FPR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
C | C11 | sing | 1.51Å | 1.53Å | |
C | CA | sing | 1.51Å | 1.48Å | |
O | C | doub | 1.21Å | 1.40Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H11A | sing | 1.09Å | 1.10Å | |
OD2 | HD2 | sing | 0.97Å | 0.95Å | |
C21 | C11 | sing | 1.53Å | 1.50Å | |
C21 | C31 | sing | 1.53Å | 1.52Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C21 | H21A | sing | 1.09Å | 1.10Å | |
OD1 | CG | doub | 1.21Å | 1.24Å | |
C31 | H31 | sing | 1.09Å | 1.10Å | |
C31 | H31A | sing | 1.09Å | 1.10Å | |
C41 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C41 | C31 | sing | 1.51Å | 1.51Å | |
CA | N | sing | 1.47Å | 1.45Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | CA | sing | 1.53Å | 1.53Å | |
CB | CG | sing | 1.51Å | 1.51Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CG | OD2 | sing | 1.34Å | 1.24Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
H | N | H2 | 109.5° | 111.0° |
H | N | CA | 109.5° | 111.0° |
H2 | N | CA | 109.5° | 111.0° |
C11 | C | CA | 106.4° | 120.0° |
C11 | C | O | 109.7° | 120.0° |
C | C11 | H11 | 109.2° | 109.5° |
C | C11 | H11A | 109.3° | 109.4° |
C | C11 | C21 | 110.1° | 109.5° |
CA | C | O | 106.2° | 120.0° |
C | CA | N | 110.5° | 109.5° |
C | CA | HA | 110.7° | 109.5° |
C | CA | CB | 108.5° | 109.5° |
H5 | C5 | C6 | 119.6° | 120.0° |
H5 | C5 | C41 | 119.6° | 120.0° |
C5 | C6 | H6 | 120.1° | 120.0° |
C5 | C6 | C7 | 119.9° | 120.0° |
C6 | C5 | C41 | 120.9° | 120.0° |
H6 | C6 | C7 | 120.1° | 120.0° |
C6 | C7 | H7 | 120.1° | 120.0° |
C6 | C7 | C8 | 119.7° | 120.0° |
H7 | C7 | C8 | 120.1° | 120.0° |
C7 | C8 | C9 | 119.9° | 120.0° |
C7 | C8 | H8 | 120.1° | 120.0° |
C9 | C8 | H8 | 120.0° | 120.0° |
C8 | C9 | C41 | 120.9° | 120.0° |
C8 | C9 | H9 | 119.5° | 120.0° |
C41 | C9 | H9 | 119.5° | 120.0° |
C9 | C41 | C5 | 118.7° | 120.0° |
C9 | C41 | C31 | 120.9° | 120.0° |
H11 | C11 | H11A | 109.7° | 109.5° |
H11 | C11 | C21 | 109.3° | 109.5° |
H11A | C11 | C21 | 109.2° | 109.5° |
HD2 | OD2 | CG | 109.5° | 117.0° |
C11 | C21 | C31 | 111.4° | 109.5° |
C11 | C21 | H21 | 108.8° | 109.5° |
C11 | C21 | H21A | 108.8° | 109.4° |
C31 | C21 | H21 | 108.8° | 109.5° |
C31 | C21 | H21A | 108.8° | 109.5° |
C21 | C31 | H31 | 107.8° | 109.5° |
C21 | C31 | H31A | 107.8° | 109.4° |
C21 | C31 | C41 | 114.5° | 109.4° |
H21 | C21 | H21A | 110.1° | 109.5° |
OD1 | CG | CB | 117.9° | 120.0° |
OD1 | CG | OD2 | 122.7° | 120.0° |
