L34
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N2A | C2 | sing | 1.39Å | 1.34Å | |
N2A | HN21 | sing | 0.97Å | 1.02Å | |
N2A | HN22 | sing | 0.97Å | 1.02Å | |
N1 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
N1 | C8A | sing | 1.33Å | 1.40Å | Aromatic |
C2 | N3 | sing | 1.33Å | 1.41Å | Aromatic |
N3 | C4 | doub | 1.33Å | 1.37Å | Aromatic |
C4 | O4A | sing | 1.36Å | 1.39Å | |
C4 | C4A | sing | 1.38Å | 1.38Å | Aromatic |
O4A | HO4 | sing | 0.97Å | 0.95Å | |
C4A | N5 | sing | 1.40Å | 1.47Å | |
C4A | C8A | doub | 1.40Å | 1.32Å | Aromatic |
N5 | C6 | sing | 1.48Å | 1.50Å | |
N5 | CX | sing | 1.33Å | 1.33Å | |
C6 | C7 | sing | 1.53Å | 1.54Å | |
C6 | C9 | sing | 1.54Å | 1.56Å | |
C6 | H6 | sing | 1.09Å | 1.11Å | |
C7 | N8 | sing | 1.47Å | 1.36Å | |
C7 | H71 | sing | 1.09Å | 1.11Å | |
C7 | H72 | sing | 1.09Å | 1.11Å | |
N8 | C8A | sing | 1.38Å | 1.36Å | |
N8 | HN8 | sing | 0.97Å | 1.02Å | |
CX | OX | doub | 1.22Å | 1.21Å | |
CX | N10 | sing | 1.34Å | 1.34Å | |
C9 | N10 | sing | 1.47Å | 1.46Å | |
C9 | H91 | sing | 1.09Å | 1.12Å | |
C9 | H92 | sing | 1.09Å | 1.11Å | |
N10 | C1B | sing | 1.39Å | 1.47Å | |
C1B | C2B | doub | 1.39Å | 1.42Å | Aromatic |
C1B | C6B | sing | 1.39Å | 1.38Å | Aromatic |
C2B | C3B | sing | 1.38Å | 1.39Å | Aromatic |
C2B | H2B | sing | 1.08Å | 1.10Å | |
C3B | C4B | doub | 1.40Å | 1.39Å | Aromatic |
C3B | H3B | sing | 1.08Å | 1.10Å | |
C4B | C5B | sing | 1.40Å | 1.39Å | Aromatic |
C4B | C7B | sing | 1.48Å | 1.52Å | |
C5B | C6B | doub | 1.38Å | 1.39Å | Aromatic |
C5B | H5B | sing | 1.08Å | 1.10Å | |
C6B | H6B | sing | 1.08Å | 1.10Å | |
C7B | O7B | doub | 1.22Å | 1.23Å | |
C7B | N | sing | 1.35Å | 1.34Å | |
N | CA | sing | 1.46Å | 1.46Å | |
N | HN | sing | 0.97Å | 1.02Å | |
CA | CB | sing | 1.53Å | 1.52Å | |
CA | C | sing | 1.51Å | 1.52Å | |
CA | HA | sing | 1.09Å | 1.11Å | |
CB | CG | sing | 1.53Å | 1.50Å | |
CB | HB1 | sing | 1.09Å | 1.12Å | |
CB | HB2 | sing | 1.09Å | 1.11Å | |
CG | CD | sing | 1.51Å | 1.51Å | |
CG | HG1 | sing | 1.09Å | 1.12Å | |
CG | HG2 | sing | 1.09Å | 1.12Å | |
CD | OE1 | doub | 1.21Å | 1.25Å | |
CD | OE2 | sing | 1.34Å | 1.25Å | |
OE2 | HE2 | sing | 0.97Å | 0.95Å | |
C | O | doub | 1.21Å | 1.25Å | |
