LA2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CB | CG | sing | 1.53Å | 1.53Å | |
CB | HB | sing | 1.09Å | 1.10Å | |
CB | HBA | sing | 1.09Å | 1.10Å | |
C | CA | sing | 1.51Å | 1.51Å | |
C | OXT | sing | 1.34Å | 1.43Å | |
O | C | doub | 1.21Å | 1.23Å | |
N | CA | sing | 1.47Å | 1.46Å | |
N | HN | sing | 1.01Å | 1.00Å | |
N | HNA | sing | 1.01Å | 1.00Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
C1 | O1 | doub | 1.21Å | 1.22Å | |
NZ | C1 | sing | 1.35Å | 1.33Å | |
NZ | CE | sing | 1.46Å | 1.45Å | |
NZ | HNZ | sing | 0.97Å | 1.00Å | |
CE | HE | sing | 1.09Å | 1.10Å | |
CE | HEA | sing | 1.09Å | 1.10Å | |
CD | CE | 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 | |
CG | HG | sing | 1.09Å | 1.10Å | |
CG | HGA | sing | 1.09Å | 1.10Å | |
C2 | C1 | sing | 1.51Å | 1.51Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H2A | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C4 | C3 | sing | 1.53Å | 1.52Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H5A | sing | 1.09Å | 1.10Å | |
C6 | C5 | sing | 1.53Å | 1.52Å | |
C6 | C7 | sing | 1.53Å | 1.52Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
S6 | C6 | sing | 1.81Å | 1.79Å | |
S6 | HS6 | sing | 1.35Å | 1.30Å | |
C7 | C8 | sing | 1.53Å | 1.52Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
S8 | C8 | sing | 1.81Å | 1.81Å | |
S8 | HS8 | sing | 1.34Å | 1.30Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CG | CB | HB | 108.4° | 109.4° |
CG | CB | HBA | 107.6° | 109.4° |
CG | CB | CA | 112.7° | 109.5° |
CB | CG | CD | 113.5° | 109.5° |
CB | CG | HG | 108.1° | 109.5° |
CB | CG | HGA | 107.2° | 109.5° |
HB | CB | HBA | 112.0° | 109.5° |
HB | CB | CA | 108.4° | 109.5° |
HBA | CB | CA | 107.7° | 109.5° |
CA | C | OXT | 119.8° | 120.0° |
CA | C | O | 120.3° | 120.0° |
C | CA | N | 114.4° | 109.5° |
C | CA | CB | 109.4° | 109.5° |
C | CA | HA | 105.8° | 109.4° |
OXT | C | O | 119.8° | 120.0° |
C | OXT | HXT | 109.5° | 117.0° |
CA | N | HN | 109.5° | 111.0° |
CA | N | HNA | 109.5° | 111.0° |
N | CA | CB | 108.3° | 109.5° |
N | CA | HA | 106.9° | 109.5° |
HN | N | HNA | 109.5° | 111.0° |
CB | CA | HA | 112.2° | 109.5° |
O1 | C1 | NZ | 123.4° | 120.0° |
O1 | C1 | C2 | 121.0° | 120.0° |
C1 | NZ | CE | 127.8° | 120.0° |
C1 | NZ | HNZ | 116.1° | 120.0° |
NZ | C1 | C2 | 115.7° | 120.0° |
CE | NZ | HNZ | 116.1° | 120.0° |
NZ | CE | HE | 110.5° | 109.5° |
NZ | CE | HEA | 111.2° | 109.5° |
NZ | CE | CD | 106.3° | 109.5° |
HE | CE | HEA | 107.0° | 109.4° |
HE | CE | CD | 110.6° | 109.4° |
HEA | CE | CD | 111.3° | 109.5° |
CE | CD | CG | 111.1° | 109.5° |
CE | CD | HD | 108.9° | 109.4° |
CE | CD | HDA | 108.6° | 109.5° |
CG | CD | HD | 109.0° | 109.5° |
CG | CD | HDA | 108.6° | 109.5° |
CD | CG | HG | 108.2° | 109.5° |
CD | CG | HGA | 107.3° | 109.5° |
