LLO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | O | doub | 1.21Å | 1.24Å | |
N | CA | sing | 1.47Å | 1.46Å | |
O1 | C11 | sing | 1.43Å | 1.44Å | |
CA | C | sing | 1.51Å | 1.52Å | |
CB | CA | sing | 1.53Å | 1.53Å | |
CE | CD | sing | 1.53Å | 1.53Å | |
CG | CB | sing | 1.53Å | 1.53Å | |
CG | CD | sing | 1.53Å | 1.53Å | |
NZ | CE | sing | 1.47Å | 1.46Å | |
C11 | C8 | sing | 1.53Å | 1.52Å | |
C11 | C12 | sing | 1.53Å | 1.54Å | |
C13 | NZ | sing | 1.47Å | 1.46Å | |
C13 | C12 | sing | 1.53Å | 1.54Å | |
C14 | C13 | sing | 1.53Å | 1.53Å | |
C16 | C11 | sing | 1.53Å | 1.53Å | |
C | OXT | sing | 1.34Å | 1.43Å | |
N | HN | sing | 1.01Å | 1.00Å | |
N | HNA | sing | 1.01Å | 1.00Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
C8 | H8B | sing | 1.09Å | 1.10Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB | sing | 1.09Å | 1.10Å | |
CB | HBA | sing | 1.09Å | 1.10Å | |
CD | HD | sing | 1.09Å | 1.10Å | |
CD | HDA | sing | 1.09Å | 1.10Å | |
CE | HE | sing | 1.09Å | 1.10Å | |
CE | HEA | sing | 1.09Å | 1.10Å | |
CG | HG | sing | 1.09Å | 1.10Å | |
CG | HGA | sing | 1.09Å | 1.10Å | |
NZ | HNZ | sing | 1.01Å | 1.00Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H12A | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H14A | sing | 1.09Å | 1.10Å | |
C14 | H14B | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H16A | sing | 1.09Å | 1.10Å | |
C16 | H16B | sing | 1.09Å | 1.10Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 121.0° | 120.0° |
O | C | OXT | 118.7° | 120.0° |
N | CA | C | 110.5° | 109.4° |
N | CA | CB | 109.9° | 109.4° |
CA | N | HN | 109.5° | 111.0° |
CA | N | HNA | 109.5° | 111.0° |
N | CA | HA | 109.1° | 109.5° |
O1 | C11 | C8 | 107.4° | 109.5° |
O1 | C11 | C12 | 107.5° | 109.5° |
O1 | C11 | C16 | 109.2° | 109.5° |
C11 | O1 | HO1 | 109.5° | 114.0° |
C | CA | CB | 111.4° | 109.5° |
CA | C | OXT | 112.7° | 120.0° |
C | CA | HA | 107.6° | 109.5° |
CA | CB | CG | 114.1° | 109.4° |
CB | CA | HA | 108.2° | 109.5° |
CA | CB | HB | 108.0° | 109.5° |
CA | CB | HBA | 108.0° | 109.5° |
CE | CD | CG | 114.0° | 109.5° |
CD | CE | NZ | 113.0° | 109.5° |
CE | CD | HD | 108.0° | 109.5° |
CE | CD | HDA | 108.0° | 109.4° |
CD | CE | HE | 108.3° | 109.5° |
CD | CE | HEA | 108.3° | 109.5° |
CB | CG | CD | 109.4° | 109.5° |
CG | CB | HB | 108.0° | 109.4° |
CG | CB | HBA | 107.9° | 109.5° |
CB | CG | HG | 109.5° | 109.5° |
CB | CG | HGA | 109.5° | 109.4° |
CG | CD | HD | 108.0° | 109.5° |
CG | CD | HDA | 108.0° | 109.5° |
CD | CG | HG | 109.5° | 109.5° |
CD | CG | HGA | 109.5° | 109.5° |
CE | NZ | C13 | 123.7° | 111.0° |
