5FU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F5 | C5 | sing | 1.35Å | 1.34Å | |
C5 | C6 | doub | 1.33Å | 1.26Å | |
C5 | C4 | sing | 1.47Å | 1.38Å | |
C4 | O4 | doub | 1.23Å | 1.25Å | |
C4 | N3 | sing | 1.39Å | 1.38Å | |
N3 | H3 | sing | 1.02Å | 1.00Å | |
N3 | C2 | sing | 1.40Å | 1.38Å | |
C2 | N1 | sing | 1.42Å | 1.35Å | |
C2 | O2 | doub | 1.23Å | 1.25Å | |
C6 | N1 | sing | 1.39Å | 1.27Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
N1 | C1' | sing | 1.43Å | 1.45Å | |
C1' | C2' | sing | 1.52Å | 1.51Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C1' | O4' | sing | 1.44Å | 1.43Å | |
O4' | C4' | sing | 1.44Å | 1.44Å | |
C2' | O2' | sing | 1.41Å | 1.43Å | |
C2' | H2' | sing | 1.10Å | 1.10Å | |
C2' | C3' | sing | 1.51Å | 1.52Å | |
O2' | HO'2 | sing | 0.97Å | 0.95Å | |
C3' | C4' | sing | 1.52Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
O3' | H3T | sing | 0.97Å | 0.95Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C4' | C5' | sing | 1.52Å | 1.51Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
C5' | O5' | sing | 1.42Å | 1.42Å | |
O5' | P | sing | 1.62Å | 1.61Å | |
P | O1P | doub | 1.50Å | 1.51Å | |
P | O2P | sing | 1.62Å | 1.51Å | |
P | O3P | sing | 1.62Å | 132.87Å | |
O2P | HOP2 | sing | 0.98Å | 0.95Å | |
O3P | HOP3 | sing | 0.98Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F5 | C5 | C6 | 129.9° | 122.5° |
F5 | C5 | C4 | 125.4° | 116.5° |
C6 | C5 | C4 | 104.7° | 121.0° |
C5 | C6 | N1 | 149.3° | 123.1° |
C5 | C6 | H6 | 105.4° | 121.0° |
C5 | C4 | O4 | 120.4° | 121.6° |
C5 | C4 | N3 | 118.2° | 113.6° |
O4 | C4 | N3 | 121.4° | 124.8° |
C4 | N3 | H3 | 118.1° | 116.6° |
C4 | N3 | C2 | 123.8° | 126.9° |
H3 | N3 | C2 | 118.1° | 116.5° |
N3 | C2 | N1 | 117.9° | 115.3° |
N3 | C2 | O2 | 121.3° | 121.0° |
N1 | C2 | O2 | 120.8° | 123.7° |
C2 | N1 | C6 | 106.0° | 120.1° |
C2 | N1 | C1' | 124.5° | 121.3° |
N1 | C6 | H6 | 105.3° | 115.9° |
C6 | N1 | C1' | 129.5° | 118.6° |
N1 | C1' | C2' | 109.3° | 112.5° |
N1 | C1' | H1' | 109.0° | 107.3° |
N1 | C1' | O4' | 109.6° | 109.0° |
C2' | C1' | H1' | 110.5° | 112.6° |
C2' | C1' | O4' | 108.2° | 106.5° |
C1' | C2' | O2' | 108.2° | 112.6° |
C1' | C2' | H2' | 114.1° | 111.1° |
C1' | C2' | C3' | 103.9° | 102.0° |
H1' | C1' | O4' | 110.2° | 108.9° |
C1' | O4' | C4' | 109.3° | 109.2° |
O4' | C4' | C3' | 104.4° | 105.9° |
O4' | C4' | H4' | 112.7° | 107.7° |
O4' | C4' | C5' | 111.2° | 108.2° |
O2' | C2' | H2' | 108.0° | 108.6° |
O2' | C2' | C3' | 110.5° | 112.3° |
C2' | O2' | HO'2 | 109.5° | 107.1° |
H2' | C2' | C3' | 112.0° | 110.1° |
C2' | C3' | C4' | 104.4° | 102.1° |
C2' | C3' | H3' | 112.2° | 114.0° |
C2' | C3' | O3' | 110.5° | 110.3° |
C4' | C3' | H3' | 113.0° | 114.5° |
C4' | C3' | O3' | 109.7° | 107.9° |
C3' | C4' | H4' | 111.6° | 112.2° |
