MPJ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.46Å | 1.49Å | |
N | H | sing | 1.02Å | 1.02Å | |
N | HN2 | sing | 1.02Å | 1.02Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | P | sing | 1.81Å | 1.79Å | |
CA | HA | sing | 1.10Å | 1.11Å | |
CB | CG | sing | 1.53Å | 1.50Å | |
CB | HB1 | sing | 1.10Å | 1.12Å | |
CB | HB2 | sing | 1.10Å | 1.12Å | |
CG | SD | sing | 1.82Å | 1.80Å | |
CG | HG1 | sing | 1.09Å | 1.11Å | |
CG | HG2 | sing | 1.09Å | 1.11Å | |
SD | CE | sing | 1.81Å | 1.82Å | |
CE | HE1 | sing | 1.09Å | 1.11Å | |
CE | HE2 | sing | 1.09Å | 1.12Å | |
CE | HE3 | sing | 1.09Å | 1.11Å | |
O1 | P | doub | 1.51Å | 1.64Å | |
O2 | P | sing | 1.63Å | 1.63Å | |
O2 | HO2 | sing | 0.98Å | 0.95Å | |
P | HP | sing | 1.41Å | 1.42Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 113.5° | 110.4° |
CA | N | HN2 | 110.7° | 109.6° |
N | CA | CB | 113.5° | 113.5° |
N | CA | P | 114.7° | 100.3° |
N | CA | HA | 102.3° | 109.2° |
H | N | HN2 | 110.8° | 105.9° |
CB | CA | P | 108.5° | 116.2° |
CB | CA | HA | 109.4° | 108.9° |
CA | CB | CG | 113.4° | 114.6° |
CA | CB | HB1 | 110.7° | 108.6° |
CA | CB | HB2 | 110.7° | 107.9° |
P | CA | HA | 108.0° | 108.4° |
CA | P | O1 | 108.8° | 110.3° |
CA | P | O2 | 109.1° | 100.3° |
CA | P | HP | 110.8° | 112.6° |
CG | CB | HB1 | 110.8° | 109.7° |
CG | CB | HB2 | 110.8° | 109.0° |
CB | CG | SD | 106.9° | 110.5° |
CB | CG | HG1 | 113.2° | 111.0° |
CB | CG | HG2 | 113.2° | 111.4° |
HB1 | CB | HB2 | 99.5° | 106.8° |
SD | CG | HG1 | 113.2° | 107.7° |
SD | CG | HG2 | 113.2° | 107.8° |
CG | SD | CE | 100.0° | 98.3° |
HG1 | CG | HG2 | 97.3° | 108.3° |
SD | CE | HE1 | 100.0° | 109.9° |
SD | CE | HE2 | 115.8° | 109.8° |
SD | CE | HE3 | 115.8° | 109.9° |
HE1 | CE | HE2 | 115.8° | 109.0° |
HE1 | CE | HE3 | 115.9° | 109.1° |
HE2 | CE | HE3 | 94.6° | 109.1° |
O1 | P | O2 | 111.3° | 109.7° |
O1 | P | HP | 108.6° | 119.8° |
P | O2 | HO2 | 109.1° | 118.5° |
O2 | P | HP | 108.2° | 102.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | HN2 | 125.2° | 118.5° |
N | CA | CB | P | 128.8° | 115.5° |
N | CA | CB | HA | 113.6° | 121.8° |
N | CA | P | HA | 113.4° | 114.3° |
N | CA | CB | CG | 67.9° | 178.2° |
N | CA | CB | HB1 | 57.4° | 55.2° |
N | CA | CB | HB2 | 166.8° | 60.2° |
N | CA | P | O1 | 47.2° | 79.4° |
N | CA | P | O2 | 74.4° | 165.0° |
N | CA | P | HP | 166.5° | 57.3° |
H | N | CA | CB | 180.0° | 61.1° |
H | N | CA | P | 54.4° | 63.6° |
H | N | CA | HA | 62.3° | 177.2° |
HN2 | N | CA | CB | 54.8° | 55.1° |
HN2 | N | CA | P | 179.7° | 179.8° |
HN2 | N | CA | HA | 63.0° | 66.6° |
CB | CA | P | HA | 118.5° | 123.0° |
CA | CB | CG | HB1 | 125.3° | 122.4° |
CA | CB | CG | HB2 | 125.3° | 121.0° |
CA | CB | HB1 | HB2 | 116.6° | 116.1° |
CA | CB | CG | SD | 177.4° | 179.5° |
CA | CB | CG | HG1 | 52.1° | 60.0° |
CA | CB | CG | HG2 | 57.4° | 60.8° |
CB | CA | P | O1 | 175.4° | 43.3° |
CB | CA | P | O2 | 53.7° | 72.3° |
CB | CA | P | HP | 65.4° | 180.0° |
P | CA | CB | CG | 163.4° | 62.7° |
P | CA | CB | HB1 | 71.3° | 60.3° |
P | CA | CB | HB2 | 38.0° | 175.7° |
CA | P | O1 | O2 | 120.3° | 109.5° |
CA | P | O1 | HP | 120.6° | 133.2° |
CA | P | O2 | HP | 120.6° | 115.9° |
CA | P | O2 | HO2 | 180.0° | 116.6° |
HA | CA | CB | CG | 45.7° | 60.0° |
HA | CA | CB | HB1 | 171.0° | 177.0° |
HA | CA | CB | HB2 | 79.6° | 61.7° |
HA | CA | P | O1 | 66.2° | 166.3° |
HA | CA | P | O2 | 172.2° | 50.7° |
HA | CA | P | HP | 53.1° | 57.0° |
CG | CB | HB1 | HB2 | 116.7° | 118.0° |
CB | CG | SD | HG1 | 125.3° | 121.4° |
CB | CG | SD | HG2 | 125.2° | 121.9° |
CB | CG | HG1 | HG2 | 119.1° | 122.6° |
CB | CG | SD | CE | 158.0° | 178.6° |
HB1 | CB | CG | SD | 57.4° | 58.1° |
HB1 | CB | CG | HG1 | 177.4° | 177.5° |
HB1 | CB | CG | HG2 | 67.9° | 61.7° |
HB2 | CB | CG | SD | 52.1° | 58.5° |
HB2 | CB | CG | HG1 | 73.2° | 61.0° |
HB2 | CB | CG | HG2 | 177.4° | 178.2° |
SD | CG | HG1 | HG2 | 119.1° | 116.3° |
CG | SD | CE | HE1 | 180.0° | 55.9° |
CG | SD | CE | HE2 | 54.7° | 64.1° |
CG | SD | CE | HE3 | 54.7° | 175.9° |
HG1 | CG | SD | CE | 32.7° | 60.0° |
HG2 | CG | SD | CE | 76.8° | 56.7° |
SD | CE | HE1 | HE2 | 125.2° | 120.4° |
SD | CE | HE1 | HE3 | 125.3° | 120.5° |
SD | CE | HE2 | HE3 | 121.6° | 120.5° |
HE1 | CE | HE2 | HE3 | 121.7° | 119.1° |
O1 | P | O2 | HP | 119.3° | 128.0° |
O1 | P | O2 | HO2 | 59.9° | 127.4° |
HO2 | O2 | P | HP | 59.4° | 0.6° |