2L5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
C16 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
N | CA | sing | 1.47Å | 1.49Å | |
C19 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
C14 | C13 | sing | 1.51Å | 1.52Å | |
C15 | CL | sing | 1.74Å | 1.72Å | |
CA | C13 | sing | 1.53Å | 1.55Å | |
CA | C | sing | 1.51Å | 1.48Å | |
O | C | doub | 1.21Å | 1.21Å | |
C19 | H1 | sing | 1.08Å | 1.08Å | |
C18 | H20 | sing | 1.08Å | 1.08Å | |
C17 | H3 | sing | 1.08Å | 1.08Å | |
C16 | H4 | sing | 1.08Å | 1.08Å | |
C13 | H5 | sing | 1.09Å | 1.10Å | |
C13 | H6 | sing | 1.09Å | 1.10Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
C | OXT | sing | 1.34Å | 26.09Å | |
OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C18 | C17 | C16 | 119.8° | 120.0° |
C17 | C18 | C19 | 122.6° | 120.0° |
C17 | C18 | H20 | 118.7° | 120.0° |
C18 | C17 | H3 | 120.1° | 120.0° |
C17 | C16 | C14 | 119.4° | 120.0° |
C16 | C17 | H3 | 120.1° | 120.0° |
C17 | C16 | H4 | 120.3° | 120.0° |
C18 | C19 | C15 | 117.3° | 120.0° |
C18 | C19 | H1 | 121.4° | 120.0° |
C19 | C18 | H20 | 118.7° | 120.0° |
C16 | C14 | C15 | 119.0° | 120.0° |
C16 | C14 | C13 | 120.2° | 120.0° |
C14 | C16 | H4 | 120.3° | 120.0° |
N | CA | C13 | 111.6° | 109.5° |
N | CA | C | 107.3° | 109.5° |
N | CA | HA | 110.0° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
C19 | C15 | C14 | 121.8° | 120.0° |
C19 | C15 | CL | 117.9° | 120.0° |
C15 | C19 | H1 | 121.4° | 120.1° |
C15 | C14 | C13 | 120.6° | 120.0° |
C14 | C15 | CL | 120.1° | 120.0° |
C14 | C13 | CA | 113.1° | 109.4° |
C14 | C13 | H5 | 108.5° | 109.5° |
C14 | C13 | H6 | 108.5° | 109.5° |
C13 | CA | C | 108.4° | 109.4° |
CA | C13 | H5 | 108.6° | 109.5° |
CA | C13 | H6 | 108.6° | 109.5° |
C13 | CA | HA | 109.3° | 109.5° |
CA | C | O | 120.8° | 120.0° |
C | CA | HA | 110.2° | 109.5° |
CA | C | OXT | 154.8° | 120.0° |
O | C | OXT | 77.8° | 120.0° |
H5 | C13 | H6 | 109.5° | 109.5° |
H | N | H2 | 109.5° | 111.0° |
C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C18 | C17 | C16 | H3 | 180.0° | 179.9° |
C17 | C18 | C19 | H20 | 180.0° | 179.9° |
C18 | C17 | C16 | C14 | 1.3° | 0.4° |
C17 | C18 | C19 | C15 | 0.6° | 0.0° |
C17 | C18 | C19 | H1 | 179.4° | 180.0° |
C18 | C17 | C16 | H4 | 178.7° | 179.9° |
C16 | C17 | C18 | C19 | 0.1° | 0.1° |
C17 | C16 | C14 | H4 | 180.0° | 179.7° |
C17 | C16 | C14 | C15 | 3.3° | 0.7° |
C17 | C16 | C14 | C13 | 178.8° | 180.0° |
C16 | C17 | C18 | H20 | 179.9° | 180.0° |
C18 | C19 | C15 | H1 | 180.0° | 180.0° |
C18 | C19 | C15 | C14 | 2.7° | 0.3° |
C18 | C19 | C15 | CL | 179.3° | 180.0° |
C19 | C18 | C17 | H3 | 179.9° | 180.0° |
C16 | C14 | C15 | C19 | 4.1° | 0.6° |
C16 | C14 | C15 | C13 | 175.5° | 179.3° |
C16 | C14 | C15 | CL | 179.4° | 179.7° |
C16 | C14 | C13 | CA | 93.7° | 100.0° |
C14 | C16 | C17 | H3 | 178.7° | 179.7° |
C16 | C14 | C13 | H5 | 145.8° | 140.0° |
C16 | C14 | C13 | H6 | 26.9° | 19.9° |
N | CA | C13 | C14 | 55.7° | 65.0° |
N | CA | C13 | C | 117.9° | 119.9° |
N | CA | C13 | HA | 122.0° | 120.0° |
N | CA | C | HA | 119.8° | 120.0° |
N | CA | C | O | 40.0° | 19.9° |
N | CA | C13 | H5 | 176.3° | 175.0° |
N | CA | C13 | H6 | 64.8° | 55.0° |
CA | N | H | H2 | 120.0° | 123.9° |
N | CA | C | OXT | 93.6° | 160.0° |
C19 | C15 | C14 | CL | 176.5° | 179.7° |
C19 | C15 | C14 | C13 | 179.6° | 180.0° |
C15 | C19 | C18 | H20 | 179.4° | 180.0° |
C15 | C14 | C13 | CA | 81.7° | 80.6° |
C14 | C15 | C19 | H1 | 177.3° | 179.7° |
C15 | C14 | C16 | H4 | 176.6° | 179.6° |
C15 | C14 | C13 | H5 | 38.8° | 39.3° |
C15 | C14 | C13 | H6 | 157.7° | 159.4° |
C13 | C14 | C15 | CL | 3.9° | 0.4° |
C14 | C13 | CA | H5 | 120.5° | 120.0° |
C14 | C13 | CA | H6 | 120.6° | 120.0° |
C14 | C13 | CA | C | 173.6° | 175.0° |
C13 | C14 | C16 | H4 | 1.2° | 0.3° |
C14 | C13 | H5 | H6 | 118.3° | 120.0° |
C14 | C13 | CA | HA | 66.2° | 55.0° |
CL | C15 | C19 | H1 | 0.8° | 0.0° |
C13 | CA | C | HA | 119.6° | 120.0° |
C13 | CA | C | O | 80.6° | 100.0° |
CA | C13 | H5 | H6 | 118.4° | 120.0° |
C13 | CA | N | H | 180.0° | 59.9° |
C13 | CA | N | H2 | 60.0° | 64.0° |
C13 | CA | C | OXT | 145.8° | 80.0° |
CA | C | O | OXT | 161.6° | 179.9° |
C | CA | C13 | H5 | 65.9° | 55.0° |
C | CA | C13 | H6 | 53.1° | 65.0° |
C | CA | N | H | 61.5° | 60.0° |
C | CA | N | H2 | 58.5° | 176.1° |
CA | C | OXT | HXT | 90.0° | 179.9° |
O | C | CA | HA | 159.8° | 140.0° |
O | C | OXT | HXT | 90.0° | 0.0° |
H1 | C19 | C18 | H20 | 0.5° | 0.0° |
H20 | C18 | C17 | H3 | 0.1° | 0.1° |
H3 | C17 | C16 | H4 | 1.3° | 0.0° |
H5 | C13 | CA | HA | 54.3° | 65.0° |
H6 | C13 | CA | HA | 173.2° | 175.0° |
HA | CA | N | H | 58.4° | 180.0° |
HA | CA | N | H2 | 178.4° | 56.1° |
HA | CA | C | OXT | 26.2° | 40.0° |