CRP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CL0 | C4' | sing | 1.74Å | 1.86Å | |
C1' | C2' | doub | 1.38Å | 1.38Å | Aromatic |
C1' | C6' | sing | 1.38Å | 1.40Å | Aromatic |
C1' | C7' | sing | 1.51Å | 1.53Å | |
C2' | C3' | sing | 1.38Å | 1.39Å | Aromatic |
C2' | H2' | sing | 1.08Å | 1.10Å | |
C3' | C4' | doub | 1.38Å | 1.39Å | Aromatic |
C3' | H3' | sing | 1.08Å | 1.10Å | |
C4' | C5' | sing | 1.38Å | 1.38Å | Aromatic |
C5' | C6' | doub | 1.38Å | 1.38Å | Aromatic |
C5' | H5' | sing | 1.08Å | 1.10Å | |
C6' | H6' | sing | 1.08Å | 1.10Å | |
C7' | C8' | sing | 1.53Å | 1.51Å | |
C7' | N | sing | 1.46Å | 1.46Å | |
C7' | H7' | sing | 1.09Å | 1.12Å | |
C8' | H8'1 | sing | 1.09Å | 1.12Å | |
C8' | H8'2 | sing | 1.09Å | 1.11Å | |
C8' | H8'3 | sing | 1.09Å | 1.11Å | |
N | C | sing | 1.35Å | 1.35Å | |
N | HN | sing | 0.97Å | 1.02Å | |
C | O | doub | 1.21Å | 1.24Å | |
C | C1 | sing | 1.51Å | 1.53Å | |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C1 | C3 | sing | 1.53Å | 1.53Å | |
C1 | C5 | sing | 1.53Å | 1.52Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C2 | CL1 | sing | 1.80Å | 1.77Å | |
C2 | CL2 | sing | 1.80Å | 1.75Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | H41 | sing | 1.09Å | 1.11Å | |
C4 | H42 | sing | 1.09Å | 1.11Å | |
C4 | H43 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.53Å | 1.50Å | |
C5 | H51 | sing | 1.09Å | 1.11Å | |
C5 | H52 | sing | 1.09Å | 1.12Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
C6 | H63 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CL0 | C4' | C3' | 120.2° | 120.1° |
CL0 | C4' | C5' | 119.5° | 120.0° |
C2' | C1' | C6' | 119.4° | 120.0° |
C2' | C1' | C7' | 120.3° | 120.0° |
C1' | C2' | C3' | 119.8° | 120.0° |
C1' | C2' | H2' | 119.6° | 120.0° |
C6' | C1' | C7' | 120.3° | 120.0° |
C1' | C6' | C5' | 121.0° | 120.0° |
C1' | C6' | H6' | 119.9° | 119.9° |
C1' | C7' | C8' | 108.1° | 109.5° |
C1' | C7' | N | 107.3° | 109.5° |
C1' | C7' | H7' | 113.1° | 109.5° |
C3' | C2' | H2' | 120.5° | 120.0° |
C2' | C3' | C4' | 120.2° | 120.0° |
C2' | C3' | H3' | 120.0° | 120.0° |
C4' | C3' | H3' | 119.8° | 120.0° |
C3' | C4' | C5' | 120.3° | 119.9° |
C4' | C5' | C6' | 119.4° | 120.0° |
C4' | C5' | H5' | 120.1° | 120.0° |
C6' | C5' | H5' | 120.5° | 120.0° |
C5' | C6' | H6' | 119.1° | 120.0° |
C8' | C7' | N | 113.1° | 109.4° |
