SFK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAN | CAM | doub | 1.21Å | 1.23Å | |
| CAS | CAQ | sing | 1.53Å | 1.54Å | |
| CAM | CAO | sing | 1.51Å | 1.54Å | |
| CAM | N | sing | 1.35Å | 1.34Å | |
| CAO | CAP | sing | 1.53Å | 1.52Å | |
| CAP | CAQ | sing | 1.53Å | 1.51Å | |
| CA | N | sing | 1.46Å | 1.48Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CAQ | CAR | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.51Å | 1.42Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| CG | CD2 | doub | 1.38Å | 1.40Å | Aromatic |
| CG | CD1 | sing | 1.38Å | 1.40Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | CZ | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | H1 | sing | 1.09Å | 1.10Å | |
| CAR | H2 | sing | 1.09Å | 1.10Å | |
| CAR | H3 | sing | 1.09Å | 1.10Å | |
| CAQ | H4 | sing | 1.09Å | 1.10Å | |
| CAS | H5 | sing | 1.09Å | 1.10Å | |
| CAS | H6 | sing | 1.09Å | 1.10Å | |
| CAS | H7 | sing | 1.09Å | 1.10Å | |
| CAP | H8 | sing | 1.09Å | 1.10Å | |
| CAP | H9 | sing | 1.09Å | 1.10Å | |
| CAO | H10 | sing | 1.09Å | 1.10Å | |
| CAO | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| CA | H13 | sing | 1.09Å | 1.10Å | |
| OXT | H14 | sing | 0.97Å | 0.95Å | |
| CB | H15 | sing | 1.09Å | 1.10Å | |
| CB | H16 | sing | 1.09Å | 1.10Å | |
| CD1 | H17 | sing | 1.08Å | 1.08Å | |
| CE1 | H18 | sing | 1.08Å | 1.08Å | |
| CZ | H19 | sing | 1.08Å | 1.08Å | |
| CE2 | H20 | sing | 1.08Å | 1.08Å | |
| CD2 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAN | CAM | CAO | 120.3° | 120.0° |
| OAN | CAM | N | 123.9° | 120.0° |
| CAS | CAQ | CAP | 110.0° | 109.5° |
| CAS | CAQ | CAR | 110.1° | 109.5° |
| CAS | CAQ | H4 | 109.5° | 109.5° |
| CAQ | CAS | H5 | 109.5° | 109.5° |
| CAQ | CAS | H6 | 109.5° | 109.4° |
| CAQ | CAS | H7 | 109.5° | 109.5° |
| CAO | CAM | N | 115.7° | 120.0° |
| CAM | CAO | CAP | 103.5° | 109.5° |
| CAM | CAO | H10 | 110.9° | 109.5° |
| CAM | CAO | H11 | 110.9° | 109.5° |
| CAM | N | CA | 122.2° | 120.0° |
| CAM | N | H12 | 119.0° | 120.0° |
| CAO | CAP | CAQ | 105.4° | 109.5° |
| CAO | CAP | H8 | 110.5° | 109.5° |
| CAO | CAP | H9 | 110.5° | 109.5° |
| CAP | CAO | H10 | 111.0° | 109.5° |
| CAP | CAO | H11 | 110.9° | 109.4° |
| CAP | CAQ | CAR | 107.7° | 109.5° |
| CAP | CAQ | H4 | 110.0° | 109.5° |
| CAQ | CAP | H8 | 110.5° | 109.5° |
| CAQ | CAP | H9 | 110.5° | 109.4° |
| N | CA | CB | 113.0° | 109.5° |
| N | CA | C | 108.5° | 109.5° |