C3' | C4' | C5' | 112.3° | 113.3° |
H3' | C3' | O3' | 107.1° | 107.8° |
C3' | O3' | H3T | 109.5° | 106.4° |
H4' | C4' | C5' | 104.9° | 109.3° |
C4' | C5' | H5'1 | 110.3° | 110.1° |
C4' | C5' | H5'2 | 110.8° | 110.1° |
C4' | C5' | O5' | 107.1° | 108.6° |
H5'1 | C5' | H5'2 | 107.6° | 109.6° |
H5'1 | C5' | O5' | 110.3° | 109.2° |
H5'2 | C5' | O5' | 110.8° | 109.3° |
C5' | O5' | P | 121.7° | 118.5° |
O5' | P | O1P | 108.7° | 115.0° |
O5' | P | O2P | 108.9° | 103.8° |
O5' | P | O3P | 153.2° | 102.9° |
O1P | P | O2P | 120.6° | 115.3° |
O1P | P | O3P | 77.5° | 114.9° |
O2P | P | O3P | 50.0° | 103.3° |
P | O2P | HOP2 | 109.5° | 119.0° |
P | O3P | HOP3 | 90.0° | 119.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F5 | C5 | C6 | C4 | 179.3° | 180.0° |
F5 | C5 | C4 | O4 | 0.7° | 0.0° |
F5 | C5 | C4 | N3 | 179.0° | 180.0° |
F5 | C5 | C6 | N1 | 179.9° | 179.9° |
F5 | C5 | C6 | H6 | 0.1° | 0.0° |
C6 | C5 | C4 | O4 | 180.0° | 180.0° |
C6 | C5 | C4 | N3 | 0.3° | 0.0° |
C5 | C6 | N1 | C2 | 0.9° | 0.0° |
C5 | C6 | N1 | H6 | 180.0° | 179.9° |
C5 | C6 | N1 | C1' | 179.9° | 180.0° |
C5 | C4 | O4 | N3 | 179.7° | 180.0° |
C5 | C4 | N3 | H3 | 179.3° | 180.0° |
C5 | C4 | N3 | C2 | 0.7° | 0.0° |
C4 | C5 | C6 | N1 | 0.6° | 0.0° |
C4 | C5 | C6 | H6 | 179.4° | 179.9° |
O4 | C4 | N3 | H3 | 0.4° | 0.0° |
O4 | C4 | N3 | C2 | 179.6° | 180.0° |
C4 | N3 | H3 | C2 | 180.0° | 180.0° |
C4 | N3 | C2 | N1 | 0.4° | 0.0° |
C4 | N3 | C2 | O2 | 179.1° | 180.0° |
H3 | N3 | C2 | N1 | 179.6° | 180.0° |
H3 | N3 | C2 | O2 | 0.9° | 0.0° |
N3 | C2 | N1 | O2 | 179.5° | 180.0° |
N3 | C2 | N1 | C6 | 0.3° | 0.0° |
N3 | C2 | N1 | C1' | 179.3° | 180.0° |
C2 | N1 | C6 | C1' | 179.0° | 180.0° |
C2 | N1 | C6 | H6 | 179.1° | 179.9° |
C2 | N1 | C1' | C2' | 91.8° | 94.3° |
C2 | N1 | C1' | H1' | 29.1° | 30.0° |
C2 | N1 | C1' | O4' | 149.8° | 147.8° |
O2 | C2 | N1 | C6 | 179.7° | 180.0° |
O2 | C2 | N1 | C1' | 1.2° | 0.0° |
C6 | N1 | C1' | C2' | 89.4° | 85.7° |
C6 | N1 | C1' | H1' | 149.7° | 150.0° |
C6 | N1 | C1' | O4' | 29.0° | 32.2° |
H6 | C6 | N1 | C1' | 0.1° | 0.1° |
N1 | C1' | C2' | H1' | 120.0° | 121.4° |
N1 | C1' | C2' | O4' | 119.3° | 119.3° |
N1 | C1' | H1' | O4' | 120.4° | 117.8° |
N1 | C1' | O4' | C4' | 132.3° | 132.9° |
N1 | C1' | C2' | O2' | 130.4° | 89.4° |
N1 | C1' | C2' | H2' | 10.1° | 32.7° |
N1 | C1' | C2' | C3' | 112.1° | 150.0° |
C2' | C1' | H1' | O4' | 119.5° | 117.9° |
C2' | C1' | O4' | C4' | 13.1° | 11.3° |
C1' | C2' | O2' | H2' | 124.0° | 123.5° |
C1' | C2' | O2' | C3' | 113.2° | 114.5° |
C1' | C2' | H2' | C3' | 117.7° | 112.3° |
C1' | C2' | O2' | HO'2 | 5.3° | 54.3° |
C1' | C2' | C3' | C4' | 23.4° | 37.1° |
C1' | C2' | C3' | H3' | 99.3° | 161.1° |
C1' | C2' | C3' | O3' | 141.3° | 77.4° |
H1' | C1' | O4' | C4' | 107.7° | 110.3° |
