Q75
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.46Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
C | O | doub | 1.21Å | 1.24Å | |
CB | CG | sing | 1.51Å | 1.53Å | |
CG | CD2 | doub | 1.34Å | 1.33Å | Aromatic |
CG | SD | sing | 1.76Å | 1.67Å | Aromatic |
CD2 | NE2 | sing | 1.32Å | 1.35Å | Aromatic |
CE1 | NE2 | doub | 1.29Å | 1.34Å | Aromatic |
CE1 | SD | sing | 1.71Å | 1.63Å | Aromatic |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
CE1 | HE1 | sing | 1.08Å | 1.08Å | |
C | OXT | sing | 1.34Å | 16.28Å | |
OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N | CA | C | 110.0° | 109.5° |
N | CA | CB | 111.5° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
N | CA | HA | 107.4° | 109.5° |
C | CA | CB | 114.3° | 109.4° |
CA | C | O | 117.9° | 120.0° |
C | CA | HA | 106.6° | 109.5° |
CA | C | OXT | 48.6° | 120.0° |
CA | CB | CG | 105.9° | 109.5° |
CB | CA | HA | 106.5° | 109.5° |
CA | CB | HB2 | 110.3° | 109.5° |
CA | CB | HB3 | 110.3° | 109.5° |
O | C | OXT | 103.2° | 120.0° |
CB | CG | CD2 | 126.2° | 126.0° |
CB | CG | SD | 125.2° | 126.0° |
CG | CB | HB2 | 110.3° | 109.5° |
CG | CB | HB3 | 110.3° | 109.4° |
CD2 | CG | SD | 108.6° | 107.9° |
CG | CD2 | NE2 | 111.9° | 114.5° |
CG | CD2 | HD2 | 124.1° | 122.8° |
CG | SD | CE1 | 95.9° | 90.3° |
CD2 | NE2 | CE1 | 117.1° | 117.2° |
NE2 | CD2 | HD2 | 124.1° | 122.8° |
NE2 | CE1 | SD | 106.6° | 110.1° |
NE2 | CE1 | HE1 | 126.7° | 124.9° |
SD | CE1 | HE1 | 126.7° | 124.9° |
H | N | H2 | 109.5° | 111.0° |
HB2 | CB | HB3 | 109.5° | 109.5° |
C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N | CA | C | CB | 126.4° | 120.0° |
N | CA | C | HA | 116.2° | 120.0° |
N | CA | CB | HA | 116.9° | 120.0° |
N | CA | C | O | 149.8° | 20.0° |
N | CA | CB | CG | 73.8° | 65.0° |
CA | N | H | H2 | 120.0° | 123.9° |
N | CA | CB | HB2 | 45.6° | 55.0° |
N | CA | CB | HB3 | 166.7° | 175.0° |
N | CA | C | OXT | 127.4° | 160.0° |
C | CA | CB | HA | 117.5° | 120.0° |
CA | C | O | OXT | 49.8° | 179.9° |
C | CA | CB | CG | 160.6° | 175.0° |
C | CA | N | H | 180.0° | 60.0° |
C | CA | N | H2 | 60.0° | 176.0° |
C | CA | CB | HB2 | 80.0° | 65.0° |
C | CA | CB | HB3 | 41.2° | 55.0° |
CA | C | OXT | HXT | 90.0° | 180.0° |
CB | CA | C | O | 83.9° | 100.0° |
CA | CB | CG | HB2 | 119.4° | 120.0° |
CA | CB | CG | HB3 | 119.4° | 120.0° |
CA | CB | CG | CD2 | 117.5° | 90.0° |
CA | CB | CG | SD | 60.7° | 90.3° |
CB | CA | N | H | 52.1° | 60.0° |
CB | CA | N | H2 | 172.1° | 64.0° |
CA | CB | HB2 | HB3 | 121.6° | 120.0° |
CB | CA | C | OXT | 1.0° | 80.0° |
O | C | CA | HA | 33.6° | 140.0° |
O | C | OXT | HXT | 90.0° | 0.0° |
CB | CG | CD2 | SD | 178.4° | 179.7° |
CB | CG | CD2 | NE2 | 178.7° | 179.9° |
CB | CG | SD | CE1 | 178.8° | 180.0° |
CG | CB | CA | HA | 43.1° | 55.0° |
CG | CB | HB2 | HB3 | 121.6° | 120.0° |
CB | CG | CD2 | HD2 | 1.3° | 0.1° |
CG | CD2 | NE2 | HD2 | 180.0° | 180.0° |
CG | CD2 | NE2 | CE1 | 0.0° | 0.0° |
CD2 | CG | SD | CE1 | 0.4° | 0.3° |
CD2 | CG | CB | HB2 | 123.1° | 30.0° |
CD2 | CG | CB | HB3 | 2.0° | 150.0° |
SD | CG | CD2 | NE2 | 0.3° | 0.2° |
CG | SD | CE1 | NE2 | 0.4° | 0.3° |
SD | CG | CB | HB2 | 58.7° | 149.7° |
SD | CG | CB | HB3 | 179.9° | 29.7° |
SD | CG | CD2 | HD2 | 179.7° | 179.8° |
CG | SD | CE1 | HE1 | 179.6° | 179.9° |
CD2 | NE2 | CE1 | SD | 0.3° | 0.3° |
CD2 | NE2 | CE1 | HE1 | 179.7° | 180.0° |
NE2 | CE1 | SD | HE1 | 180.0° | 179.8° |
CE1 | NE2 | CD2 | HD2 | 180.0° | 180.0° |
H | N | CA | HA | 64.3° | 180.0° |
H2 | N | CA | HA | 55.7° | 56.0° |
HA | CA | CB | HB2 | 162.5° | 175.0° |
HA | CA | CB | HB3 | 76.4° | 64.9° |
HA | CA | C | OXT | 116.4° | 39.9° |