| CA | N | H12 | 118.9° | 120.0° |
| N | CA | H13 | 108.8° | 109.5° |
| CB | CA | C | 110.2° | 109.5° |
| CA | CB | CG | 109.8° | 109.5° |
| CB | CA | H13 | 108.1° | 109.4° |
| CA | CB | H15 | 109.4° | 109.5° |
| CA | CB | H16 | 109.4° | 109.4° |
| CA | C | O | 116.9° | 119.9° |
| CA | C | OXT | 117.0° | 120.0° |
| C | CA | H13 | 108.2° | 109.5° |
| CAQ | CAR | H1 | 109.5° | 109.5° |
| CAQ | CAR | H2 | 109.4° | 109.5° |
| CAQ | CAR | H3 | 109.5° | 109.5° |
| CAR | CAQ | H4 | 109.6° | 109.5° |
| CB | CG | CD2 | 120.5° | 120.0° |
| CB | CG | CD1 | 120.9° | 120.0° |
| CG | CB | H15 | 109.4° | 109.5° |
| CG | CB | H16 | 109.4° | 109.5° |
| O | C | OXT | 126.0° | 120.1° |
| C | OXT | H14 | 109.5° | 117.0° |
| CD2 | CG | CD1 | 118.6° | 120.0° |
| CG | CD2 | CE2 | 120.5° | 120.0° |
| CG | CD2 | H21 | 119.8° | 120.0° |
| CG | CD1 | CE1 | 121.0° | 120.0° |
| CG | CD1 | H17 | 119.5° | 120.0° |
| CD2 | CE2 | CZ | 120.2° | 120.0° |
| CD2 | CE2 | H20 | 119.9° | 120.0° |
| CE2 | CD2 | H21 | 119.8° | 120.0° |
| CD1 | CE1 | CZ | 119.8° | 120.0° |
| CE1 | CD1 | H17 | 119.5° | 120.0° |
| CD1 | CE1 | H18 | 120.1° | 119.9° |
| CE2 | CZ | CE1 | 119.9° | 120.0° |
| CE2 | CZ | H19 | 120.1° | 120.0° |
| CZ | CE2 | H20 | 119.9° | 120.0° |
| CZ | CE1 | H18 | 120.1° | 120.0° |
| CE1 | CZ | H19 | 120.1° | 120.1° |
| H1 | CAR | H2 | 109.4° | 109.5° |
| H1 | CAR | H3 | 109.5° | 109.4° |
| H2 | CAR | H3 | 109.5° | 109.5° |
| H5 | CAS | H6 | 109.5° | 109.5° |
| H5 | CAS | H7 | 109.5° | 109.5° |
| H6 | CAS | H7 | 109.5° | 109.5° |
| H8 | CAP | H9 | 109.5° | 109.5° |
| H10 | CAO | H11 | 109.5° | 109.5° |
| H15 | CB | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAN | CAM | CAO | N | 177.6° | 180.0° |
| OAN | CAM | CAO | CAP | 75.6° | 0.0° |
| OAN | CAM | N | CA | 2.3° | 0.0° |
| OAN | CAM | CAO | H10 | 43.5° | 120.0° |
| OAN | CAM | CAO | H11 | 165.4° | 120.0° |
| OAN | CAM | N | H12 | 177.7° | 180.0° |
| CAS | CAQ | CAP | CAO | 74.3° | 175.0° |
| CAS | CAQ | CAP | CAR | 119.9° | 120.0° |
| CAS | CAQ | CAP | H4 | 120.6° | 120.0° |
| CAS | CAQ | CAR | H4 | 120.5° | 120.0° |
| CAS | CAQ | CAR | H1 | 180.0° | 60.0° |
| CAS | CAQ | CAR | H2 | 60.0° | 180.0° |
| CAS | CAQ | CAR | H3 | 60.0° | 60.0° |
| CAQ | CAS | H5 | H6 | 120.0° | 120.0° |
| CAQ | CAS | H5 | H7 | 120.0° | 120.0° |
| CAQ | CAS | H6 | H7 | 120.0° | 120.0° |
| CAS | CAQ | CAP | H8 | 166.4° | 55.0° |
| CAS | CAQ | CAP | H9 | 45.1° | 65.0° |
