AMQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.50Å | |
N | H | sing | 1.01Å | 1.02Å | |
N | HN2 | sing | 1.01Å | 1.02Å | |
CA | C | sing | 1.51Å | 1.55Å | |
CA | CB | sing | 1.53Å | 1.55Å | |
CA | HA | sing | 1.09Å | 1.12Å | |
C | OT1 | doub | 1.21Å | 1.25Å | |
C | OT2 | sing | 1.34Å | 1.25Å | |
OT2 | HXT | sing | 0.97Å | 0.95Å | |
CB | CG | sing | 1.51Å | 1.52Å | |
CB | HB1 | sing | 1.09Å | 1.11Å | |
CB | HB2 | sing | 1.09Å | 1.12Å | |
CG | CD1 | sing | 1.42Å | 1.43Å | Aromatic |
CG | CD2 | doub | 1.35Å | 1.36Å | Aromatic |
CD1 | OE1 | sing | 1.36Å | 1.33Å | |
CD1 | NE1 | doub | 1.31Å | 1.31Å | Aromatic |
CD2 | CE2 | sing | 1.51Å | 1.50Å | |
CD2 | OE2 | sing | 1.34Å | 1.39Å | Aromatic |
CE2 | HE21 | sing | 1.09Å | 1.11Å | |
CE2 | HE22 | sing | 1.09Å | 1.11Å | |
CE2 | HE23 | sing | 1.09Å | 1.11Å | |
OE1 | HE1 | sing | 0.97Å | 0.95Å | |
NE1 | OE2 | sing | 1.21Å | 1.45Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 108.2° | 106.7° |
CA | N | HN2 | 112.6° | 106.8° |
N | CA | C | 108.2° | 109.5° |
N | CA | CB | 109.9° | 109.4° |
N | CA | HA | 111.0° | 109.4° |
H | N | HN2 | 112.7° | 106.7° |
C | CA | CB | 112.1° | 109.5° |
C | CA | HA | 108.7° | 109.5° |
CA | C | OT1 | 118.0° | 120.0° |
CA | C | OT2 | 116.6° | 120.0° |
CB | CA | HA | 107.0° | 109.5° |
CA | CB | CG | 113.8° | 109.5° |
CA | CB | HB1 | 110.7° | 109.4° |
CA | CB | HB2 | 110.7° | 109.5° |
OT1 | C | OT2 | 125.3° | 120.0° |
C | OT2 | HXT | 116.6° | 120.0° |
CG | CB | HB1 | 110.6° | 109.5° |
CG | CB | HB2 | 110.6° | 109.5° |
CB | CG | CD1 | 128.0° | 128.0° |
CB | CG | CD2 | 131.2° | 128.0° |
HB1 | CB | HB2 | 99.7° | 109.4° |
CD1 | CG | CD2 | 100.8° | 103.9° |
CG | CD1 | OE1 | 117.0° | 126.9° |
CG | CD1 | NE1 | 118.4° | 106.3° |
CG | CD2 | CE2 | 134.4° | 126.7° |
CG | CD2 | OE2 | 110.7° | 106.6° |
OE1 | CD1 | NE1 | 124.5° | 126.8° |
CD1 | OE1 | HE1 | 117.0° | 106.8° |
CD1 | NE1 | OE2 | 100.5° | 111.5° |
CE2 | CD2 | OE2 | 114.7° | 126.7° |
CD2 | CE2 | HE21 | 134.4° | 109.5° |
CD2 | CE2 | HE22 | 103.6° | 109.5° |
CD2 | CE2 | HE23 | 103.6° | 109.5° |
CD2 | OE2 | NE1 | 109.6° | 111.7° |
HE21 | CE2 | HE22 | 103.7° | 109.4° |
HE21 | CE2 | HE23 | 103.7° | 109.5° |
HE22 | CE2 | HE23 | 105.0° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | HN2 | 125.2° | 113.8° |
N | CA | C | CB | 121.3° | 120.0° |
N | CA | C | HA | 120.6° | 120.0° |
N | CA | CB | HA | 120.5° | 119.9° |
N | CA | C | OT1 | 174.8° | 30.0° |
