MEQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.44Å | 1.51Å | |
N | H | sing | 1.01Å | 1.02Å | |
N | H2 | sing | 1.01Å | 1.02Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | C | sing | 1.52Å | 1.50Å | |
CA | HA | sing | 1.09Å | 1.11Å | |
CB | CG | sing | 1.53Å | 1.53Å | |
CB | HB2 | sing | 1.10Å | 1.11Å | |
CB | HB3 | sing | 1.10Å | 1.11Å | |
CG | CD | sing | 1.52Å | 1.53Å | |
CG | HG2 | sing | 1.10Å | 1.11Å | |
CG | HG3 | sing | 1.10Å | 1.12Å | |
CD | OE1 | doub | 1.23Å | 1.29Å | |
CD | NE2 | sing | 1.39Å | 1.40Å | |
NE2 | CE | sing | 1.44Å | 1.48Å | |
NE2 | HE21 | sing | 1.02Å | 1.02Å | |
CE | HE1 | sing | 1.09Å | 1.12Å | |
CE | HE2 | sing | 1.09Å | 1.11Å | |
CE | HE3 | sing | 1.09Å | 1.11Å | |
C | O | doub | 1.22Å | 1.24Å | |
C | OXT | sing | 1.36Å | 33.01Å | |
OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 118.4° | 119.0° |
CA | N | H2 | 109.0° | 119.0° |
N | CA | CB | 118.4° | 112.5° |
N | CA | C | 106.5° | 106.5° |
N | CA | HA | 104.0° | 106.0° |
H | N | H2 | 109.0° | 120.5° |
CB | CA | C | 104.3° | 110.2° |
CB | CA | HA | 106.2° | 112.2° |
CA | CB | CG | 116.3° | 113.4° |
CA | CB | HB2 | 109.7° | 109.3° |
CA | CB | HB3 | 109.7° | 109.8° |
C | CA | HA | 118.2° | 109.1° |
CA | C | O | 115.8° | 125.2° |
CA | C | OXT | 81.8° | 111.9° |
CG | CB | HB2 | 109.8° | 108.4° |
CG | CB | HB3 | 109.8° | 109.6° |
CB | CG | CD | 105.5° | 113.6° |
CB | CG | HG2 | 113.7° | 110.7° |
CB | CG | HG3 | 113.7° | 108.7° |
HB2 | CB | HB3 | 100.5° | 106.2° |
CD | CG | HG2 | 113.7° | 109.4° |
CD | CG | HG3 | 113.7° | 106.9° |
CG | CD | OE1 | 119.9° | 123.3° |
CG | CD | NE2 | 115.6° | 111.6° |
HG2 | CG | HG3 | 96.7° | 107.4° |
OE1 | CD | NE2 | 124.4° | 125.1° |
CD | NE2 | CE | 104.0° | 122.6° |
CD | NE2 | HE21 | 125.9° | 118.6° |
CE | NE2 | HE21 | 130.2° | 118.7° |
NE2 | CE | HE1 | 103.9° | 110.0° |
NE2 | CE | HE2 | 114.3° | 110.2° |
NE2 | CE | HE3 | 114.2° | 110.3° |
HE1 | CE | HE2 | 114.3° | 108.8° |
HE1 | CE | HE3 | 114.4° | 108.8° |
HE2 | CE | HE3 | 96.2° | 108.7° |
O | C | OXT | 129.2° | 122.9° |
C | OXT | HXT | 81.8° | 115.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | H2 | 125.3° | 166.3° |
N | CA | CB | C | 118.0° | 118.7° |
N | CA | CB | HA | 116.4° | 119.4° |
N | CA | C | HA | 116.5° | 114.1° |
N | CA | CB | CG | 63.8° | 62.3° |
N | CA | CB | HB2 | 61.5° | 58.7° |
