SMF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.44Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.52Å | 1.50Å | |
| CA | HA | sing | 1.10Å | 1.11Å | |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CB | HB2 | sing | 1.10Å | 1.11Å | |
| CB | HB3 | sing | 1.10Å | 1.11Å | |
| CG | CD1 | doub | 1.39Å | 1.41Å | Aromatic |
| CG | CD2 | sing | 1.39Å | 1.41Å | Aromatic |
| CD1 | CE1 | sing | 1.39Å | 1.41Å | Aromatic |
| CD1 | HD1 | sing | 1.09Å | 1.10Å | |
| CE1 | CZ | doub | 1.39Å | 1.42Å | Aromatic |
| CE1 | HE1 | sing | 1.09Å | 1.10Å | |
| CD2 | CE2 | doub | 1.39Å | 1.41Å | Aromatic |
| CD2 | HD2 | sing | 1.09Å | 1.10Å | |
| CE2 | CZ | sing | 1.40Å | 1.41Å | Aromatic |
| CE2 | HE2 | sing | 1.09Å | 1.10Å | |
| CZ | CH | sing | 1.49Å | 1.51Å | |
| CH | S | sing | 1.76Å | 1.82Å | |
| CH | HH2 | sing | 1.10Å | 1.11Å | |
| CH | HH3 | sing | 1.10Å | 1.11Å | |
| S | O1 | doub | 1.45Å | 1.42Å | |
| S | O2 | doub | 1.45Å | 1.52Å | |
| S | O3 | sing | 1.63Å | 1.42Å | |
| O3 | HO3 | sing | 0.99Å | 0.95Å | |
| C | O | doub | 1.23Å | 1.23Å | |
| C | OXT | sing | 1.35Å | 39.83Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 112.0° | 119.0° |
| CA | N | H2 | 109.9° | 119.0° |
| N | CA | CB | 109.9° | 111.1° |
| N | CA | C | 108.6° | 111.1° |
| N | CA | HA | 109.8° | 106.2° |
| H | N | H2 | 112.1° | 120.5° |
| CB | CA | C | 109.6° | 110.0° |
| CB | CA | HA | 108.8° | 111.4° |
| CA | CB | CG | 109.1° | 113.0° |
| CA | CB | HB2 | 112.3° | 110.5° |
| CA | CB | HB3 | 112.4° | 110.2° |
| C | CA | HA | 110.1° | 106.9° |
| CA | C | O | 121.0° | 123.0° |
| CA | C | OXT | 104.0° | 114.8° |
| CG | CB | HB2 | 112.3° | 108.0° |
| CG | CB | HB3 | 112.4° | 109.7° |
| CB | CG | CD1 | 120.0° | 119.4° |
| CB | CG | CD2 | 119.9° | 119.3° |
| HB2 | CB | HB3 | 98.1° | 105.2° |
| CD1 | CG | CD2 | 120.1° | 121.3° |
| CG | CD1 | CE1 | 119.8° | 119.4° |
| CG | CD1 | HD1 | 120.0° | 121.2° |
| CG | CD2 | CE2 | 120.1° | 119.4° |
| CG | CD2 | HD2 | 120.2° | 121.2° |
| CE1 | CD1 | HD1 | 120.1° | 119.5° |
| CD1 | CE1 | CZ | 120.1° | 120.0° |
| CD1 | CE1 | HE1 | 119.8° | 119.5° |
| CZ | CE1 | HE1 | 120.1° | 120.5° |
| CE1 | CZ | CE2 | 120.0° | 120.0° |
| CE1 | CZ | CH | 120.1° | 120.0° |
| CE2 | CD2 | HD2 | 119.7° | 119.5° |
| CD2 | CE2 | CZ | 120.0° | 119.9° |
| CD2 | CE2 | HE2 | 119.9° | 119.6° |
| CZ | CE2 | HE2 | 120.1° | 120.5° |
| CE2 | CZ | CH | 119.9° | 120.0° |
| CZ | CH | S | 112.1° | 107.9° |
| CZ | CH | HH2 | 111.3° | 112.3° |
| CZ | CH | HH3 | 111.3° | 112.3° |
| S | CH | HH2 | 111.2° | 107.9° |
| S | CH | HH3 | 111.3° | 108.0° |
| CH | S | O1 | 111.7° | 109.0° |
| CH | S | O2 | 104.2° | 108.9° |
| CH | S | O3 | 110.6° | 97.5° |
| HH2 | CH | HH3 | 99.1° | 108.3° |
| O1 | S | O2 | 103.6° | 121.5° |
| O1 | S | O3 | 121.9° | 108.7° |
| O2 | S | O3 | 102.4° | 108.7° |
| S | O3 | HO3 | 110.6° | 115.4° |
| O | C | OXT | 113.6° | 122.2° |
| C | OXT | HXT | 104.0° | 114.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 124.1° | 166.4° |
| N | CA | CB | C | 119.3° | 123.5° |
| N | CA | CB | HA | 120.3° | 118.2° |
| N | CA | C | HA | 120.3° | 115.5° |
| N | CA | CB | CG | 74.7° | 158.2° |
| N | CA | CB | HB2 | 160.1° | 37.1° |
| N | CA | CB | HB3 | 50.6° | 78.7° |
| N | CA | C | O | 151.3° | 34.5° |
| N | CA | C | OXT | 79.7° | 145.1° |
| H | N | CA | CB | 54.7° | 144.3° |
| H | N | CA | C | 174.6° | 92.9° |
