ATY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
PA | O1A | doub | 1.48Å | 1.49Å | |
PA | O2A | sing | 1.61Å | 1.49Å | |
PA | O3A | sing | 1.61Å | 1.66Å | |
PA | O5' | sing | 1.61Å | 1.60Å | |
O2A | HPA2 | sing | 0.97Å | 0.95Å | |
O3A | PB | sing | 1.61Å | 1.58Å | |
PB | O1B | doub | 1.48Å | 1.60Å | |
PB | O2B | sing | 1.61Å | 1.49Å | |
PB | O3B | sing | 1.61Å | 1.51Å | |
O2B | HPB2 | sing | 0.97Å | 0.95Å | |
O3B | HPB3 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.46Å | |
C5' | C4' | sing | 1.53Å | 1.53Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.44Å | 1.48Å | |
C4' | C3' | sing | 1.54Å | 1.55Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.43Å | |
C3' | O3' | sing | 1.45Å | 1.46Å | |
C3' | C2' | sing | 1.55Å | 1.54Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | CR | sing | 1.34Å | 1.43Å | |
CR | OR | doub | 1.21Å | 1.26Å | |
CR | CHR | sing | 1.51Å | 1.52Å | |
CHR | HHR3 | sing | 1.09Å | 1.11Å | |
CHR | HHR2 | sing | 1.09Å | 1.12Å | |
CHR | HHR1 | sing | 1.09Å | 1.11Å | |
C2' | C1' | sing | 1.54Å | 1.51Å | |
C2' | H2'2 | sing | 1.09Å | 1.11Å | |
C2' | H2'1 | sing | 1.09Å | 1.12Å | |
C1' | N1 | sing | 1.46Å | 1.51Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N1 | C2 | sing | 1.34Å | 1.40Å | |
N1 | C6 | sing | 1.37Å | 1.41Å | |
C2 | O2 | doub | 1.22Å | 1.23Å | |
C2 | N3 | sing | 1.35Å | 1.39Å | |
N3 | C4 | sing | 1.35Å | 1.41Å | |
N3 | H3 | sing | 0.97Å | 1.02Å | |
C4 | O4 | doub | 1.22Å | 1.23Å | |
C4 | C5 | sing | 1.42Å | 1.44Å | |
C5 | C5M | sing | 1.51Å | 1.48Å | |
C5 | C6 | doub | 1.35Å | 1.33Å | |
C5M | H5M3 | sing | 1.09Å | 1.11Å | |
C5M | H5M2 | sing | 1.09Å | 1.12Å | |
C5M | H5M1 | sing | 1.09Å | 1.11Å | |
C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1A | PA | O2A | 111.2° | 109.5° |
O1A | PA | O3A | 109.0° | 109.5° |
O1A | PA | O5' | 111.6° | 109.5° |
O2A | PA | O3A | 110.4° | 109.5° |
O2A | PA | O5' | 110.1° | 109.4° |
PA | O2A | HPA2 | 111.2° | 106.8° |
O3A | PA | O5' | 104.3° | 109.4° |
PA | O3A | PB | 136.2° | 106.8° |
PA | O5' | C5' | 125.1° | 106.8° |
O3A | PB | O1B | 99.8° | 109.4° |
O3A | PB | O2B | 112.8° | 109.5° |
O3A | PB | O3B | 112.5° | 109.5° |
O1B | PB | O2B | 110.2° | 109.5° |
O1B | PB | O3B | 110.8° | 109.4° |
O2B | PB | O3B | 110.4° | 109.5° |
PB | O2B | HPB2 | 112.7° | 106.8° |
PB | O3B | HPB3 | 112.4° | 106.8° |
O5' | C5' | C4' | 106.6° | 109.5° |
O5' | C5' | H5'2 | 113.3° | 109.5° |
O5' | C5' | H5'1 | 113.3° | 109.5° |
C4' | C5' | H5'2 | 113.3° | 109.4° |
C4' | C5' | H5'1 | 113.3° | 109.4° |
C5' | C4' | O4' | 110.2° | 110.4° |
C5' | C4' | C3' | 112.9° | 110.7° |
C5' | C4' | H4' | 105.6° | 110.3° |
H5'2 | C5' | H5'1 | 97.2° | 109.5° |
O4' | C4' | C3' | 106.2° | 104.7° |