H31 | C31 | H31A | 111.1° | 109.5° |
H31 | C31 | C41 | 107.8° | 109.5° |
H31A | C31 | C41 | 107.8° | 109.5° |
C5 | C41 | C31 | 120.4° | 120.0° |
N | CA | HA | 106.0° | 109.4° |
N | CA | CB | 113.0° | 109.5° |
HA | CA | CB | 108.0° | 109.5° |
CA | CB | CG | 113.0° | 109.5° |
CA | CB | HB2 | 108.3° | 109.5° |
CA | CB | HB3 | 108.3° | 109.5° |
CG | CB | HB2 | 108.3° | 109.4° |
CG | CB | HB3 | 108.3° | 109.5° |
CB | CG | OD2 | 119.4° | 120.0° |
HB2 | CB | HB3 | 110.6° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
H | N | H2 | CA | 120.0° | 124.0° |
H | N | CA | C | 180.0° | 64.0° |
H | N | CA | HA | 60.0° | 56.0° |
H | N | CA | CB | 58.2° | 176.0° |
H2 | N | CA | C | 60.0° | 60.0° |
H2 | N | CA | HA | 60.0° | 180.0° |
H2 | N | CA | CB | 178.2° | 60.0° |
C11 | C | CA | O | 116.8° | 179.9° |
C | C11 | H11 | H11A | 119.8° | 119.9° |
C | C11 | H11 | C21 | 120.5° | 120.1° |
C | C11 | H11A | C21 | 120.5° | 120.0° |
C | C11 | C21 | C31 | 177.2° | 180.0° |
C | C11 | C21 | H21 | 62.8° | 60.0° |
C | C11 | C21 | H21A | 57.3° | 60.0° |
C11 | C | CA | N | 75.1° | 165.0° |
C11 | C | CA | HA | 42.0° | 45.0° |
C11 | C | CA | CB | 160.5° | 75.0° |
CA | C | C11 | H11 | 71.1° | 59.9° |
CA | C | C11 | H11A | 49.0° | 60.0° |
CA | C | C11 | C21 | 168.9° | 180.0° |
C | CA | N | HA | 120.0° | 120.0° |
C | CA | N | CB | 121.8° | 120.0° |
C | CA | HA | CB | 118.7° | 120.0° |
C | CA | CB | CG | 153.3° | 175.0° |
C | CA | CB | HB2 | 86.7° | 65.0° |
C | CA | CB | HB3 | 33.3° | 55.0° |
O | C | C11 | H11 | 174.5° | 120.0° |
O | C | C11 | H11A | 65.5° | 120.0° |
O | C | C11 | C21 | 54.5° | 0.1° |
O | C | CA | N | 168.1° | 15.0° |
O | C | CA | HA | 74.8° | 135.0° |
O | C | CA | CB | 43.7° | 105.0° |
H5 | C5 | C6 | C41 | 180.0° | 179.7° |
H5 | C5 | C6 | H6 | 0.1° | 0.0° |
H5 | C5 | C6 | C7 | 179.9° | 180.0° |
H5 | C5 | C41 | C9 | 179.7° | 179.7° |
H5 | C5 | C41 | C31 | 1.3° | 0.3° |
C5 | C6 | H6 | C7 | 180.0° | 180.0° |
C5 | C6 | C7 | H7 | 179.9° | 180.0° |
C5 | C6 | C7 | C8 | 0.1° | 0.0° |
C6 | C5 | C41 | C9 | 0.3° | 0.6° |
C6 | C5 | C41 | C31 | 178.7° | 180.0° |
H6 | C6 | C7 | H7 | 0.1° | 0.0° |
H6 | C6 | C7 | C8 | 179.9° | 180.0° |
H6 | C6 | C5 | C41 | 179.9° | 179.7° |
C6 | C7 | H7 | C8 | 180.0° | 180.0° |
C6 | C7 | C8 | C9 | 0.2° | 0.1° |
C6 | C7 | C8 | H8 | 179.8° | 180.0° |
C7 | C6 | C5 | C41 | 0.1° | 0.3° |
H7 | C7 | C8 | C9 | 179.9° | 180.0° |
H7 | C7 | C8 | H8 | 0.1° | 0.0° |