HD | CD | HDA | 110.7° | 109.4° |
HG | CG | HGA | 112.7° | 109.4° |
C1 | C2 | C3 | 109.1° | 109.5° |
C1 | C2 | H2 | 109.6° | 109.5° |
C1 | C2 | H2A | 109.7° | 109.5° |
C3 | C2 | H2 | 109.6° | 109.5° |
C3 | C2 | H2A | 109.6° | 109.5° |
C2 | C3 | H3 | 108.8° | 109.5° |
C2 | C3 | H3A | 108.4° | 109.5° |
C2 | C3 | C4 | 111.5° | 109.5° |
H2 | C2 | H2A | 109.2° | 109.4° |
H3 | C3 | H3A | 111.0° | 109.5° |
H3 | C3 | C4 | 108.8° | 109.4° |
H3A | C3 | C4 | 108.3° | 109.5° |
C3 | C4 | C5 | 110.6° | 109.5° |
C3 | C4 | H4 | 109.1° | 109.4° |
C3 | C4 | H4A | 108.8° | 109.5° |
C5 | C4 | H4 | 109.1° | 109.5° |
C5 | C4 | H4A | 108.8° | 109.5° |
C4 | C5 | H5 | 108.9° | 109.5° |
C4 | C5 | H5A | 108.5° | 109.5° |
C4 | C5 | C6 | 111.2° | 109.5° |
H4 | C4 | H4A | 110.4° | 109.5° |
H5 | C5 | H5A | 110.8° | 109.4° |
H5 | C5 | C6 | 108.9° | 109.5° |
H5A | C5 | C6 | 108.5° | 109.5° |
C5 | C6 | C7 | 110.3° | 109.5° |
C5 | C6 | H6 | 108.5° | 109.4° |
C5 | C6 | S6 | 109.7° | 109.4° |
C7 | C6 | H6 | 109.5° | 109.5° |
C7 | C6 | S6 | 108.7° | 109.5° |
C6 | C7 | C8 | 110.5° | 109.5° |
C6 | C7 | H7 | 109.1° | 109.5° |
C6 | C7 | H7A | 108.9° | 109.5° |
H6 | C6 | S6 | 110.1° | 109.5° |
C6 | S6 | HS6 | 109.5° | 103.0° |
C8 | C7 | H7 | 109.1° | 109.4° |
C8 | C7 | H7A | 108.9° | 109.5° |
C7 | C8 | H8 | 109.1° | 109.5° |
C7 | C8 | H8A | 108.9° | 109.5° |
C7 | C8 | S8 | 110.6° | 109.5° |
H7 | C7 | H7A | 110.3° | 109.5° |
H8 | C8 | H8A | 110.3° | 109.4° |
H8 | C8 | S8 | 109.1° | 109.4° |
H8A | C8 | S8 | 108.8° | 109.5° |
C8 | S8 | HS8 | 109.5° | 103.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CG | CB | HB | HBA | 118.6° | 120.0° |
CG | CB | HB | CA | 122.7° | 120.0° |
CG | CB | HBA | CA | 121.8° | 120.0° |
CG | CB | CA | C | 176.6° | 175.0° |
CG | CB | CA | N | 58.2° | 65.0° |
CG | CB | CA | HA | 59.5° | 55.0° |
CB | CG | CD | CE | 68.7° | 180.0° |
CB | CG | CD | HG | 120.0° | 120.0° |
CB | CG | CD | HGA | 118.2° | 120.0° |
CB | CG | CD | HD | 171.3° | 60.0° |
CB | CG | CD | HDA | 50.6° | 60.0° |
CB | CG | HG | HGA | 118.3° | 120.0° |
HB | CB | HBA | CA | 119.1° | 120.1° |
HB | CB | CA | C | 56.5° | 65.1° |
HB | CB | CA | N | 178.2° | 54.9° |
HB | CB | CA | HA | 60.5° | 175.0° |
HB | CB | CG | CD | 63.9° | 60.0° |
HB | CB | CG | HG | 176.1° | 180.0° |
HB | CB | CG | HGA | 54.3° | 60.0° |
HBA | CB | CA | C | 64.9° | 55.0° |
HBA | CB | CA | N | 60.4° | 175.0° |
HBA | CB | CA | HA | 178.1° | 65.0° |
HBA | CB | CG | CD | 174.7° | 60.0° |
HBA | CB | CG | HG | 54.7° | 60.0° |
HBA | CB | CG | HGA | 67.1° | 180.0° |
CA | C | OXT | O | 180.0° | 179.9° |
C | CA | N | CB | 122.2° | 120.0° |
C | CA | N | HA | 116.7° | 120.0° |
C | CA | N | HN | 56.7° | 64.0° |
C | CA | N | HNA | 63.3° | 60.0° |
C | CA | CB | HA | 117.0° | 120.0° |