C | OXT | sing | 1.34Å | 1.24Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N2A | HN21 | 120.8° | 120.0° |
C2 | N2A | HN22 | 108.2° | 120.0° |
N2A | C2 | N1 | 120.7° | 118.9° |
N2A | C2 | N3 | 120.6° | 118.8° |
HN21 | N2A | HN22 | 108.2° | 120.0° |
C2 | N1 | C8A | 120.5° | 120.5° |
N1 | C2 | N3 | 118.6° | 122.2° |
N1 | C8A | C4A | 122.1° | 118.6° |
N1 | C8A | N8 | 118.9° | 121.1° |
C2 | N3 | C4 | 119.4° | 120.8° |
N3 | C4 | O4A | 119.6° | 120.7° |
N3 | C4 | C4A | 120.8° | 118.5° |
O4A | C4 | C4A | 119.4° | 120.7° |
C4 | O4A | HO4 | 119.5° | 106.8° |
C4 | C4A | N5 | 119.9° | 123.0° |
C4 | C4A | C8A | 118.6° | 119.3° |
N5 | C4A | C8A | 120.1° | 117.7° |
C4A | N5 | C6 | 119.3° | 121.0° |
C4A | N5 | CX | 129.5° | 130.3° |
C4A | C8A | N8 | 118.9° | 120.2° |
C6 | N5 | CX | 107.7° | 108.6° |
N5 | C6 | C7 | 106.6° | 106.6° |
N5 | C6 | C9 | 101.7° | 103.1° |
N5 | C6 | H6 | 116.4° | 111.7° |
N5 | CX | OX | 123.6° | 123.3° |
N5 | CX | N10 | 112.6° | 113.5° |
C7 | C6 | C9 | 110.5° | 112.0° |
C7 | C6 | H6 | 108.4° | 111.5° |
C6 | C7 | N8 | 114.9° | 108.2° |
C6 | C7 | H71 | 110.2° | 109.7° |
C6 | C7 | H72 | 110.2° | 109.7° |
C9 | C6 | H6 | 112.9° | 111.6° |
C6 | C9 | N10 | 100.3° | 103.7° |
C6 | C9 | H91 | 115.7° | 110.6° |
C6 | C9 | H92 | 115.7° | 110.5° |
N8 | C7 | H71 | 110.2° | 109.7° |
N8 | C7 | H72 | 110.2° | 109.7° |
C7 | N8 | C8A | 123.6° | 120.1° |
C7 | N8 | HN8 | 107.3° | 119.7° |
H71 | C7 | H72 | 100.0° | 109.8° |
C8A | N8 | HN8 | 107.2° | 120.2° |
OX | CX | N10 | 122.9° | 123.2° |
CX | N10 | C9 | 107.5° | 109.1° |
CX | N10 | C1B | 130.5° | 125.5° |
N10 | C9 | H91 | 115.7° | 110.6° |
N10 | C9 | H92 | 115.7° | 110.6° |
C9 | N10 | C1B | 114.2° | 125.4° |
H91 | C9 | H92 | 94.8° | 110.7° |
N10 | C1B | C2B | 120.4° | 119.9° |
N10 | C1B | C6B | 120.1° | 120.0° |
C2B | C1B | C6B | 119.1° | 120.1° |
C1B | C2B | C3B | 120.1° | 120.0° |
C1B | C2B | H2B | 120.9° | 119.9° |
C1B | C6B | C5B | 120.1° | 120.1° |
C1B | C6B | H6B | 119.8° | 119.9° |
C3B | C2B | H2B | 118.9° | 120.0° |
C2B | C3B | C4B | 119.5° | 120.0° |
C2B | C3B | H3B | 120.3° | 120.0° |
C4B | C3B | H3B | 120.2° | 120.0° |
C3B | C4B | C5B | 120.0° | 119.8° |
C3B | C4B | C7B | 121.3° | 120.1° |
