MME
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.45Å | |
N | CM | sing | 1.47Å | 1.35Å | |
N | H | sing | 1.01Å | 1.02Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.12Å | |
C | O | doub | 1.21Å | 1.25Å | |
C | OXT | sing | 1.34Å | 1.32Å | |
CB | CG | sing | 1.53Å | 1.52Å | |
CB | HB2 | sing | 1.09Å | 1.11Å | |
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 | 1.80Å | |
CE | HE1 | sing | 1.09Å | 1.12Å | |
CE | HE2 | sing | 1.09Å | 1.11Å | |
CE | HE3 | sing | 1.09Å | 1.11Å | |
OXT | HXT | sing | 0.97Å | 0.95Å | |
CM | HM1 | sing | 1.09Å | 1.11Å | |
CM | HM2 | sing | 1.09Å | 1.11Å | |
CM | HM3 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | CM | 117.1° | 106.8° |
CA | N | H | 109.4° | 106.7° |
N | CA | C | 110.7° | 109.5° |
N | CA | CB | 111.6° | 109.5° |
N | CA | HA | 106.7° | 109.4° |
CM | N | H | 109.5° | 106.7° |
N | CM | HM1 | 117.0° | 109.6° |
N | CM | HM2 | 109.4° | 109.4° |
N | CM | HM3 | 109.4° | 109.5° |
C | CA | CB | 107.7° | 109.5° |
C | CA | HA | 110.6° | 109.5° |
CA | C | O | 119.6° | 120.0° |
CA | C | OXT | 117.6° | 120.0° |
CB | CA | HA | 109.6° | 109.4° |
CA | CB | CG | 114.9° | 109.5° |
CA | CB | HB2 | 110.3° | 109.4° |
CA | CB | HB3 | 110.3° | 109.5° |
O | C | OXT | 122.7° | 120.0° |
C | OXT | HXT | 117.7° | 120.0° |
CG | CB | HB2 | 110.2° | 109.5° |
CG | CB | HB3 | 110.2° | 109.5° |
CB | CG | SD | 110.1° | 109.5° |
CB | CG | HG2 | 112.0° | 109.5° |
CB | CG | HG3 | 112.0° | 109.5° |
HB2 | CB | HB3 | 100.0° | 109.5° |
SD | CG | HG2 | 111.9° | 109.5° |
SD | CG | HG3 | 112.0° | 109.5° |
CG | SD | CE | 97.1° | 100.1° |
HG2 | CG | HG3 | 98.4° | 109.4° |
SD | CE | HE1 | 97.1° | 109.5° |
SD | CE | HE2 | 117.0° | 109.5° |
SD | CE | HE3 | 117.0° | 109.5° |
HE1 | CE | HE2 | 117.0° | 109.5° |
HE1 | CE | HE3 | 117.0° | 109.5° |
HE2 | CE | HE3 | 93.4° | 109.4° |
HM1 | CM | HM2 | 109.5° | 109.5° |
HM1 | CM | HM3 | 109.5° | 109.4° |
HM2 | CM | HM3 | 100.7° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | CM | H | 125.2° | 113.8° |
N | CA | C | CB | 122.3° | 120.1° |
N | CA | C | HA | 118.0° | 120.0° |
N | CA | CB | HA | 117.9° | 119.9° |
N | CA | C | O | 53.1° | 150.0° |
N | CA | C | OXT | 129.3° | 30.0° |
N | CA | CB | CG | 79.0° | 59.9° |
N | CA | CB | HB2 | 46.3° | 60.1° |
N | CA | CB | HB3 | 155.8° | 180.0° |
CA | N | CM | HM1 | 180.0° | 180.0° |
CA | N | CM | HM2 | 54.7° | 60.0° |
CA | N | CM | HM3 | 54.7° | 59.9° |
CM | N | CA | C | 68.6° | 89.9° |
CM | N | CA | CB | 171.4° | 150.0° |
CM | N | CA | HA | 51.7° | 30.1° |
N | CM | HM1 | HM2 | 125.2° | 120.0° |
N | CM | HM1 | HM3 | 125.2° | 120.0° |
N | CM | HM2 | HM3 | 115.2° | 120.0° |
H | N | CA | C | 166.1° | 156.3° |
H | N | CA | CB | 46.1° | 36.2° |
H | N | CA | HA | 73.6° | 83.7° |
H | N | CM | HM1 | 54.8° | 66.2° |
H | N | CM | HM2 | 70.5° | 53.8° |
H | N | CM | HM3 | 179.9° | 173.8° |
C | CA | CB | HA | 120.4° | 120.0° |
CA | C | O | OXT | 177.4° | 180.0° |
C | CA | CB | CG | 159.3° | 180.0° |
C | CA | CB | HB2 | 75.4° | 60.0° |
C | CA | CB | HB3 | 34.1° | 60.0° |
CA | C | OXT | HXT | 180.0° | 179.9° |
CB | CA | C | O | 69.2° | 90.0° |
CB | CA | C | OXT | 108.4° | 90.1° |
CA | CB | CG | HB2 | 125.3° | 120.0° |
CA | CB | CG | HB3 | 125.3° | 120.0° |
CA | CB | HB2 | HB3 | 116.1° | 120.0° |
CA | CB | CG | SD | 174.7° | 180.0° |
CA | CB | CG | HG2 | 49.5° | 60.0° |
CA | CB | CG | HG3 | 60.0° | 59.9° |
HA | CA | C | O | 171.1° | 30.0° |
HA | CA | C | OXT | 11.4° | 150.0° |
HA | CA | CB | CG | 39.0° | 60.0° |
HA | CA | CB | HB2 | 164.2° | 180.0° |
HA | CA | CB | HB3 | 86.3° | 60.0° |
O | C | OXT | HXT | 2.5° | 0.1° |
CG | CB | HB2 | HB3 | 116.0° | 120.0° |
CB | CG | SD | HG2 | 125.2° | 120.1° |
CB | CG | SD | HG3 | 125.3° | 120.0° |
CB | CG | HG2 | HG3 | 117.9° | 119.9° |
CB | CG | SD | CE | 91.3° | 180.0° |
HB2 | CB | CG | SD | 60.0° | 60.0° |
HB2 | CB | CG | HG2 | 174.8° | 179.9° |
HB2 | CB | CG | HG3 | 65.3° | 60.0° |
HB3 | CB | CG | SD | 49.4° | 60.0° |
HB3 | CB | CG | HG2 | 75.8° | 60.1° |
HB3 | CB | CG | HG3 | 174.7° | 180.0° |
SD | CG | HG2 | HG3 | 117.9° | 120.0° |
CG | SD | CE | HE1 | 180.0° | 180.0° |
CG | SD | CE | HE2 | 54.7° | 60.0° |
CG | SD | CE | HE3 | 54.8° | 60.0° |
HG2 | CG | SD | CE | 143.4° | 60.0° |
HG3 | CG | SD | CE | 34.0° | 59.9° |
SD | CE | HE1 | HE2 | 125.2° | 120.0° |
SD | CE | HE1 | HE3 | 125.2° | 120.1° |
SD | CE | HE2 | HE3 | 122.7° | 120.0° |
HE1 | CE | HE2 | HE3 | 122.7° | 119.9° |
HM1 | CM | HM2 | HM3 | 115.3° | 120.0° |