| CAM | CAO | CAP | H10 | 119.0° | 120.0° |
| CAM | CAO | CAP | H11 | 119.1° | 120.0° |
| CAM | CAO | CAP | CAQ | 179.9° | 180.0° |
| CAO | CAM | N | CA | 179.8° | 180.0° |
| CAM | CAO | CAP | H8 | 60.8° | 59.9° |
| CAM | CAO | CAP | H9 | 60.5° | 60.0° |
| CAM | CAO | H10 | H11 | 122.7° | 120.0° |
| CAO | CAM | N | H12 | 0.2° | 0.0° |
| N | CAM | CAO | CAP | 102.1° | 180.0° |
| CAM | N | CA | H12 | 180.0° | 180.0° |
| CAM | N | CA | CB | 89.9° | 155.0° |
| CAM | N | CA | C | 147.7° | 85.0° |
| N | CAM | CAO | H10 | 138.9° | 60.0° |
| N | CAM | CAO | H11 | 17.0° | 60.0° |
| CAM | N | CA | H13 | 30.2° | 35.0° |
| CAO | CAP | CAQ | H8 | 119.4° | 120.0° |
| CAO | CAP | CAQ | H9 | 119.3° | 119.9° |
| CAO | CAP | CAQ | CAR | 165.8° | 65.0° |
| CAO | CAP | CAQ | H4 | 46.4° | 55.0° |
| CAO | CAP | H8 | H9 | 121.9° | 120.0° |
| CAP | CAO | H10 | H11 | 122.8° | 120.0° |
| CAP | CAQ | CAR | H4 | 119.7° | 120.0° |
| CAP | CAQ | CAR | H1 | 60.1° | 180.0° |
| CAP | CAQ | CAR | H2 | 59.9° | 60.0° |
| CAP | CAQ | CAR | H3 | 179.8° | 60.0° |
| CAP | CAQ | CAS | H5 | 180.0° | 60.0° |
| CAP | CAQ | CAS | H6 | 60.0° | 60.0° |
| CAP | CAQ | CAS | H7 | 60.0° | 180.0° |
| CAQ | CAP | H8 | H9 | 121.9° | 120.0° |
| CAQ | CAP | CAO | H10 | 60.8° | 60.0° |
| CAQ | CAP | CAO | H11 | 61.1° | 60.0° |
| N | CA | CB | C | 121.5° | 120.0° |
| N | CA | CB | H13 | 120.5° | 120.0° |
| N | CA | C | H13 | 117.8° | 120.1° |
| N | CA | CB | CG | 46.9° | 65.0° |
| N | CA | C | O | 179.4° | 0.0° |
| N | CA | C | OXT | 2.8° | 180.0° |
| N | CA | CB | H15 | 166.9° | 55.0° |
| N | CA | CB | H16 | 73.2° | 175.0° |
| CB | CA | C | H13 | 118.0° | 120.0° |
| CA | CB | CG | H15 | 120.1° | 120.0° |
| CA | CB | CG | H16 | 120.1° | 120.0° |
| CB | CA | C | O | 56.4° | 120.0° |
| CB | CA | C | OXT | 121.4° | 60.0° |
| CA | CB | CG | CD2 | 94.5° | 90.0° |
| CA | CB | CG | CD1 | 87.2° | 89.7° |
| CB | CA | N | H12 | 90.1° | 25.0° |
| CA | CB | H15 | H16 | 119.9° | 120.0° |
| C | CA | CB | CG | 74.6° | 175.0° |
| CA | C | O | OXT | 177.6° | 180.0° |
| C | CA | N | H12 | 32.3° | 95.0° |
| CA | C | OXT | H14 | 177.6° | 180.0° |
| C | CA | CB | H15 | 45.4° | 65.0° |
| C | CA | CB | H16 | 165.3° | 55.0° |
| CAQ | CAR | H1 | H2 | 120.0° | 120.0° |
| CAQ | CAR | H1 | H3 | 120.0° | 120.0° |
| CAQ | CAR | H2 | H3 | 120.0° | 120.0° |
| CAR | CAQ | CAS | H5 | 61.5° | 60.0° |
| CAR | CAQ | CAS | H6 | 58.5° | 180.0° |
| CAR | CAQ | CAS | H7 | 178.5° | 60.0° |