O4' | C4' | H4' | 112.4° | 110.4° |
C4' | O4' | C1' | 109.7° | 105.5° |
C3' | C4' | H4' | 109.7° | 110.3° |
C4' | C3' | O3' | 112.9° | 110.6° |
C4' | C3' | C2' | 100.2° | 104.2° |
C4' | C3' | H3' | 113.9° | 110.5° |
O4' | C1' | C2' | 103.6° | 104.7° |
O4' | C1' | N1 | 115.7° | 110.5° |
O4' | C1' | H1' | 110.9° | 110.4° |
O3' | C3' | C2' | 110.9° | 110.5° |
O3' | C3' | H3' | 103.7° | 110.5° |
C3' | O3' | CR | 116.0° | 120.1° |
C2' | C3' | H3' | 115.7° | 110.5° |
C3' | C2' | C1' | 103.7° | 104.1° |
C3' | C2' | H2'2 | 114.5° | 110.6° |
C3' | C2' | H2'1 | 114.4° | 110.5° |
O3' | CR | OR | 124.8° | 120.0° |
O3' | CR | CHR | 121.4° | 120.1° |
OR | CR | CHR | 113.8° | 120.0° |
CR | CHR | HHR3 | 121.3° | 109.5° |
CR | CHR | HHR2 | 107.9° | 109.5° |
CR | CHR | HHR1 | 108.0° | 109.5° |
HHR3 | CHR | HHR2 | 108.0° | 109.4° |
HHR3 | CHR | HHR1 | 108.0° | 109.4° |
HHR2 | CHR | HHR1 | 101.9° | 109.5° |
C1' | C2' | H2'2 | 114.4° | 110.5° |
C1' | C2' | H2'1 | 114.4° | 110.5° |
C2' | C1' | N1 | 113.5° | 110.4° |
C2' | C1' | H1' | 113.2° | 110.3° |
H2'2 | C2' | H2'1 | 96.0° | 110.5° |
N1 | C1' | H1' | 100.4° | 110.3° |
C1' | N1 | C2 | 120.6° | 119.7° |
C1' | N1 | C6 | 119.6° | 119.7° |
C2 | N1 | C6 | 119.8° | 120.6° |
N1 | C2 | O2 | 124.0° | 119.5° |
N1 | C2 | N3 | 113.7° | 121.0° |
N1 | C6 | C5 | 124.4° | 119.7° |
N1 | C6 | H6 | 121.2° | 120.1° |
O2 | C2 | N3 | 122.3° | 119.6° |
C2 | N3 | C4 | 129.0° | 120.3° |
C2 | N3 | H3 | 114.6° | 119.9° |
C4 | N3 | H3 | 116.4° | 119.8° |
N3 | C4 | O4 | 120.5° | 120.3° |
N3 | C4 | C5 | 112.9° | 119.4° |
O4 | C4 | C5 | 126.5° | 120.3° |
C4 | C5 | C5M | 122.1° | 120.5° |
C4 | C5 | C6 | 120.2° | 119.1° |
C5M | C5 | C6 | 117.6° | 120.4° |
C5 | C5M | H5M3 | 122.2° | 109.5° |
C5 | C5M | H5M2 | 107.7° | 109.5° |
C5 | C5M | H5M1 | 107.7° | 109.5° |
C5 | C6 | H6 | 114.5° | 120.2° |
H5M3 | C5M | H5M2 | 107.7° | 109.4° |
H5M3 | C5M | H5M1 | 107.7° | 109.5° |
H5M2 | C5M | H5M1 | 102.1° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1A | PA | O2A | O3A | 121.2° | 120.0° |
O1A | PA | O2A | O5' | 124.2° | 120.1° |
O1A | PA | O3A | O5' | 119.4° | 120.1° |
O1A | PA | O2A | HPA2 | 179.9° | 180.0° |
O1A | PA | O3A | PB | 57.4° | 60.0° |
O1A | PA | O5' | C5' | 179.9° | 60.0° |
O2A | PA | O3A | O5' | 118.2° | 119.9° |
O2A | PA | O3A | PB | 179.8° | 60.0° |
O2A | PA | O5' | C5' | 55.9° | 60.0° |
O3A | PA | O2A | HPA2 | 58.9° | 60.0° |
PA | O3A | PB | O1B | 2.1° | 60.0° |
PA | O3A | PB | O2B | 114.8° | 180.0° |
PA | O3A | PB | O3B | 119.6° | 60.0° |
O3A | PA | O5' | C5' | 62.5° | 180.0° |
O5' | PA | O2A | HPA2 | 55.7° | 60.0° |
O5' | PA | O3A | PB | 62.0° | 179.9° |
PA | O5' | C5' | C4' | 160.6° | 180.0° |
PA | O5' | C5' | H5'2 | 74.1° | 60.0° |