CA | C | OXT | HXT | 180.0° | 180.0° |
OXT | C | CA | N | 31.2° | 160.0° |
OXT | C | CA | CB | 90.5° | 80.0° |
OXT | C | CA | HA | 148.5° | 40.0° |
O | C | CA | N | 148.8° | 20.0° |
O | C | CA | CB | 89.6° | 100.0° |
O | C | CA | HA | 31.4° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.1° |
CA | N | HN | HNA | 120.0° | 124.0° |
N | CA | CB | HA | 117.7° | 120.0° |
HN | N | CA | CB | 178.9° | 176.0° |
HN | N | CA | HA | 60.0° | 56.0° |
HNA | N | CA | CB | 58.9° | 59.9° |
HNA | N | CA | HA | 180.0° | 180.0° |
CA | CB | CG | CD | 56.1° | 180.0° |
CA | CB | CG | HG | 63.9° | 60.0° |
CA | CB | CG | HGA | 174.3° | 60.0° |
O1 | C1 | NZ | C2 | 179.9° | 179.9° |
O1 | C1 | NZ | CE | 0.6° | 0.1° |
O1 | C1 | NZ | HNZ | 179.4° | 179.9° |
O1 | C1 | C2 | C3 | 61.0° | 0.1° |
O1 | C1 | C2 | H2 | 179.0° | 120.0° |
O1 | C1 | C2 | H2A | 59.2° | 120.1° |
C1 | NZ | CE | HNZ | 180.0° | 180.0° |
C1 | NZ | CE | HE | 158.0° | 60.0° |
C1 | NZ | CE | HEA | 39.2° | 60.0° |
C1 | NZ | CE | CD | 82.0° | 180.0° |
NZ | C1 | C2 | C3 | 119.2° | 180.0° |
NZ | C1 | C2 | H2 | 0.9° | 59.9° |
NZ | C1 | C2 | H2A | 120.7° | 60.0° |
NZ | CE | HE | HEA | 121.3° | 120.0° |
NZ | CE | HE | CD | 117.4° | 120.1° |
NZ | CE | HEA | CD | 118.3° | 120.1° |
NZ | CE | CD | CG | 173.3° | 180.0° |
NZ | CE | CD | HD | 53.3° | 60.0° |
NZ | CE | CD | HDA | 67.4° | 60.0° |
CE | NZ | C1 | C2 | 179.5° | 180.0° |
HNZ | NZ | CE | HE | 22.0° | 120.0° |
HNZ | NZ | CE | HEA | 140.8° | 120.0° |
HNZ | NZ | CE | CD | 98.0° | 0.0° |
HNZ | NZ | C1 | C2 | 0.5° | 0.0° |
HE | CE | HEA | CD | 120.9° | 119.9° |
HE | CE | CD | CG | 66.7° | 60.0° |
HE | CE | CD | HD | 173.3° | 180.0° |
HE | CE | CD | HDA | 52.6° | 60.1° |
HEA | CE | CD | CG | 52.1° | 59.9° |
HEA | CE | CD | HD | 67.9° | 60.1° |
HEA | CE | CD | HDA | 171.4° | 180.0° |
CE | CD | CG | HD | 120.0° | 120.0° |
CE | CD | CG | HDA | 119.3° | 120.0° |
CE | CD | HD | HDA | 119.3° | 119.9° |
CE | CD | CG | HG | 171.3° | 60.0° |
CE | CD | CG | HGA | 49.5° | 60.0° |
CG | CD | HD | HDA | 119.4° | 120.0° |
CD | CG | HG | HGA | 118.4° | 120.0° |
HD | CD | CG | HG | 51.3° | 60.0° |
HD | CD | CG | HGA | 70.5° | 180.0° |
HDA | CD | CG | HG | 69.3° | 180.0° |
HDA | CD | CG | HGA | 168.8° | 60.0° |
C1 | C2 | C3 | H2 | 120.0° | 120.0° |
C1 | C2 | C3 | H2A | 120.1° | 120.0° |
C1 | C2 | H2 | H2A | 120.2° | 120.0° |
C1 | C2 | C3 | H3 | 110.3° | 60.0° |
C1 | C2 | C3 | H3A | 10.5° | 60.0° |
C1 | C2 | C3 | C4 | 129.7° | 180.0° |
C3 | C2 | H2 | H2A | 120.1° | 120.0° |
C2 | C3 | H3 | H3A | 119.2° | 120.0° |
C2 | C3 | H3 | C4 | 121.7° | 120.0° |
C2 | C3 | H3A | C4 | 121.1° | 120.0° |
C2 | C3 | C4 | C5 | 164.4° | 180.0° |
C2 | C3 | C4 | H4 | 75.6° | 60.0° |
C2 | C3 | C4 | H4A | 44.9° | 60.0° |
H2 | C2 | C3 | H3 | 129.7° | 180.0° |
H2 | C2 | C3 | H3A | 109.4° | 60.0° |
