LYF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CA | C | sing | 1.51Å | 1.51Å | |
C | O | doub | 1.21Å | 1.24Å | |
C | OXT | sing | 1.34Å | 1.33Å | |
CA | N | sing | 1.47Å | 1.46Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CB | CA | sing | 1.53Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CG | CB | sing | 1.53Å | 1.52Å | |
CB | HB | sing | 1.09Å | 1.10Å | |
CB | HBA | sing | 1.09Å | 1.10Å | |
CE | CD | sing | 1.53Å | 1.52Å | |
CD | CG | sing | 1.53Å | 1.53Å | |
CD | HD | sing | 1.09Å | 1.10Å | |
CD | HDA | sing | 1.09Å | 1.10Å | |
NZ | CE | sing | 1.46Å | 1.46Å | |
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 | |
C41 | NZ | doub | 1.28Å | 1.27Å | |
C11 | C12 | sing | 1.53Å | 1.51Å | |
C11 | C41 | sing | 1.51Å | 1.51Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H11A | sing | 1.09Å | 1.10Å | |
O17 | C12 | sing | 1.43Å | 1.44Å | |
C13 | C12 | sing | 1.53Å | 1.53Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C18 | C13 | sing | 1.53Å | 1.52Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C13 | H13A | sing | 1.09Å | 1.10Å | |
O16 | C14 | doub | 1.21Å | 1.26Å | |
C14 | O15 | sing | 1.35Å | 1.25Å | |
C14 | C41 | sing | 1.48Å | 1.46Å | |
O15 | HO15 | sing | 0.97Å | 0.95Å | |
O17 | HO17 | sing | 0.97Å | 0.95Å | |
C18 | C20 | sing | 1.51Å | 1.52Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H18A | sing | 1.09Å | 1.10Å | |
O22 | C20 | doub | 1.21Å | 1.25Å | |
C20 | O21 | sing | 1.34Å | 1.25Å | |
O21 | HO21 | sing | 0.97Å | 0.95Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | C | O | 120.7° | 120.0° |
CA | C | OXT | 116.1° | 120.0° |
C | CA | N | 106.1° | 109.4° |
C | CA | CB | 112.6° | 109.5° |
C | CA | HA | 110.2° | 109.4° |
O | C | OXT | 123.2° | 120.0° |
C | OXT | HXT | 109.5° | 117.0° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.4° | 111.0° |
N | CA | CB | 111.0° | 109.5° |
N | CA | HA | 111.8° | 109.5° |
H | N | H2 | 109.5° | 111.1° |
CB | CA | HA | 105.2° | 109.5° |
CA | CB | CG | 113.9° | 109.4° |
CA | CB | HB | 108.0° | 109.4° |
CA | CB | HBA | 108.0° | 109.4° |
CG | CB | HB | 108.0° | 109.5° |
CG | CB | HBA | 108.0° | 109.5° |
CB | CG | CD | 111.4° | 109.4° |
CB | CG | HG | 108.9° | 109.4° |
CB | CG | HGA | 108.8° | 109.5° |
HB | CB | HBA | 110.9° | 109.5° |
CE | CD | CG | 111.1° | 109.5° |
CE | CD | HD | 108.9° | 109.5° |
CE | CD | HDA | 108.9° | 109.5° |
CD | CE | NZ | 107.3° | 109.5° |
CD | CE | HE | 110.2° | 109.4° |
CD | CE | HEA | 110.2° | 109.5° |