PA | O5' | C5' | H5'1 | 35.4° | 60.1° |
O3A | PB | O1B | O2B | 118.8° | 120.0° |
O3A | PB | O1B | O3B | 118.7° | 120.0° |
O3A | PB | O2B | O3B | 126.7° | 120.0° |
O3A | PB | O2B | HPB2 | 179.9° | 180.0° |
O3A | PB | O3B | HPB3 | 179.9° | 60.0° |
O1B | PB | O2B | O3B | 122.7° | 120.0° |
O1B | PB | O2B | HPB2 | 69.4° | 60.0° |
O1B | PB | O3B | HPB3 | 69.2° | 179.9° |
O2B | PB | O3B | HPB3 | 53.2° | 60.0° |
O3B | PB | O2B | HPB2 | 53.3° | 60.0° |
O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
O5' | C5' | H5'2 | H5'1 | 119.2° | 120.0° |
O5' | C5' | C4' | O4' | 71.4° | 61.4° |
O5' | C5' | C4' | C3' | 47.1° | 176.9° |
O5' | C5' | C4' | H4' | 166.9° | 60.8° |
C4' | C5' | H5'2 | H5'1 | 119.2° | 120.0° |
C5' | C4' | O4' | C3' | 122.6° | 119.1° |
C5' | C4' | O4' | H4' | 117.5° | 122.2° |
C5' | C4' | C3' | H4' | 117.5° | 122.3° |
C5' | C4' | O4' | C1' | 123.0° | 159.4° |
C5' | C4' | C3' | O3' | 144.7° | 98.5° |
C5' | C4' | C3' | C2' | 97.3° | 142.7° |
C5' | C4' | C3' | H3' | 26.8° | 24.1° |
H5'2 | C5' | C4' | O4' | 163.3° | 178.6° |
H5'2 | C5' | C4' | C3' | 78.2° | 63.1° |
H5'2 | C5' | C4' | H4' | 41.6° | 59.2° |
H5'1 | C5' | C4' | O4' | 53.8° | 58.6° |
H5'1 | C5' | C4' | C3' | 172.3° | 56.9° |
H5'1 | C5' | C4' | H4' | 67.8° | 179.2° |
O4' | C4' | C3' | H4' | 121.7° | 118.7° |
O4' | C4' | C3' | O3' | 94.4° | 142.5° |
O4' | C4' | C3' | C2' | 23.5° | 23.8° |
O4' | C4' | C3' | H3' | 147.7° | 94.9° |
C4' | O4' | C1' | C2' | 24.9° | 40.4° |
C4' | O4' | C1' | N1 | 149.8° | 159.3° |
C4' | O4' | C1' | H1' | 96.8° | 78.4° |
C3' | C4' | O4' | C1' | 0.4° | 40.3° |
C4' | C3' | O3' | C2' | 111.5° | 114.8° |
C4' | C3' | O3' | H3' | 123.7° | 122.7° |
C4' | C3' | C2' | H3' | 122.9° | 118.7° |
C4' | C3' | O3' | CR | 156.7° | 151.9° |
C4' | C3' | C2' | C1' | 38.3° | 0.1° |
C4' | C3' | C2' | H2'2 | 87.0° | 118.5° |
C4' | C3' | C2' | H2'1 | 163.5° | 118.8° |
H4' | C4' | O4' | C1' | 119.5° | 78.3° |
H4' | C4' | C3' | O3' | 27.2° | 23.8° |
H4' | C4' | C3' | C2' | 145.2° | 95.0° |
H4' | C4' | C3' | H3' | 90.6° | 146.4° |
O4' | C1' | C2' | C3' | 40.0° | 23.9° |
O4' | C1' | C2' | N1 | 126.2° | 119.0° |
O4' | C1' | C2' | H1' | 120.2° | 118.8° |
O4' | C1' | C2' | H2'2 | 85.4° | 94.8° |
O4' | C1' | C2' | H2'1 | 165.2° | 142.6° |
O4' | C1' | N1 | H1' | 119.4° | 122.4° |
O4' | C1' | N1 | C2 | 104.4° | 55.1° |
O4' | C1' | N1 | C6 | 76.5° | 124.6° |
O3' | C3' | C2' | H3' | 117.7° | 122.5° |
C3' | O3' | CR | OR | 173.3° | 0.1° |
C3' | O3' | CR | CHR | 8.4° | 180.0° |
O3' | C3' | C2' | C1' | 81.2° | 118.7° |
O3' | C3' | C2' | H2'2 | 153.6° | 122.6° |
O3' | C3' | C2' | H2'1 | 44.1° | 0.0° |
C2' | C3' | O3' | CR | 91.9° | 93.3° |
C3' | C2' | C1' | H2'2 | 125.3° | 118.7° |
