FF7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | doub | 1.22Å | 1.19Å | |
C2 | N3 | sing | 1.33Å | 1.34Å | |
C2 | N1 | sing | 1.35Å | 1.33Å | |
C2' | C1' | sing | 1.54Å | 1.31Å | |
C2' | C3' | sing | 1.55Å | 1.54Å | |
N3 | C4 | doub | 1.33Å | 1.34Å | |
C1' | N1 | sing | 1.47Å | 1.47Å | |
C1' | O4' | sing | 1.44Å | 1.60Å | |
N1 | C6 | sing | 1.36Å | 1.32Å | |
O3' | C3' | sing | 1.43Å | 1.40Å | |
C4 | N4 | sing | 1.38Å | 1.45Å | |
C4 | C5 | sing | 1.41Å | 1.38Å | |
C3' | C4' | sing | 1.54Å | 1.54Å | |
O4' | C4' | sing | 1.44Å | 1.30Å | |
C4' | C5' | sing | 1.53Å | 1.57Å | |
C6 | C5 | doub | 1.35Å | 1.39Å | |
O1B | PB | doub | 1.48Å | 1.52Å | |
C5' | O5' | sing | 1.43Å | 1.41Å | |
O5' | PA | sing | 1.61Å | 1.66Å | |
O3A | PB | sing | 1.61Å | 1.63Å | |
O3A | PA | sing | 1.61Å | 1.64Å | |
PB | O2B | sing | 1.61Å | 1.51Å | |
PB | C3B | sing | 1.82Å | 1.87Å | |
CL | C3B | sing | 1.80Å | 1.78Å | |
PA | O2A | doub | 1.48Å | 1.50Å | |
PA | O1A | sing | 1.61Å | 1.50Å | |
C3B | PG | sing | 1.82Å | 1.85Å | |
O3G | PG | doub | 1.48Å | 1.49Å | |
PG | O2G | sing | 1.61Å | 1.52Å | |
PG | O1G | sing | 1.61Å | 1.51Å | |
N4 | H1 | sing | 0.97Å | 1.00Å | |
N4 | H2 | sing | 0.97Å | 1.00Å | |
C5 | H3 | sing | 1.08Å | 1.08Å | |
C6 | H4 | sing | 1.08Å | 1.08Å | |
C1' | H5 | sing | 1.09Å | 1.10Å | |
C2' | H6 | sing | 1.09Å | 1.10Å | |
C2' | H7 | sing | 1.09Å | 1.10Å | |
C3' | H8 | sing | 1.09Å | 1.10Å | |
O3' | H9 | sing | 0.97Å | 0.95Å | |
C4' | H10 | sing | 1.09Å | 1.10Å | |
C5' | H11 | sing | 1.09Å | 1.10Å | |
C5' | H12 | sing | 1.09Å | 1.10Å | |
O1A | H13 | sing | 0.97Å | 0.95Å | |
O2B | H14 | sing | 0.97Å | 0.95Å | |
C3B | H15 | sing | 1.09Å | 1.10Å | |
O2G | H16 | sing | 0.97Å | 0.95Å | |
O1G | H17 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C2 | N3 | 119.7° | 119.5° |
O2 | C2 | N1 | 118.1° | 119.5° |
N3 | C2 | N1 | 122.2° | 121.0° |
C2 | N3 | C4 | 119.8° | 120.7° |
C2 | N1 | C1' | 119.8° | 119.8° |
C2 | N1 | C6 | 119.9° | 120.4° |
C1' | C2' | C3' | 105.7° | 104.0° |
C2' | C1' | N1 | 110.1° | 110.4° |
C2' | C1' | O4' | 105.4° | 104.8° |
C2' | C1' | H5 | 112.6° | 110.5° |
C1' | C2' | H6 | 110.4° | 110.5° |
C1' | C2' | H7 | 110.4° | 110.5° |
