AAP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | CA | sing | 1.51Å | 1.50Å | |
C | O | doub | 1.21Å | 1.24Å | |
C | N | sing | 1.35Å | 1.33Å | |
CA | C1 | sing | 1.51Å | 1.55Å | |
CA | N' | sing | 1.46Å | 1.44Å | |
CA | HA | sing | 1.09Å | 1.12Å | |
N | HN1 | sing | 0.97Å | 1.02Å | |
N | HN2 | sing | 0.97Å | 1.02Å | |
C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
C2 | CL2 | sing | 1.74Å | 1.74Å | |
C3 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.10Å | |
C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.10Å | |
C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | CL6 | sing | 1.74Å | 1.70Å | |
N' | C1' | sing | 1.39Å | 1.38Å | |
N' | HN' | sing | 0.97Å | 1.02Å | |
C1' | C2' | doub | 1.41Å | 1.41Å | Aromatic |
C1' | C6' | sing | 1.39Å | 1.39Å | Aromatic |
C2' | C3' | sing | 1.40Å | 1.37Å | Aromatic |
C2' | C' | sing | 1.47Å | 1.55Å | |
C3' | C4' | doub | 1.38Å | 1.38Å | Aromatic |
C3' | H3' | sing | 1.08Å | 1.10Å | |
C4' | C5' | sing | 1.39Å | 1.37Å | Aromatic |
C4' | H4' | sing | 1.08Å | 1.10Å | |
C5' | C6' | doub | 1.38Å | 1.38Å | Aromatic |
C5' | CM5 | sing | 1.51Å | 1.54Å | |
C6' | H6' | sing | 1.08Å | 1.10Å | |
C' | O' | doub | 1.21Å | 1.24Å | |
C' | CM' | sing | 1.51Å | 1.53Å | |
CM' | HM'1 | sing | 1.09Å | 1.11Å | |
CM' | HM'2 | sing | 1.09Å | 1.12Å | |
CM' | HM'3 | sing | 1.09Å | 1.11Å | |
CM5 | HM51 | sing | 1.09Å | 1.12Å | |
CM5 | HM52 | sing | 1.09Å | 1.11Å | |
CM5 | HM53 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | C | O | 117.3° | 120.0° |
CA | C | N | 119.5° | 120.0° |
C | CA | C1 | 113.6° | 109.4° |
C | CA | N' | 110.1° | 109.5° |
C | CA | HA | 107.5° | 109.4° |
O | C | N | 123.1° | 120.0° |
C | N | HN1 | 123.1° | 120.0° |
C | N | HN2 | 119.5° | 120.0° |
C1 | CA | N' | 113.0° | 109.5° |
C1 | CA | HA | 104.1° | 109.5° |
CA | C1 | C2 | 120.7° | 120.1° |
CA | C1 | C6 | 119.9° | 120.0° |
N' | CA | HA | 108.2° | 109.5° |
CA | N' | C1' | 127.2° | 120.0° |
CA | N' | HN' | 106.0° | 120.0° |
HN1 | N | HN2 | 117.4° | 120.0° |
C2 | C1 | C6 | 119.3° | 119.9° |
C1 | C2 | C3 | 119.2° | 120.1° |
C1 | C2 | CL2 | 122.9° | 120.0° |
C1 | C6 | C5 | 121.3° | 120.0° |
C1 | C6 | CL6 | 121.7° | 120.0° |
C3 | C2 | CL2 | 117.7° | 120.0° |
C2 | C3 | C4 | 120.6° | 120.0° |
C2 | C3 | H3 | 119.2° | 120.0° |
C4 | C3 | H3 | 120.2° | 120.0° |
C3 | C4 | C5 | 119.8° | 120.0° |
C3 | C4 | H4 | 121.4° | 119.9° |
C5 | C4 | H4 | 118.8° | 120.0° |
C4 | C5 | C6 | 119.8° | 120.0° |
C4 | C5 | H5 | 119.9° | 120.0° |
C6 | C5 | H5 | 120.3° | 120.0° |
C5 | C6 | CL6 | 117.0° | 120.0° |
C1' | N' | HN' | 106.0° | 120.0° |
N' | C1' | C2' | 121.0° | 120.3° |
N' | C1' | C6' | 118.9° | 120.2° |
C2' | C1' | C6' | 120.1° | 119.6° |
C1' | C2' | C3' | 118.3° | 119.6° |
C1' | C2' | C' | 123.2° | 120.2° |
C1' | C6' | C5' | 120.4° | 120.1° |