C8' | C7' | H7' | 107.3° | 109.4° |
C7' | C8' | H8'1 | 108.0° | 109.5° |
C7' | C8' | H8'2 | 112.7° | 109.5° |
C7' | C8' | H8'3 | 112.7° | 109.4° |
N | C7' | H7' | 108.1° | 109.5° |
C7' | N | C | 120.5° | 120.0° |
C7' | N | HN | 123.7° | 120.0° |
H8'1 | C8' | H8'2 | 112.8° | 109.5° |
H8'1 | C8' | H8'3 | 112.7° | 109.5° |
H8'2 | C8' | H8'3 | 97.8° | 109.5° |
C | N | HN | 115.7° | 120.0° |
N | C | O | 120.3° | 120.0° |
N | C | C1 | 114.8° | 120.0° |
O | C | C1 | 124.9° | 120.0° |
C | C1 | C2 | 118.8° | 117.5° |
C | C1 | C3 | 128.7° | 117.4° |
C | C1 | C5 | 107.3° | 115.6° |
C2 | C1 | C3 | 59.5° | 60.0° |
C2 | C1 | C5 | 118.4° | 117.5° |
C1 | C2 | C3 | 61.1° | 60.0° |
C1 | C2 | CL1 | 117.7° | 117.5° |
C1 | C2 | CL2 | 120.7° | 117.5° |
C3 | C1 | C5 | 117.2° | 117.5° |
C1 | C3 | C2 | 59.4° | 60.0° |
C1 | C3 | C4 | 120.0° | 117.5° |
C1 | C3 | H3 | 134.4° | 117.6° |
C1 | C5 | C6 | 123.8° | 109.4° |
C1 | C5 | H51 | 107.1° | 109.6° |
C1 | C5 | H52 | 107.1° | 109.5° |
C3 | C2 | CL1 | 120.3° | 117.5° |
C3 | C2 | CL2 | 119.2° | 117.5° |
C2 | C3 | C4 | 117.8° | 117.5° |
C2 | C3 | H3 | 136.2° | 117.6° |
CL1 | C2 | CL2 | 110.3° | 115.6° |
C4 | C3 | H3 | 91.3° | 115.5° |
C3 | C4 | H41 | 120.0° | 109.5° |
C3 | C4 | H42 | 108.4° | 109.4° |
C3 | C4 | H43 | 108.4° | 109.5° |
H41 | C4 | H42 | 108.5° | 109.4° |
H41 | C4 | H43 | 108.4° | 109.5° |
H42 | C4 | H43 | 101.5° | 109.5° |
C6 | C5 | H51 | 107.2° | 109.4° |
C6 | C5 | H52 | 107.1° | 109.4° |
C5 | C6 | H61 | 123.8° | 109.5° |
C5 | C6 | H62 | 107.1° | 109.5° |
C5 | C6 | H63 | 107.1° | 109.4° |
H51 | C5 | H52 | 102.5° | 109.5° |
H61 | C6 | H62 | 107.2° | 109.5° |
H61 | C6 | H63 | 107.2° | 109.5° |
H62 | C6 | H63 | 102.6° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CL0 | C4' | C3' | C2' | 178.7° | 180.0° |
CL0 | C4' | C3' | C5' | 179.1° | 179.9° |
CL0 | C4' | C3' | H3' | 1.4° | 0.1° |
CL0 | C4' | C5' | C6' | 179.0° | 179.7° |
CL0 | C4' | C5' | H5' | 1.0° | 0.0° |
C2' | C1' | C6' | C7' | 178.2° | 179.8° |
C1' | C2' | C3' | H2' | 179.9° | 179.9° |
C1' | C2' | C3' | C4' | 0.3° | 0.1° |
C1' | C2' | C3' | H3' | 179.6° | 180.0° |
C2' | C1' | C6' | C5' | 0.4° | 0.4° |
C2' | C1' | C6' | H6' | 179.6° | 180.0° |
C2' | C1' | C7' | C8' | 109.0° | 89.9° |
C2' | C1' | C7' | N | 128.7° | 150.1° |
C2' | C1' | C7' | H7' | 9.7° | 30.0° |
