IGL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | H | sing | 1.01Å | 0.97Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.58Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.38Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB | CG1 | sing | 1.54Å | 1.56Å | |
| CB | CG2 | sing | 1.54Å | 1.55Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | sing | 1.51Å | 1.46Å | |
| CG1 | HG12 | sing | 1.09Å | 1.09Å | |
| CG1 | HG13 | sing | 1.09Å | 1.10Å | |
| CG2 | CD2 | sing | 1.51Å | 1.46Å | |
| CG2 | HG22 | sing | 1.09Å | 1.09Å | |
| CG2 | HG23 | sing | 1.09Å | 1.08Å | |
| CD1 | CE1 | doub | 1.38Å | 1.41Å | Aromatic |
| CD1 | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CE1 | CH1 | sing | 1.38Å | 1.41Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.02Å | |
| CH1 | CH2 | doub | 1.38Å | 1.41Å | Aromatic |
| CH1 | HH1 | sing | 1.08Å | 1.03Å | |
| CH2 | CE2 | sing | 1.38Å | 1.41Å | Aromatic |
| CH2 | HH2 | sing | 1.08Å | 1.02Å | |
| CE2 | CD2 | doub | 1.38Å | 1.41Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 116.6° | 106.7° |
| CA | N | H2 | 112.0° | 106.8° |
| N | CA | C | 109.9° | 109.4° |
| N | CA | CB | 102.9° | 109.5° |
| N | CA | HA | 110.3° | 109.5° |
| H | N | H2 | 119.7° | 106.7° |
| C | CA | CB | 117.3° | 109.5° |
| C | CA | HA | 106.5° | 109.4° |
| CA | C | O | 117.4° | 120.0° |
| CA | C | OXT | 127.7° | 120.0° |
| CB | CA | HA | 110.0° | 109.5° |
| CA | CB | CG1 | 111.9° | 110.8° |
| CA | CB | CG2 | 117.0° | 110.9° |
| CA | CB | HB | 108.6° | 110.7° |
| O | C | OXT | 114.6° | 120.0° |
| C | OXT | HXT | 127.6° | 120.0° |
| CG1 | CB | CG2 | 103.1° | 102.5° |
| CG1 | CB | HB | 108.9° | 110.8° |
| CB | CG1 | CD1 | 103.3° | 105.1° |
| CB | CG1 | HG12 | 112.6° | 110.4° |
| CB | CG1 | HG13 | 111.1° | 110.3° |
| CG2 | CB | HB | 107.0° | 111.0° |
| CB | CG2 | CD2 | 104.5° | 105.2° |
| CB | CG2 | HG22 | 111.7° | 110.3° |
| CB | CG2 | HG23 | 112.4° | 110.4° |
| CD1 | CG1 | HG12 | 111.7° | 110.4° |
| CD1 | CG1 | HG13 | 108.9° | 110.3° |
| CG1 | CD1 | CE1 | 128.5° | 130.3° |
| CG1 | CD1 | CD2 | 111.1° | 109.7° |
| HG12 | CG1 | HG13 | 109.0° | 110.3° |
| CD2 | CG2 | HG22 | 107.5° | 110.2° |
| CD2 | CG2 | HG23 | 112.6° | 110.2° |
| CG2 | CD2 | CD1 | 110.6° | 109.8° |
| CG2 | CD2 | CE2 | 128.2° | 130.4° |
| HG22 | CG2 | HG23 | 108.2° | 110.4° |
| CE1 | CD1 | CD2 | 120.4° | 119.9° |