C5B | C4B | C7B | 118.6° | 120.1° |
C4B | C5B | C6B | 121.0° | 119.9° |
C4B | C5B | H5B | 119.6° | 120.0° |
C4B | C7B | O7B | 120.8° | 120.1° |
C4B | C7B | N | 113.9° | 120.0° |
C6B | C5B | H5B | 119.4° | 120.0° |
C5B | C6B | H6B | 120.1° | 120.0° |
O7B | C7B | N | 124.0° | 119.9° |
C7B | N | CA | 124.0° | 120.1° |
C7B | N | HN | 113.1° | 120.0° |
CA | N | HN | 122.8° | 120.0° |
N | CA | CB | 110.8° | 109.5° |
N | CA | C | 111.1° | 109.5° |
N | CA | HA | 106.5° | 109.5° |
CB | CA | C | 106.4° | 109.4° |
CB | CA | HA | 111.2° | 109.5° |
CA | CB | CG | 115.8° | 109.4° |
CA | CB | HB1 | 109.9° | 109.4° |
CA | CB | HB2 | 109.9° | 109.5° |
C | CA | HA | 110.9° | 109.4° |
CA | C | O | 118.7° | 120.0° |
CA | C | OXT | 117.2° | 120.0° |
CG | CB | HB1 | 109.9° | 109.5° |
CG | CB | HB2 | 109.9° | 109.5° |
CB | CG | CD | 111.2° | 109.4° |
CB | CG | HG1 | 111.6° | 109.4° |
CB | CG | HG2 | 111.6° | 109.5° |
HB1 | CB | HB2 | 100.3° | 109.5° |
CD | CG | HG1 | 111.6° | 109.5° |
CD | CG | HG2 | 111.6° | 109.5° |
CG | CD | OE1 | 118.7° | 120.0° |
CG | CD | OE2 | 118.3° | 120.0° |
HG1 | CG | HG2 | 98.8° | 109.5° |
OE1 | CD | OE2 | 123.0° | 120.0° |
CD | OE2 | HE2 | 118.3° | 120.1° |
O | C | OXT | 123.9° | 120.0° |
C | OXT | HXT | 117.2° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | N2A | HN21 | HN22 | 125.3° | 179.7° |
N2A | C2 | N1 | N3 | 176.8° | 179.7° |
N2A | C2 | N1 | C8A | 173.4° | 179.8° |
N2A | C2 | N3 | C4 | 173.5° | 179.8° |
HN21 | N2A | C2 | N1 | 180.0° | 0.6° |
HN21 | N2A | C2 | N3 | 3.3° | 179.7° |
HN22 | N2A | C2 | N1 | 54.7° | 179.7° |
HN22 | N2A | C2 | N3 | 122.0° | 0.0° |
N1 | C2 | N3 | C4 | 3.3° | 0.1° |
C2 | N1 | C8A | C4A | 1.2° | 0.6° |
C2 | N1 | C8A | N8 | 175.2° | 177.5° |
C8A | N1 | C2 | N3 | 3.3° | 0.5° |
N1 | C8A | C4A | C4 | 1.1° | 0.4° |
N1 | C8A | C4A | N5 | 165.3° | 179.3° |
N1 | C8A | C4A | N8 | 176.4° | 178.1° |
N1 | C8A | N8 | C7 | 153.4° | 163.4° |
N1 | C8A | N8 | HN8 | 28.1° | 14.7° |
C2 | N3 | C4 | O4A | 175.5° | 179.9° |
C2 | N3 | C4 | C4A | 1.1° | 0.1° |
N3 | C4 | O4A | C4A | 174.5° | 180.0° |
N3 | C4 | O4A | HO4 | 180.0° | 90.0° |
N3 | C4 | C4A | N5 | 165.3° | 179.7° |
N3 | C4 | C4A | C8A | 1.1° | 0.1° |
