LBZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C11 | C10 | sing | 1.53Å | 1.55Å | |
C11 | CA | sing | 1.53Å | 1.52Å | |
C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
C6 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
C10 | C9 | sing | 1.53Å | 1.50Å | |
C1 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
N1 | C8 | sing | 1.47Å | 1.45Å | |
N1 | C7 | sing | 1.35Å | 1.45Å | |
C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
C2 | C7 | sing | 1.48Å | 1.54Å | |
C8 | C9 | sing | 1.53Å | 1.54Å | |
C | CA | sing | 1.51Å | 1.52Å | |
C | O | doub | 1.21Å | 1.21Å | |
C7 | O1 | doub | 1.22Å | 1.20Å | |
CA | N | sing | 1.47Å | 1.45Å | |
C | OXT | sing | 1.34Å | 1.33Å | |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C5 | H20 | sing | 1.08Å | 1.08Å | |
C6 | H3 | sing | 1.08Å | 1.08Å | |
C11 | H4 | sing | 1.09Å | 1.10Å | |
C11 | H5 | sing | 1.09Å | 1.10Å | |
C8 | H6 | sing | 1.09Å | 1.10Å | |
C8 | H7 | sing | 1.09Å | 1.10Å | |
C9 | H8 | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H11 | sing | 1.09Å | 1.10Å | |
N1 | H12 | sing | 0.97Å | 1.00Å | |
C3 | H13 | sing | 1.08Å | 1.08Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
C1 | H18 | sing | 1.08Å | 1.08Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C10 | C11 | CA | 111.7° | 109.5° |
C11 | C10 | C9 | 112.4° | 109.5° |
C10 | C11 | H4 | 108.9° | 109.5° |
C10 | C11 | H5 | 108.9° | 109.5° |
C11 | C10 | H10 | 108.7° | 109.5° |
C11 | C10 | H11 | 108.7° | 109.5° |
C11 | CA | C | 110.5° | 109.5° |
C11 | CA | N | 107.0° | 109.5° |
CA | C11 | H4 | 108.9° | 109.5° |
CA | C11 | H5 | 108.9° | 109.4° |
C11 | CA | HA | 108.8° | 109.4° |
C5 | C6 | C1 | 119.6° | 120.1° |
C6 | C5 | C4 | 119.9° | 120.3° |
C6 | C5 | H20 | 120.1° | 119.8° |
C5 | C6 | H3 | 120.2° | 119.9° |
C6 | C1 | C2 | 120.7° | 119.9° |
C1 | C6 | H3 | 120.2° | 119.9° |
C6 | C1 | H18 | 119.6° | 120.0° |
C5 | C4 | C3 | 120.3° | 120.1° |
C5 | C4 | H1 | 119.8° | 120.0° |
C4 | C5 | H20 | 120.0° | 119.9° |
C10 | C9 | C8 | 111.2° | 109.5° |
C10 | C9 | H8 | 109.0° | 109.4° |
C10 | C9 | H9 | 109.0° | 109.5° |
C9 | C10 | H10 | 108.7° | 109.5° |
C9 | C10 | H11 | 108.7° | 109.5° |
C1 | C2 | C3 | 119.5° | 119.7° |
C1 | C2 | C7 | 119.3° | 120.2° |
C2 | C1 | H18 | 119.6° | 120.1° |
C4 | C3 | C2 | 119.9° | 119.9° |
C3 | C4 | H1 | 119.8° | 119.9° |
C4 | C3 | H13 | 120.1° | 120.1° |
C8 | N1 | C7 | 119.8° | 120.0° |
N1 | C8 | C9 | 112.1° | 109.5° |
N1 | C8 | H6 | 108.8° | 109.5° |
N1 | C8 | H7 | 108.8° | 109.4° |
C8 | N1 | H12 | 120.1° | 120.0° |
N1 | C7 | C2 | 120.9° | 120.0° |
N1 | C7 | O1 | 119.8° | 120.0° |