C6' | C1' | C2' | C3' | 0.1° | 0.2° |
C6' | C1' | C2' | H2' | 179.9° | 179.7° |
C1' | C6' | C5' | C4' | 0.3° | 0.4° |
C1' | C6' | C5' | H6' | 180.0° | 179.5° |
C1' | C6' | C5' | H5' | 179.8° | 179.8° |
C6' | C1' | C7' | C8' | 69.1° | 90.2° |
C6' | C1' | C7' | N | 53.1° | 29.7° |
C6' | C1' | C7' | H7' | 172.2° | 149.8° |
C7' | C1' | C2' | C3' | 178.1° | 180.0° |
C7' | C1' | C2' | H2' | 2.0° | 0.1° |
C7' | C1' | C6' | C5' | 177.8° | 179.7° |
C7' | C1' | C6' | H6' | 2.2° | 0.2° |
C1' | C7' | C8' | N | 118.6° | 120.0° |
C1' | C7' | C8' | H7' | 122.3° | 120.0° |
C1' | C7' | N | H7' | 122.3° | 120.1° |
C1' | C7' | C8' | H8'1 | 180.0° | 60.0° |
C1' | C7' | C8' | H8'2 | 54.8° | 180.0° |
C1' | C7' | C8' | H8'3 | 54.8° | 60.0° |
C1' | C7' | N | C | 89.5° | 150.0° |
C1' | C7' | N | HN | 90.5° | 30.0° |
C2' | C3' | C4' | H3' | 179.9° | 180.0° |
C2' | C3' | C4' | C5' | 0.4° | 0.0° |
H2' | C2' | C3' | C4' | 179.8° | 180.0° |
H2' | C2' | C3' | H3' | 0.3° | 0.1° |
C3' | C4' | C5' | C6' | 0.1° | 0.2° |
C3' | C4' | C5' | H5' | 179.9° | 180.0° |
H3' | C3' | C4' | C5' | 179.5° | 180.0° |
C4' | C5' | C6' | H5' | 180.0° | 179.8° |
C4' | C5' | C6' | H6' | 179.7° | 180.0° |
H5' | C5' | C6' | H6' | 0.3° | 0.2° |
C8' | C7' | N | H7' | 118.7° | 119.9° |
C7' | C8' | H8'1 | H8'2 | 125.2° | 120.0° |
C7' | C8' | H8'1 | H8'3 | 125.2° | 120.0° |
C7' | C8' | H8'2 | H8'3 | 118.7° | 120.0° |
C8' | C7' | N | C | 151.4° | 90.0° |
C8' | C7' | N | HN | 28.6° | 90.0° |
N | C7' | C8' | H8'1 | 61.4° | 60.0° |
N | C7' | C8' | H8'2 | 173.4° | 60.0° |
N | C7' | C8' | H8'3 | 63.8° | 180.0° |
C7' | N | C | HN | 180.0° | 180.0° |
C7' | N | C | O | 2.6° | 5.0° |
C7' | N | C | C1 | 179.7° | 175.0° |
H7' | C7' | C8' | H8'1 | 57.7° | 180.0° |
H7' | C7' | C8' | H8'2 | 67.6° | 59.9° |
H7' | C7' | C8' | H8'3 | 177.1° | 60.1° |
H7' | C7' | N | C | 32.8° | 29.9° |
H7' | C7' | N | HN | 147.2° | 150.1° |
H8'1 | C8' | H8'2 | H8'3 | 118.7° | 120.0° |
N | C | O | C1 | 177.5° | 180.0° |
N | C | C1 | C2 | 117.6° | 147.5° |
N | C | C1 | C3 | 45.1° | 78.9° |
N | C | C1 | C5 | 104.7° | 66.7° |
HN | N | C | O | 177.4° | 175.0° |
HN | N | C | C1 | 0.3° | 5.0° |
O | C | C1 | C2 | 64.8° | 32.5° |
O | C | C1 | C3 | 137.3° | 101.1° |
O | C | C1 | C5 | 72.9° | 113.3° |
C | C1 | C2 | C3 | 120.4° | 107.4° |
C | C1 | C2 | C5 | 133.2° | 145.1° |