C1' | C6' | H6' | 120.2° | 120.0° |
C3' | C2' | C' | 118.5° | 120.2° |
C2' | C3' | C4' | 121.1° | 119.9° |
C2' | C3' | H3' | 119.1° | 120.1° |
C2' | C' | O' | 121.2° | 120.0° |
C2' | C' | CM' | 121.1° | 120.0° |
C4' | C3' | H3' | 119.8° | 120.0° |
C3' | C4' | C5' | 120.8° | 120.4° |
C3' | C4' | H4' | 119.9° | 119.8° |
C5' | C4' | H4' | 119.3° | 119.8° |
C4' | C5' | C6' | 119.3° | 120.5° |
C4' | C5' | CM5 | 119.7° | 119.7° |
C6' | C5' | CM5 | 121.0° | 119.8° |
C5' | C6' | H6' | 119.4° | 120.0° |
C5' | CM5 | HM51 | 119.6° | 109.5° |
C5' | CM5 | HM52 | 108.5° | 109.4° |
C5' | CM5 | HM53 | 108.6° | 109.4° |
O' | C' | CM' | 117.7° | 120.0° |
C' | CM' | HM'1 | 121.1° | 109.5° |
C' | CM' | HM'2 | 108.0° | 109.5° |
C' | CM' | HM'3 | 108.0° | 109.5° |
HM'1 | CM' | HM'2 | 108.0° | 109.5° |
HM'1 | CM' | HM'3 | 108.1° | 109.5° |
HM'2 | CM' | HM'3 | 101.9° | 109.4° |
HM51 | CM5 | HM52 | 108.6° | 109.5° |
HM51 | CM5 | HM53 | 108.5° | 109.5° |
HM52 | CM5 | HM53 | 101.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | C | O | N | 179.5° | 180.0° |
C | CA | C1 | N' | 126.3° | 120.0° |
C | CA | C1 | HA | 116.6° | 120.0° |
C | CA | N' | HA | 117.2° | 120.0° |
CA | C | N | HN1 | 0.5° | 168.1° |
CA | C | N | HN2 | 180.0° | 12.1° |
C | CA | C1 | C2 | 61.3° | 71.6° |
C | CA | C1 | C6 | 121.2° | 108.2° |
C | CA | N' | C1' | 145.7° | 84.4° |
C | CA | N' | HN' | 89.1° | 95.5° |
O | C | CA | C1 | 23.8° | 73.5° |
O | C | CA | N' | 151.6° | 166.6° |
O | C | CA | HA | 90.8° | 46.5° |
O | C | N | HN1 | 180.0° | 11.9° |
O | C | N | HN2 | 0.5° | 168.0° |
N | C | CA | C1 | 156.6° | 106.5° |
N | C | CA | N' | 28.8° | 13.5° |
N | C | CA | HA | 88.8° | 133.5° |
C | N | HN1 | HN2 | 179.5° | 179.9° |
C1 | CA | N' | HA | 114.7° | 120.1° |
CA | C1 | C2 | C6 | 177.6° | 179.8° |
CA | C1 | C2 | C3 | 179.2° | 180.0° |
CA | C1 | C2 | CL2 | 4.0° | 0.1° |
CA | C1 | C6 | C5 | 179.3° | 179.7° |
CA | C1 | C6 | CL6 | 0.3° | 0.2° |
C1 | CA | N' | C1' | 86.2° | 155.7° |
C1 | CA | N' | HN' | 39.0° | 24.4° |
N' | CA | C1 | C2 | 65.0° | 48.4° |
N' | CA | C1 | C6 | 112.6° | 131.8° |
CA | N' | C1' | HN' | 125.2° | 179.9° |
CA | N' | C1' | C2' | 170.6° | 174.7° |
CA | N' | C1' | C6' | 10.4° | 5.6° |
HA | CA | C1 | C2 | 177.9° | 168.5° |
HA | CA | C1 | C6 | 4.6° | 11.7° |
HA | CA | N' | C1' | 28.5° | 35.6° |
HA | CA | N' | HN' | 153.7° | 144.5° |
C1 | C2 | C3 | CL2 | 175.4° | 179.8° |
C1 | C2 | C3 | C4 | 1.2° | 0.1° |
C1 | C2 | C3 | H3 | 178.8° | 179.9° |
C2 | C1 | C6 | C5 | 1.6° | 0.5° |
C2 | C1 | C6 | CL6 | 177.3° | 180.0° |
C6 | C1 | C2 | C3 | 1.6° | 0.1° |
C6 | C1 | C2 | CL2 | 173.6° | 179.7° |
C1 | C6 | C5 | C4 | 1.3° | 0.6° |
C1 | C6 | C5 | CL6 | 179.0° | 179.5° |
C1 | C6 | C5 | H5 | 178.7° | 179.7° |
C2 | C3 | C4 | H3 | 180.0° | 179.8° |
C2 | C3 | C4 | C5 | 0.8° | 0.1° |
