F7P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C3 | C1 | sing | 1.53Å | 1.59Å | |
O6 | C4 | sing | 1.43Å | 1.41Å | |
C2 | C1 | sing | 1.53Å | 1.50Å | |
C5 | C4 | sing | 1.53Å | 1.54Å | |
C1 | C4 | sing | 1.53Å | 1.52Å | |
C1 | NE1 | sing | 1.47Å | 1.50Å | |
O | C | doub | 1.21Å | 1.28Å | |
NE1 | CD1 | sing | 1.37Å | 1.35Å | Aromatic |
NE1 | CE2 | sing | 1.38Å | 1.41Å | Aromatic |
CD1 | CG | doub | 1.34Å | 1.35Å | Aromatic |
C | CA | sing | 1.51Å | 1.44Å | |
CG | CB | sing | 1.51Å | 1.59Å | |
CG | CD2 | sing | 1.47Å | 1.49Å | Aromatic |
CE2 | CZ2 | doub | 1.39Å | 1.38Å | Aromatic |
CE2 | CD2 | sing | 1.41Å | 1.43Å | Aromatic |
CA | CB | sing | 1.53Å | 1.56Å | |
CA | N | sing | 1.47Å | 1.41Å | |
CZ2 | CH2 | sing | 1.38Å | 1.38Å | Aromatic |
CD2 | CE3 | doub | 1.40Å | 1.40Å | Aromatic |
CH2 | CZ3 | doub | 1.39Å | 1.39Å | Aromatic |
CE3 | CZ3 | sing | 1.37Å | 1.37Å | Aromatic |
C | OXT | sing | 1.34Å | 1.26Å | |
CB | H1 | sing | 1.09Å | 1.10Å | |
CB | H3 | sing | 1.09Å | 1.10Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
C5 | H7 | sing | 1.09Å | 1.10Å | |
C5 | H8 | sing | 1.09Å | 1.10Å | |
C5 | H9 | sing | 1.09Å | 1.10Å | |
C4 | H10 | sing | 1.09Å | 1.10Å | |
C2 | H11 | sing | 1.09Å | 1.10Å | |
C2 | H12 | sing | 1.09Å | 1.10Å | |
C2 | H13 | sing | 1.09Å | 1.10Å | |
CD1 | H14 | sing | 1.08Å | 1.08Å | |
CE3 | H15 | sing | 1.08Å | 1.08Å | |
CZ2 | H16 | sing | 1.08Å | 1.08Å | |
CZ3 | H17 | sing | 1.08Å | 1.08Å | |
CH2 | H18 | sing | 1.08Å | 1.08Å | |
C3 | H19 | sing | 1.09Å | 1.10Å | |
C3 | H20 | sing | 1.09Å | 1.10Å | |
C3 | H21 | sing | 1.09Å | 1.10Å | |
O6 | H22 | sing | 0.97Å | 0.95Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | C1 | C2 | 101.6° | 109.4° |
C3 | C1 | C4 | 111.5° | 109.5° |
C3 | C1 | NE1 | 111.4° | 109.5° |
C1 | C3 | H19 | 109.5° | 109.5° |
C1 | C3 | H20 | 109.4° | 109.5° |
C1 | C3 | H21 | 109.5° | 109.5° |
O6 | C4 | C5 | 101.0° | 109.5° |
O6 | C4 | C1 | 107.4° | 109.5° |
O6 | C4 | H10 | 111.1° | 109.4° |
C4 | O6 | H22 | 109.5° | 114.1° |
C2 | C1 | C4 | 111.5° | 109.5° |
C2 | C1 | NE1 | 115.8° | 109.5° |
C1 | C2 | H11 | 109.5° | 109.4° |
C1 | C2 | H12 | 109.5° | 109.5° |
C1 | C2 | H13 | 109.5° | 109.5° |
C5 | C4 | C1 | 118.1° | 109.5° |
C4 | C5 | H7 | 109.5° | 109.5° |
C4 | C5 | H8 | 109.5° | 109.4° |
C4 | C5 | H9 | 109.5° | 109.5° |
C5 | C4 | H10 | 109.3° | 109.5° |
C4 | C1 | NE1 | 105.2° | 109.5° |
C1 | C4 | H10 | 109.6° | 109.5° |
C1 | NE1 | CD1 | 126.7° | 125.1° |
C1 | NE1 | CE2 | 123.6° | 125.0° |
O | C | CA | 113.2° | 120.0° |
O | C | OXT | 118.7° | 120.0° |