NZ | CE | HE | 108.3° | 109.5° |
NZ | CE | HEA | 108.3° | 109.5° |
CE | NZ | HNZ | 105.0° | 111.0° |
C8 | C11 | C12 | 114.0° | 109.4° |
C8 | C11 | C16 | 105.3° | 109.5° |
C11 | C8 | H8 | 109.5° | 109.4° |
C11 | C8 | H8A | 109.5° | 109.5° |
C11 | C8 | H8B | 109.5° | 109.5° |
C11 | C12 | C13 | 116.1° | 109.5° |
C12 | C11 | C16 | 113.3° | 109.5° |
C11 | C12 | H12 | 107.3° | 109.5° |
C11 | C12 | H12A | 107.3° | 109.5° |
NZ | C13 | C12 | 111.1° | 109.5° |
NZ | C13 | C14 | 113.1° | 109.5° |
C13 | NZ | HNZ | 105.0° | 111.0° |
NZ | C13 | H13 | 106.3° | 109.5° |
C12 | C13 | C14 | 111.2° | 109.5° |
C13 | C12 | H12 | 107.3° | 109.4° |
C13 | C12 | H12A | 107.3° | 109.5° |
C12 | C13 | H13 | 108.5° | 109.4° |
C14 | C13 | H13 | 106.2° | 109.5° |
C13 | C14 | H14 | 109.5° | 109.5° |
C13 | C14 | H14A | 109.5° | 109.5° |
C13 | C14 | H14B | 109.5° | 109.5° |
C11 | C16 | H16 | 109.5° | 109.5° |
C11 | C16 | H16A | 109.5° | 109.5° |
C11 | C16 | H16B | 109.4° | 109.5° |
C | OXT | HXT | 109.5° | 116.9° |
HN | N | HNA | 109.4° | 111.0° |
H8 | C8 | H8A | 109.5° | 109.5° |
H8 | C8 | H8B | 109.5° | 109.5° |
H8A | C8 | H8B | 109.5° | 109.5° |
HB | CB | HBA | 110.9° | 109.5° |
HD | CD | HDA | 110.9° | 109.5° |
HE | CE | HEA | 110.6° | 109.4° |
HG | CG | HGA | 109.4° | 109.4° |
H12 | C12 | H12A | 111.6° | 109.5° |
H14 | C14 | H14A | 109.4° | 109.4° |
H14 | C14 | H14B | 109.5° | 109.5° |
H14A | C14 | H14B | 109.5° | 109.4° |
H16 | C16 | H16A | 109.5° | 109.5° |
H16 | C16 | H16B | 109.5° | 109.5° |
H16A | C16 | H16B | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | N | 63.2° | 20.0° |
O | C | CA | OXT | 149.4° | 179.6° |
O | C | CA | CB | 59.3° | 99.9° |
O | C | CA | HA | 177.7° | 140.1° |
O | C | OXT | HXT | 0.0° | 0.1° |
N | CA | C | CB | 122.5° | 120.0° |
N | CA | C | HA | 119.1° | 120.0° |
N | CA | CB | HA | 119.1° | 120.0° |
N | CA | CB | CG | 98.9° | 65.0° |
N | CA | C | OXT | 147.4° | 160.3° |
CA | N | HN | HNA | 120.0° | 124.0° |
N | CA | CB | HB | 21.1° | 55.0° |
N | CA | CB | HBA | 141.1° | 175.0° |
O1 | C11 | C8 | C12 | 118.9° | 120.0° |
O1 | C11 | C8 | C16 | 116.3° | 120.0° |
O1 | C11 | C12 | C16 | 120.7° | 120.0° |
O1 | C11 | C12 | C13 | 165.0° | 59.9° |
O1 | C11 | C8 | H8 | 180.0° | 60.0° |
O1 | C11 | C8 | H8A | 60.0° | 180.0° |
O1 | C11 | C8 | H8B | 60.0° | 60.0° |
O1 | C11 | C12 | H12 | 75.0° | 60.0° |
O1 | C11 | C12 | H12A | 45.0° | 180.0° |
O1 | C11 | C16 | H16 | 180.0° | 60.0° |
O1 | C11 | C16 | H16A | 60.0° | 180.0° |
O1 | C11 | C16 | H16B | 60.0° | 60.0° |
C | CA | CB | HA | 118.1° | 120.0° |
C | CA | CB | CG | 138.3° | 175.0° |