O4A | C4 | C4A | N5 | 20.2° | 0.3° |
O4A | C4 | C4A | C8A | 173.4° | 179.9° |
C4A | C4 | O4A | HO4 | 5.5° | 90.0° |
C4 | C4A | N5 | C8A | 166.2° | 179.7° |
C4 | C4A | N5 | C6 | 173.8° | 161.5° |
C4 | C4A | N5 | CX | 30.0° | 21.3° |
C4 | C4A | C8A | N8 | 177.5° | 177.7° |
C4A | N5 | C6 | CX | 160.9° | 177.8° |
C4A | N5 | C6 | C7 | 33.6° | 45.5° |
C4A | N5 | C6 | C9 | 149.4° | 163.6° |
C4A | N5 | C6 | H6 | 87.5° | 76.5° |
N5 | C4A | C8A | N8 | 11.1° | 2.6° |
C4A | N5 | CX | OX | 2.3° | 16.2° |
C4A | N5 | CX | N10 | 167.3° | 163.9° |
C8A | C4A | N5 | C6 | 20.0° | 18.8° |
C8A | C4A | N5 | CX | 136.2° | 158.5° |
C4A | C8A | N8 | C7 | 23.1° | 18.5° |
C4A | C8A | N8 | HN8 | 148.4° | 163.4° |
N5 | C6 | C7 | C9 | 109.8° | 112.0° |
N5 | C6 | C7 | H6 | 126.0° | 122.2° |
N5 | C6 | C9 | H6 | 125.5° | 120.0° |
N5 | C6 | C7 | N8 | 42.6° | 55.1° |
N5 | C6 | C7 | H71 | 167.9° | 174.8° |
N5 | C6 | C7 | H72 | 82.6° | 64.5° |
C6 | N5 | CX | OX | 160.6° | 166.3° |
C6 | N5 | CX | N10 | 9.0° | 13.6° |
N5 | C6 | C9 | N10 | 25.2° | 10.0° |
N5 | C6 | C9 | H91 | 100.0° | 108.6° |
N5 | C6 | C9 | H92 | 150.4° | 128.5° |
CX | N5 | C6 | C7 | 127.3° | 132.2° |
CX | N5 | C6 | C9 | 11.5° | 14.2° |
CX | N5 | C6 | H6 | 111.6° | 105.7° |
N5 | CX | OX | N10 | 168.6° | 179.8° |
N5 | CX | N10 | C9 | 27.4° | 6.5° |
N5 | CX | N10 | C1B | 174.1° | 173.4° |
C7 | C6 | C9 | H6 | 121.7° | 125.8° |
C6 | C7 | N8 | H71 | 125.3° | 119.7° |
C6 | C7 | N8 | H72 | 125.3° | 119.7° |
C6 | C7 | H71 | H72 | 116.1° | 120.6° |
C6 | C7 | N8 | C8A | 40.8° | 46.0° |
C6 | C7 | N8 | HN8 | 166.1° | 135.9° |
C7 | C6 | C9 | N10 | 138.1° | 124.1° |
C7 | C6 | C9 | H91 | 12.8° | 5.6° |
C7 | C6 | C9 | H92 | 96.7° | 117.3° |
C9 | C6 | C7 | N8 | 152.4° | 167.2° |
C9 | C6 | C7 | H71 | 82.4° | 73.2° |
C9 | C6 | C7 | H72 | 27.1° | 47.5° |
C6 | C9 | N10 | CX | 31.9° | 2.9° |
C6 | C9 | N10 | H91 | 125.2° | 118.5° |
C6 | C9 | N10 | H92 | 125.3° | 118.5° |
C6 | C9 | H91 | H92 | 121.6° | 122.8° |
C6 | C9 | N10 | C1B | 175.4° | 177.1° |
H6 | C6 | C7 | N8 | 83.4° | 67.0° |
H6 | C6 | C7 | H71 | 41.9° | 52.7° |
H6 | C6 | C7 | H72 | 151.4° | 173.3° |
H6 | C6 | C9 | N10 | 100.3° | 110.1° |
H6 | C6 | C9 | H91 | 134.5° | 131.4° |