H1' | C1' | C2' | O2' | 10.4° | 32.1° |
H1' | C1' | C2' | H2' | 109.8° | 154.2° |
H1' | C1' | C2' | C3' | 127.9° | 88.5° |
O4' | C1' | C2' | O2' | 110.2° | 151.3° |
O4' | C1' | C2' | H2' | 129.5° | 86.6° |
O4' | C1' | C2' | C3' | 7.2° | 30.7° |
C1' | O4' | C4' | C3' | 27.9° | 12.8° |
C1' | O4' | C4' | H4' | 93.4° | 133.0° |
C1' | O4' | C4' | C5' | 149.2° | 109.0° |
O4' | C4' | C3' | C2' | 31.6° | 31.5° |
O4' | C4' | C3' | H4' | 122.0° | 117.2° |
O4' | C4' | C3' | C5' | 120.5° | 118.4° |
O4' | C4' | C3' | H3' | 90.6° | 155.2° |
O4' | C4' | C3' | O3' | 149.9° | 84.7° |
O4' | C4' | H4' | C5' | 121.1° | 117.3° |
O4' | C4' | C5' | H5'1 | 67.5° | 57.1° |
O4' | C4' | C5' | H5'2 | 173.5° | 178.0° |
O4' | C4' | C5' | O5' | 52.5° | 62.4° |
O2' | C2' | H2' | C3' | 121.9° | 123.3° |
O2' | C2' | C3' | C4' | 92.5° | 158.0° |
O2' | C2' | C3' | H3' | 144.8° | 78.0° |
O2' | C2' | C3' | O3' | 25.4° | 43.5° |
H2' | C2' | O2' | HO'2 | 118.8° | 69.2° |
H2' | C2' | C3' | C4' | 147.1° | 80.9° |
H2' | C2' | C3' | H3' | 24.4° | 43.1° |
H2' | C2' | C3' | O3' | 95.1° | 164.6° |
C3' | C2' | O2' | HO'2 | 118.4° | 168.8° |
C2' | C3' | C4' | H3' | 122.2° | 123.7° |
C2' | C3' | C4' | O3' | 118.4° | 116.3° |
C2' | C3' | H3' | O3' | 121.4° | 122.8° |
C2' | C3' | O3' | H3T | 26.8° | 95.6° |
C2' | C3' | C4' | H4' | 90.4° | 148.7° |
C2' | C3' | C4' | C5' | 152.1° | 86.9° |
C4' | C3' | H3' | O3' | 120.9° | 120.1° |
C4' | C3' | O3' | H3T | 87.8° | 15.2° |
C3' | C4' | H4' | C5' | 121.8° | 126.5° |
C3' | C4' | C5' | H5'1 | 176.0° | 60.0° |
C3' | C4' | C5' | H5'2 | 56.9° | 60.9° |
C3' | C4' | C5' | O5' | 64.0° | 179.5° |
H3' | C3' | O3' | H3T | 149.2° | 139.4° |
H3' | C3' | C4' | H4' | 147.4° | 87.6° |
H3' | C3' | C4' | C5' | 29.9° | 36.8° |
O3' | C3' | C4' | H4' | 27.9° | 32.5° |
O3' | C3' | C4' | C5' | 89.5° | 156.8° |
H4' | C4' | C5' | H5'1 | 54.6° | 174.1° |
H4' | C4' | C5' | H5'2 | 64.5° | 65.0° |
H4' | C4' | C5' | O5' | 174.6° | 54.6° |
C4' | C5' | H5'1 | H5'2 | 121.0° | 121.2° |
C4' | C5' | H5'1 | O5' | 118.0° | 119.2° |
C4' | C5' | H5'2 | O5' | 118.7° | 119.2° |
C4' | C5' | O5' | P | 179.5° | 180.0° |
H5'1 | C5' | H5'2 | O5' | 120.7° | 119.6° |
H5'1 | C5' | O5' | P | 60.5° | 59.9° |
H5'2 | C5' | O5' | P | 58.6° | 59.9° |
C5' | O5' | P | O1P | 157.6° | 179.9° |
C5' | O5' | P | O2P | 24.5° | 53.2° |
C5' | O5' | P | O3P | 58.3° | 54.2° |
O5' | P | O1P | O2P | 126.7° | 120.7° |
O5' | P | O1P | O3P | 152.9° | 119.3° |
O5' | P | O2P | O3P | 160.9° | 107.1° |
O5' | P | O2P | HOP2 | 51.2° | 175.4° |
O5' | P | O3P | HOP3 | 90.0° | 173.8° |
O1P | P | O2P | O3P | 34.3° | 126.2° |
O1P | P | O2P | HOP2 | 177.8° | 48.7° |
O1P | P | O3P | HOP3 | 90.0° | 48.0° |
O2P | P | O3P | HOP3 | 90.0° | 78.5° |
O3P | P | O2P | HOP2 | 147.9° | 77.5° |