C | CA | N | HN | 180.0° | 64.0° |
C | CA | N | HNA | 60.0° | 60.0° |
C | CA | CB | HB | 101.7° | 65.0° |
C | CA | CB | HBA | 18.3° | 55.0° |
CA | C | OXT | HXT | 150.1° | 179.7° |
CA | CB | CG | HB | 120.0° | 120.0° |
CA | CB | CG | HBA | 120.0° | 120.0° |
CA | CB | CG | CD | 134.6° | 180.0° |
CB | CA | C | OXT | 90.1° | 79.7° |
CB | CA | N | HN | 56.7° | 176.1° |
CB | CA | N | HNA | 176.7° | 60.0° |
CA | CB | HB | HBA | 118.1° | 120.0° |
CA | CB | CG | HG | 14.7° | 60.0° |
CA | CB | CG | HGA | 105.3° | 60.0° |
CE | CD | CG | CB | 155.5° | 180.0° |
CE | CD | CG | HD | 120.0° | 120.0° |
CE | CD | CG | HDA | 120.0° | 120.0° |
CD | CE | NZ | HE | 120.0° | 120.0° |
CD | CE | NZ | HEA | 120.0° | 120.0° |
CD | CE | NZ | C13 | 142.5° | 180.0° |
CE | CD | HD | HDA | 118.1° | 120.0° |
CD | CE | HE | HEA | 118.5° | 120.0° |
CE | CD | CG | HG | 84.5° | 60.0° |
CE | CD | CG | HGA | 35.5° | 60.0° |
CD | CE | NZ | HNZ | 22.5° | 56.1° |
CB | CG | CD | HG | 120.0° | 120.0° |
CB | CG | CD | HGA | 120.0° | 120.0° |
CG | CB | CA | HA | 20.2° | 55.0° |
CG | CB | HB | HBA | 118.1° | 120.0° |
CB | CG | CD | HD | 84.6° | 60.0° |
CB | CG | CD | HDA | 35.4° | 60.0° |
CB | CG | HG | HGA | 120.0° | 119.9° |
CG | CD | CE | NZ | 131.4° | 180.0° |
CD | CG | CB | HB | 105.3° | 60.0° |
CD | CG | CB | HBA | 14.7° | 60.0° |
CG | CD | HD | HDA | 118.1° | 120.0° |
CG | CD | CE | HE | 108.6° | 60.0° |
CG | CD | CE | HEA | 11.4° | 60.0° |
CD | CG | HG | HGA | 120.1° | 120.1° |
CE | NZ | C13 | HNZ | 120.0° | 123.9° |
CE | NZ | C13 | C12 | 135.2° | 155.0° |
CE | NZ | C13 | C14 | 9.2° | 85.0° |
NZ | CE | CD | HD | 108.6° | 60.0° |
NZ | CE | CD | HDA | 11.4° | 60.0° |
NZ | CE | HE | HEA | 118.5° | 120.0° |
CE | NZ | C13 | H13 | 107.0° | 35.0° |
C8 | C11 | C12 | C16 | 120.4° | 120.0° |
C8 | C11 | C12 | C13 | 76.1° | 60.0° |
C8 | C11 | O1 | HO1 | 180.0° | 180.0° |
C11 | C8 | H8 | H8A | 120.0° | 120.0° |
C11 | C8 | H8 | H8B | 120.0° | 120.0° |
C11 | C8 | H8A | H8B | 120.0° | 120.0° |
C8 | C11 | C12 | H12 | 43.9° | 180.0° |
C8 | C11 | C12 | H12A | 163.9° | 60.0° |
C8 | C11 | C16 | H16 | 64.9° | 60.0° |
C8 | C11 | C16 | H16A | 175.1° | 60.0° |
C8 | C11 | C16 | H16B | 55.1° | 180.0° |
C11 | C12 | C13 | NZ | 117.8° | 65.0° |
C11 | C12 | C13 | H12 | 120.0° | 120.0° |
C11 | C12 | C13 | H12A | 120.0° | 120.0° |
C11 | C12 | C13 | C14 | 115.2° | 175.0° |
C12 | C11 | O1 | HO1 | 56.9° | 60.1° |
C12 | C11 | C8 | H8 | 61.1° | 60.0° |
C12 | C11 | C8 | H8A | 179.0° | 60.0° |
C12 | C11 | C8 | H8B | 59.0° | 180.0° |
C11 | C12 | H12 | H12A | 117.3° | 120.0° |
