AGM
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 | 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 | 1.53Å | 1.53Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.54Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | CE2 | sing | 1.53Å | 1.53Å | |
| CD | NE1 | sing | 1.46Å | 1.46Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CE2 | HE21 | sing | 1.09Å | 1.10Å | |
| CE2 | HE22 | sing | 1.09Å | 1.10Å | |
| CE2 | HE23 | sing | 1.09Å | 1.10Å | |
| NE1 | CZ | sing | 1.37Å | 1.33Å | |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| CZ | NH1 | sing | 1.33Å | 1.33Å | |
| CZ | NH2 | doub | 1.33Å | 1.33Å | |
| NH1 | HH11 | sing | 0.97Å | 1.00Å | |
| NH1 | HH12 | sing | 0.97Å | 1.00Å | |
| NH2 | HH21 | sing | 0.97Å | 1.00Å | |
| NH2 | HH22 | sing | 0.97Å | 1.00Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
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 | 110.3° | 109.5° |
| N | CA | C | 109.4° | 109.4° |
| N | CA | HA | 109.6° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CB | CA | C | 111.3° | 109.5° |
| CB | CA | HA | 107.6° | 109.5° |
| CA | CB | CG | 115.5° | 109.5° |
| CA | CB | HB2 | 107.5° | 109.5° |
| CA | CB | HB3 | 106.1° | 109.5° |
| C | CA | HA | 108.6° | 109.5° |
| CA | C | O | 121.2° | 120.0° |
| CA | C | OXT | 115.3° | 120.0° |
| CG | CB | HB2 | 107.5° | 109.5° |
| CG | CB | HB3 | 106.2° | 109.5° |
| CB | CG | CD | 114.0° | 109.5° |
| CB | CG | HG2 | 108.0° | 109.5° |
| CB | CG | HG3 | 107.0° | 109.5° |
| HB2 | CB | HB3 | 114.3° | 109.4° |
| CD | CG | HG2 | 108.0° | 109.5° |
| CD | CG | HG3 | 107.0° | 109.5° |
| CG | CD | CE2 | 111.3° | 109.5° |
| CG | CD | NE1 | 111.0° | 109.5° |
| CG | CD | HD | 107.4° | 109.5° |
| HG2 | CG | HG3 | 113.1° | 109.4° |
| CE2 | CD | NE1 | 110.2° | 109.5° |
| CE2 | CD | HD | 108.2° | 109.4° |
| CD | CE2 | HE21 | 109.5° | 109.5° |
| CD | CE2 | HE22 | 109.5° | 109.4° |
| CD | CE2 | HE23 | 109.5° | 109.5° |
| NE1 | CD | HD | 108.5° | 109.5° |
| CD | NE1 | CZ | 122.6° | 120.0° |
| CD | NE1 | HE1 | 118.7° | 120.0° |
| HE21 | CE2 | HE22 | 109.5° | 109.5° |
| HE21 | CE2 | HE23 | 109.4° | 109.5° |
| HE22 | CE2 | HE23 | 109.5° | 109.5° |
| CZ | NE1 | HE1 | 118.7° | 120.0° |
| NE1 | CZ | NH1 | 119.7° | 120.1° |
| NE1 | CZ | NH2 | 120.6° | 120.0° |
| NH1 | CZ | NH2 | 119.7° | 120.0° |
| CZ | NH1 | HH11 | 110.6° | 120.0° |
| CZ | NH1 | HH12 | 124.7° | 120.1° |
| CZ | NH2 | HH21 | 110.6° | 120.0° |
| CZ | NH2 | HH22 | 124.7° | 120.0° |
| HH11 | NH1 | HH12 | 124.7° | 120.0° |
| HH21 | NH2 | HH22 | 124.7° | 120.0° |
| O | C | OXT | 123.5° | 120.0° |
| C | OXT | HXT | 109.5° | 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 | 121.6° | 120.0° |
| N | CA | CB | HA | 119.5° | 120.1° |
| N | CA | C | HA | 119.6° | 120.0° |
| N | CA | CB | CG | 44.4° | 65.0° |
| N | CA | CB | HB2 | 164.4° | 55.0° |
| N | CA | CB | HB3 | 72.9° | 175.0° |
| N | CA | C | O | 138.2° | 20.0° |
| N | CA | C | OXT | 45.3° | 160.0° |
| H | N | CA | CB | 114.0° | 176.0° |
| H | N | CA | C | 123.3° | 64.0° |
| H | N | CA | HA | 4.3° | 56.0° |
| H2 | N | CA | CB | 126.0° | 59.9° |
| H2 | N | CA | C | 3.3° | 60.0° |
| H2 | N | CA | HA | 115.7° | 180.0° |
