RS3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C4 | C4A | sing | 1.48Å | 1.39Å | |
C4 | O4 | doub | 1.22Å | 1.26Å | |
N3 | C4 | sing | 1.35Å | 1.36Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
C2 | N1 | sing | 1.33Å | 1.36Å | |
C2 | N3 | sing | 1.34Å | 1.36Å | |
O2 | C2 | doub | 1.22Å | 1.26Å | |
C4A | N5 | doub | 1.31Å | 1.35Å | |
C10 | N10 | sing | 1.36Å | 1.36Å | |
C10 | C4A | sing | 1.47Å | 1.40Å | |
N1 | C10 | doub | 1.32Å | 1.36Å | |
N5 | C5A | sing | 1.34Å | 1.35Å | |
C5A | C6 | doub | 1.41Å | 1.39Å | Aromatic |
C6 | C7 | sing | 1.36Å | 1.39Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | C7M | sing | 1.51Å | 1.51Å | |
C7M | H17M | sing | 1.09Å | 1.10Å | |
C7M | H27M | sing | 1.09Å | 1.10Å | |
C7M | H37M | sing | 1.09Å | 1.10Å | |
C8 | N8 | sing | 1.39Å | 1.37Å | |
C8 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
N8 | C20 | sing | 1.47Å | 1.45Å | |
C19 | N8 | sing | 1.47Å | 1.45Å | |
C19 | H119 | sing | 1.09Å | 1.10Å | |
C19 | H219 | sing | 1.09Å | 1.10Å | |
C19 | H319 | sing | 1.09Å | 1.10Å | |
C20 | H120 | sing | 1.09Å | 1.10Å | |
C20 | H220 | sing | 1.09Å | 1.10Å | |
C20 | H320 | sing | 1.09Å | 1.10Å | |
C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C9A | C9 | doub | 1.39Å | 1.39Å | Aromatic |
C9A | C5A | sing | 1.42Å | 1.39Å | Aromatic |
N10 | C9A | sing | 1.38Å | 1.35Å | |
C1' | N10 | sing | 1.47Å | 1.48Å | |
C1' | H11' | sing | 1.09Å | 1.10Å | |
C1' | H21' | sing | 1.09Å | 1.10Å | |
C2' | C1' | sing | 1.53Å | 1.53Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | C2' | sing | 1.43Å | 1.43Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C3' | C4' | sing | 1.53Å | 1.52Å | |
C3' | C2' | sing | 1.53Å | 1.53Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | C3' | sing | 1.43Å | 1.42Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C4' | O4' | sing | 1.43Å | 1.42Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | HO4' | sing | 0.97Å | 0.95Å | |
C5' | C4' | sing | 1.53Å | 1.52Å | |
C5' | H15' | sing | 1.09Å | 1.10Å | |
C5' | H25' | sing | 1.09Å | 1.10Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
O5' | HO5' | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C4A | C4 | O4 | 120.0° | 121.4° |
C4A | C4 | N3 | 119.4° | 117.2° |
C4 | C4A | N5 | 119.9° | 122.2° |
C4 | C4A | C10 | 119.8° | 117.3° |
O4 | C4 | N3 | 120.6° | 121.4° |
C4 | N3 | HN3 | 119.6° | 119.4° |
C4 | N3 | C2 | 120.9° | 121.3° |
HN3 | N3 | C2 | 119.5° | 119.3° |
N1 | C2 | N3 | 120.4° | 124.0° |
N1 | C2 | O2 | 120.4° | 118.0° |
C2 | N1 | C10 | 121.0° | 121.5° |
