AEI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.49Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.59Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB | CG2 | sing | 1.53Å | 1.50Å | |
| CB | OG1 | sing | 1.45Å | 1.44Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | sing | 1.09Å | 1.10Å | |
| OG1 | CD | sing | 1.34Å | 1.41Å | |
| CD | OE1 | doub | 1.21Å | 1.23Å | |
| CD | CE2 | sing | 1.51Å | 1.52Å | |
| CE2 | CZ | sing | 1.53Å | 1.52Å | |
| CE2 | HE22 | sing | 1.09Å | 1.10Å | |
| CE2 | HE23 | sing | 1.09Å | 1.10Å | |
| CZ | NH1 | sing | 1.47Å | 1.48Å | |
| CZ | CH2 | sing | 1.51Å | 1.50Å | |
| CZ | HZ | sing | 1.09Å | 1.10Å | |
| NH1 | HH11 | sing | 1.01Å | 1.00Å | |
| NH1 | HH12 | sing | 1.01Å | 1.00Å | |
| CH2 | OT1 | doub | 1.21Å | 1.24Å | |
| CH2 | OT2 | sing | 1.34Å | 1.24Å | |
| OT2 | HOT | 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 | 109.5° | 111.0° |
| N | CA | C | 111.3° | 109.5° |
| N | CA | CB | 110.4° | 109.5° |
| N | CA | HA | 109.7° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| C | CA | CB | 108.1° | 109.5° |
| C | CA | HA | 108.9° | 109.5° |
| CA | C | O | 121.6° | 120.0° |
| CA | C | OXT | 113.8° | 119.9° |
| CB | CA | HA | 108.3° | 109.4° |
| CA | CB | CG2 | 111.9° | 109.5° |
| CA | CB | OG1 | 110.5° | 109.5° |
| CA | CB | HB | 107.1° | 109.5° |
| O | C | OXT | 124.6° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CG2 | CB | OG1 | 110.0° | 109.5° |
| CG2 | CB | HB | 108.2° | 109.5° |
| CB | CG2 | HG21 | 109.5° | 109.5° |
| CB | CG2 | HG22 | 109.5° | 109.5° |
| CB | CG2 | HG23 | 109.5° | 109.5° |
| OG1 | CB | HB | 109.0° | 109.5° |
| CB | OG1 | CD | 120.4° | 117.0° |
| HG21 | CG2 | HG22 | 109.5° | 109.4° |
| HG21 | CG2 | HG23 | 109.4° | 109.5° |
| HG22 | CG2 | HG23 | 109.5° | 109.5° |
| OG1 | CD | OE1 | 123.1° | 120.0° |
| OG1 | CD | CE2 | 119.0° | 120.0° |
| OE1 | CD | CE2 | 117.8° | 120.0° |
| CD | CE2 | CZ | 112.9° | 109.5° |
| CD | CE2 | HE22 | 108.6° | 109.5° |
| CD | CE2 | HE23 | 108.6° | 109.5° |
| CZ | CE2 | HE22 | 108.6° | 109.5° |
| CZ | CE2 | HE23 | 108.6° | 109.4° |
| CE2 | CZ | NH1 | 110.8° | 109.5° |
| CE2 | CZ | CH2 | 109.7° | 109.5° |
| CE2 | CZ | HZ | 111.3° | 109.5° |
| HE22 | CE2 | HE23 | 109.5° | 109.5° |
| NH1 | CZ | CH2 | 101.0° | 109.5° |
| NH1 | CZ | HZ | 111.9° | 109.5° |
| CZ | NH1 | HH11 | 109.5° | 111.0° |
| CZ | NH1 | HH12 | 109.5° | 111.0° |
| CH2 | CZ | HZ | 111.6° | 109.4° |
| CZ | CH2 | OT1 | 118.1° | 120.0° |
| CZ | CH2 | OT2 | 116.6° | 120.0° |
| HH11 | NH1 | HH12 | 109.5° | 111.0° |
| OT1 | CH2 | OT2 | 125.2° | 120.0° |
| CH2 | OT2 | HOT | 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° | 123.9° |
| N | CA | C | CB | 121.4° | 120.0° |
| N | CA | C | HA | 121.1° | 120.0° |
| N | CA | CB | HA | 120.1° | 120.0° |
| N | CA | C | O | 149.9° | 20.0° |
| N | CA | C | OXT | 32.0° | 160.0° |
| N | CA | CB | CG2 | 176.6° | 55.0° |
| N | CA | CB | OG1 | 60.4° | 65.0° |
| N | CA | CB | HB | 58.1° | 175.0° |
| H | N | CA | C | 180.0° | 60.0° |
| H | N | CA | CB | 59.9° | 60.0° |
| H | N | CA | HA | 59.3° | 180.0° |
| H2 | N | CA | C | 60.0° | 176.1° |
| H2 | N | CA | CB | 179.9° | 63.9° |
| H2 | N | CA | HA | 60.6° | 56.0° |