CG | CD | HD | 108.9° | 109.4° |
CG | CD | HDA | 108.9° | 109.4° |
CD | CG | HG | 108.8° | 109.5° |
CD | CG | HGA | 108.9° | 109.5° |
HD | CD | HDA | 110.0° | 109.5° |
NZ | CE | HE | 110.2° | 109.5° |
NZ | CE | HEA | 110.2° | 109.5° |
CE | NZ | C41 | 129.4° | 120.0° |
HE | CE | HEA | 108.7° | 109.4° |
HG | CG | HGA | 110.1° | 109.5° |
NZ | C41 | C11 | 120.5° | 120.0° |
NZ | C41 | C14 | 120.8° | 120.0° |
C12 | C11 | C41 | 115.6° | 109.5° |
C12 | C11 | H11 | 107.5° | 109.5° |
C12 | C11 | H11A | 107.5° | 109.5° |
C11 | C12 | O17 | 102.9° | 109.5° |
C11 | C12 | C13 | 111.9° | 109.4° |
C11 | C12 | H12 | 112.8° | 109.4° |
C41 | C11 | H11 | 107.5° | 109.4° |
C41 | C11 | H11A | 107.5° | 109.5° |
C11 | C41 | C14 | 118.6° | 120.0° |
H11 | C11 | H11A | 111.4° | 109.5° |
O17 | C12 | C13 | 111.1° | 109.5° |
O17 | C12 | H12 | 113.5° | 109.5° |
C12 | O17 | HO17 | 109.5° | 114.0° |
C13 | C12 | H12 | 104.8° | 109.5° |
C12 | C13 | C18 | 111.9° | 109.4° |
C12 | C13 | H13 | 108.6° | 109.5° |
C12 | C13 | H13A | 108.7° | 109.5° |
C18 | C13 | H13 | 108.7° | 109.4° |
C18 | C13 | H13A | 108.7° | 109.5° |
C13 | C18 | C20 | 111.7° | 109.4° |
C13 | C18 | H18 | 108.7° | 109.5° |
C13 | C18 | H18A | 108.8° | 109.5° |
H13 | C13 | H13A | 110.3° | 109.5° |
O16 | C14 | O15 | 121.8° | 119.9° |
O16 | C14 | C41 | 119.6° | 120.0° |
O15 | C14 | C41 | 118.6° | 120.0° |
C14 | O15 | HO15 | 109.5° | 117.1° |
C20 | C18 | H18 | 108.7° | 109.4° |
C20 | C18 | H18A | 108.7° | 109.4° |
C18 | C20 | O22 | 118.7° | 120.0° |
C18 | C20 | O21 | 118.2° | 120.0° |
H18 | C18 | H18A | 110.2° | 109.5° |
O22 | C20 | O21 | 123.1° | 120.0° |
C20 | O21 | HO21 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | C | O | OXT | 178.9° | 179.6° |
C | CA | N | CB | 122.6° | 120.0° |
C | CA | N | HA | 120.2° | 119.9° |
C | CA | N | H | 180.0° | 64.0° |
C | CA | N | H2 | 60.0° | 60.1° |
C | CA | CB | HA | 120.1° | 120.0° |
C | CA | CB | CG | 52.8° | 175.0° |
C | CA | CB | HB | 172.8° | 65.0° |
C | CA | CB | HBA | 67.2° | 55.0° |
CA | C | OXT | HXT | 179.0° | 179.7° |
O | C | CA | N | 70.1° | 20.0° |
O | C | CA | CB | 51.6° | 100.0° |
O | C | CA | HA | 168.7° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.1° |
OXT | C | CA | N | 108.9° | 160.3° |
OXT | C | CA | CB | 129.4° | 79.7° |
OXT | C | CA | HA | 12.3° | 40.3° |
CA | N | H | H2 | 120.0° | 124.0° |
N | CA | CB | HA | 121.1° | 120.0° |
N | CA | CB | CG | 171.6° | 65.0° |
N | CA | CB | HB | 68.4° | 55.0° |
N | CA | CB | HBA | 51.6° | 175.0° |