N3 | C2 | O2 | 119.2° | 118.0° |
N5 | C4A | C10 | 120.4° | 120.5° |
C4A | N5 | C5A | 119.8° | 120.8° |
N10 | C10 | C4A | 119.7° | 119.0° |
N10 | C10 | N1 | 121.7° | 122.3° |
C10 | N10 | C9A | 119.7° | 118.5° |
C10 | N10 | C1' | 120.4° | 120.7° |
C4A | C10 | N1 | 118.6° | 118.7° |
N5 | C5A | C6 | 119.4° | 119.7° |
N5 | C5A | C9A | 120.2° | 120.9° |
C5A | C6 | C7 | 120.8° | 120.0° |
C5A | C6 | H6 | 119.6° | 120.0° |
C6 | C5A | C9A | 120.4° | 119.4° |
C7 | C6 | H6 | 119.6° | 120.0° |
C6 | C7 | C7M | 118.0° | 119.7° |
C6 | C7 | C8 | 119.7° | 120.6° |
C7 | C7M | H17M | 109.5° | 109.4° |
C7 | C7M | H27M | 109.4° | 109.4° |
C7 | C7M | H37M | 109.5° | 109.5° |
C7M | C7 | C8 | 122.3° | 119.7° |
H17M | C7M | H27M | 109.5° | 109.5° |
H17M | C7M | H37M | 109.4° | 109.5° |
H27M | C7M | H37M | 109.5° | 109.5° |
N8 | C8 | C7 | 123.0° | 119.8° |
C8 | N8 | C20 | 122.6° | 111.0° |
C8 | N8 | C19 | 119.7° | 111.0° |
N8 | C8 | C9 | 118.2° | 119.7° |
C7 | C8 | C9 | 118.8° | 120.5° |
C20 | N8 | C19 | 117.7° | 111.0° |
N8 | C20 | H120 | 109.5° | 109.5° |
N8 | C20 | H220 | 109.5° | 109.5° |
N8 | C20 | H320 | 109.4° | 109.5° |
N8 | C19 | H119 | 109.5° | 109.5° |
N8 | C19 | H219 | 109.5° | 109.4° |
N8 | C19 | H319 | 109.5° | 109.5° |
H119 | C19 | H219 | 109.5° | 109.5° |
H119 | C19 | H319 | 109.4° | 109.5° |
H219 | C19 | H319 | 109.5° | 109.5° |
H120 | C20 | H220 | 109.5° | 109.4° |
H120 | C20 | H320 | 109.5° | 109.4° |
H220 | C20 | H320 | 109.5° | 109.4° |
C8 | C9 | H9 | 119.2° | 120.1° |
C8 | C9 | C9A | 121.6° | 119.8° |
H9 | C9 | C9A | 119.2° | 120.1° |
C9 | C9A | C5A | 118.6° | 119.7° |
C9 | C9A | N10 | 121.1° | 120.0° |
C5A | C9A | N10 | 120.3° | 120.3° |
C9A | N10 | C1' | 119.9° | 120.8° |
N10 | C1' | H11' | 109.1° | 109.4° |
N10 | C1' | H21' | 108.8° | 109.4° |
N10 | C1' | C2' | 110.7° | 109.5° |
H11' | C1' | H21' | 110.4° | 109.4° |
H11' | C1' | C2' | 109.1° | 109.5° |
H21' | C1' | C2' | 108.8° | 109.5° |
C1' | C2' | H2' | 107.4° | 109.5° |
C1' | C2' | O2' | 108.1° | 109.5° |
C1' | C2' | C3' | 113.5° | 109.5° |
H2' | C2' | O2' | 112.5° | 109.4° |
H2' | C2' | C3' | 107.0° | 109.5° |
C2' | O2' | HO2' | 109.5° | 114.0° |
O2' | C2' | C3' | 108.5° | 109.5° |
C4' | C3' | C2' | 115.0° | 109.5° |
C4' | C3' | H3' | 107.5° | 109.5° |
C4' | C3' | O3' | 107.2° | 109.5° |
C3' | C4' | O4' | 110.3° | 109.5° |
C3' | C4' | H4' | 107.9° | 109.4° |
C3' | C4' | C5' | 110.6° | 109.4° |
C2' | C3' | H3' | 104.5° | 109.4° |
C2' | C3' | O3' | 110.0° | 109.4° |
H3' | C3' | O3' | 112.7° | 109.5° |