C3' | C2' | C1' | H2'1 | 125.3° | 118.7° |
C3' | C2' | H2'2 | H2'1 | 120.3° | 122.7° |
C3' | C2' | C1' | N1 | 166.2° | 142.9° |
C3' | C2' | C1' | H1' | 80.2° | 94.8° |
H3' | C3' | O3' | CR | 33.0° | 29.2° |
H3' | C3' | C2' | C1' | 161.1° | 118.8° |
H3' | C3' | C2' | H2'2 | 35.9° | 0.1° |
H3' | C3' | C2' | H2'1 | 73.6° | 122.6° |
O3' | CR | OR | CHR | 178.4° | 179.9° |
O3' | CR | CHR | HHR3 | 180.0° | 180.0° |
O3' | CR | CHR | HHR2 | 54.7° | 60.0° |
O3' | CR | CHR | HHR1 | 54.7° | 60.0° |
OR | CR | CHR | HHR3 | 1.5° | 0.1° |
OR | CR | CHR | HHR2 | 123.7° | 120.1° |
OR | CR | CHR | HHR1 | 126.8° | 119.9° |
CR | CHR | HHR3 | HHR2 | 125.2° | 120.0° |
CR | CHR | HHR3 | HHR1 | 125.3° | 120.1° |
CR | CHR | HHR2 | HHR1 | 113.6° | 120.0° |
HHR3 | CHR | HHR2 | HHR1 | 113.6° | 119.9° |
C1' | C2' | H2'2 | H2'1 | 120.3° | 122.7° |
C2' | C1' | N1 | H1' | 121.1° | 122.2° |
C2' | C1' | N1 | C2 | 136.0° | 60.3° |
C2' | C1' | N1 | C6 | 43.1° | 120.0° |
H2'2 | C2' | C1' | N1 | 40.9° | 24.3° |
H2'2 | C2' | C1' | H1' | 154.5° | 146.5° |
H2'1 | C2' | C1' | N1 | 68.5° | 98.4° |
H2'1 | C2' | C1' | H1' | 45.0° | 23.8° |
C1' | N1 | C2 | C6 | 179.1° | 179.7° |
C1' | N1 | C2 | O2 | 0.2° | 0.4° |
C1' | N1 | C2 | N3 | 179.5° | 179.8° |
C1' | N1 | C6 | C5 | 179.1° | 180.0° |
C1' | N1 | C6 | H6 | 0.9° | 0.1° |
H1' | C1' | N1 | C2 | 14.9° | 177.5° |
H1' | C1' | N1 | C6 | 164.2° | 2.2° |
N1 | C2 | O2 | N3 | 179.7° | 179.4° |
N1 | C2 | N3 | C4 | 0.4° | 0.6° |
N1 | C2 | N3 | H3 | 179.7° | 179.7° |
C2 | N1 | C6 | C5 | 0.0° | 0.3° |
C2 | N1 | C6 | H6 | 180.0° | 179.8° |
C6 | N1 | C2 | O2 | 179.3° | 180.0° |
C6 | N1 | C2 | N3 | 0.4° | 0.6° |
N1 | C6 | C5 | C4 | 0.4° | 0.0° |
N1 | C6 | C5 | C5M | 178.4° | 180.0° |
N1 | C6 | C5 | H6 | 180.0° | 179.9° |
O2 | C2 | N3 | C4 | 179.4° | 180.0° |
O2 | C2 | N3 | H3 | 0.6° | 0.3° |
C2 | N3 | C4 | H3 | 180.0° | 179.7° |
C2 | N3 | C4 | O4 | 179.8° | 179.7° |
C2 | N3 | C4 | C5 | 0.0° | 0.3° |
N3 | C4 | O4 | C5 | 179.8° | 180.0° |
N3 | C4 | C5 | C5M | 178.4° | 180.0° |
N3 | C4 | C5 | C6 | 0.4° | 0.0° |
H3 | N3 | C4 | O4 | 0.2° | 0.0° |
H3 | N3 | C4 | C5 | 179.9° | 180.0° |
O4 | C4 | C5 | C5M | 1.4° | 0.0° |
O4 | C4 | C5 | C6 | 179.8° | 180.0° |
C4 | C5 | C5M | C6 | 178.8° | 179.9° |
C4 | C5 | C5M | H5M3 | 180.0° | 0.1° |
C4 | C5 | C5M | H5M2 | 54.7° | 120.0° |
C4 | C5 | C5M | H5M1 | 54.7° | 119.9° |
C4 | C5 | C6 | H6 | 179.6° | 180.0° |
C5 | C5M | H5M3 | H5M2 | 125.3° | 120.0° |
C5 | C5M | H5M3 | H5M1 | 125.3° | 120.0° |
C5 | C5M | H5M2 | H5M1 | 113.2° | 120.0° |
C5M | C5 | C6 | H6 | 1.6° | 0.1° |
C6 | C5 | C5M | H5M3 | 1.2° | 180.0° |
C6 | C5 | C5M | H5M2 | 124.1° | 60.0° |
C6 | C5 | C5M | H5M1 | 126.5° | 60.0° |
H5M3 | C5M | H5M2 | H5M1 | 113.3° | 120.0° |