4IN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.51Å | 1.47Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.34Å | 1.36Å | Aromatic |
| CG | CD2 | sing | 1.46Å | 1.44Å | Aromatic |
| CD1 | NE1 | sing | 1.37Å | 1.37Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| NE1 | CE2 | sing | 1.38Å | 1.37Å | Aromatic |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| CE2 | CZ2 | doub | 1.39Å | 1.40Å | Aromatic |
| CE2 | CD2 | sing | 1.41Å | 1.41Å | Aromatic |
| CZ2 | CH2 | sing | 1.38Å | 1.38Å | Aromatic |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CH2 | CZ3 | doub | 1.39Å | 1.40Å | Aromatic |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| CZ3 | CE3 | sing | 1.38Å | 1.40Å | Aromatic |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| CE3 | N16 | sing | 1.40Å | 1.38Å | |
| CE3 | CD2 | doub | 1.40Å | 1.40Å | Aromatic |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| N16 | H162 | sing | 0.97Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 66.30Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | CB | 110.8° | 109.4° |
| N | CA | C | 112.4° | 109.5° |
| N | CA | HA | 106.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CB | CA | C | 109.4° | 109.5° |
| CB | CA | HA | 109.7° | 109.5° |
| CA | CB | CG | 114.4° | 109.5° |
| CA | CB | HB2 | 107.9° | 109.5° |
| CA | CB | HB3 | 107.9° | 109.5° |
| C | CA | HA | 108.0° | 109.5° |
| CA | C | OXT | 98.7° | 120.0° |
| CA | C | O | 120.3° | 120.0° |
| CG | CB | HB2 | 107.8° | 109.5° |
| CG | CB | HB3 | 107.8° | 109.4° |
| CB | CG | CD1 | 126.8° | 126.5° |
| CB | CG | CD2 | 127.0° | 126.5° |
| HB2 | CB | HB3 | 111.0° | 109.5° |
| CD1 | CG | CD2 | 106.2° | 107.0° |
| CG | CD1 | NE1 | 110.1° | 109.9° |
| CG | CD1 | HD1 | 124.9° | 125.1° |
| CG | CD2 | CE2 | 107.2° | 106.1° |
| CG | CD2 | CE3 | 134.2° | 134.0° |
| NE1 | CD1 | HD1 | 124.9° | 125.0° |
| CD1 | NE1 | CE2 | 109.1° | 109.8° |
| CD1 | NE1 | HE1 | 125.4° | 125.1° |
| CE2 | NE1 | HE1 | 125.5° | 125.1° |
| NE1 | CE2 | CZ2 | 130.1° | 133.3° |
| NE1 | CE2 | CD2 | 107.4° | 107.1° |
| CZ2 | CE2 | CD2 | 122.5° | 119.5° |
| CE2 | CZ2 | CH2 | 117.7° | 120.0° |
| CE2 | CZ2 | HZ2 | 121.1° | 120.0° |
| CE2 | CD2 | CE3 | 118.7° | 119.9° |
| CH2 | CZ2 | HZ2 | 121.2° | 120.0° |
| CZ2 | CH2 | CZ3 | 121.3° | 120.7° |
| CZ2 | CH2 | HH2 | 119.4° | 119.6° |
| CZ3 | CH2 | HH2 | 119.3° | 119.6° |
| CH2 | CZ3 | CE3 | 121.0° | 120.3° |
| CH2 | CZ3 | HZ3 | 119.5° | 119.9° |
| CE3 | CZ3 | HZ3 | 119.5° | 119.9° |
| CZ3 | CE3 | N16 | 117.6° | 120.2° |
| CZ3 | CE3 | CD2 | 118.8° | 119.5° |
| N16 | CE3 | CD2 | 123.6° | 120.3° |
| CE3 | N16 | H161 | 109.5° | 120.1° |
| CE3 | N16 | H162 | 109.5° | 120.0° |
| H161 | N16 | H162 | 109.4° | 119.9° |
| OXT | C | O | 51.1° | 120.0° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | C | 124.5° | 120.0° |
| N | CA | CB | HA | 117.3° | 120.0° |
| N | CA | C | HA | 117.2° | 120.0° |
| N | CA | CB | CG | 78.3° | 65.4° |
| N | CA | CB | HB2 | 41.7° | 54.6° |
| N | CA | CB | HB3 | 161.7° | 174.6° |
| N | CA | C | OXT | 170.9° | 160.0° |
| N | CA | C | O | 139.3° | 20.0° |
| H | N | CA | CB | 180.0° | 174.7° |
| H | N | CA | C | 57.3° | 65.3° |
| H | N | CA | HA | 60.8° | 54.7° |
| H2 | N | CA | CB | 60.0° | 61.3° |
| H2 | N | CA | C | 62.7° | 58.7° |