C11 | C12 | C13 | H13 | 1.3° | 55.0° |
C12 | C11 | C16 | H16 | 60.3° | 180.0° |
C12 | C11 | C16 | H16A | 59.7° | 60.0° |
C12 | C11 | C16 | H16B | 179.7° | 60.0° |
NZ | C13 | C12 | C14 | 127.0° | 120.0° |
NZ | C13 | C12 | H13 | 116.5° | 120.0° |
NZ | C13 | C14 | H13 | 116.3° | 120.0° |
C13 | NZ | CE | HE | 97.5° | 60.0° |
C13 | NZ | CE | HEA | 22.5° | 59.9° |
NZ | C13 | C12 | H12 | 2.2° | 55.0° |
NZ | C13 | C12 | H12A | 122.2° | 175.0° |
NZ | C13 | C14 | H14 | 180.0° | 60.0° |
NZ | C13 | C14 | H14A | 60.0° | 180.0° |
NZ | C13 | C14 | H14B | 60.0° | 60.0° |
C12 | C13 | C14 | H13 | 117.8° | 120.0° |
C13 | C12 | C11 | C16 | 44.3° | 180.0° |
C12 | C13 | NZ | HNZ | 15.2° | 81.1° |
C13 | C12 | H12 | H12A | 117.2° | 120.0° |
C12 | C13 | C14 | H14 | 54.1° | 60.0° |
C12 | C13 | C14 | H14A | 174.1° | 60.0° |
C12 | C13 | C14 | H14B | 65.9° | 180.0° |
C14 | C13 | NZ | HNZ | 110.8° | 38.9° |
C14 | C13 | C12 | H12 | 124.8° | 65.0° |
C14 | C13 | C12 | H12A | 4.8° | 55.0° |
C13 | C14 | H14 | H14A | 120.0° | 120.0° |
C13 | C14 | H14 | H14B | 120.0° | 120.1° |
C13 | C14 | H14A | H14B | 120.0° | 120.0° |
C16 | C11 | O1 | HO1 | 66.3° | 60.0° |
C16 | C11 | C8 | H8 | 63.7° | 180.0° |
C16 | C11 | C8 | H8A | 56.3° | 60.0° |
C16 | C11 | C8 | H8B | 176.3° | 60.0° |
C16 | C11 | C12 | H12 | 164.3° | 60.0° |
C16 | C11 | C12 | H12A | 75.7° | 60.0° |
C11 | C16 | H16 | H16A | 120.0° | 120.0° |
C11 | C16 | H16 | H16B | 120.0° | 120.0° |
C11 | C16 | H16A | H16B | 120.0° | 120.0° |
OXT | C | CA | HA | 28.4° | 40.3° |
HN | N | CA | HA | 61.8° | 56.0° |
HNA | N | CA | HA | 58.2° | 180.0° |
H8 | C8 | H8A | H8B | 120.0° | 120.0° |
HA | CA | CB | HB | 140.2° | 175.0° |
HA | CA | CB | HBA | 99.8° | 65.0° |
HB | CB | CG | HG | 134.7° | 180.0° |
HB | CB | CG | HGA | 14.7° | 60.1° |
HBA | CB | CG | HG | 105.3° | 60.0° |
HBA | CB | CG | HGA | 134.7° | 179.9° |
HD | CD | CE | HE | 11.4° | 60.0° |
HD | CD | CE | HEA | 131.4° | 180.0° |
HD | CD | CG | HG | 35.4° | 60.0° |
HD | CD | CG | HGA | 155.4° | 180.0° |
HDA | CD | CE | HE | 131.4° | 180.0° |
HDA | CD | CE | HEA | 108.6° | 60.0° |
HDA | CD | CG | HG | 155.4° | 180.0° |
HDA | CD | CG | HGA | 84.6° | 60.0° |
HE | CE | NZ | HNZ | 142.5° | 176.1° |
HEA | CE | NZ | HNZ | 97.5° | 64.0° |
HNZ | NZ | C13 | H13 | 133.0° | 158.9° |
H12 | C12 | C13 | H13 | 118.7° | 175.0° |
H12A | C12 | C13 | H13 | 121.3° | 65.0° |
H13 | C13 | C14 | H14 | 63.7° | 179.9° |
H13 | C13 | C14 | H14A | 56.3° | 60.0° |
H13 | C13 | C14 | H14B | 176.3° | 60.0° |
H14 | C14 | H14A | H14B | 120.0° | 120.0° |
H16 | C16 | H16A | H16B | 120.0° | 120.0° |