C3' | O3' | HO3' | 109.5° | 114.0° |
O4' | C4' | H4' | 109.9° | 109.5° |
C4' | O4' | HO4' | 109.5° | 114.0° |
O4' | C4' | C5' | 108.6° | 109.5° |
H4' | C4' | C5' | 109.6° | 109.5° |
C4' | C5' | H15' | 109.5° | 109.5° |
C4' | C5' | H25' | 109.6° | 109.5° |
C4' | C5' | O5' | 109.3° | 109.4° |
H15' | C5' | H25' | 109.3° | 109.5° |
H15' | C5' | O5' | 109.5° | 109.4° |
H25' | C5' | O5' | 109.6° | 109.5° |
C5' | O5' | HO5' | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C4A | C4 | O4 | N3 | 179.9° | 179.7° |
C4A | C4 | N3 | HN3 | 180.0° | 180.0° |
C4A | C4 | N3 | C2 | 0.0° | 0.0° |
C4 | C4A | N5 | C10 | 179.7° | 180.0° |
C4 | C4A | C10 | N10 | 179.7° | 180.0° |
C4 | C4A | C10 | N1 | 0.2° | 0.6° |
C4 | C4A | N5 | C5A | 179.9° | 180.0° |
O4 | C4 | N3 | HN3 | 0.1° | 0.3° |
O4 | C4 | N3 | C2 | 179.9° | 179.7° |
O4 | C4 | C4A | N5 | 0.3° | 0.0° |
O4 | C4 | C4A | C10 | 180.0° | 180.0° |
C4 | N3 | HN3 | C2 | 180.0° | 180.0° |
C4 | N3 | C2 | N1 | 0.0° | 0.1° |
C4 | N3 | C2 | O2 | 179.8° | 180.0° |
N3 | C4 | C4A | N5 | 179.7° | 179.7° |
N3 | C4 | C4A | C10 | 0.0° | 0.3° |
HN3 | N3 | C2 | N1 | 180.0° | 179.9° |
HN3 | N3 | C2 | O2 | 0.2° | 0.0° |
N1 | C2 | N3 | O2 | 179.7° | 179.9° |
C2 | N1 | C10 | N10 | 179.8° | 179.9° |
C2 | N1 | C10 | C4A | 0.2° | 0.6° |
N3 | C2 | N1 | C10 | 0.2° | 0.4° |
O2 | C2 | N1 | C10 | 179.9° | 179.7° |
N5 | C4A | C10 | N10 | 0.5° | 0.0° |
N5 | C4A | C10 | N1 | 179.9° | 179.4° |
C4A | N5 | C5A | C6 | 180.0° | 180.0° |
C4A | N5 | C5A | C9A | 0.0° | 0.0° |
N10 | C10 | C4A | N1 | 179.6° | 179.5° |
C10 | N10 | C9A | C9 | 179.5° | 180.0° |
C10 | N10 | C9A | C5A | 0.6° | 0.0° |
C10 | N10 | C9A | C1' | 178.8° | 179.9° |
C10 | N10 | C1' | H11' | 151.2° | 150.0° |
C10 | N10 | C1' | H21' | 30.7° | 30.1° |
C10 | N10 | C1' | C2' | 88.8° | 90.0° |
C10 | C4A | N5 | C5A | 0.2° | 0.0° |
C4A | C10 | N10 | C9A | 0.7° | 0.0° |
C4A | C10 | N10 | C1' | 179.5° | 180.0° |
N1 | C10 | N10 | C9A | 179.7° | 179.4° |
N1 | C10 | N10 | C1' | 0.9° | 0.5° |
N5 | C5A | C6 | C9A | 180.0° | 180.0° |
N5 | C5A | C6 | C7 | 179.9° | 179.9° |
N5 | C5A | C6 | H6 | 0.2° | 0.1° |
N5 | C5A | C9A | C9 | 179.8° | 180.0° |
N5 | C5A | C9A | N10 | 0.3° | 0.0° |
C5A | C6 | C7 | H6 | 180.0° | 179.8° |
C5A | C6 | C7 | C7M | 179.9° | 180.0° |
C5A | C6 | C7 | C8 | 0.0° | 0.1° |
C6 | C5A | C9A | C9 | 0.2° | 0.0° |
C6 | C5A | C9A | N10 | 179.8° | 180.0° |
C6 | C7 | C7M | C8 | 180.0° | 179.9° |
C6 | C7 | C7M | H17M | 101.7° | 90.0° |
C6 | C7 | C7M | H27M | 138.3° | 150.0° |
C6 | C7 | C7M | H37M | 18.2° | 30.0° |