H2 | C2 | C3 | C4 | 9.7° | 60.0° |
H2A | C2 | C3 | H3 | 9.8° | 60.0° |
H2A | C2 | C3 | H3A | 130.7° | 180.0° |
H2A | C2 | C3 | C4 | 110.2° | 60.0° |
H3 | C3 | H3A | C4 | 119.4° | 120.0° |
H3 | C3 | C4 | C5 | 44.4° | 60.0° |
H3 | C3 | C4 | H4 | 164.4° | 180.0° |
H3 | C3 | C4 | H4A | 75.1° | 60.0° |
H3A | C3 | C4 | C5 | 76.4° | 60.0° |
H3A | C3 | C4 | H4 | 43.6° | 60.0° |
H3A | C3 | C4 | H4A | 164.1° | 180.0° |
C3 | C4 | C5 | H4 | 120.0° | 120.0° |
C3 | C4 | C5 | H4A | 119.5° | 120.0° |
C3 | C4 | H4 | H4A | 119.5° | 120.0° |
C3 | C4 | C5 | H5 | 91.1° | 60.0° |
C3 | C4 | C5 | H5A | 29.6° | 60.0° |
C3 | C4 | C5 | C6 | 148.9° | 180.0° |
C5 | C4 | H4 | H4A | 119.5° | 120.1° |
C4 | C5 | H5 | H5A | 119.3° | 120.0° |
C4 | C5 | H5 | C6 | 121.4° | 120.0° |
C4 | C5 | H5A | C6 | 121.0° | 120.0° |
C4 | C5 | C6 | C7 | 171.0° | 175.0° |
C4 | C5 | C6 | H6 | 51.1° | 55.0° |
C4 | C5 | C6 | S6 | 69.3° | 65.0° |
H4 | C4 | C5 | H5 | 148.9° | 180.0° |
H4 | C4 | C5 | H5A | 90.4° | 60.0° |
H4 | C4 | C5 | C6 | 28.9° | 60.0° |
H4A | C4 | C5 | H5 | 28.4° | 60.0° |
H4A | C4 | C5 | H5A | 149.1° | 180.0° |
H4A | C4 | C5 | C6 | 91.6° | 60.0° |
H5 | C5 | H5A | C6 | 119.6° | 120.0° |
H5 | C5 | C6 | C7 | 69.0° | 65.0° |
H5 | C5 | C6 | H6 | 171.0° | 175.0° |
H5 | C5 | C6 | S6 | 50.7° | 55.1° |
H5A | C5 | C6 | C7 | 51.7° | 55.0° |
H5A | C5 | C6 | H6 | 68.2° | 65.0° |
H5A | C5 | C6 | S6 | 171.5° | 175.0° |
C5 | C6 | C7 | H6 | 119.3° | 120.0° |
C5 | C6 | C7 | S6 | 120.3° | 120.0° |
C5 | C6 | H6 | S6 | 120.1° | 119.9° |
C5 | C6 | S6 | HS6 | 123.7° | 60.1° |
C5 | C6 | C7 | C8 | 113.3° | 175.0° |
C5 | C6 | C7 | H7 | 126.7° | 65.0° |
C5 | C6 | C7 | H7A | 6.3° | 55.0° |
C7 | C6 | H6 | S6 | 119.5° | 120.1° |
C7 | C6 | S6 | HS6 | 2.9° | 59.9° |
C6 | C7 | C8 | H7 | 120.0° | 120.0° |
C6 | C7 | C8 | H7A | 119.6° | 120.0° |
C6 | C7 | H7 | H7A | 119.6° | 120.0° |
C6 | C7 | C8 | H8 | 147.3° | 60.0° |
C6 | C7 | C8 | H8A | 26.9° | 60.0° |
C6 | C7 | C8 | S8 | 92.7° | 180.0° |
H6 | C6 | S6 | HS6 | 117.0° | 180.0° |
H6 | C6 | C7 | C8 | 6.0° | 55.0° |
H6 | C6 | C7 | H7 | 113.9° | 175.0° |
H6 | C6 | C7 | H7A | 125.6° | 65.0° |
S6 | C6 | C7 | C8 | 126.4° | 65.0° |
S6 | C6 | C7 | H7 | 6.4° | 55.0° |
S6 | C6 | C7 | H7A | 114.1° | 175.0° |
C8 | C7 | H7 | H7A | 119.6° | 120.0° |
C7 | C8 | H8 | H8A | 119.6° | 120.0° |
C7 | C8 | H8 | S8 | 120.9° | 120.0° |
C7 | C8 | H8A | S8 | 120.6° | 120.1° |
C7 | C8 | S8 | HS8 | 171.9° | 180.0° |
H7 | C7 | C8 | H8 | 92.7° | 179.9° |
H7 | C7 | C8 | H8A | 146.8° | 60.0° |
H7 | C7 | C8 | S8 | 27.3° | 60.1° |
H7A | C7 | C8 | H8 | 27.7° | 60.0° |
H7A | C7 | C8 | H8A | 92.7° | 180.0° |
H7A | C7 | C8 | S8 | 147.8° | 60.0° |
H8 | C8 | H8A | S8 | 119.7° | 119.9° |
H8 | C8 | S8 | HS8 | 51.9° | 60.0° |
H8A | C8 | S8 | HS8 | 68.5° | 60.0° |