H | N | CA | CB | 57.4° | 176.0° |
H | N | CA | HA | 59.8° | 56.0° |
H2 | N | CA | CB | 177.4° | 60.0° |
H2 | N | CA | HA | 60.2° | 180.0° |
CA | CB | CG | HB | 120.0° | 120.0° |
CA | CB | CG | HBA | 120.0° | 120.0° |
CA | CB | HB | HBA | 118.2° | 119.9° |
CA | CB | CG | CD | 177.6° | 180.0° |
CA | CB | CG | HG | 57.6° | 60.0° |
CA | CB | CG | HGA | 62.4° | 60.0° |
HA | CA | CB | CG | 67.3° | 55.0° |
HA | CA | CB | HB | 52.7° | 175.0° |
HA | CA | CB | HBA | 172.7° | 65.0° |
CG | CB | HB | HBA | 118.2° | 120.1° |
CB | CG | CD | CE | 174.4° | 180.0° |
CB | CG | CD | HG | 120.0° | 119.9° |
CB | CG | CD | HGA | 120.0° | 120.0° |
CB | CG | CD | HD | 65.6° | 60.0° |
CB | CG | CD | HDA | 54.4° | 60.0° |
CB | CG | HG | HGA | 119.2° | 120.0° |
HB | CB | CG | CD | 62.4° | 60.1° |
HB | CB | CG | HG | 177.6° | 180.0° |
HB | CB | CG | HGA | 57.6° | 60.0° |
HBA | CB | CG | CD | 57.6° | 60.0° |
HBA | CB | CG | HG | 62.4° | 59.9° |
HBA | CB | CG | HGA | 177.6° | 179.9° |
CE | CD | CG | HD | 120.0° | 120.0° |
CE | CD | CG | HDA | 120.0° | 120.0° |
CE | CD | HD | HDA | 119.3° | 120.0° |
CD | CE | NZ | HE | 120.0° | 120.0° |
CD | CE | NZ | HEA | 120.0° | 120.0° |
CD | CE | HE | HEA | 120.9° | 119.9° |
CE | CD | CG | HG | 65.6° | 60.1° |
CE | CD | CG | HGA | 54.4° | 60.0° |
CD | CE | NZ | C41 | 162.3° | 175.2° |
CG | CD | HD | HDA | 119.3° | 120.0° |
CG | CD | CE | NZ | 167.3° | 180.0° |
CG | CD | CE | HE | 47.3° | 60.0° |
CG | CD | CE | HEA | 72.7° | 59.9° |
CD | CG | HG | HGA | 119.2° | 120.0° |
HD | CD | CE | NZ | 47.3° | 60.0° |
HD | CD | CE | HE | 72.7° | 60.0° |
HD | CD | CE | HEA | 167.3° | 179.9° |
HD | CD | CG | HG | 54.4° | 59.9° |
HD | CD | CG | HGA | 174.4° | 180.0° |
HDA | CD | CE | NZ | 72.7° | 60.0° |
HDA | CD | CE | HE | 167.4° | 179.9° |
HDA | CD | CE | HEA | 47.4° | 60.0° |
HDA | CD | CG | HG | 174.4° | 180.0° |
HDA | CD | CG | HGA | 65.6° | 60.0° |
NZ | CE | HE | HEA | 120.9° | 120.1° |
CE | NZ | C41 | C11 | 3.9° | 5.6° |
CE | NZ | C41 | C14 | 179.7° | 174.4° |
HE | CE | NZ | C41 | 77.7° | 55.2° |
HEA | CE | NZ | C41 | 42.3° | 64.8° |
NZ | C41 | C11 | C12 | 84.9° | 84.8° |
NZ | C41 | C11 | C14 | 176.4° | 180.0° |
NZ | C41 | C11 | H11 | 155.1° | 35.1° |
NZ | C41 | C11 | H11A | 35.1° | 155.1° |
NZ | C41 | C14 | O16 | 170.9° | 180.0° |
NZ | C41 | C14 | O15 | 9.9° | 0.0° |
C12 | C11 | C41 | H11 | 120.0° | 120.0° |
C12 | C11 | C41 | H11A | 120.0° | 120.0° |
C12 | C11 | H11 | H11A | 117.5° | 120.0° |