C2' | C3' | O3' | 114.7° | 110.5° |
C2' | C3' | C4' | 99.7° | 104.0° |
C3' | C2' | H6 | 110.4° | 110.5° |
C3' | C2' | H7 | 110.4° | 110.5° |
C2' | C3' | H8 | 108.4° | 110.5° |
N3 | C4 | N4 | 121.9° | 120.2° |
N3 | C4 | C5 | 119.8° | 119.7° |
N1 | C1' | O4' | 110.2° | 110.4° |
C1' | N1 | C6 | 120.3° | 119.8° |
N1 | C1' | H5 | 110.0° | 110.3° |
C1' | O4' | C4' | 108.4° | 105.2° |
O4' | C1' | H5 | 108.4° | 110.4° |
N1 | C6 | C5 | 120.4° | 119.3° |
N1 | C6 | H4 | 119.8° | 120.4° |
O3' | C3' | C4' | 114.5° | 110.6° |
O3' | C3' | H8 | 110.4° | 110.6° |
C3' | O3' | H9 | 109.5° | 114.0° |
N4 | C4 | C5 | 118.3° | 120.2° |
C4 | N4 | H1 | 120.0° | 120.0° |
C4 | N4 | H2 | 120.0° | 120.0° |
C4 | C5 | C6 | 117.9° | 118.9° |
C4 | C5 | H3 | 121.0° | 120.5° |
C3' | C4' | O4' | 103.8° | 104.8° |
C3' | C4' | C5' | 111.6° | 110.4° |
C4' | C3' | H8 | 108.4° | 110.5° |
C3' | C4' | H10 | 109.6° | 110.3° |
O4' | C4' | C5' | 109.2° | 110.4° |
O4' | C4' | H10 | 113.5° | 110.4° |
C4' | C5' | O5' | 108.8° | 109.5° |
C5' | C4' | H10 | 109.2° | 110.4° |
C4' | C5' | H11 | 109.6° | 109.5° |
C4' | C5' | H12 | 109.6° | 109.5° |
C6 | C5 | H3 | 121.1° | 120.5° |
C5 | C6 | H4 | 119.8° | 120.4° |
O1B | PB | O3A | 106.1° | 109.5° |
O1B | PB | O2B | 108.8° | 109.5° |
O1B | PB | C3B | 106.7° | 109.5° |
C5' | O5' | PA | 117.6° | 123.0° |
O5' | C5' | H11 | 109.6° | 109.5° |
O5' | C5' | H12 | 109.6° | 109.5° |
O5' | PA | O3A | 104.4° | 109.5° |
O5' | PA | O2A | 111.3° | 109.5° |
O5' | PA | O1A | 109.3° | 109.5° |
PB | O3A | PA | 128.5° | 134.0° |
O3A | PB | O2B | 114.2° | 109.5° |
O3A | PB | C3B | 106.0° | 109.4° |
O3A | PA | O2A | 106.0° | 109.5° |
O3A | PA | O1A | 111.6° | 109.5° |
O2B | PB | C3B | 114.5° | 109.4° |
PB | O2B | H14 | 109.5° | 114.0° |
PB | C3B | CL | 111.6° | 109.5° |
PB | C3B | PG | 111.9° | 109.5° |
PB | C3B | H15 | 108.5° | 109.5° |
CL | C3B | PG | 106.7° | 109.5° |
CL | C3B | H15 | 109.4° | 109.5° |
O2A | PA | O1A | 113.8° | 109.5° |
PA | O1A | H13 | 109.5° | 114.0° |
C3B | PG | O3G | 110.1° | 109.5° |
C3B | PG | O2G | 107.9° | 109.5° |
C3B | PG | O1G | 108.7° | 109.5° |
PG | C3B | H15 | 108.7° | 109.4° |
O3G | PG | O2G | 111.1° | 109.5° |
