C1S
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CH | CZ | doub | 1.31Å | 1.53Å | |
CZ | CE | sing | 1.51Å | 1.53Å | |
CE | SD | sing | 1.81Å | 1.83Å | |
SD | SG | sing | 2.05Å | 2.04Å | |
SG | CB | sing | 1.81Å | 1.81Å | |
CB | CA | sing | 1.53Å | 1.51Å | |
N | CA | sing | 1.47Å | 1.46Å | |
O | C | doub | 1.21Å | 1.25Å | |
CA | C | sing | 1.51Å | 1.54Å | |
C | OXT | sing | 1.34Å | 1.32Å | |
CA | H1 | sing | 1.09Å | 1.10Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
N | H3 | sing | 1.01Å | 1.00Å | |
CB | H5 | sing | 1.09Å | 1.10Å | |
CB | H6 | sing | 1.09Å | 1.10Å | |
CE | H7 | sing | 1.09Å | 1.10Å | |
CE | H8 | sing | 1.09Å | 1.10Å | |
CZ | H9 | sing | 1.08Å | 1.08Å | |
CH | H11 | sing | 1.08Å | 1.08Å | |
CH | H12 | 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) |
CH | CZ | CE | 115.4° | 120.1° |
CH | CZ | H9 | 122.3° | 120.0° |
CZ | CH | H11 | 120.0° | 119.9° |
CZ | CH | H12 | 120.0° | 120.0° |
CZ | CE | SD | 110.1° | 109.5° |
CZ | CE | H7 | 109.3° | 109.4° |
CZ | CE | H8 | 109.3° | 109.5° |
CE | CZ | H9 | 122.3° | 120.0° |
CE | SD | SG | 104.8° | 103.0° |
SD | CE | H7 | 109.3° | 109.5° |
SD | CE | H8 | 109.3° | 109.5° |
SD | SG | CB | 95.2° | 103.0° |
SG | CB | CA | 113.3° | 109.4° |
SG | CB | H5 | 108.5° | 109.4° |
SG | CB | H6 | 108.5° | 109.4° |
CB | CA | N | 111.5° | 109.5° |
CB | CA | C | 112.1° | 109.5° |
CB | CA | H1 | 107.6° | 109.5° |
CA | CB | H5 | 108.5° | 109.5° |
CA | CB | H6 | 108.5° | 109.5° |
N | CA | C | 109.8° | 109.5° |
N | CA | H1 | 108.3° | 109.5° |
CA | N | H2 | 109.5° | 111.0° |
CA | N | H3 | 109.5° | 111.0° |
O | C | CA | 123.2° | 120.0° |
O | C | OXT | 123.5° | 120.0° |
CA | C | OXT | 113.3° | 120.0° |
C | CA | H1 | 107.3° | 109.4° |
C | OXT | HXT | 109.5° | 117.0° |
H2 | N | H3 | 109.5° | 111.0° |
H5 | CB | H6 | 109.5° | 109.5° |
H7 | CE | H8 | 109.5° | 109.4° |
H11 | CH | H12 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CH | CZ | CE | H9 | 180.0° | 180.0° |
CH | CZ | CE | SD | 152.3° | 115.0° |
CH | CZ | CE | H7 | 32.2° | 5.0° |
CH | CZ | CE | H8 | 87.6° | 125.0° |
CZ | CH | H11 | H12 | 180.0° | 179.9° |
CZ | CE | SD | H7 | 120.1° | 120.0° |
CZ | CE | SD | H8 | 120.1° | 120.0° |
CZ | CE | SD | SG | 57.6° | 70.0° |
CZ | CE | H7 | H8 | 119.7° | 120.0° |
CE | CZ | CH | H11 | 180.0° | 0.0° |
CE | CZ | CH | H12 | 0.0° | 180.0° |
CE | SD | SG | CB | 89.7° | 85.0° |
SD | CE | H7 | H8 | 119.7° | 120.0° |
SD | CE | CZ | H9 | 27.7° | 65.0° |
SD | SG | CB | CA | 92.0° | 70.0° |
SD | SG | CB | H5 | 28.6° | 50.0° |
SD | SG | CB | H6 | 147.4° | 170.0° |
SG | SD | CE | H7 | 177.7° | 170.0° |
SG | SD | CE | H8 | 62.5° | 50.0° |
SG | CB | CA | H5 | 120.6° | 120.0° |
SG | CB | CA | H6 | 120.5° | 120.0° |
SG | CB | CA | N | 53.8° | 60.0° |
SG | CB | CA | C | 69.7° | 180.0° |
SG | CB | CA | H1 | 172.5° | 60.0° |
SG | CB | H5 | H6 | 118.2° | 120.0° |
CB | CA | N | C | 124.8° | 120.0° |
CB | CA | N | H1 | 118.3° | 120.0° |
CB | CA | C | O | 101.9° | 100.0° |
CB | CA | C | H1 | 118.0° | 120.0° |
CB | CA | C | OXT | 80.5° | 79.7° |
CB | CA | N | H2 | 180.0° | 176.1° |
CB | CA | N | H3 | 60.0° | 60.0° |
CA | CB | H5 | H6 | 118.3° | 120.1° |
N | CA | C | O | 22.5° | 20.0° |
N | CA | C | H1 | 117.6° | 120.0° |
N | CA | C | OXT | 155.1° | 160.3° |
CA | N | H2 | H3 | 120.0° | 123.9° |
N | CA | CB | H5 | 66.7° | 60.0° |
N | CA | CB | H6 | 174.4° | 180.0° |
O | C | CA | OXT | 177.6° | 179.7° |
O | C | CA | H1 | 140.1° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
C | CA | N | H2 | 55.2° | 63.9° |
C | CA | N | H3 | 64.8° | 60.0° |
C | CA | CB | H5 | 169.7° | 60.1° |
C | CA | CB | H6 | 50.9° | 60.0° |
CA | C | OXT | HXT | 177.6° | 179.7° |
OXT | C | CA | H1 | 37.5° | 40.3° |
H1 | CA | N | H2 | 61.8° | 56.0° |
H1 | CA | N | H3 | 178.2° | 180.0° |
H1 | CA | CB | H5 | 51.9° | 180.0° |
H1 | CA | CB | H6 | 66.9° | 60.0° |
H7 | CE | CZ | H9 | 147.8° | 174.9° |
H8 | CE | CZ | H9 | 92.4° | 55.0° |
H9 | CZ | CH | H11 | 0.0° | 180.0° |
H9 | CZ | CH | H12 | 180.0° | 0.1° |