| H2 | N | CA | HA | 179.2° | 178.7° |
| CB | CA | C | HA | 119.3° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 118.0° | 120.0° |
| CA | CB | CG | CD1 | 107.4° | 99.9° |
| CA | CB | CG | CD2 | 74.0° | 80.4° |
| CB | CA | C | OXT | 47.4° | 80.0° |
| CB | CA | C | O | 97.2° | 100.0° |
| C | CA | CB | CG | 157.3° | 174.6° |
| C | CA | CB | HB2 | 82.7° | 65.4° |
| C | CA | CB | HB3 | 37.3° | 54.6° |
| CA | C | OXT | O | 122.2° | 180.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| HA | CA | CB | CG | 39.0° | 54.6° |
| HA | CA | CB | HB2 | 159.0° | 174.6° |
| HA | CA | CB | HB3 | 81.0° | 65.4° |
| HA | CA | C | OXT | 71.9° | 40.0° |
| HA | CA | C | O | 22.1° | 140.0° |
| CG | CB | HB2 | HB3 | 117.9° | 119.9° |
| CB | CG | CD1 | CD2 | 178.8° | 179.8° |
| CB | CG | CD1 | NE1 | 178.8° | 180.0° |
| CB | CG | CD1 | HD1 | 1.2° | 0.0° |
| CB | CG | CD2 | CE2 | 178.7° | 179.9° |
| CB | CG | CD2 | CE3 | 1.3° | 0.7° |
| HB2 | CB | CG | CD1 | 12.6° | 20.2° |
| HB2 | CB | CG | CD2 | 166.0° | 159.6° |
| HB3 | CB | CG | CD1 | 132.6° | 140.1° |
| HB3 | CB | CG | CD2 | 46.0° | 39.6° |
| CG | CD1 | NE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | NE1 | CE2 | 0.1° | 0.0° |
| CG | CD1 | NE1 | HE1 | 179.9° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.1° | 0.3° |
| CD1 | CG | CD2 | CE3 | 179.8° | 179.5° |
| CD2 | CG | CD1 | NE1 | 0.0° | 0.2° |
| CD2 | CG | CD1 | HD1 | 180.0° | 179.8° |
| CG | CD2 | CE2 | NE1 | 0.2° | 0.3° |
| CG | CD2 | CE2 | CZ2 | 179.8° | 179.8° |
| CG | CD2 | CE2 | CE3 | 179.9° | 179.3° |
| CG | CD2 | CE3 | CZ3 | 179.9° | 179.7° |
| CG | CD2 | CE3 | N16 | 0.1° | 0.6° |
| CD1 | NE1 | CE2 | HE1 | 180.0° | 180.0° |
| CD1 | NE1 | CE2 | CZ2 | 179.8° | 180.0° |
| CD1 | NE1 | CE2 | CD2 | 0.2° | 0.2° |
| HD1 | CD1 | NE1 | CE2 | 179.9° | 180.0° |
| HD1 | CD1 | NE1 | HE1 | 0.1° | 0.0° |
| NE1 | CE2 | CZ2 | CD2 | 180.0° | 179.8° |
| NE1 | CE2 | CZ2 | CH2 | 179.7° | 180.0° |
| NE1 | CE2 | CZ2 | HZ2 | 0.3° | 0.0° |
| NE1 | CE2 | CD2 | CE3 | 179.8° | 179.7° |
| HE1 | NE1 | CE2 | CZ2 | 0.2° | 0.0° |
| HE1 | NE1 | CE2 | CD2 | 179.8° | 179.8° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | CZ3 | 0.0° | 0.0° |
| CE2 | CZ2 | CH2 | HH2 | 180.0° | 180.0° |
| CZ2 | CE2 | CD2 | CE3 | 0.3° | 0.5° |
| CD2 | CE2 | CZ2 | CH2 | 0.3° | 0.2° |
| CD2 | CE2 | CZ2 | HZ2 | 179.7° | 179.8° |
| CE2 | CD2 | CE3 | CZ3 | 0.0° | 0.5° |
| CE2 | CD2 | CE3 | N16 | 179.8° | 179.8° |
| CZ2 | CH2 | CZ3 | HH2 | 180.0° | 179.9° |
| CZ2 | CH2 | CZ3 | CE3 | 0.2° | 0.0° |
| CZ2 | CH2 | CZ3 | HZ3 | 179.8° | 180.0° |
| HZ2 | CZ2 | CH2 | CZ3 | 180.0° | 180.0° |
| HZ2 | CZ2 | CH2 | HH2 | 0.0° | 0.0° |
| CH2 | CZ3 | CE3 | HZ3 | 180.0° | 180.0° |
| CH2 | CZ3 | CE3 | N16 | 179.9° | 180.0° |
| CH2 | CZ3 | CE3 | CD2 | 0.2° | 0.3° |
| HH2 | CH2 | CZ3 | CE3 | 179.8° | 179.9° |
| HH2 | CH2 | CZ3 | HZ3 | 0.2° | 0.0° |
| CZ3 | CE3 | N16 | CD2 | 179.8° | 179.7° |
| CZ3 | CE3 | N16 | H161 | 180.0° | 5.3° |
| CZ3 | CE3 | N16 | H162 | 60.0° | 174.7° |
| HZ3 | CZ3 | CE3 | N16 | 0.0° | 0.0° |
| HZ3 | CZ3 | CE3 | CD2 | 179.8° | 179.7° |
| CE3 | N16 | H161 | H162 | 120.0° | 180.0° |
| CD2 | CE3 | N16 | H161 | 0.2° | 175.0° |
| CD2 | CE3 | N16 | H162 | 119.8° | 5.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