C | C1 | C3 | C5 | 147.3° | 145.0° |
C | C1 | C2 | CL1 | 9.2° | 145.1° |
C | C1 | C2 | CL2 | 131.0° | 0.1° |
C | C1 | C3 | C4 | 149.3° | 145.0° |
C | C1 | C3 | H3 | 22.3° | 0.0° |
C | C1 | C5 | C6 | 68.7° | 39.9° |
C | C1 | C5 | H51 | 56.6° | 80.0° |
C | C1 | C5 | H52 | 166.1° | 159.9° |
C2 | C1 | C3 | C5 | 108.6° | 107.5° |
C1 | C2 | C3 | CL1 | 107.0° | 107.5° |
C1 | C2 | C3 | CL2 | 111.1° | 107.5° |
C1 | C2 | CL1 | CL2 | 144.1° | 145.7° |
C2 | C1 | C3 | C4 | 106.5° | 107.5° |
C2 | C1 | C3 | H3 | 126.4° | 107.5° |
C2 | C1 | C5 | C6 | 153.4° | 105.9° |
C2 | C1 | C5 | H51 | 81.3° | 134.2° |
C2 | C1 | C5 | H52 | 28.1° | 14.1° |
C1 | C3 | C4 | H3 | 145.2° | 145.7° |
C1 | C3 | C4 | H41 | 179.9° | 180.0° |
C1 | C3 | C4 | H42 | 54.7° | 60.1° |
C1 | C3 | C4 | H43 | 54.8° | 59.9° |
C3 | C1 | C5 | C6 | 85.1° | 174.5° |
C3 | C1 | C5 | H51 | 149.6° | 65.6° |
C3 | C1 | C5 | H52 | 40.1° | 54.5° |
C5 | C1 | C2 | CL1 | 142.4° | 0.1° |
C5 | C1 | C2 | CL2 | 2.2° | 145.1° |
C5 | C1 | C3 | C4 | 2.1° | 0.0° |
C5 | C1 | C3 | H3 | 125.0° | 145.0° |
C1 | C5 | C6 | H51 | 125.3° | 120.0° |
C1 | C5 | C6 | H52 | 125.3° | 120.0° |
C1 | C5 | H51 | H52 | 112.6° | 120.1° |
C1 | C5 | C6 | H61 | 180.0° | 174.8° |
C1 | C5 | C6 | H62 | 54.7° | 65.2° |
C1 | C5 | C6 | H63 | 54.8° | 54.7° |
C3 | C2 | CL1 | CL2 | 144.9° | 145.7° |
C2 | C3 | C4 | H3 | 145.9° | 145.7° |
C2 | C3 | C4 | H41 | 111.1° | 111.4° |
C2 | C3 | C4 | H42 | 123.6° | 128.7° |
C2 | C3 | C4 | H43 | 14.1° | 8.7° |
CL1 | C2 | C3 | C4 | 142.8° | 0.0° |
CL1 | C2 | C3 | H3 | 16.8° | 145.0° |
CL2 | C2 | C3 | C4 | 1.0° | 145.1° |
CL2 | C2 | C3 | H3 | 125.0° | 0.1° |
C3 | C4 | H41 | H42 | 125.4° | 119.9° |
C3 | C4 | H41 | H43 | 125.2° | 120.1° |
C3 | C4 | H42 | H43 | 114.1° | 120.1° |
H3 | C3 | C4 | H41 | 34.9° | 34.3° |
H3 | C3 | C4 | H42 | 90.5° | 85.6° |
H3 | C3 | C4 | H43 | 160.0° | 154.3° |
H41 | C4 | H42 | H43 | 114.0° | 120.0° |
C6 | C5 | H51 | H52 | 112.6° | 119.9° |
C5 | C6 | H61 | H62 | 125.2° | 120.0° |
C5 | C6 | H61 | H63 | 125.2° | 120.0° |
C5 | C6 | H62 | H63 | 112.6° | 119.9° |
H51 | C5 | C6 | H61 | 54.7° | 65.2° |
H51 | C5 | C6 | H62 | 180.0° | 54.8° |
H51 | C5 | C6 | H63 | 70.5° | 174.8° |
H52 | C5 | C6 | H61 | 54.7° | 54.8° |
H52 | C5 | C6 | H62 | 70.5° | 174.8° |
H52 | C5 | C6 | H63 | 179.9° | 65.3° |
H61 | C6 | H62 | H63 | 112.7° | 120.1° |