C11 | C12 | O17 | C13 | 119.9° | 120.0° |
C11 | C12 | O17 | H12 | 122.2° | 120.0° |
C11 | C12 | C13 | H12 | 122.6° | 120.0° |
C11 | C12 | C13 | C18 | 165.4° | 175.0° |
C11 | C12 | C13 | H13 | 45.4° | 65.0° |
C11 | C12 | C13 | H13A | 74.6° | 55.0° |
C12 | C11 | C41 | C14 | 98.7° | 95.2° |
C11 | C12 | O17 | HO17 | 180.0° | 60.0° |
C41 | C11 | H11 | H11A | 117.5° | 120.0° |
C41 | C11 | C12 | O17 | 179.4° | 65.0° |
C41 | C11 | C12 | C13 | 61.3° | 175.0° |
C41 | C11 | C12 | H12 | 56.6° | 55.0° |
C11 | C41 | C14 | O16 | 12.7° | 0.0° |
C11 | C41 | C14 | O15 | 166.6° | 180.0° |
H11 | C11 | C12 | O17 | 60.6° | 175.0° |
H11 | C11 | C12 | C13 | 58.7° | 55.0° |
H11 | C11 | C12 | H12 | 176.6° | 65.0° |
H11 | C11 | C41 | C14 | 21.3° | 144.9° |
H11A | C11 | C12 | O17 | 59.4° | 55.0° |
H11A | C11 | C12 | C13 | 178.7° | 65.0° |
H11A | C11 | C12 | H12 | 63.4° | 175.0° |
H11A | C11 | C41 | C14 | 141.3° | 24.9° |
O17 | C12 | C13 | H12 | 123.0° | 120.0° |
O17 | C12 | C13 | C18 | 51.0° | 65.0° |
O17 | C12 | C13 | H13 | 69.0° | 55.0° |
O17 | C12 | C13 | H13A | 171.0° | 175.0° |
C12 | C13 | C18 | H13 | 120.0° | 120.0° |
C12 | C13 | C18 | H13A | 120.0° | 120.0° |
C12 | C13 | H13 | H13A | 119.0° | 120.1° |
C13 | C12 | O17 | HO17 | 60.1° | 60.0° |
C12 | C13 | C18 | C20 | 151.7° | 180.0° |
C12 | C13 | C18 | H18 | 31.7° | 60.1° |
C12 | C13 | C18 | H18A | 88.3° | 60.0° |
H12 | C12 | C13 | C18 | 72.0° | 55.0° |
H12 | C12 | C13 | H13 | 168.0° | 175.0° |
H12 | C12 | C13 | H13A | 48.0° | 64.9° |
H12 | C12 | O17 | HO17 | 57.8° | 180.0° |
C18 | C13 | H13 | H13A | 119.0° | 120.0° |
C13 | C18 | C20 | H18 | 120.0° | 120.0° |
C13 | C18 | C20 | H18A | 120.0° | 120.0° |
C13 | C18 | H18 | H18A | 119.1° | 120.1° |
C13 | C18 | C20 | O22 | 102.0° | 0.0° |
C13 | C18 | C20 | O21 | 78.6° | 180.0° |
H13 | C13 | C18 | C20 | 88.3° | 60.0° |
H13 | C13 | C18 | H18 | 151.7° | 180.0° |
H13 | C13 | C18 | H18A | 31.7° | 60.0° |
H13A | C13 | C18 | C20 | 31.7° | 60.0° |
H13A | C13 | C18 | H18 | 88.3° | 59.9° |
H13A | C13 | C18 | H18A | 151.7° | 180.0° |
O16 | C14 | O15 | C41 | 179.2° | 180.0° |
O16 | C14 | O15 | HO15 | 0.0° | 0.0° |
C41 | C14 | O15 | HO15 | 179.2° | 180.0° |
C20 | C18 | H18 | H18A | 119.0° | 120.0° |
C18 | C20 | O22 | O21 | 179.4° | 180.0° |
C18 | C20 | O21 | HO21 | 179.4° | 180.0° |
H18 | C18 | C20 | O22 | 138.0° | 120.0° |
H18 | C18 | C20 | O21 | 41.4° | 60.0° |
H18A | C18 | C20 | O22 | 18.1° | 120.0° |
H18A | C18 | C20 | O21 | 161.4° | 60.0° |
O22 | C20 | O21 | HO21 | 0.0° | 0.1° |