| H | N | CA | HA | 64.9° | 23.1° |
| H2 | N | CA | CB | 180.0° | 22.3° |
| H2 | N | CA | C | 60.1° | 100.5° |
| H2 | N | CA | HA | 60.4° | 143.5° |
| CB | CA | C | HA | 119.6° | 121.1° |
| CA | CB | CG | HB2 | 125.2° | 122.5° |
| CA | CB | CG | HB3 | 125.3° | 123.3° |
| CA | CB | HB2 | HB3 | 118.3° | 118.9° |
| CA | CB | CG | CD1 | 127.2° | 90.0° |
| CA | CB | CG | CD2 | 52.6° | 90.0° |
| CB | CA | C | O | 88.6° | 88.9° |
| CB | CA | C | OXT | 40.4° | 91.4° |
| C | CA | CB | CG | 166.0° | 78.3° |
| C | CA | CB | HB2 | 40.8° | 160.5° |
| C | CA | CB | HB3 | 68.7° | 44.7° |
| CA | C | O | OXT | 124.7° | 179.6° |
| CA | C | OXT | HXT | 180.0° | 179.6° |
| HA | CA | CB | CG | 45.6° | 40.0° |
| HA | CA | CB | HB2 | 79.6° | 81.1° |
| HA | CA | CB | HB3 | 170.9° | 163.1° |
| HA | CA | C | O | 31.0° | 150.0° |
| HA | CA | C | OXT | 160.1° | 29.6° |
| CG | CB | HB2 | HB3 | 118.3° | 117.1° |
| CB | CG | CD1 | CD2 | 179.8° | 180.0° |
| CB | CG | CD1 | CE1 | 179.6° | 180.0° |
| CB | CG | CD1 | HD1 | 0.4° | 0.1° |
| CB | CG | CD2 | CE2 | 179.6° | 180.0° |
| CB | CG | CD2 | HD2 | 0.4° | 0.0° |
| HB2 | CB | CG | CD1 | 107.5° | 147.5° |
| HB2 | CB | CG | CD2 | 72.6° | 32.5° |
| HB3 | CB | CG | CD1 | 2.0° | 33.3° |
| HB3 | CB | CG | CD2 | 177.9° | 146.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.0° | 0.1° |
| CG | CD1 | CE1 | HE1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.2° | 0.0° |
| CD1 | CG | CD2 | HD2 | 179.8° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.1° |
| CD2 | CG | CD1 | HD1 | 179.8° | 180.0° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.0° | 0.0° |
| CG | CD2 | CE2 | HE2 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.1° |
| CD1 | CE1 | CZ | CH | 179.4° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 180.0° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.1° | 0.1° |
| CE1 | CZ | CE2 | CD2 | 0.1° | 0.1° |
| CE1 | CZ | CE2 | CH | 179.5° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 179.8° | 180.0° |
| CE1 | CZ | CH | S | 87.3° | 89.9° |
| CE1 | CZ | CH | HH2 | 38.0° | 28.9° |
| CE1 | CZ | CH | HH3 | 147.4° | 151.2° |
| HE1 | CE1 | CZ | CE2 | 179.9° | 180.0° |
| HE1 | CE1 | CZ | CH | 0.6° | 0.2° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | CH | 179.4° | 179.9° |
| HD2 | CD2 | CE2 | CZ | 180.0° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.0° | 0.0° |
| CE2 | CZ | CH | S | 93.2° | 89.9° |
| CE2 | CZ | CH | HH2 | 141.6° | 151.3° |
| CE2 | CZ | CH | HH3 | 32.1° | 28.9° |
| HE2 | CE2 | CZ | CH | 0.6° | 0.1° |
| CZ | CH | S | HH2 | 125.3° | 121.6° |
| CZ | CH | S | HH3 | 125.3° | 121.6° |
| CZ | CH | HH2 | HH3 | 117.2° | 124.6° |
| CZ | CH | S | O1 | 59.6° | 60.1° |
| CZ | CH | S | O2 | 51.7° | 74.4° |
| CZ | CH | S | O3 | 161.1° | 172.8° |
| S | CH | HH2 | HH3 | 117.1° | 116.6° |
| CH | S | O1 | O2 | 111.6° | 127.7° |
| CH | S | O1 | O3 | 134.0° | 105.2° |
| CH | S | O2 | O3 | 115.4° | 105.1° |
| CH | S | O3 | HO3 | 180.0° | 71.1° |
| HH2 | CH | S | O1 | 175.2° | 178.4° |
| HH2 | CH | S | O2 | 73.6° | 47.1° |
| HH2 | CH | S | O3 | 35.9° | 65.6° |
| HH3 | CH | S | O1 | 65.7° | 61.5° |
| HH3 | CH | S | O2 | 177.0° | 164.0° |
| HH3 | CH | S | O3 | 73.6° | 51.2° |
| O1 | S | O2 | O3 | 127.6° | 127.2° |
| O1 | S | O3 | HO3 | 45.6° | 41.9° |
| O2 | S | O3 | HO3 | 69.4° | 176.0° |
| O | C | OXT | HXT | 46.6° | 0.0° |