| CD1 | CE1 | CH1 | 119.2° | 120.2° |
| CD1 | CE1 | HE1 | 120.0° | 119.9° |
| CD1 | CD2 | CE2 | 121.2° | 119.8° |
| CH1 | CE1 | HE1 | 120.8° | 119.9° |
| CE1 | CH1 | CH2 | 120.2° | 119.9° |
| CE1 | CH1 | HH1 | 120.2° | 120.0° |
| CH2 | CH1 | HH1 | 119.6° | 120.1° |
| CH1 | CH2 | CE2 | 120.3° | 120.0° |
| CH1 | CH2 | HH2 | 119.6° | 120.0° |
| CE2 | CH2 | HH2 | 120.1° | 120.0° |
| CH2 | CE2 | CD2 | 118.7° | 120.2° |
| CH2 | CE2 | HE2 | 121.0° | 119.9° |
| CD2 | CE2 | HE2 | 120.3° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 140.3° | 113.8° |
| N | CA | C | CB | 117.0° | 120.1° |
| N | CA | C | HA | 119.5° | 120.0° |
| N | CA | CB | HA | 117.5° | 120.0° |
| N | CA | C | O | 16.5° | 30.0° |
| N | CA | C | OXT | 157.1° | 150.1° |
| N | CA | CB | CG1 | 82.3° | 59.9° |
| N | CA | CB | CG2 | 159.1° | 173.0° |
| N | CA | CB | HB | 37.9° | 63.4° |
| H | N | CA | C | 88.4° | 53.8° |
| H | N | CA | CB | 37.2° | 173.8° |
| H | N | CA | HA | 154.5° | 66.2° |
| H2 | N | CA | C | 54.8° | 60.0° |
| H2 | N | CA | CB | 179.6° | 60.0° |
| H2 | N | CA | HA | 62.3° | 180.0° |
| C | CA | CB | HA | 121.8° | 120.0° |
| CA | C | O | OXT | 174.4° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| C | CA | CB | CG1 | 157.0° | 179.9° |
| C | CA | CB | CG2 | 38.4° | 67.0° |
| C | CA | CB | HB | 82.8° | 56.6° |
| CB | CA | C | O | 100.5° | 90.0° |
| CB | CA | C | OXT | 85.9° | 89.9° |
| CA | CB | CG1 | CG2 | 126.6° | 118.3° |
| CA | CB | CG1 | HB | 120.1° | 123.3° |
| CA | CB | CG2 | HB | 122.0° | 123.4° |
| CA | CB | CG1 | CD1 | 100.4° | 144.6° |
| CA | CB | CG1 | HG12 | 20.4° | 96.4° |
| CA | CB | CG1 | HG13 | 143.0° | 25.7° |
| CA | CB | CG2 | CD2 | 98.2° | 144.6° |
| CA | CB | CG2 | HG22 | 146.0° | 25.8° |
| CA | CB | CG2 | HG23 | 24.2° | 96.5° |
| HA | CA | C | O | 136.0° | 150.0° |
| HA | CA | C | OXT | 37.7° | 30.1° |
| HA | CA | CB | CG1 | 35.2° | 60.1° |
| HA | CA | CB | CG2 | 83.4° | 53.0° |
| HA | CA | CB | HB | 155.4° | 176.6° |
| O | C | OXT | HXT | 6.3° | 0.0° |
| CG1 | CB | CG2 | HB | 114.7° | 118.3° |
| CB | CG1 | CD1 | HG12 | 121.4° | 119.0° |
| CB | CG1 | CD1 | HG13 | 118.2° | 118.8° |
| CB | CG1 | HG12 | HG13 | 123.8° | 122.1° |
| CG1 | CB | CG2 | CD2 | 25.1° | 26.3° |
| CG1 | CB | CG2 | HG22 | 90.8° | 92.5° |
| CG1 | CB | CG2 | HG23 | 147.4° | 145.2° |
| CB | CG1 | CD1 | CE1 | 164.0° | 162.8° |