CD1 | NE1 | CE2 | 109.5° | 109.9° |
NE1 | CD1 | CG | 112.0° | 110.0° |
NE1 | CD1 | H14 | 124.0° | 125.0° |
NE1 | CE2 | CZ2 | 135.5° | 133.6° |
NE1 | CE2 | CD2 | 106.6° | 107.1° |
CD1 | CG | CB | 128.3° | 126.5° |
CD1 | CG | CD2 | 106.0° | 107.0° |
CG | CD1 | H14 | 124.0° | 125.0° |
C | CA | CB | 109.2° | 109.5° |
C | CA | N | 118.8° | 109.5° |
CA | C | OXT | 128.1° | 120.0° |
C | CA | HA | 107.5° | 109.5° |
CB | CG | CD2 | 125.7° | 126.5° |
CG | CB | CA | 113.3° | 109.5° |
CG | CB | H1 | 108.5° | 109.5° |
CG | CB | H3 | 108.5° | 109.4° |
CG | CD2 | CE2 | 105.7° | 106.0° |
CG | CD2 | CE3 | 130.9° | 134.1° |
CZ2 | CE2 | CD2 | 117.8° | 119.3° |
CE2 | CZ2 | CH2 | 119.0° | 119.8° |
CE2 | CZ2 | H16 | 120.5° | 120.1° |
CE2 | CD2 | CE3 | 123.4° | 119.9° |
CB | CA | N | 106.4° | 109.4° |
CA | CB | H1 | 108.5° | 109.5° |
CA | CB | H3 | 108.5° | 109.4° |
CB | CA | HA | 106.2° | 109.5° |
N | CA | HA | 108.0° | 109.4° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.1° |
CZ2 | CH2 | CZ3 | 122.3° | 120.7° |
CH2 | CZ2 | H16 | 120.5° | 120.1° |
CZ2 | CH2 | H18 | 118.8° | 119.7° |
CD2 | CE3 | CZ3 | 116.1° | 119.8° |
CD2 | CE3 | H15 | 122.0° | 120.1° |
CH2 | CZ3 | CE3 | 121.2° | 120.5° |
CH2 | CZ3 | H17 | 119.4° | 119.7° |
CZ3 | CH2 | H18 | 118.9° | 119.6° |
CZ3 | CE3 | H15 | 121.9° | 120.1° |
CE3 | CZ3 | H17 | 119.4° | 119.8° |
C | OXT | HXT | 109.5° | 117.0° |
H1 | CB | H3 | 109.5° | 109.5° |
H | N | H2 | 109.5° | 111.0° |
H7 | C5 | H8 | 109.5° | 109.5° |
H7 | C5 | H9 | 109.5° | 109.5° |
H8 | C5 | H9 | 109.5° | 109.5° |
H11 | C2 | H12 | 109.5° | 109.5° |
H11 | C2 | H13 | 109.5° | 109.5° |
H12 | C2 | H13 | 109.4° | 109.5° |
H19 | C3 | H20 | 109.5° | 109.5° |
H19 | C3 | H21 | 109.5° | 109.4° |
H20 | C3 | H21 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | C1 | C4 | O6 | 55.0° | 54.5° |
C3 | C1 | C2 | C4 | 118.9° | 120.0° |
C3 | C1 | C2 | NE1 | 120.8° | 120.0° |
C3 | C1 | C4 | C5 | 58.2° | 65.5° |
C3 | C1 | C4 | NE1 | 120.9° | 120.0° |
C3 | C1 | NE1 | CD1 | 17.9° | 122.3° |
C3 | C1 | NE1 | CE2 | 168.6° | 57.9° |
C3 | C1 | C4 | H10 | 175.8° | 174.5° |
C3 | C1 | C2 | H11 | 180.0° | 180.0° |
C3 | C1 | C2 | H12 | 60.0° | 60.0° |
C3 | C1 | C2 | H13 | 60.0° | 60.0° |
C1 | C3 | H19 | H20 | 120.0° | 120.0° |
C1 | C3 | H19 | H21 | 120.0° | 120.0° |
C1 | C3 | H20 | H21 | 120.0° | 120.0° |
O6 | C4 | C1 | C2 | 57.8° | 174.5° |
O6 | C4 | C5 | C1 | 116.7° | 120.0° |
O6 | C4 | C5 | H10 | 117.2° | 119.9° |
O6 | C4 | C1 | H10 | 120.8° | 119.9° |
O6 | C4 | C1 | NE1 | 175.9° | 65.5° |
O6 | C4 | C5 | H7 | 180.0° | 175.8° |
