IAR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.48Å | 1.54Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| CA | N | doub | 1.28Å | 1.34Å | |
| CA | CB | sing | 1.51Å | 1.51Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.47Å | 1.48Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| NE | CZ | sing | 1.38Å | 1.33Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CZ | NH2 | doub | 1.30Å | 1.33Å | |
| NH1 | CZ | sing | 1.38Å | 1.33Å | |
| NH1 | HH11 | sing | 0.97Å | 1.00Å | |
| NH2 | HH21 | sing | 0.97Å | 1.00Å | |
| NH1 | HH12 | sing | 0.97Å | 1.00Å | |
| C | OXT | sing | 1.35Å | 23.96Å | |
| NE | HE | sing | 0.97Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 118.7° | 120.0° |
| C | CA | N | 113.0° | 120.0° |
| C | CA | CB | 120.0° | 120.0° |
| CA | C | OXT | 91.2° | 120.0° |
| H | N | CA | 112.0° | 120.0° |
| O | C | OXT | 80.3° | 120.0° |
| N | CA | CB | 127.0° | 120.0° |
| CA | CB | CG | 109.9° | 109.5° |
| CA | CB | HB2 | 109.3° | 109.4° |
| CA | CB | HB3 | 109.3° | 109.5° |
| CG | CB | HB2 | 109.3° | 109.5° |
| CG | CB | HB3 | 109.3° | 109.5° |
| CB | CG | CD | 112.9° | 109.5° |
| CB | CG | HG2 | 108.4° | 109.5° |
| CB | CG | HG3 | 108.4° | 109.4° |
| HB2 | CB | HB3 | 109.6° | 109.5° |
| NE | CD | HD2 | 109.0° | 109.4° |
| NE | CD | HD3 | 109.0° | 109.5° |
| CD | NE | CZ | 119.5° | 120.0° |
| NE | CD | CG | 110.9° | 109.5° |
| CD | NE | HE | 120.3° | 120.0° |
| HD2 | CD | HD3 | 109.9° | 109.5° |
| HD2 | CD | CG | 109.0° | 109.5° |
| HD3 | CD | CG | 109.0° | 109.5° |
| NE | CZ | NH2 | 124.7° | 119.9° |
| NE | CZ | NH1 | 117.0° | 120.0° |
| CZ | NE | HE | 120.2° | 120.0° |
| CD | CG | HG2 | 108.3° | 109.5° |
| CD | CG | HG3 | 108.4° | 109.5° |
| HG2 | CG | HG3 | 110.6° | 109.5° |
| NH2 | CZ | NH1 | 118.4° | 120.0° |
| CZ | NH2 | HH21 | 112.0° | 120.0° |
| CZ | NH1 | HH11 | 120.0° | 120.0° |
| CZ | NH1 | HH12 | 120.0° | 120.0° |
| HH11 | NH1 | HH12 | 120.0° | 120.0° |
| C | OXT | HXT | 90.0° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | CA | N | H | 176.0° | 180.0° |
| CA | C | O | OXT | 86.0° | 179.8° |
| C | CA | N | CB | 176.0° | 179.9° |
| C | CA | CB | CG | 85.1° | 180.0° |
| C | CA | CB | HB2 | 154.9° | 60.1° |
| C | CA | CB | HB3 | 34.9° | 59.9° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| H | N | CA | CB | 0.0° | 0.1° |
| O | C | CA | N | 160.4° | 179.7° |
| O | C | CA | CB | 23.3° | 0.2° |
| O | C | OXT | HXT | 90.0° | 0.2° |
| N | CA | CB | CG | 90.6° | 0.1° |
| N | CA | CB | HB2 | 29.4° | 120.0° |
| N | CA | CB | HB3 | 149.4° | 120.0° |
| N | CA | C | OXT | 80.9° | 0.1° |
| CA | CB | CG | HB2 | 120.0° | 119.9° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 119.8° | 120.0° |
| CA | CB | CG | CD | 161.7° | 180.0° |
| CA | CB | CG | HG2 | 78.3° | 60.0° |
| CA | CB | CG | HG3 | 41.7° | 60.0° |
| CB | CA | C | OXT | 102.9° | 180.0° |
| CG | CB | HB2 | HB3 | 119.8° | 120.1° |
| CB | CG | CD | NE | 140.4° | 180.0° |
| CB | CG | CD | HD2 | 99.5° | 60.0° |
| CB | CG | CD | HD3 | 20.4° | 60.0° |
| CB | CG | CD | HG2 | 120.0° | 120.0° |
| CB | CG | CD | HG3 | 120.0° | 120.0° |
| CB | CG | HG2 | HG3 | 118.6° | 120.0° |
| HB2 | CB | CG | CD | 41.8° | 60.0° |
| HB2 | CB | CG | HG2 | 161.7° | 179.9° |
| HB2 | CB | CG | HG3 | 78.3° | 60.0° |
| HB3 | CB | CG | CD | 78.2° | 60.0° |
| HB3 | CB | CG | HG2 | 41.7° | 60.0° |
| HB3 | CB | CG | HG3 | 161.7° | 180.0° |
| NE | CD | HD2 | HD3 | 119.4° | 120.0° |
| NE | CD | HD2 | CG | 121.2° | 120.0° |
| NE | CD | HD3 | CG | 121.2° | 120.0° |
| CD | NE | CZ | HE | 180.0° | 180.0° |
| NE | CD | CG | HG2 | 99.6° | 60.0° |
| NE | CD | CG | HG3 | 20.4° | 60.0° |
| CD | NE | CZ | NH2 | 148.7° | 0.0° |
| CD | NE | CZ | NH1 | 31.7° | 180.0° |
| HD2 | CD | HD3 | CG | 119.4° | 120.0° |
| HD2 | CD | NE | CZ | 123.2° | 60.0° |
| HD2 | CD | CG | HG2 | 20.5° | 60.0° |
| HD2 | CD | CG | HG3 | 140.4° | 180.0° |
| HD2 | CD | NE | HE | 56.8° | 120.0° |
| HD3 | CD | NE | CZ | 3.2° | 60.0° |
| HD3 | CD | CG | HG2 | 140.4° | 180.0° |
| HD3 | CD | CG | HG3 | 99.6° | 60.0° |
| HD3 | CD | NE | HE | 176.8° | 120.0° |
| CZ | NE | CD | CG | 116.8° | 180.0° |
| NE | CZ | NH2 | NH1 | 179.6° | 180.0° |
| NE | CZ | NH1 | HH11 | 179.6° | 0.0° |
| NE | CZ | NH2 | HH21 | 179.6° | 180.0° |
| NE | CZ | NH1 | HH12 | 0.4° | 180.0° |
| CD | CG | HG2 | HG3 | 118.6° | 120.0° |
| CG | CD | NE | HE | 63.2° | 0.0° |
| NH2 | CZ | NH1 | HH11 | 0.0° | 180.0° |
| NH2 | CZ | NH1 | HH12 | 180.0° | 0.0° |
| NH2 | CZ | NE | HE | 31.4° | 180.0° |
| CZ | NH1 | HH11 | HH12 | 180.0° | 180.0° |
| NH1 | CZ | NH2 | HH21 | 0.0° | 0.0° |
| NH1 | CZ | NE | HE | 148.2° | 0.0° |