C6 | C7 | C8 | N8 | 180.0° | 180.0° |
C6 | C7 | C8 | C9 | 0.1° | 0.0° |
C7 | C6 | C5A | C9A | 0.1° | 0.1° |
H6 | C6 | C7 | C7M | 0.0° | 0.1° |
H6 | C6 | C7 | C8 | 180.0° | 179.9° |
H6 | C6 | C5A | C9A | 179.9° | 179.9° |
C7 | C7M | H17M | H27M | 120.0° | 120.0° |
C7 | C7M | H17M | H37M | 120.0° | 120.0° |
C7 | C7M | H27M | H37M | 120.0° | 120.0° |
C7M | C7 | C8 | N8 | 0.0° | 0.0° |
C7M | C7 | C8 | C9 | 179.9° | 179.9° |
H17M | C7M | H27M | H37M | 120.0° | 120.1° |
H17M | C7M | C7 | C8 | 78.3° | 90.0° |
H27M | C7M | C7 | C8 | 41.7° | 30.0° |
H37M | C7M | C7 | C8 | 161.7° | 150.0° |
N8 | C8 | C7 | C9 | 179.9° | 180.0° |
C8 | N8 | C20 | C19 | 179.8° | 123.9° |
C8 | N8 | C19 | H119 | 176.3° | 60.0° |
C8 | N8 | C19 | H219 | 56.3° | 180.0° |
C8 | N8 | C19 | H319 | 63.7° | 60.0° |
C8 | N8 | C20 | H120 | 16.0° | 60.0° |
C8 | N8 | C20 | H220 | 136.1° | 180.0° |
C8 | N8 | C20 | H320 | 103.9° | 60.0° |
N8 | C8 | C9 | H9 | 0.1° | 0.0° |
N8 | C8 | C9 | C9A | 179.9° | 180.0° |
C7 | C8 | N8 | C20 | 0.2° | 120.0° |
C7 | C8 | N8 | C19 | 180.0° | 116.0° |
C7 | C8 | C9 | H9 | 180.0° | 180.0° |
C7 | C8 | C9 | C9A | 0.0° | 0.0° |
C20 | N8 | C19 | H119 | 3.9° | 63.9° |
C20 | N8 | C19 | H219 | 123.9° | 56.0° |
C20 | N8 | C19 | H319 | 116.1° | 176.0° |
N8 | C20 | H120 | H220 | 120.0° | 120.1° |
N8 | C20 | H120 | H320 | 120.0° | 120.0° |
N8 | C20 | H220 | H320 | 120.0° | 120.1° |
C20 | N8 | C8 | C9 | 179.7° | 60.0° |
N8 | C19 | H119 | H219 | 120.0° | 119.9° |
N8 | C19 | H119 | H319 | 120.0° | 120.0° |
N8 | C19 | H219 | H319 | 120.0° | 120.0° |
C19 | N8 | C20 | H120 | 164.1° | 176.1° |
C19 | N8 | C20 | H220 | 44.1° | 56.1° |
C19 | N8 | C20 | H320 | 75.9° | 64.0° |
C19 | N8 | C8 | C9 | 0.1° | 63.9° |
H119 | C19 | H219 | H319 | 120.0° | 120.1° |
H120 | C20 | H220 | H320 | 120.0° | 119.9° |
C8 | C9 | H9 | C9A | 180.0° | 179.9° |
C8 | C9 | C9A | C5A | 0.1° | 0.0° |
C8 | C9 | C9A | N10 | 179.8° | 180.0° |
H9 | C9 | C9A | C5A | 179.9° | 180.0° |
H9 | C9 | C9A | N10 | 0.2° | 0.0° |
C9 | C9A | C5A | N10 | 179.9° | 180.0° |
C9 | C9A | N10 | C1' | 0.7° | 0.1° |
C5A | C9A | N10 | C1' | 179.4° | 180.0° |
C9A | N10 | C1' | H11' | 27.6° | 30.1° |
C9A | N10 | C1' | H21' | 148.1° | 150.0° |
C9A | N10 | C1' | C2' | 92.4° | 90.0° |
N10 | C1' | H11' | H21' | 119.5° | 119.9° |
N10 | C1' | H11' | C2' | 121.0° | 120.1° |
N10 | C1' | H21' | C2' | 120.7° | 120.1° |
N10 | C1' | C2' | H2' | 64.0° | 59.9° |
N10 | C1' | C2' | O2' | 57.7° | 60.0° |
N10 | C1' | C2' | C3' | 178.0° | 180.0° |
H11' | C1' | H21' | C2' | 119.7° | 120.0° |