| CB | CG1 | CD1 | CD2 | 18.7° | 17.1° |
| CG2 | CB | CG1 | CD1 | 26.2° | 26.3° |
| CG2 | CB | CG1 | HG12 | 147.0° | 145.3° |
| CG2 | CB | CG1 | HG13 | 90.4° | 92.6° |
| CB | CG2 | CD2 | HG22 | 118.7° | 118.9° |
| CB | CG2 | CD2 | HG23 | 122.2° | 119.0° |
| CB | CG2 | HG22 | HG23 | 124.2° | 122.3° |
| CB | CG2 | CD2 | CD1 | 14.8° | 17.1° |
| CB | CG2 | CD2 | CE2 | 166.5° | 162.8° |
| HB | CB | CG1 | CD1 | 139.6° | 92.1° |
| HB | CB | CG1 | HG12 | 99.7° | 26.9° |
| HB | CB | CG1 | HG13 | 23.0° | 149.0° |
| HB | CB | CG2 | CD2 | 139.8° | 92.0° |
| HB | CB | CG2 | HG22 | 23.9° | 149.2° |
| HB | CB | CG2 | HG23 | 97.8° | 26.9° |
| CD1 | CG1 | HG12 | HG13 | 120.4° | 122.2° |
| CG1 | CD1 | CD2 | CG2 | 2.6° | 0.0° |
| CG1 | CD1 | CE1 | CD2 | 177.2° | 180.0° |
| CG1 | CD1 | CE1 | CH1 | 176.5° | 180.0° |
| CG1 | CD1 | CE1 | HE1 | 1.6° | 0.0° |
| CG1 | CD1 | CD2 | CE2 | 176.2° | 180.0° |
| HG12 | CG1 | CD1 | CE1 | 42.6° | 43.9° |
| HG12 | CG1 | CD1 | CD2 | 140.0° | 136.1° |
| HG13 | CG1 | CD1 | CE1 | 77.8° | 78.3° |
| HG13 | CG1 | CD1 | CD2 | 99.5° | 101.7° |
| CD2 | CG2 | HG22 | HG23 | 121.8° | 122.0° |
| CG2 | CD2 | CD1 | CE1 | 179.8° | 180.0° |
| CG2 | CD2 | CD1 | CE2 | 178.8° | 180.0° |
| CG2 | CD2 | CE2 | CH2 | 179.9° | 180.0° |
| CG2 | CD2 | CE2 | HE2 | 0.6° | 0.0° |
| HG22 | CG2 | CD2 | CD1 | 103.9° | 101.7° |
| HG22 | CG2 | CD2 | CE2 | 74.8° | 78.3° |
| HG23 | CG2 | CD2 | CD1 | 137.1° | 136.1° |
| HG23 | CG2 | CD2 | CE2 | 44.2° | 43.9° |
| CD1 | CE1 | CH1 | HE1 | 178.1° | 180.0° |
| CD1 | CE1 | CH1 | CH2 | 0.2° | 0.1° |
| CD1 | CE1 | CH1 | HH1 | 178.5° | 179.9° |
| CE1 | CD1 | CD2 | CE2 | 1.4° | 0.0° |
| CD2 | CD1 | CE1 | CH1 | 0.7° | 0.0° |
| CD2 | CD1 | CE1 | HE1 | 178.8° | 179.9° |
| CD1 | CD2 | CE2 | CH2 | 1.6° | 0.0° |
| CD1 | CD2 | CE2 | HE2 | 178.0° | 180.0° |
| CE1 | CH1 | CH2 | HH1 | 178.7° | 179.9° |
| CE1 | CH1 | CH2 | CE2 | 0.4° | 0.1° |
| CE1 | CH1 | CH2 | HH2 | 179.9° | 180.0° |
| HE1 | CE1 | CH1 | CH2 | 178.3° | 179.9° |
| HE1 | CE1 | CH1 | HH1 | 0.4° | 0.0° |
| CH1 | CH2 | CE2 | HH2 | 179.4° | 179.9° |
| CH1 | CH2 | CE2 | CD2 | 1.1° | 0.1° |
| CH1 | CH2 | CE2 | HE2 | 178.5° | 180.0° |
| HH1 | CH1 | CH2 | CE2 | 178.3° | 179.9° |
| HH1 | CH1 | CH2 | HH2 | 1.2° | 0.1° |
| CH2 | CE2 | CD2 | HE2 | 179.6° | 180.0° |
| HH2 | CH2 | CE2 | CD2 | 179.5° | 180.0° |
| HH2 | CH2 | CE2 | HE2 | 1.0° | 0.0° |
