MF3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.48Å | |
N | H | sing | 1.01Å | 1.02Å | |
N | H2 | sing | 1.01Å | 1.02Å | |
CA | C | sing | 1.51Å | 1.51Å | |
CA | CB | sing | 1.53Å | 1.55Å | |
CA | HA | sing | 1.09Å | 1.12Å | |
C | O | doub | 1.21Å | 1.23Å | |
C | OXT | sing | 1.34Å | 1.25Å | |
CB | CG | sing | 1.53Å | 1.51Å | |
CB | HB2 | sing | 1.09Å | 1.12Å | |
CB | HB3 | sing | 1.09Å | 1.12Å | |
CG | SD | sing | 1.81Å | 1.82Å | |
CG | HG2 | sing | 1.09Å | 1.11Å | |
CG | HG3 | sing | 1.09Å | 1.11Å | |
SD | CE | sing | 1.81Å | 1.77Å | |
CE | FZ1 | sing | 1.40Å | 1.36Å | |
CE | FZ2 | sing | 1.40Å | 1.36Å | |
CE | FZ3 | sing | 1.40Å | 1.36Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 113.2° | 106.7° |
CA | N | H2 | 110.8° | 106.7° |
N | CA | C | 113.2° | 109.5° |
N | CA | CB | 116.5° | 109.5° |
N | CA | HA | 100.6° | 109.4° |
H | N | H2 | 110.9° | 106.7° |
C | CA | CB | 106.4° | 109.5° |
C | CA | HA | 111.8° | 109.5° |
CA | C | O | 115.0° | 120.0° |
CA | C | OXT | 117.8° | 120.0° |
CB | CA | HA | 108.2° | 109.5° |
CA | CB | CG | 115.3° | 109.5° |
CA | CB | HB2 | 110.1° | 109.5° |
CA | CB | HB3 | 110.1° | 109.4° |
O | C | OXT | 126.9° | 119.9° |
C | OXT | HXT | 117.8° | 120.1° |
CG | CB | HB2 | 110.1° | 109.5° |
CG | CB | HB3 | 110.1° | 109.5° |
CB | CG | SD | 110.6° | 109.5° |
CB | CG | HG2 | 111.7° | 109.5° |
CB | CG | HG3 | 111.8° | 109.4° |
HB2 | CB | HB3 | 100.1° | 109.5° |
SD | CG | HG2 | 111.8° | 109.5° |
SD | CG | HG3 | 111.8° | 109.5° |
CG | SD | CE | 100.7° | 100.1° |
HG2 | CG | HG3 | 98.7° | 109.4° |
SD | CE | FZ1 | 107.2° | 109.5° |
SD | CE | FZ2 | 106.7° | 109.4° |
SD | CE | FZ3 | 105.1° | 109.5° |
FZ1 | CE | FZ2 | 96.0° | 109.5° |
FZ1 | CE | FZ3 | 118.9° | 109.5° |
FZ2 | CE | FZ3 | 121.8° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | H2 | 125.3° | 113.7° |
N | CA | C | CB | 129.2° | 120.1° |
N | CA | C | HA | 112.8° | 119.9° |
N | CA | CB | HA | 112.4° | 120.0° |
N | CA | C | O | 51.7° | 30.1° |
N | CA | C | OXT | 133.1° | 150.0° |
N | CA | CB | CG | 48.0° | 60.0° |
N | CA | CB | HB2 | 77.3° | 60.0° |
N | CA | CB | HB3 | 173.2° | 180.0° |
H | N | CA | C | 180.0° | 173.8° |
H | N | CA | CB | 56.2° | 53.7° |
H | N | CA | HA | 60.5° | 66.2° |
H2 | N | CA | C | 54.7° | 60.1° |
H2 | N | CA | CB | 69.1° | 60.0° |
H2 | N | CA | HA | 174.2° | 180.0° |
C | CA | CB | HA | 120.3° | 120.0° |
CA | C | O | OXT | 174.7° | 180.0° |
C | CA | CB | CG | 175.2° | 180.0° |
C | CA | CB | HB2 | 49.9° | 60.0° |
C | CA | CB | HB3 | 59.5° | 60.0° |
CA | C | OXT | HXT | 180.0° | 180.0° |
CB | CA | C | O | 179.1° | 90.0° |
CB | CA | C | OXT | 3.9° | 90.0° |
CA | CB | CG | HB2 | 125.3° | 120.0° |
CA | CB | CG | HB3 | 125.3° | 120.0° |
CA | CB | HB2 | HB3 | 115.9° | 119.9° |
CA | CB | CG | SD | 164.2° | 180.0° |
CA | CB | CG | HG2 | 70.5° | 59.9° |
CA | CB | CG | HG3 | 39.0° | 59.9° |
HA | CA | C | O | 61.1° | 150.0° |
HA | CA | C | OXT | 114.1° | 30.0° |
HA | CA | CB | CG | 64.4° | 60.0° |
HA | CA | CB | HB2 | 170.3° | 180.0° |
HA | CA | CB | HB3 | 60.9° | 60.1° |
O | C | OXT | HXT | 5.4° | 0.0° |
CG | CB | HB2 | HB3 | 115.9° | 120.0° |
CB | CG | SD | HG2 | 125.2° | 120.1° |
CB | CG | SD | HG3 | 125.2° | 120.0° |
CB | CG | HG2 | HG3 | 117.7° | 119.9° |
CB | CG | SD | CE | 131.7° | 180.0° |
HB2 | CB | CG | SD | 39.0° | 60.0° |
HB2 | CB | CG | HG2 | 164.2° | 179.9° |
HB2 | CB | CG | HG3 | 86.3° | 60.1° |
HB3 | CB | CG | SD | 70.5° | 60.0° |
HB3 | CB | CG | HG2 | 54.7° | 60.1° |
HB3 | CB | CG | HG3 | 164.2° | 179.9° |
SD | CG | HG2 | HG3 | 117.7° | 120.0° |
CG | SD | CE | FZ1 | 62.3° | 180.0° |
CG | SD | CE | FZ2 | 164.2° | 60.0° |
CG | SD | CE | FZ3 | 65.1° | 59.9° |
HG2 | CG | SD | CE | 6.5° | 59.9° |
HG3 | CG | SD | CE | 103.0° | 60.0° |
SD | CE | FZ1 | FZ2 | 109.6° | 120.0° |
SD | CE | FZ1 | FZ3 | 118.8° | 120.0° |
SD | CE | FZ2 | FZ3 | 120.5° | 119.9° |
FZ1 | CE | FZ2 | FZ3 | 129.6° | 120.0° |