O3G | PG | O1G | 108.4° | 109.4° |
O2G | PG | O1G | 110.7° | 109.5° |
PG | O2G | H16 | 109.5° | 114.0° |
PG | O1G | H17 | 109.5° | 114.0° |
H1 | N4 | H2 | 120.0° | 120.0° |
H6 | C2' | H7 | 109.5° | 110.5° |
H11 | C5' | H12 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | N3 | N1 | 179.6° | 180.0° |
O2 | C2 | N3 | C4 | 179.8° | 180.0° |
O2 | C2 | N1 | C1' | 1.5° | 0.0° |
O2 | C2 | N1 | C6 | 179.4° | 179.7° |
N3 | C2 | N1 | C1' | 178.2° | 180.0° |
N3 | C2 | N1 | C6 | 1.0° | 0.3° |
C2 | N3 | C4 | N4 | 179.3° | 180.0° |
C2 | N3 | C4 | C5 | 0.6° | 0.4° |
C2 | N1 | C1' | C2' | 92.4° | 61.8° |
N1 | C2 | N3 | C4 | 0.2° | 0.1° |
C2 | N1 | C1' | C6 | 179.1° | 179.7° |
C2 | N1 | C1' | O4' | 151.7° | 53.5° |
C2 | N1 | C6 | C5 | 1.1° | 0.3° |
C2 | N1 | C6 | H4 | 178.9° | 179.8° |
C2 | N1 | C1' | H5 | 32.3° | 175.8° |
C1' | C2' | C3' | H6 | 119.4° | 118.6° |
C1' | C2' | C3' | H7 | 119.4° | 118.7° |
C2' | C1' | N1 | O4' | 115.9° | 115.4° |
C2' | C1' | N1 | H5 | 124.7° | 122.4° |
C2' | C1' | O4' | H5 | 120.7° | 119.0° |
C2' | C1' | N1 | C6 | 86.7° | 117.9° |
C1' | C2' | C3' | O3' | 160.9° | 118.6° |
C1' | C2' | C3' | C4' | 38.0° | 0.0° |
C2' | C1' | O4' | C4' | 3.3° | 40.5° |
C1' | C2' | H6 | H7 | 121.8° | 122.7° |
C1' | C2' | C3' | H8 | 75.2° | 118.7° |
C3' | C2' | C1' | N1 | 96.3° | 142.8° |
C3' | C2' | C1' | O4' | 22.6° | 24.0° |
C2' | C3' | O3' | C4' | 114.5° | 114.6° |
C2' | C3' | O3' | H8 | 122.8° | 122.6° |
C2' | C3' | C4' | H8 | 113.2° | 118.6° |
C2' | C3' | C4' | O4' | 39.6° | 24.0° |
C2' | C3' | C4' | C5' | 157.0° | 142.8° |
C3' | C2' | C1' | H5 | 140.5° | 94.9° |
C3' | C2' | H6 | H7 | 121.7° | 122.7° |
C2' | C3' | O3' | H9 | 143.5° | 61.5° |
C2' | C3' | C4' | H10 | 81.9° | 94.9° |
N3 | C4 | N4 | C5 | 179.8° | 179.7° |
N3 | C4 | C5 | C6 | 0.4° | 0.3° |
N3 | C4 | N4 | H1 | 0.0° | 179.7° |
N3 | C4 | N4 | H2 | 180.0° | 0.3° |
N3 | C4 | C5 | H3 | 179.6° | 179.7° |
N1 | C1' | O4' | H5 | 120.4° | 122.2° |
N1 | C1' | O4' | C4' | 122.1° | 159.3° |
C1' | N1 | C6 | C5 | 178.1° | 180.0° |
C1' | N1 | C6 | H4 | 2.0° | 0.1° |
N1 | C1' | C2' | H6 | 144.3° | 98.5° |
N1 | C1' | C2' | H7 | 23.1° | 24.2° |
O4' | C1' | N1 | C6 | 29.2° | 126.7° |