H6 | C6 | C9 | H92 | 25.0° | 8.4° |
N8 | C7 | H71 | H72 | 116.0° | 120.6° |
C7 | N8 | C8A | HN8 | 125.3° | 178.1° |
H71 | C7 | N8 | C8A | 166.1° | 165.6° |
H71 | C7 | N8 | HN8 | 68.7° | 16.2° |
H72 | C7 | N8 | C8A | 84.5° | 73.7° |
H72 | C7 | N8 | HN8 | 40.8° | 104.4° |
OX | CX | N10 | C9 | 142.3° | 173.3° |
OX | CX | N10 | C1B | 4.4° | 6.8° |
CX | N10 | C9 | C1B | 152.7° | 179.9° |
CX | N10 | C9 | H91 | 93.3° | 115.6° |
CX | N10 | C9 | H92 | 157.2° | 121.4° |
CX | N10 | C1B | C2B | 8.3° | 0.1° |
CX | N10 | C1B | C6B | 164.9° | 179.7° |
N10 | C9 | H91 | H92 | 121.6° | 122.9° |
C9 | N10 | C1B | C2B | 136.6° | 180.0° |
C9 | N10 | C1B | C6B | 50.1° | 0.2° |
H91 | C9 | N10 | C1B | 59.4° | 64.3° |
H92 | C9 | N10 | C1B | 50.1° | 58.6° |
N10 | C1B | C2B | C6B | 173.3° | 179.8° |
N10 | C1B | C2B | C3B | 170.3° | 180.0° |
N10 | C1B | C2B | H2B | 9.7° | 0.0° |
N10 | C1B | C6B | C5B | 170.2° | 179.8° |
N10 | C1B | C6B | H6B | 9.9° | 0.2° |
C1B | C2B | C3B | H2B | 180.0° | 179.9° |
C1B | C2B | C3B | C4B | 2.2° | 0.0° |
C1B | C2B | C3B | H3B | 177.8° | 180.0° |
C2B | C1B | C6B | C5B | 3.1° | 0.5° |
C2B | C1B | C6B | H6B | 176.8° | 180.0° |
C6B | C1B | C2B | C3B | 3.0° | 0.3° |
C6B | C1B | C2B | H2B | 177.0° | 179.8° |
C1B | C6B | C5B | C4B | 2.6° | 0.4° |
C1B | C6B | C5B | H6B | 179.9° | 179.5° |
C1B | C6B | C5B | H5B | 177.5° | 179.7° |
C2B | C3B | C4B | H3B | 180.0° | 180.0° |
C2B | C3B | C4B | C5B | 1.6° | 0.0° |
C2B | C3B | C4B | C7B | 178.6° | 180.0° |
H2B | C2B | C3B | C4B | 177.7° | 180.0° |
H2B | C2B | C3B | H3B | 2.2° | 0.0° |
C3B | C4B | C5B | C7B | 177.1° | 180.0° |
C3B | C4B | C5B | C6B | 1.8° | 0.2° |
C3B | C4B | C5B | H5B | 178.3° | 180.0° |
C3B | C4B | C7B | O7B | 1.4° | 0.0° |
C3B | C4B | C7B | N | 168.9° | 180.0° |
H3B | C3B | C4B | C5B | 178.4° | 180.0° |
H3B | C3B | C4B | C7B | 1.4° | 0.0° |
C4B | C5B | C6B | H5B | 180.0° | 179.9° |
C4B | C5B | C6B | H6B | 177.4° | 180.0° |
C5B | C4B | C7B | O7B | 175.7° | 180.0° |
C5B | C4B | C7B | N | 8.1° | 0.0° |
C7B | C4B | C5B | C6B | 178.8° | 179.8° |
C7B | C4B | C5B | H5B | 1.2° | 0.1° |
C4B | C7B | O7B | N | 166.3° | 180.0° |
C4B | C7B | N | CA | 174.0° | 180.0° |
C4B | C7B | N | HN | 6.0° | 0.0° |