| C | CA | CB | HA | 117.9° | 120.1° |
| CA | C | O | OXT | 177.9° | 180.0° |
| CA | C | OXT | HXT | 178.0° | 180.0° |
| C | CA | CB | CG2 | 54.6° | 175.0° |
| C | CA | CB | OG1 | 177.5° | 55.0° |
| C | CA | CB | HB | 63.9° | 65.0° |
| CB | CA | C | O | 88.7° | 100.0° |
| CB | CA | C | OXT | 89.4° | 80.0° |
| CA | CB | CG2 | OG1 | 123.3° | 120.0° |
| CA | CB | CG2 | HB | 117.8° | 120.0° |
| CA | CB | OG1 | HB | 117.5° | 120.0° |
| CA | CB | CG2 | HG21 | 180.0° | 60.0° |
| CA | CB | CG2 | HG22 | 60.0° | 180.0° |
| CA | CB | CG2 | HG23 | 60.0° | 60.0° |
| CA | CB | OG1 | CD | 79.4° | 150.0° |
| HA | CA | C | O | 28.8° | 140.0° |
| HA | CA | C | OXT | 153.1° | 40.0° |
| HA | CA | CB | CG2 | 63.3° | 65.0° |
| HA | CA | CB | OG1 | 59.6° | 175.0° |
| HA | CA | CB | HB | 178.2° | 55.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CG2 | CB | OG1 | HB | 118.5° | 120.0° |
| CB | CG2 | HG21 | HG22 | 120.0° | 120.0° |
| CB | CG2 | HG21 | HG23 | 120.0° | 120.0° |
| CB | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| CG2 | CB | OG1 | CD | 156.5° | 90.0° |
| OG1 | CB | CG2 | HG21 | 56.7° | 60.0° |
| OG1 | CB | CG2 | HG22 | 176.7° | 60.0° |
| OG1 | CB | CG2 | HG23 | 63.3° | 180.0° |
| CB | OG1 | CD | OE1 | 3.9° | 0.0° |
| CB | OG1 | CD | CE2 | 179.8° | 180.0° |
| HB | CB | CG2 | HG21 | 62.2° | 180.0° |
| HB | CB | CG2 | HG22 | 57.8° | 60.0° |
| HB | CB | CG2 | HG23 | 177.8° | 60.0° |
| HB | CB | OG1 | CD | 38.1° | 30.0° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| OG1 | CD | OE1 | CE2 | 176.3° | 180.0° |
| OG1 | CD | CE2 | CZ | 98.7° | 180.0° |
| OG1 | CD | CE2 | HE22 | 140.8° | 60.0° |
| OG1 | CD | CE2 | HE23 | 21.8° | 60.0° |
| OE1 | CD | CE2 | CZ | 84.8° | 0.0° |
| OE1 | CD | CE2 | HE22 | 35.7° | 120.0° |
| OE1 | CD | CE2 | HE23 | 154.7° | 120.0° |
| CD | CE2 | CZ | HE22 | 120.5° | 120.0° |
| CD | CE2 | CZ | HE23 | 120.5° | 120.0° |
| CD | CE2 | HE22 | HE23 | 118.4° | 120.0° |
| CD | CE2 | CZ | NH1 | 179.1° | 65.0° |
| CD | CE2 | CZ | CH2 | 70.2° | 175.0° |
| CD | CE2 | CZ | HZ | 53.9° | 55.0° |
| CZ | CE2 | HE22 | HE23 | 118.4° | 120.0° |
| CE2 | CZ | NH1 | CH2 | 116.2° | 120.0° |
| CE2 | CZ | NH1 | HZ | 124.9° | 120.0° |
| CE2 | CZ | CH2 | HZ | 123.9° | 120.0° |
| CE2 | CZ | NH1 | HH11 | 180.0° | 176.1° |
| CE2 | CZ | NH1 | HH12 | 60.0° | 60.0° |
| CE2 | CZ | CH2 | OT1 | 112.0° | 100.0° |
| CE2 | CZ | CH2 | OT2 | 71.6° | 80.0° |
| HE22 | CE2 | CZ | NH1 | 60.4° | 175.0° |
| HE22 | CE2 | CZ | CH2 | 50.3° | 55.0° |
| HE22 | CE2 | CZ | HZ | 174.4° | 65.0° |
| HE23 | CE2 | CZ | NH1 | 58.6° | 55.0° |
| HE23 | CE2 | CZ | CH2 | 169.3° | 65.0° |
| HE23 | CE2 | CZ | HZ | 66.6° | 175.0° |
| NH1 | CZ | CH2 | HZ | 119.1° | 120.0° |
| CZ | NH1 | HH11 | HH12 | 120.0° | 123.9° |
| NH1 | CZ | CH2 | OT1 | 130.9° | 20.0° |
| NH1 | CZ | CH2 | OT2 | 45.5° | 160.0° |
| CH2 | CZ | NH1 | HH11 | 63.8° | 63.9° |
| CH2 | CZ | NH1 | HH12 | 56.3° | 60.0° |
| CZ | CH2 | OT1 | OT2 | 176.0° | 180.0° |
| CZ | CH2 | OT2 | HOT | 176.1° | 180.0° |
| HZ | CZ | NH1 | HH11 | 55.1° | 56.0° |
| HZ | CZ | NH1 | HH12 | 175.1° | 179.9° |
| HZ | CZ | CH2 | OT1 | 11.8° | 140.0° |
| HZ | CZ | CH2 | OT2 | 164.5° | 40.0° |
| OT1 | CH2 | OT2 | HOT | 0.0° | 0.1° |