C7 | N1 | H12 | 120.1° | 120.0° |
C3 | C2 | C7 | 121.3° | 120.2° |
C2 | C3 | H13 | 120.0° | 120.1° |
C2 | C7 | O1 | 119.3° | 120.0° |
C9 | C8 | H6 | 108.8° | 109.5° |
C9 | C8 | H7 | 108.8° | 109.4° |
C8 | C9 | H8 | 109.0° | 109.4° |
C8 | C9 | H9 | 109.0° | 109.5° |
CA | C | O | 119.8° | 120.0° |
C | CA | N | 112.2° | 109.5° |
CA | C | OXT | 117.2° | 120.0° |
C | CA | HA | 108.7° | 109.5° |
O | C | OXT | 122.9° | 120.0° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
N | CA | HA | 109.7° | 109.5° |
C | OXT | HXT | 109.5° | 117.0° |
H4 | C11 | H5 | 109.5° | 109.5° |
H6 | C8 | H7 | 109.5° | 109.5° |
H8 | C9 | H9 | 109.5° | 109.4° |
H10 | C10 | H11 | 109.5° | 109.4° |
H | N | H2 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C10 | C11 | CA | H4 | 120.3° | 120.0° |
C10 | C11 | CA | H5 | 120.3° | 120.0° |
C11 | C10 | C9 | H10 | 120.4° | 120.1° |
C11 | C10 | C9 | H11 | 120.4° | 120.0° |
C11 | C10 | C9 | C8 | 109.3° | 180.0° |
C10 | C11 | CA | C | 115.0° | 175.0° |
C10 | C11 | CA | N | 122.6° | 65.0° |
C10 | C11 | H4 | H5 | 119.0° | 120.0° |
C11 | C10 | C9 | H8 | 130.4° | 60.0° |
C11 | C10 | C9 | H9 | 11.0° | 60.0° |
C11 | C10 | H10 | H11 | 118.6° | 120.0° |
C10 | C11 | CA | HA | 4.2° | 55.0° |
CA | C11 | C10 | C9 | 65.1° | 180.0° |
C11 | CA | C | N | 119.3° | 120.0° |
C11 | CA | C | HA | 119.3° | 120.0° |
C11 | CA | C | O | 122.0° | 100.0° |
C11 | CA | N | HA | 117.8° | 120.0° |
C11 | CA | C | OXT | 57.7° | 80.0° |
CA | C11 | H4 | H5 | 119.0° | 120.0° |
CA | C11 | C10 | H10 | 174.4° | 60.0° |
CA | C11 | C10 | H11 | 55.3° | 59.9° |
C11 | CA | N | H | 180.0° | 60.0° |
C11 | CA | N | H2 | 60.0° | 64.0° |
C5 | C6 | C1 | H3 | 180.0° | 179.9° |
C6 | C5 | C4 | H20 | 180.0° | 179.9° |
C5 | C6 | C1 | C2 | 0.4° | 0.2° |
C6 | C5 | C4 | C3 | 0.1° | 0.1° |
C6 | C5 | C4 | H1 | 180.0° | 179.7° |
C5 | C6 | C1 | H18 | 179.6° | 180.0° |
C1 | C6 | C5 | C4 | 0.3° | 0.1° |
C6 | C1 | C2 | H18 | 180.0° | 179.8° |
C6 | C1 | C2 | C3 | 0.3° | 0.4° |
C6 | C1 | C2 | C7 | 179.2° | 180.0° |
C1 | C6 | C5 | H20 | 179.7° | 180.0° |
C5 | C4 | C3 | H1 | 180.0° | 179.7° |
C5 | C4 | C3 | C2 | 0.0° | 0.2° |
C4 | C5 | C6 | H3 | 179.7° | 180.0° |
C5 | C4 | C3 | H13 | 180.0° | 179.7° |
C10 | C9 | C8 | N1 | 80.4° | 180.0° |
C10 | C9 | C8 | H8 | 120.3° | 120.0° |
C10 | C9 | C8 | H9 | 120.3° | 120.1° |
C9 | C10 | C11 | H4 | 174.5° | 60.0° |
C9 | C10 | C11 | H5 | 55.2° | 60.0° |
C10 | C9 | C8 | H6 | 40.0° | 59.9° |
C10 | C9 | C8 | H7 | 159.2° | 60.1° |
C10 | C9 | H8 | H9 | 119.2° | 120.0° |
C9 | C10 | H10 | H11 | 118.7° | 120.0° |
C1 | C2 | C3 | C4 | 0.1° | 0.4° |
C1 | C2 | C7 | N1 | 150.0° | 180.0° |
