4.3° | 0.5° |
N9 | C4 | C5 | C6 | 177.3° | 179.9° |
N9 | C4 | C5 | N3 | 176.2° | 179.2° |
N9 | C4 | N3 | C2 | 178.3° | 179.6° |
C8 | N7 | C5 | C6 | 176.7° | 179.9° |
C8 | N7 | C5 | C4 | 5.4° | 0.3° |
H8 | C8 | N7 | C5 | 175.5° | 180.0° |
N7 | C5 | C6 | C4 | 177.8° | 179.6° |
N7 | C5 | C6 | N6 | 6.4° | 0.1° |
N7 | C5 | C6 | N1 | 173.7° | 179.9° |
N7 | C5 | C4 | N3 | 179.5° | 179.6° |
C5 | C6 | N6 | N1 | 179.8° | 179.9° |
C5 | C6 | N6 | HN61 | 180.0° | 179.9° |
C5 | C6 | N6 | HN62 | 54.8° | 0.2° |
C5 | C6 | N1 | C2 | 3.7° | 0.1° |
C6 | C5 | C4 | N3 | 1.1° | 0.7° |
C4 | C5 | C6 | N6 | 175.7° | 179.7° |
C4 | C5 | C6 | N1 | 4.1° | 0.4° |
C5 | C4 | N3 | C2 | 6.2° | 0.7° |
C6 | N6 | HN61 | HN62 | 125.3° | 179.9° |
N6 | C6 | N1 | C2 | 176.2° | 180.0° |
N1 | C6 | N6 | HN61 | 0.2° | 0.0° |
N1 | C6 | N6 | HN62 | 125.4° | 179.9° |
C6 | N1 | C2 | N3 | 2.5° | 0.0° |
C6 | N1 | C2 | H2 | 177.6° | 179.9° |
N1 | C2 | N3 | H2 | 180.0° | 179.9° |
N1 | C2 | N3 | C4 | 7.0° | 0.4° |
H2 | C2 | N3 | C4 | 173.0° | 179.7° |