O6 | C4 | C5 | H8 | 60.0° | 64.2° |
O6 | C4 | C5 | H9 | 60.0° | 55.8° |
C2 | C1 | C4 | C5 | 171.0° | 54.5° |
C2 | C1 | C4 | NE1 | 126.3° | 120.0° |
C2 | C1 | NE1 | CD1 | 133.3° | 117.7° |
C2 | C1 | NE1 | CE2 | 53.2° | 62.1° |
C2 | C1 | C4 | H10 | 63.0° | 65.6° |
C1 | C2 | H11 | H12 | 120.0° | 120.0° |
C1 | C2 | H11 | H13 | 120.0° | 119.9° |
C1 | C2 | H12 | H13 | 120.0° | 120.0° |
C2 | C1 | C3 | H19 | 180.0° | 60.0° |
C2 | C1 | C3 | H20 | 60.0° | 180.0° |
C2 | C1 | C3 | H21 | 60.0° | 60.0° |
C5 | C4 | C1 | H10 | 126.0° | 120.0° |
C5 | C4 | C1 | NE1 | 62.7° | 174.5° |
C4 | C5 | H7 | H8 | 120.0° | 119.9° |
C4 | C5 | H7 | H9 | 120.0° | 120.1° |
C4 | C5 | H8 | H9 | 120.0° | 120.1° |
C5 | C4 | O6 | H22 | 180.0° | 59.9° |
C4 | C1 | NE1 | CD1 | 103.1° | 2.3° |
C4 | C1 | NE1 | CE2 | 70.4° | 177.9° |
C1 | C4 | C5 | H7 | 63.3° | 64.1° |
C1 | C4 | C5 | H8 | 56.7° | 55.9° |
C1 | C4 | C5 | H9 | 176.7° | 175.9° |
C4 | C1 | C2 | H11 | 61.1° | 60.0° |
C4 | C1 | C2 | H12 | 58.9° | 180.0° |
C4 | C1 | C2 | H13 | 178.9° | 60.0° |
C4 | C1 | C3 | H19 | 61.1° | 180.0° |
C4 | C1 | C3 | H20 | 178.9° | 60.0° |
C4 | C1 | C3 | H21 | 58.9° | 60.0° |
C1 | C4 | O6 | H22 | 55.7° | 180.0° |
C1 | NE1 | CD1 | CE2 | 174.2° | 179.8° |
C1 | NE1 | CD1 | CG | 178.5° | 180.0° |
C1 | NE1 | CE2 | CZ2 | 5.3° | 0.3° |
C1 | NE1 | CE2 | CD2 | 178.1° | 179.9° |
NE1 | C1 | C4 | H10 | 63.3° | 54.5° |
NE1 | C1 | C2 | H11 | 59.2° | 60.0° |
NE1 | C1 | C2 | H12 | 179.2° | 60.0° |
NE1 | C1 | C2 | H13 | 60.9° | 180.0° |
C1 | NE1 | CD1 | H14 | 1.5° | 0.1° |
NE1 | C1 | C3 | H19 | 56.1° | 60.0° |
NE1 | C1 | C3 | H20 | 63.9° | 60.0° |
NE1 | C1 | C3 | H21 | 176.1° | 180.0° |
O | C | CA | OXT | 178.9° | 180.0° |
O | C | CA | CB | 64.2° | 100.0° |
O | C | CA | N | 58.0° | 20.0° |
O | C | CA | HA | 179.1° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
NE1 | CD1 | CG | H14 | 180.0° | 179.9° |
NE1 | CD1 | CG | CB | 179.9° | 180.0° |
NE1 | CD1 | CG | CD2 | 3.0° | 0.3° |
CD1 | NE1 | CE2 | CZ2 | 179.8° | 179.9° |
CD1 | NE1 | CE2 | CD2 | 3.6° | 0.1° |
CE2 | NE1 | CD1 | CG | 4.2° | 0.2° |
NE1 | CE2 | CD2 | CG | 1.8° | 0.1° |
NE1 | CE2 | CZ2 | CD2 | 176.3° | 179.8° |
NE1 | CE2 | CZ2 | CH2 | 179.4° | 179.9° |
NE1 | CE2 | CD2 | CE3 | 177.9° | 179.9° |
CE2 | NE1 | CD1 | H14 | 175.7° | 179.9° |
NE1 | CE2 | CZ2 | H16 | 0.6° | 0.1° |
CD1 | CG | CB | CD2 | 176.4° | 179.6° |
CD1 | CG | CD2 | CE2 | 0.6° | 0.2° |
CD1 | CG | CB | CA | 87.0° | 94.6° |
CD1 | CG | CD2 | CE3 | 179.8° | 179.7° |
CD1 | CG | CB | H1 | 33.5° | 145.3° |
CD1 | CG | CB | H3 | 152.4° | 25.3° |