H5B | C5B | C6B | H6B | 2.6° | 0.2° |
O7B | C7B | N | CA | 6.9° | 0.1° |
O7B | C7B | N | HN | 173.1° | 180.0° |
C7B | N | CA | HN | 180.0° | 179.9° |
C7B | N | CA | CB | 116.5° | 150.0° |
C7B | N | CA | C | 125.4° | 89.9° |
C7B | N | CA | HA | 4.6° | 30.0° |
N | CA | CB | C | 120.8° | 120.1° |
N | CA | CB | HA | 118.3° | 120.0° |
N | CA | C | HA | 118.3° | 120.0° |
N | CA | CB | CG | 55.3° | 60.0° |
N | CA | CB | HB1 | 70.0° | 60.0° |
N | CA | CB | HB2 | 179.5° | 180.0° |
N | CA | C | O | 28.3° | 150.0° |
N | CA | C | OXT | 157.0° | 30.0° |
HN | N | CA | CB | 63.5° | 30.0° |
HN | N | CA | C | 54.6° | 90.0° |
HN | N | CA | HA | 175.5° | 150.0° |
CB | CA | C | HA | 121.1° | 120.0° |
CA | CB | CG | HB1 | 125.2° | 120.0° |
CA | CB | CG | HB2 | 125.3° | 120.0° |
CA | CB | HB1 | HB2 | 115.7° | 120.0° |
CA | CB | CG | CD | 176.0° | 180.0° |
CA | CB | CG | HG1 | 50.7° | 60.0° |
CA | CB | CG | HG2 | 58.7° | 60.0° |
CB | CA | C | O | 92.3° | 90.0° |
CB | CA | C | OXT | 82.3° | 90.0° |
C | CA | CB | CG | 176.1° | 180.0° |
C | CA | CB | HB1 | 50.9° | 60.1° |
C | CA | CB | HB2 | 58.6° | 59.9° |
CA | C | O | OXT | 174.3° | 180.0° |
CA | C | OXT | HXT | 180.0° | 180.0° |
HA | CA | CB | CG | 63.0° | 60.1° |
HA | CA | CB | HB1 | 171.8° | 180.0° |
HA | CA | CB | HB2 | 62.3° | 60.0° |
HA | CA | C | O | 146.6° | 30.0° |
HA | CA | C | OXT | 38.8° | 150.0° |
CG | CB | HB1 | HB2 | 115.7° | 120.1° |
CB | CG | CD | HG1 | 125.3° | 120.0° |
CB | CG | CD | HG2 | 125.3° | 120.0° |
CB | CG | HG1 | HG2 | 117.5° | 120.0° |
CB | CG | CD | OE1 | 89.8° | 0.0° |
CB | CG | CD | OE2 | 89.5° | 180.0° |
HB1 | CB | CG | CD | 58.7° | 60.0° |
HB1 | CB | CG | HG1 | 176.0° | 180.0° |
HB1 | CB | CG | HG2 | 66.5° | 60.0° |
HB2 | CB | CG | CD | 50.7° | 60.0° |
HB2 | CB | CG | HG1 | 74.5° | 60.0° |
HB2 | CB | CG | HG2 | 176.0° | 180.0° |
CD | CG | HG1 | HG2 | 117.4° | 120.0° |
CG | CD | OE1 | OE2 | 179.2° | 180.0° |
CG | CD | OE2 | HE2 | 180.0° | 180.0° |
HG1 | CG | CD | OE1 | 144.9° | 120.0° |
HG1 | CG | CD | OE2 | 35.9° | 60.1° |
HG2 | CG | CD | OE1 | 35.5° | 120.0° |
HG2 | CG | CD | OE2 | 145.3° | 60.0° |
OE1 | CD | OE2 | HE2 | 0.8° | 0.0° |
O | C | OXT | HXT | 5.7° | 0.0° |