C1' | O4' | C4' | C3' | 27.4° | 40.5° |
C1' | O4' | C4' | C5' | 146.5° | 159.4° |
O4' | C1' | C2' | H6 | 96.8° | 142.7° |
O4' | C1' | C2' | H7 | 142.0° | 94.7° |
C1' | O4' | C4' | H10 | 91.5° | 78.3° |
N1 | C6 | C5 | C4 | 0.4° | 0.0° |
N1 | C6 | C5 | H4 | 180.0° | 179.9° |
N1 | C6 | C5 | H3 | 179.6° | 179.9° |
C6 | N1 | C1' | H5 | 148.6° | 4.5° |
O3' | C3' | C4' | H8 | 123.8° | 122.8° |
O3' | C3' | C4' | O4' | 162.5° | 142.6° |
O3' | C3' | C4' | C5' | 80.0° | 98.6° |
O3' | C3' | C2' | H6 | 41.5° | 0.0° |
O3' | C3' | C2' | H7 | 79.7° | 122.7° |
O3' | C3' | C4' | H10 | 41.0° | 23.8° |
N4 | C4 | C5 | C6 | 179.4° | 180.0° |
C4 | N4 | H1 | H2 | 180.0° | 179.9° |
N4 | C4 | C5 | H3 | 0.6° | 0.1° |
C4 | C5 | C6 | H3 | 180.0° | 180.0° |
C5 | C4 | N4 | H1 | 179.8° | 0.1° |
C5 | C4 | N4 | H2 | 0.2° | 180.0° |
C4 | C5 | C6 | H4 | 179.6° | 179.9° |
C3' | C4' | O4' | C5' | 119.1° | 118.8° |
C3' | C4' | O4' | H10 | 118.9° | 118.8° |
C3' | C4' | C5' | H10 | 121.2° | 122.3° |
C3' | C4' | C5' | O5' | 60.6° | 175.0° |
C4' | C3' | C2' | H6 | 81.4° | 118.6° |
C4' | C3' | C2' | H7 | 157.4° | 118.6° |
C4' | C3' | O3' | H9 | 102.1° | 176.1° |
C3' | C4' | C5' | H11 | 179.6° | 54.9° |
C3' | C4' | C5' | H12 | 59.3° | 65.0° |
O4' | C4' | C5' | H10 | 124.6° | 122.3° |
O4' | C4' | C5' | O5' | 53.6° | 69.6° |
C4' | O4' | C1' | H5 | 117.4° | 78.5° |
O4' | C4' | C3' | H8 | 73.7° | 94.6° |
O4' | C4' | C5' | H11 | 66.3° | 170.4° |
O4' | C4' | C5' | H12 | 173.5° | 50.4° |
C4' | C5' | O5' | H11 | 119.9° | 120.0° |
C4' | C5' | O5' | H12 | 119.9° | 120.1° |
C4' | C5' | O5' | PA | 131.9° | 180.0° |
C5' | C4' | C3' | H8 | 43.8° | 24.2° |
C4' | C5' | H11 | H12 | 120.3° | 120.0° |
O1B | PB | O3A | O2B | 119.8° | 120.0° |
O1B | PB | O3A | C3B | 113.2° | 120.0° |
O1B | PB | O3A | PA | 151.1° | 60.0° |
O1B | PB | O2B | C3B | 119.2° | 120.0° |
O1B | PB | C3B | CL | 20.7° | 60.0° |
O1B | PB | C3B | PG | 140.2° | 60.0° |
O1B | PB | O2B | H14 | 0.0° | 180.0° |
O1B | PB | C3B | H15 | 99.9° | 180.0° |
C5' | O5' | PA | O3A | 66.4° | 175.0° |
C5' | O5' | PA | O2A | 179.8° | 55.0° |
C5' | O5' | PA | O1A | 53.2° | 65.0° |
O5' | C5' | C4' | H10 | 178.2° | 52.7° |
O5' | C5' | H11 | H12 | 120.3° | 120.0° |