C1 | C2 | C3 | C7 | 179.5° | 179.6° |
C1 | C2 | C7 | O1 | 29.1° | 0.1° |
C2 | C1 | C6 | H3 | 179.6° | 179.7° |
C1 | C2 | C3 | H13 | 179.9° | 179.5° |
C4 | C3 | C2 | H13 | 180.0° | 179.9° |
C4 | C3 | C2 | C7 | 179.4° | 180.0° |
C3 | C4 | C5 | H20 | 179.9° | 180.0° |
C8 | N1 | C7 | H12 | 180.0° | 179.9° |
C8 | N1 | C7 | C2 | 179.0° | 179.9° |
N1 | C8 | C9 | H6 | 120.4° | 120.1° |
N1 | C8 | C9 | H7 | 120.4° | 119.9° |
C8 | N1 | C7 | O1 | 0.1° | 0.0° |
N1 | C8 | H6 | H7 | 118.8° | 120.0° |
N1 | C8 | C9 | H8 | 39.9° | 60.0° |
N1 | C8 | C9 | H9 | 159.3° | 59.9° |
N1 | C7 | C2 | C3 | 29.4° | 0.4° |
N1 | C7 | C2 | O1 | 179.2° | 179.9° |
C7 | N1 | C8 | C9 | 137.3° | 180.0° |
C7 | N1 | C8 | H6 | 102.3° | 60.0° |
C7 | N1 | C8 | H7 | 17.0° | 60.1° |
C3 | C2 | C7 | O1 | 151.4° | 179.5° |
C2 | C3 | C4 | H1 | 179.9° | 179.9° |
C3 | C2 | C1 | H18 | 179.7° | 179.8° |
C2 | C7 | N1 | H12 | 0.9° | 0.0° |
C7 | C2 | C3 | H13 | 0.6° | 0.1° |
C7 | C2 | C1 | H18 | 0.8° | 0.2° |
C9 | C8 | H6 | H7 | 118.8° | 119.9° |
C8 | C9 | H8 | H9 | 119.2° | 120.0° |
C8 | C9 | C10 | H10 | 11.1° | 59.9° |
C8 | C9 | C10 | H11 | 130.3° | 60.0° |
C9 | C8 | N1 | H12 | 42.7° | 0.1° |
CA | C | O | OXT | 179.7° | 180.0° |
C | CA | N | HA | 120.9° | 120.0° |
C | CA | C11 | H4 | 5.3° | 55.0° |
C | CA | C11 | H5 | 124.6° | 65.0° |
C | CA | N | H | 58.6° | 60.0° |
C | CA | N | H2 | 61.4° | 176.0° |
CA | C | OXT | HXT | 179.7° | 180.0° |
O | C | CA | N | 118.7° | 20.0° |
O | C | CA | HA | 2.7° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
O1 | C7 | N1 | H12 | 179.9° | 179.9° |
N | CA | C | OXT | 61.6° | 160.0° |
N | CA | C11 | H4 | 117.1° | 175.0° |
N | CA | C11 | H5 | 2.3° | 55.0° |
CA | N | H | H2 | 120.0° | 124.0° |
OXT | C | CA | HA | 177.0° | 39.9° |
H1 | C4 | C5 | H20 | 0.0° | 0.3° |
H1 | C4 | C3 | H13 | 0.1° | 0.0° |
H20 | C5 | C6 | H3 | 0.3° | 0.1° |
H3 | C6 | C1 | H18 | 0.4° | 0.1° |
H4 | C11 | C10 | H10 | 54.1° | 60.0° |
H4 | C11 | C10 | H11 | 65.0° | 180.0° |
H4 | C11 | CA | HA | 124.5° | 65.0° |
H5 | C11 | C10 | H10 | 65.2° | 180.0° |
H5 | C11 | C10 | H11 | 175.6° | 60.0° |
H5 | C11 | CA | HA | 116.1° | 175.0° |
H6 | C8 | C9 | H8 | 160.2° | 60.0° |
H6 | C8 | C9 | H9 | 80.3° | 180.0° |
H6 | C8 | N1 | H12 | 77.7° | 119.9° |
H7 | C8 | C9 | H8 | 80.5° | 180.0° |
H7 | C8 | C9 | H9 | 38.9° | 60.0° |
H7 | C8 | N1 | H12 | 163.1° | 120.0° |
H8 | C9 | C10 | H10 | 109.1° | 60.0° |
H8 | C9 | C10 | H11 | 10.0° | 180.0° |
H9 | C9 | C10 | H10 | 131.4° | 180.0° |
H9 | C9 | C10 | H11 | 109.5° | 60.1° |
H | N | CA | HA | 62.2° | 180.0° |
H2 | N | CA | HA | 177.8° | 56.0° |