| CB | CA | C | HA | 118.3° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 117.3° | 120.0° |
| CA | CB | HB2 | HB3 | 117.5° | 120.0° |
| CA | CB | CG | CD | 163.2° | NaN° |
| CA | CB | CG | HG2 | 43.2° | 60.0° |
| CA | CB | CG | HG3 | 78.8° | 60.0° |
| CB | CA | C | O | 16.1° | 100.0° |
| CB | CA | C | OXT | 167.4° | 80.0° |
| C | CA | CB | CG | 77.2° | 175.0° |
| C | CA | CB | HB2 | 42.8° | 65.0° |
| C | CA | CB | HB3 | 165.5° | 55.0° |
| CA | C | O | OXT | 176.2° | 180.0° |
| CA | C | OXT | HXT | 176.5° | 180.0° |
| HA | CA | CB | CG | 163.9° | 55.0° |
| HA | CA | CB | HB2 | 76.1° | 175.0° |
| HA | CA | CB | HB3 | 46.6° | 65.0° |
| HA | CA | C | O | 102.2° | 140.0° |
| HA | CA | C | OXT | 74.3° | 40.0° |
| CG | CB | HB2 | HB3 | 117.6° | 120.0° |
| CB | CG | CD | HG2 | 120.0° | 120.0° |
| CB | CG | CD | HG3 | 118.0° | 120.0° |
| CB | CG | HG2 | HG3 | 118.2° | 120.0° |
| CB | CG | CD | CE2 | 63.6° | 175.0° |
| CB | CG | CD | NE1 | 173.2° | 65.0° |
| CB | CG | CD | HD | 54.7° | 55.0° |
| HB2 | CB | CG | CD | 76.8° | 60.0° |
| HB2 | CB | CG | HG2 | 163.2° | 180.0° |
| HB2 | CB | CG | HG3 | 41.2° | 60.0° |
| HB3 | CB | CG | CD | 45.9° | 60.0° |
| HB3 | CB | CG | HG2 | 74.1° | 60.0° |
| HB3 | CB | CG | HG3 | 163.9° | 180.0° |
| CD | CG | HG2 | HG3 | 118.1° | 120.0° |
| CG | CD | CE2 | NE1 | 123.6° | 120.0° |
| CG | CD | CE2 | HD | 117.8° | 120.0° |
| CG | CD | NE1 | HD | 117.8° | 120.0° |
| CG | CD | CE2 | HE21 | 102.0° | 180.0° |
| CG | CD | CE2 | HE22 | 18.0° | 60.0° |
| CG | CD | CE2 | HE23 | 138.0° | 60.0° |
| CG | CD | NE1 | CZ | 78.7° | 155.0° |
| CG | CD | NE1 | HE1 | 101.3° | 25.0° |
| HG2 | CG | CD | CE2 | 176.4° | 65.0° |
| HG2 | CG | CD | NE1 | 53.2° | 55.0° |
| HG2 | CG | CD | HD | 65.3° | 175.0° |
| HG3 | CG | CD | CE2 | 54.4° | 55.0° |
| HG3 | CG | CD | NE1 | 68.8° | 175.0° |
| HG3 | CG | CD | HD | 172.7° | 65.0° |
| CE2 | CD | NE1 | HD | 118.3° | 120.0° |
| CD | CE2 | HE21 | HE22 | 120.0° | 119.9° |
| CD | CE2 | HE21 | HE23 | 120.0° | 120.0° |
| CD | CE2 | HE22 | HE23 | 120.0° | 120.0° |
| CE2 | CD | NE1 | CZ | 157.5° | 85.0° |
| CE2 | CD | NE1 | HE1 | 22.5° | 95.0° |
| NE1 | CD | CE2 | HE21 | 21.6° | 60.0° |
| NE1 | CD | CE2 | HE22 | 141.6° | 60.0° |
| NE1 | CD | CE2 | HE23 | 98.4° | 180.0° |
| CD | NE1 | CZ | HE1 | 180.0° | 180.0° |
| CD | NE1 | CZ | NH1 | 179.3° | 0.0° |
| CD | NE1 | CZ | NH2 | 1.3° | 180.0° |
| HD | CD | CE2 | HE21 | 140.1° | 60.0° |
| HD | CD | CE2 | HE22 | 99.9° | NaN° |
| HD | CD | CE2 | HE23 | 20.2° | 60.0° |
| HD | CD | NE1 | CZ | 39.2° | 35.0° |
| HD | CD | NE1 | HE1 | 140.8° | 145.0° |
| HE21 | CE2 | HE22 | HE23 | 119.9° | 120.1° |
| NE1 | CZ | NH1 | NH2 | 179.4° | 180.0° |
| NE1 | CZ | NH1 | HH11 | 180.0° | 0.0° |
| NE1 | CZ | NH1 | HH12 | 0.0° | 180.0° |
| NE1 | CZ | NH2 | HH21 | 0.3° | 0.0° |
| NE1 | CZ | NH2 | HH22 | 179.7° | 180.0° |
| HE1 | NE1 | CZ | NH1 | 0.7° | 180.0° |
| HE1 | NE1 | CZ | NH2 | 178.7° | 0.1° |
| CZ | NH1 | HH11 | HH12 | 180.0° | 180.0° |
| NH1 | CZ | NH2 | HH21 | 179.7° | 180.0° |
| NH1 | CZ | NH2 | HH22 | 0.3° | 0.0° |
| NH2 | CZ | NH1 | HH11 | 0.7° | 180.0° |
| NH2 | CZ | NH1 | HH12 | 179.4° | 0.0° |
| CZ | NH2 | HH21 | HH22 | 180.0° | 179.9° |
| O | C | OXT | HXT | 0.0° | 0.0° |