C | CA | CB | CG | 56.0° | 175.0° |
C | CA | CB | N | 129.4° | 120.0° |
C | CA | CB | HA | 115.7° | 120.1° |
C | CA | N | HA | 122.7° | 120.0° |
C | CA | CB | H1 | 64.5° | 65.0° |
C | CA | CB | H3 | 176.6° | 55.0° |
C | CA | N | H | 180.0° | 59.9° |
C | CA | N | H2 | 60.0° | 176.1° |
CA | C | OXT | HXT | 178.8° | 180.0° |
CB | CG | CD2 | CE2 | 177.7° | 179.9° |
CG | CB | CA | H1 | 120.6° | 120.1° |
CG | CB | CA | H3 | 120.6° | 120.0° |
CG | CB | CA | N | 174.6° | 65.0° |
CB | CG | CD2 | CE3 | 2.7° | 0.0° |
CG | CB | H1 | H3 | 118.2° | 120.0° |
CG | CB | CA | HA | 59.7° | 54.9° |
CB | CG | CD1 | H14 | 0.1° | 0.1° |
CG | CD2 | CE2 | CZ2 | 179.1° | 179.8° |
CG | CD2 | CE2 | CE3 | 179.7° | 180.0° |
CD2 | CG | CB | CA | 96.6° | 85.0° |
CG | CD2 | CE3 | CZ3 | 179.3° | 180.0° |
CD2 | CG | CB | H1 | 142.9° | 35.0° |
CD2 | CG | CB | H3 | 24.0° | 155.0° |
CD2 | CG | CD1 | H14 | 177.0° | 179.9° |
CG | CD2 | CE3 | H15 | 0.7° | 0.0° |
CE2 | CZ2 | CH2 | H16 | 180.0° | 180.0° |
CZ2 | CE2 | CD2 | CE3 | 0.6° | 0.3° |
CE2 | CZ2 | CH2 | CZ3 | 5.5° | 0.3° |
CE2 | CZ2 | CH2 | H18 | 174.5° | 180.0° |
CD2 | CE2 | CZ2 | CH2 | 3.1° | 0.1° |
CE2 | CD2 | CE3 | CZ3 | 0.3° | 0.0° |
CE2 | CD2 | CE3 | H15 | 179.7° | 179.9° |
CD2 | CE2 | CZ2 | H16 | 176.9° | 180.0° |
CB | CA | N | HA | 113.7° | 120.0° |
CB | CA | C | OXT | 116.9° | 80.0° |
CA | CB | H1 | H3 | 118.3° | 120.0° |
CB | CA | N | H | 56.4° | 60.1° |
CB | CA | N | H2 | 176.4° | 63.9° |
N | CA | C | OXT | 120.8° | 160.0° |
N | CA | CB | H1 | 64.9° | 55.0° |
N | CA | CB | H3 | 54.0° | 175.0° |
CA | N | H | H2 | 120.0° | 124.0° |
CZ2 | CH2 | CZ3 | H18 | 180.0° | 179.7° |
CZ2 | CH2 | CZ3 | CE3 | 5.4° | 0.5° |
CZ2 | CH2 | CZ3 | H17 | 174.6° | 179.8° |
CD2 | CE3 | CZ3 | CH2 | 2.6° | 0.3° |
CD2 | CE3 | CZ3 | H15 | 180.0° | 180.0° |
CD2 | CE3 | CZ3 | H17 | 177.4° | 180.0° |
CH2 | CZ3 | CE3 | H17 | 180.0° | 179.7° |
CH2 | CZ3 | CE3 | H15 | 177.5° | 179.7° |
CZ3 | CH2 | CZ2 | H16 | 174.4° | 179.6° |
CE3 | CZ3 | CH2 | H18 | 174.6° | 179.8° |
OXT | C | CA | HA | 2.0° | 40.0° |
H1 | CB | CA | HA | 179.8° | 175.0° |
H3 | CB | CA | HA | 60.9° | 65.0° |
HA | CA | N | H | 57.3° | 180.0° |
HA | CA | N | H2 | 62.7° | 56.0° |
H7 | C5 | H8 | H9 | 120.0° | 120.0° |
H7 | C5 | C4 | H10 | 62.8° | 55.9° |
H8 | C5 | C4 | H10 | 177.2° | 175.9° |
H9 | C5 | C4 | H10 | 57.2° | 64.1° |
H10 | C4 | O6 | H22 | 64.2° | 60.0° |
H11 | C2 | H12 | H13 | 120.0° | 120.0° |
H15 | CE3 | CZ3 | H17 | 2.5° | 0.0° |
H16 | CZ2 | CH2 | H18 | 5.6° | 0.0° |
H17 | CZ3 | CH2 | H18 | 5.4° | 0.1° |
H19 | C3 | H20 | H21 | 120.0° | 119.9° |