O5' | PA | O3A | PB | 116.4° | 165.0° |
O5' | PA | O3A | O2A | 117.6° | 120.0° |
O5' | PA | O3A | O1A | 118.0° | 120.0° |
O5' | PA | O2A | O1A | 124.1° | 120.0° |
PA | O5' | C5' | H11 | 108.2° | 60.0° |
PA | O5' | C5' | H12 | 12.0° | 59.9° |
O5' | PA | O1A | H13 | 125.1° | 60.0° |
O3A | PB | O2B | C3B | 122.5° | 119.9° |
O3A | PB | C3B | CL | 133.5° | 60.0° |
PB | O3A | PA | O2A | 126.0° | 45.0° |
PB | O3A | PA | O1A | 1.5° | 75.0° |
O3A | PB | C3B | PG | 107.0° | 180.0° |
O3A | PB | O2B | H14 | 118.4° | 60.0° |
O3A | PB | C3B | H15 | 12.9° | 60.0° |
PA | O3A | PB | O2B | 31.3° | 60.1° |
PA | O3A | PB | C3B | 95.7° | 180.0° |
O3A | PA | O2A | O1A | 123.1° | 120.0° |
O3A | PA | O1A | H13 | 119.9° | 60.0° |
O2B | PB | C3B | CL | 99.6° | 180.0° |
O2B | PB | C3B | PG | 19.8° | 60.0° |
O2B | PB | C3B | H15 | 139.7° | 59.9° |
PB | C3B | CL | PG | 122.5° | 120.0° |
PB | C3B | CL | H15 | 120.1° | 120.1° |
PB | C3B | PG | H15 | 119.8° | 120.0° |
PB | C3B | PG | O3G | 85.3° | 60.0° |
PB | C3B | PG | O2G | 36.1° | 180.0° |
PB | C3B | PG | O1G | 156.2° | 60.0° |
C3B | PB | O2B | H14 | 119.2° | 60.0° |
CL | C3B | PG | H15 | 117.9° | 120.0° |
CL | C3B | PG | O3G | 37.0° | 60.0° |
CL | C3B | PG | O2G | 158.4° | 60.0° |
CL | C3B | PG | O1G | 81.5° | 180.0° |
O2A | PA | O1A | H13 | 0.0° | 180.0° |
C3B | PG | O3G | O2G | 119.5° | 120.0° |
C3B | PG | O3G | O1G | 118.7° | 120.0° |
C3B | PG | O2G | O1G | 118.8° | 120.0° |
C3B | PG | O2G | H16 | 120.8° | 180.0° |
C3B | PG | O1G | H17 | 119.6° | 60.0° |
O3G | PG | O2G | O1G | 120.4° | 120.0° |
O3G | PG | C3B | H15 | 155.0° | 180.0° |
O3G | PG | O2G | H16 | 0.0° | 59.9° |
O3G | PG | O1G | H17 | 0.0° | 180.0° |
O2G | PG | C3B | H15 | 83.7° | 60.0° |
O2G | PG | O1G | H17 | 122.0° | 60.0° |
O1G | PG | C3B | H15 | 36.4° | 60.0° |
O1G | PG | O2G | H16 | 120.4° | 60.0° |
H3 | C5 | C6 | H4 | 0.4° | 0.0° |
H5 | C1' | C2' | H6 | 21.1° | 23.7° |
H5 | C1' | C2' | H7 | 100.1° | 146.4° |
H6 | C2' | C3' | H8 | 165.3° | 122.7° |
H7 | C2' | C3' | H8 | 44.2° | 0.0° |
H8 | C3' | O3' | H9 | 20.7° | 61.1° |
H8 | C3' | C4' | H10 | 164.8° | 146.5° |
H10 | C4' | C5' | H11 | 58.3° | 67.3° |
H10 | C4' | C5' | H12 | 61.9° | 172.7° |