| CAR | CAQ | CAP | H8 | 46.4° | 175.0° |
| CAR | CAQ | CAP | H9 | 74.9° | 55.0° |
| CB | CG | CD2 | CD1 | 178.3° | 179.7° |
| CB | CG | CD2 | CE2 | 179.4° | 179.8° |
| CB | CG | CD1 | CE1 | 178.8° | 180.0° |
| CG | CB | CA | H13 | 167.4° | 55.0° |
| CG | CB | H15 | H16 | 119.9° | 120.0° |
| CB | CG | CD1 | H17 | 1.2° | 0.0° |
| CB | CG | CD2 | H21 | 0.6° | 0.0° |
| O | C | CA | H13 | 61.6° | 120.0° |
| O | C | OXT | H14 | 0.0° | 0.1° |
| OXT | C | CA | H13 | 120.6° | 59.9° |
| CG | CD2 | CE2 | H21 | 180.0° | 179.8° |
| CD2 | CG | CD1 | CE1 | 0.5° | 0.3° |
| CG | CD2 | CE2 | CZ | 0.9° | 0.5° |
| CD2 | CG | CB | H15 | 145.4° | 30.0° |
| CD2 | CG | CB | H16 | 25.5° | 150.0° |
| CD2 | CG | CD1 | H17 | 179.5° | 179.8° |
| CG | CD2 | CE2 | H20 | 179.1° | 179.7° |
| CD1 | CG | CD2 | CE2 | 1.1° | 0.5° |
| CG | CD1 | CE1 | H17 | 180.0° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.3° | 0.0° |
| CD1 | CG | CB | H15 | 32.9° | 150.2° |
| CD1 | CG | CB | H16 | 152.8° | 30.3° |
| CG | CD1 | CE1 | H18 | 179.7° | 180.0° |
| CD1 | CG | CD2 | H21 | 178.9° | 179.7° |
| CD2 | CE2 | CZ | H20 | 180.0° | 179.8° |
| CD2 | CE2 | CZ | CE1 | 0.0° | 0.2° |
| CD2 | CE2 | CZ | H19 | 179.9° | 179.8° |
| CD1 | CE1 | CZ | CE2 | 0.5° | 0.0° |
| CD1 | CE1 | CZ | H18 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | H19 | 179.5° | 180.0° |
| CE2 | CZ | CE1 | H19 | 180.0° | 180.0° |
| CE2 | CZ | CE1 | H18 | 179.4° | 180.0° |
| CZ | CE2 | CD2 | H21 | 179.1° | 179.7° |
| CZ | CE1 | CD1 | H17 | 179.7° | 180.0° |
| CE1 | CZ | CE2 | H20 | 180.0° | 180.0° |
| H1 | CAR | H2 | H3 | 120.0° | 120.0° |
| H1 | CAR | CAQ | H4 | 59.5° | 60.0° |
| H2 | CAR | CAQ | H4 | 179.5° | 60.0° |
| H3 | CAR | CAQ | H4 | 60.5° | 179.9° |
| H4 | CAQ | CAS | H5 | 59.1° | 180.0° |
| H4 | CAQ | CAS | H6 | 179.1° | 60.0° |
| H4 | CAQ | CAS | H7 | 61.0° | 60.0° |
| H4 | CAQ | CAP | H8 | 73.0° | 65.0° |
| H4 | CAQ | CAP | H9 | 165.7° | 175.0° |
| H5 | CAS | H6 | H7 | 120.0° | 120.0° |
| H8 | CAP | CAO | H10 | 179.8° | 180.0° |
| H8 | CAP | CAO | H11 | 58.3° | 60.0° |
| H9 | CAP | CAO | H10 | 58.6° | 60.0° |
| H9 | CAP | CAO | H11 | 179.5° | 180.0° |
| H12 | N | CA | H13 | 149.8° | 144.9° |
| H13 | CA | CB | H15 | 72.6° | 175.0° |
| H13 | CA | CB | H16 | 47.3° | 65.0° |
| H17 | CD1 | CE1 | H18 | 0.3° | 0.0° |
| H18 | CE1 | CZ | H19 | 0.5° | 0.0° |
| H19 | CZ | CE2 | H20 | 0.0° | 0.0° |
| H20 | CE2 | CD2 | H21 | 0.8° | 0.1° |