N | CA | C | OT2 | 8.0° | 150.0° |
N | CA | CB | CG | 63.0° | 60.0° |
N | CA | CB | HB1 | 62.3° | 180.0° |
N | CA | CB | HB2 | 171.8° | 60.1° |
H | N | CA | C | 180.0° | 60.0° |
H | N | CA | CB | 57.4° | 60.0° |
H | N | CA | HA | 60.7° | 180.0° |
HN2 | N | CA | C | 54.7° | 173.8° |
HN2 | N | CA | CB | 67.9° | 53.8° |
HN2 | N | CA | HA | 174.0° | 66.2° |
C | CA | CB | HA | 119.1° | 120.1° |
CA | C | OT1 | OT2 | 177.0° | 179.9° |
CA | C | OT2 | HXT | 179.9° | 180.0° |
C | CA | CB | CG | 176.7° | 180.0° |
C | CA | CB | HB1 | 58.1° | 60.0° |
C | CA | CB | HB2 | 51.4° | 59.9° |
CB | CA | C | OT1 | 53.4° | 90.0° |
CB | CA | C | OT2 | 129.3° | 90.0° |
CA | CB | CG | HB1 | 125.3° | 120.0° |
CA | CB | CG | HB2 | 125.3° | 120.0° |
CA | CB | HB1 | HB2 | 116.5° | 120.0° |
CA | CB | CG | CD1 | 87.4° | 90.0° |
CA | CB | CG | CD2 | 88.8° | 90.5° |
HA | CA | C | OT1 | 64.6° | 149.9° |
HA | CA | C | OT2 | 112.6° | 30.0° |
HA | CA | CB | CG | 57.6° | 60.0° |
HA | CA | CB | HB1 | 177.2° | 60.0° |
HA | CA | CB | HB2 | 67.7° | 180.0° |
OT1 | C | OT2 | HXT | 2.9° | 0.1° |
CG | CB | HB1 | HB2 | 116.4° | 120.0° |
CB | CG | CD1 | CD2 | 177.0° | 179.6° |
CB | CG | CD1 | OE1 | 0.5° | 0.2° |
CB | CG | CD1 | NE1 | 177.7° | 180.0° |
CB | CG | CD2 | CE2 | 3.0° | 0.2° |
CB | CG | CD2 | OE2 | 177.5° | 180.0° |
HB1 | CB | CG | CD1 | 147.4° | 150.1° |
HB1 | CB | CG | CD2 | 36.5° | 29.5° |
HB2 | CB | CG | CD1 | 37.9° | 30.1° |
HB2 | CB | CG | CD2 | 145.9° | 149.5° |
CG | CD1 | OE1 | NE1 | 178.2° | 179.8° |
CD1 | CG | CD2 | CE2 | 174.0° | 179.9° |
CD1 | CG | CD2 | OE2 | 0.6° | 0.4° |
CG | CD1 | OE1 | HE1 | 180.0° | 89.7° |
CG | CD1 | NE1 | OE2 | 0.4° | 0.2° |
CD2 | CG | CD1 | OE1 | 177.6° | 179.8° |
CD2 | CG | CD1 | NE1 | 0.7° | 0.4° |
CG | CD2 | CE2 | OE2 | 174.4° | 179.7° |
CG | CD2 | CE2 | HE21 | 180.0° | 179.7° |
CG | CD2 | CE2 | HE22 | 54.7° | 60.3° |
CG | CD2 | CE2 | HE23 | 54.7° | 59.7° |
CG | CD2 | OE2 | NE1 | 0.4° | 0.3° |
OE1 | CD1 | NE1 | OE2 | 177.7° | 180.0° |
CD1 | NE1 | OE2 | CD2 | 0.0° | 0.0° |
NE1 | CD1 | OE1 | HE1 | 1.9° | 90.1° |
CD2 | CE2 | HE21 | HE22 | 125.2° | 120.1° |
CD2 | CE2 | HE21 | HE23 | 125.2° | 120.0° |
CD2 | CE2 | HE22 | HE23 | 108.4° | 120.0° |
CE2 | CD2 | OE2 | NE1 | 175.3° | 180.0° |
OE2 | CD2 | CE2 | HE21 | 5.6° | 0.0° |
OE2 | CD2 | CE2 | HE22 | 119.7° | 120.0° |
OE2 | CD2 | CE2 | HE23 | 130.9° | 120.0° |
HE21 | CE2 | HE22 | HE23 | 108.5° | 120.0° |