C7 | C8 | C9 | H8 | 180.0° | 180.0° |
C7 | C8 | C9 | C41 | 0.1° | 0.2° |
C7 | C8 | C9 | H9 | 180.0° | 180.0° |
C8 | C9 | C41 | H9 | 180.0° | 179.8° |
C8 | C9 | C41 | C5 | 0.3° | 0.5° |
C8 | C9 | C41 | C31 | 178.7° | 179.9° |
H8 | C8 | C9 | C41 | 179.9° | 179.8° |
H8 | C8 | C9 | H9 | 0.0° | 0.0° |
C9 | C41 | C31 | C21 | 25.4° | 90.0° |
C9 | C41 | C31 | H31 | 145.4° | 30.0° |
C9 | C41 | C31 | H31A | 94.6° | 150.0° |
C9 | C41 | C5 | C31 | 179.0° | 179.4° |
H9 | C9 | C41 | C5 | 179.8° | 179.7° |
H9 | C9 | C41 | C31 | 1.2° | 0.3° |
H11 | C11 | H11A | C21 | 119.7° | 120.0° |
H11 | C11 | C21 | C31 | 57.3° | 59.9° |
H11 | C11 | C21 | H21 | 177.2° | 180.0° |
H11 | C11 | C21 | H21A | 62.7° | 60.0° |
H11A | C11 | C21 | C31 | 62.8° | 60.1° |
H11A | C11 | C21 | H21 | 57.2° | 60.0° |
H11A | C11 | C21 | H21A | 177.2° | 180.0° |
HD2 | OD2 | CG | OD1 | 0.0° | 0.0° |
HD2 | OD2 | CG | CB | 179.5° | 180.0° |
C11 | C21 | C31 | H21 | 120.0° | 120.0° |
C11 | C21 | C31 | H21A | 120.0° | 119.9° |
C11 | C21 | H21 | H21A | 119.2° | 119.9° |
C11 | C21 | C31 | H31 | 51.3° | 60.0° |
C11 | C21 | C31 | H31A | 68.7° | 60.0° |
C11 | C21 | C31 | C41 | 171.3° | 180.0° |
C31 | C21 | H21 | H21A | 119.2° | 120.1° |
C21 | C31 | H31 | H31A | 118.0° | 120.0° |
C21 | C31 | H31 | C41 | 124.1° | 120.0° |
C21 | C31 | H31A | C41 | 124.1° | 119.9° |
C21 | C31 | C41 | C5 | 153.6° | 90.6° |
H21 | C21 | C31 | H31 | 171.3° | 180.0° |
H21 | C21 | C31 | H31A | 51.3° | 59.9° |
H21 | C21 | C31 | C41 | 68.7° | 60.0° |
H21A | C21 | C31 | H31 | 68.7° | 59.9° |
H21A | C21 | C31 | H31A | 171.3° | 180.0° |
H21A | C21 | C31 | C41 | 51.3° | 60.1° |
OD1 | CG | CB | CA | 147.4° | 0.0° |
OD1 | CG | CB | OD2 | 179.6° | 179.9° |
OD1 | CG | CB | HB2 | 27.4° | 120.0° |
OD1 | CG | CB | HB3 | 92.6° | 120.0° |
H31 | C31 | H31A | C41 | 117.9° | 120.1° |
H31 | C31 | C41 | C5 | 33.6° | 149.4° |
H31A | C31 | C41 | C5 | 86.4° | 29.4° |
N | CA | HA | CB | 121.4° | 120.0° |
N | CA | CB | CG | 83.8° | 65.0° |
N | CA | CB | HB2 | 36.2° | 55.0° |
N | CA | CB | HB3 | 156.2° | 175.0° |
HA | CA | CB | CG | 33.2° | 55.0° |
HA | CA | CB | HB2 | 153.2° | 174.9° |
HA | CA | CB | HB3 | 86.8° | 65.1° |
CA | CB | CG | HB2 | 120.0° | 120.0° |
CA | CB | CG | HB3 | 120.0° | 120.0° |
CA | CB | HB2 | HB3 | 118.6° | 120.0° |
CA | CB | CG | OD2 | 33.0° | 180.0° |
CG | CB | HB2 | HB3 | 118.6° | 120.0° |
HB2 | CB | CG | OD2 | 153.0° | 60.0° |
HB3 | CB | CG | OD2 | 87.0° | 60.0° |