H11' | C1' | C2' | H2' | 56.1° | 60.1° |
H11' | C1' | C2' | O2' | 177.7° | 180.0° |
H11' | C1' | C2' | C3' | 62.0° | 60.0° |
H21' | C1' | C2' | H2' | 176.6° | 179.9° |
H21' | C1' | C2' | O2' | 61.8° | 60.0° |
H21' | C1' | C2' | C3' | 58.5° | 60.0° |
C1' | C2' | H2' | O2' | 118.8° | 119.9° |
C1' | C2' | H2' | C3' | 122.2° | 120.0° |
C1' | C2' | O2' | C3' | 123.4° | 120.0° |
C1' | C2' | O2' | HO2' | 133.4° | 60.0° |
C1' | C2' | C3' | C4' | 68.0° | 180.0° |
C1' | C2' | C3' | H3' | 174.4° | 60.0° |
C1' | C2' | C3' | O3' | 53.1° | 60.0° |
H2' | C2' | O2' | C3' | 118.1° | 120.0° |
H2' | C2' | O2' | HO2' | 108.2° | 180.0° |
H2' | C2' | C3' | C4' | 50.3° | 60.0° |
H2' | C2' | C3' | H3' | 67.3° | 180.0° |
H2' | C2' | C3' | O3' | 171.4° | 60.0° |
O2' | C2' | C3' | C4' | 171.8° | 60.0° |
O2' | C2' | C3' | H3' | 54.2° | 60.0° |
O2' | C2' | C3' | O3' | 67.0° | 180.0° |
HO2' | O2' | C2' | C3' | 10.0° | 60.0° |
C4' | C3' | C2' | H3' | 117.6° | 120.0° |
C4' | C3' | C2' | O3' | 121.1° | 120.1° |
C4' | C3' | H3' | O3' | 117.9° | 120.1° |
C4' | C3' | O3' | HO3' | 126.2° | 59.9° |
C3' | C4' | O4' | H4' | 118.8° | 120.0° |
C3' | C4' | O4' | C5' | 121.3° | 120.0° |
C3' | C4' | H4' | C5' | 120.5° | 119.9° |
C3' | C4' | O4' | HO4' | 122.2° | 60.0° |
C3' | C4' | C5' | H15' | 40.6° | 55.0° |
C3' | C4' | C5' | H25' | 160.5° | 65.1° |
C3' | C4' | C5' | O5' | 79.4° | 175.0° |
C2' | C3' | H3' | O3' | 119.5° | 119.9° |
C2' | C3' | O3' | HO3' | 108.1° | 60.1° |
C2' | C3' | C4' | O4' | 24.2° | 60.0° |
C2' | C3' | C4' | H4' | 95.9° | 60.0° |
C2' | C3' | C4' | C5' | 144.3° | 180.0° |
H3' | C3' | O3' | HO3' | 8.1° | 180.0° |
H3' | C3' | C4' | O4' | 91.8° | 60.0° |
H3' | C3' | C4' | H4' | 148.2° | 180.0° |
H3' | C3' | C4' | C5' | 28.3° | 60.0° |
O3' | C3' | C4' | O4' | 146.8° | 180.0° |
O3' | C3' | C4' | H4' | 26.8° | 60.0° |
O3' | C3' | C4' | C5' | 93.1° | 60.0° |
O4' | C4' | H4' | C5' | 119.2° | 120.1° |
O4' | C4' | C5' | H15' | 80.6° | 175.0° |
O4' | C4' | C5' | H25' | 39.4° | 54.9° |
O4' | C4' | C5' | O5' | 159.4° | 65.0° |
H4' | C4' | O4' | HO4' | 3.4° | 180.0° |
H4' | C4' | C5' | H15' | 159.4° | 64.9° |
H4' | C4' | C5' | H25' | 80.7° | 175.0° |
H4' | C4' | C5' | O5' | 39.4° | 55.1° |
HO4' | O4' | C4' | C5' | 116.5° | 59.9° |
C4' | C5' | H15' | H25' | 120.1° | 120.0° |
C4' | C5' | H15' | O5' | 119.8° | 119.9° |
C4' | C5' | H25' | O5' | 119.9° | 120.0° |
C4' | C5' | O5' | HO5' | 123.5° | 180.0° |
H15' | C5' | H25' | O5' | 120.0° | 120.0° |
H15' | C5' | O5' | HO5' | 3.5° | 60.0° |
H25' | C5' | O5' | HO5' | 116.4° | 60.0° |