N | CA | CB | HB3 | 171.0° | 174.7° |
N | CA | C | O | 177.3° | 36.0° |
N | CA | C | OXT | 53.0° | 146.4° |
H | N | CA | CB | 180.0° | 105.1° |
H | N | CA | C | 63.1° | 134.0° |
H | N | CA | HA | 62.4° | 17.8° |
H2 | N | CA | CB | 54.7° | 61.3° |
H2 | N | CA | C | 171.6° | 59.5° |
H2 | N | CA | HA | 62.8° | 175.7° |
CB | CA | C | HA | 117.6° | 123.7° |
CA | CB | CG | HB2 | 125.2° | 121.5° |
CA | CB | CG | HB3 | 125.2° | 123.1° |
CA | CB | HB2 | HB3 | 115.5° | 118.3° |
CA | CB | CG | CD | 134.2° | 178.5° |
CA | CB | CG | HG2 | 100.5° | 55.0° |
CA | CB | CG | HG3 | 8.9° | 62.7° |
CB | CA | C | O | 51.4° | 86.3° |
CB | CA | C | OXT | 178.9° | 91.3° |
C | CA | CB | CG | 178.2° | 179.0° |
C | CA | CB | HB2 | 56.5° | 60.0° |
C | CA | CB | HB3 | 52.9° | 56.1° |
CA | C | O | OXT | 100.9° | 177.4° |
CA | C | OXT | HXT | 180.0° | 177.7° |
HA | CA | CB | CG | 52.6° | 57.1° |
HA | CA | CB | HB2 | 177.9° | 178.1° |
HA | CA | CB | HB3 | 72.7° | 65.8° |
HA | CA | C | O | 66.3° | 150.0° |
HA | CA | C | OXT | 63.5° | 32.3° |
CG | CB | HB2 | HB3 | 115.6° | 117.7° |
CB | CG | CD | HG2 | 125.3° | 124.2° |
CB | CG | CD | HG3 | 125.3° | 119.9° |
CB | CG | HG2 | HG3 | 119.6° | 118.5° |
CB | CG | CD | OE1 | 21.9° | 1.2° |
CB | CG | CD | NE2 | 155.5° | 180.0° |
HB2 | CB | CG | CD | 9.0° | 60.0° |
HB2 | CB | CG | HG2 | 134.3° | 176.5° |
HB2 | CB | CG | HG3 | 116.3° | 58.8° |
HB3 | CB | CG | CD | 100.6° | 55.4° |
HB3 | CB | CG | HG2 | 24.7° | 68.1° |
HB3 | CB | CG | HG3 | 134.2° | 174.2° |
CD | CG | HG2 | HG3 | 119.6° | 115.6° |
CG | CD | OE1 | NE2 | 177.1° | 178.6° |
CG | CD | NE2 | CE | 94.8° | 178.8° |
CG | CD | NE2 | HE21 | 85.1° | 1.3° |
HG2 | CG | CD | OE1 | 147.2° | 125.4° |
HG2 | CG | CD | NE2 | 30.2° | 55.8° |
HG3 | CG | CD | OE1 | 103.4° | 118.7° |
HG3 | CG | CD | NE2 | 79.3° | 60.1° |
OE1 | CD | NE2 | CE | 82.4° | 0.0° |
OE1 | CD | NE2 | HE21 | 97.7° | 179.9° |
CD | NE2 | CE | HE21 | 180.0° | 179.9° |
CD | NE2 | CE | HE1 | 180.0° | 162.5° |
CD | NE2 | CE | HE2 | 54.7° | 77.5° |
CD | NE2 | CE | HE3 | 54.7° | 42.6° |
NE2 | CE | HE1 | HE2 | 125.2° | 120.9° |
NE2 | CE | HE1 | HE3 | 125.2° | 120.9° |
NE2 | CE | HE2 | HE3 | 120.1° | 121.0° |
HE21 | NE2 | CE | HE1 | 0.0° | 17.5° |
HE21 | NE2 | CE | HE2 | 125.3° | 102.5° |
HE21 | NE2 | CE | HE3 | 125.2° | 137.5° |
HE1 | CE | HE2 | HE3 | 120.3° | 118.3° |
O | C | OXT | HXT | 63.3° | 0.0° |