C2 | C3 | C4 | H4 | 179.1° | 179.9° |
CL2 | C2 | C3 | C4 | 174.2° | 180.0° |
CL2 | C2 | C3 | H3 | 5.8° | 0.2° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 0.9° | 0.3° |
C3 | C4 | C5 | H5 | 179.1° | 180.0° |
H3 | C3 | C4 | C5 | 179.2° | 179.9° |
H3 | C3 | C4 | H4 | 0.9° | 0.1° |
C4 | C5 | C6 | H5 | 180.0° | 179.7° |
C4 | C5 | C6 | CL6 | 177.7° | 180.0° |
H4 | C4 | C5 | C6 | 179.1° | 179.7° |
H4 | C4 | C5 | H5 | 0.9° | 0.0° |
H5 | C5 | C6 | CL6 | 2.3° | 0.3° |
N' | C1' | C2' | C6' | 178.9° | 179.6° |
N' | C1' | C2' | C3' | 177.8° | 179.9° |
N' | C1' | C2' | C' | 4.3° | 0.2° |
N' | C1' | C6' | C5' | 178.1° | 180.0° |
N' | C1' | C6' | H6' | 2.0° | 0.1° |
HN' | N' | C1' | C2' | 45.4° | 5.4° |
HN' | N' | C1' | C6' | 135.7° | 174.3° |
C1' | C2' | C3' | C' | 178.0° | 179.7° |
C1' | C2' | C3' | C4' | 0.8° | 0.2° |
C1' | C2' | C3' | H3' | 179.2° | 179.8° |
C2' | C1' | C6' | C5' | 0.9° | 0.4° |
C2' | C1' | C6' | H6' | 179.1° | 179.7° |
C1' | C2' | C' | O' | 3.3° | 6.0° |
C1' | C2' | C' | CM' | 174.3° | 174.0° |
C6' | C1' | C2' | C3' | 1.1° | 0.4° |
C6' | C1' | C2' | C' | 176.8° | 179.8° |
C1' | C6' | C5' | C4' | 0.4° | 0.1° |
C1' | C6' | C5' | H6' | 179.9° | 179.9° |
C1' | C6' | C5' | CM5 | 178.9° | 179.8° |
C2' | C3' | C4' | H3' | 180.0° | 179.9° |
C2' | C3' | C4' | C5' | 0.3° | 0.0° |
C2' | C3' | C4' | H4' | 179.7° | 180.0° |
C3' | C2' | C' | O' | 178.8° | 174.3° |
C3' | C2' | C' | CM' | 3.6° | 5.7° |
C' | C2' | C3' | C4' | 177.2° | 180.0° |
C' | C2' | C3' | H3' | 2.8° | 0.1° |
C2' | C' | O' | CM' | 177.7° | 180.0° |
C2' | C' | CM' | HM'1 | 180.0° | 180.0° |
C2' | C' | CM' | HM'2 | 54.8° | 60.0° |
C2' | C' | CM' | HM'3 | 54.7° | 60.0° |
C3' | C4' | C5' | H4' | 180.0° | 180.0° |
C3' | C4' | C5' | C6' | 0.1° | 0.1° |
C3' | C4' | C5' | CM5 | 178.7° | 179.9° |
H3' | C3' | C4' | C5' | 179.7° | 179.9° |
H3' | C3' | C4' | H4' | 0.3° | 0.1° |
C4' | C5' | C6' | CM5 | 178.6° | 179.9° |
C4' | C5' | C6' | H6' | 179.6° | 180.0° |
C4' | C5' | CM5 | HM51 | 180.0° | 90.0° |
C4' | C5' | CM5 | HM52 | 54.7° | 150.0° |
C4' | C5' | CM5 | HM53 | 54.8° | 30.1° |
H4' | C4' | C5' | C6' | 179.9° | 180.0° |
H4' | C4' | C5' | CM5 | 1.3° | 0.1° |
C6' | C5' | CM5 | HM51 | 1.4° | 89.9° |
C6' | C5' | CM5 | HM52 | 126.7° | 30.1° |
C6' | C5' | CM5 | HM53 | 123.8° | 150.0° |
CM5 | C5' | C6' | H6' | 1.0° | 0.1° |
C5' | CM5 | HM51 | HM52 | 125.3° | 119.9° |
C5' | CM5 | HM51 | HM53 | 125.2° | 120.0° |
C5' | CM5 | HM52 | HM53 | 114.2° | 119.9° |
O' | C' | CM' | HM'1 | 2.3° | 0.1° |
O' | C' | CM' | HM'2 | 122.9° | 120.1° |
O' | C' | CM' | HM'3 | 127.6° | 120.0° |
C' | CM' | HM'1 | HM'2 | 125.2° | 120.0° |
C' | CM' | HM'1 | HM'3 | 125.3° | 120.0° |
C' | CM' | HM'2 | HM'3 | 113.6° | 120.0° |
HM'1 | CM' | HM'2 | HM'3 | 113.7° | 120.0° |
HM51 | CM5 | HM52 | HM53 | 114.2° | 120.1° |