CFD
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 | |
| HA | CA | sing | 1.09Å | 1.10Å | |
| CA | CB2 | sing | 1.53Å | 1.53Å | |
| CA | CB1 | sing | 1.51Å | 1.53Å | |
| C | CD | sing | 1.51Å | 1.54Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| CB2 | HB2 | sing | 1.09Å | 1.10Å | |
| CB2 | HB2A | sing | 1.09Å | 1.10Å | |
| CB2 | HB2B | sing | 1.09Å | 1.10Å | |
| CG1 | CB1 | doub | 1.31Å | 1.36Å | |
| CB1 | CG2 | sing | 1.51Å | 1.53Å | |
| H1G1 | CG1 | sing | 1.08Å | 1.08Å | |
| CG1 | CD | sing | 1.51Å | 1.53Å | |
| CG2 | HG2 | sing | 1.09Å | 1.10Å | |
| CG2 | HG2A | sing | 1.09Å | 1.10Å | |
| CG2 | HG2B | sing | 1.09Å | 1.10Å | |
| CE | CD | sing | 1.53Å | 1.54Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CE | HE | sing | 1.09Å | 1.10Å | |
| CE | HEA | sing | 1.09Å | 1.10Å | |
| CE | HEB | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 13.39Å | |
| 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 | 109.5° | 111.0° |
| N | CA | HA | 108.6° | 109.6° |
| N | CA | CB2 | 109.4° | 109.4° |
| N | CA | CB1 | 111.8° | 109.5° |
| H | N | H2 | 109.5° | 111.1° |
| HA | CA | CB2 | 107.6° | 109.4° |
| HA | CA | CB1 | 107.7° | 109.5° |
| CB2 | CA | CB1 | 111.7° | 109.4° |
| CA | CB2 | HB2 | 109.5° | 109.5° |
| CA | CB2 | HB2A | 109.5° | 109.5° |
| CA | CB2 | HB2B | 109.5° | 109.5° |
| CA | CB1 | CG1 | 118.3° | 120.0° |
| CA | CB1 | CG2 | 117.7° | 120.0° |
| CD | C | O | 119.4° | 120.0° |
| C | CD | CG1 | 112.5° | 109.5° |
| C | CD | CE | 110.3° | 109.5° |
| C | CD | HD | 108.1° | 109.4° |
| CD | C | OXT | 133.1° | 120.0° |
| O | C | OXT | 101.8° | 120.0° |
| HB2 | CB2 | HB2A | 109.4° | 109.4° |
| HB2 | CB2 | HB2B | 109.5° | 109.4° |
| HB2A | CB2 | HB2B | 109.5° | 109.4° |
| CG1 | CB1 | CG2 | 123.9° | 120.0° |
| CB1 | CG1 | H1G1 | 117.9° | 120.0° |
| CB1 | CG1 | CD | 124.1° | 120.0° |
| CB1 | CG2 | HG2 | 109.5° | 109.5° |
| CB1 | CG2 | HG2A | 109.5° | 109.5° |
| CB1 | CG2 | HG2B | 109.5° | 109.4° |
| H1G1 | CG1 | CD | 118.0° | 120.0° |
| CG1 | CD | CE | 109.4° | 109.5° |
| CG1 | CD | HD | 108.3° | 109.5° |
| HG2 | CG2 | HG2A | 109.5° | 109.5° |
| HG2 | CG2 | HG2B | 109.5° | 109.4° |
| HG2A | CG2 | HG2B | 109.5° | 109.5° |
| CE | CD | HD | 108.2° | 109.5° |
| CD | CE | HE | 109.5° | 109.5° |
| CD | CE | HEA | 109.5° | 109.5° |
| CD | CE | HEB | 109.5° | 109.5° |
| HE | CE | HEA | 109.5° | 109.4° |
| HE | CE | HEB | 109.5° | 109.5° |
| HEA | CE | HEB | 109.4° | 109.5° |
| 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 | HA | CB2 | 118.3° | 120.0° |
| N | CA | HA | CB1 | 121.2° | 120.1° |
| N | CA | CB2 | CB1 | 124.2° | 120.0° |
| N | CA | CB2 | HB2 | 180.0° | 60.0° |
| N | CA | CB2 | HB2A | 60.0° | 180.0° |
| N | CA | CB2 | HB2B | 60.0° | 60.0° |
| N | CA | CB1 | CG1 | 120.3° | 125.0° |
| N | CA | CB1 | CG2 | 56.4° | 54.9° |
| H | N | CA | HA | 62.9° | 56.0° |
| H | N | CA | CB2 | 180.0° | 64.0° |
| H | N | CA | CB1 | 55.8° | 176.0° |
| H2 | N | CA | HA | 57.2° | 180.0° |
| H2 | N | CA | CB2 | 60.0° | 60.0° |
| H2 | N | CA | CB1 | 175.8° | 59.9° |
| HA | CA | CB2 | CB1 | 118.0° | 119.9° |
| HA | CA | CB2 | HB2 | 62.2° | 60.0° |
| HA | CA | CB2 | HB2A | 177.8° | 60.0° |
| HA | CA | CB2 | HB2B | 57.8° | 180.0° |
| HA | CA | CB1 | CG1 | 1.1° | 4.9° |
| HA | CA | CB1 | CG2 | 175.5° | 175.0° |
| CA | CB2 | HB2 | HB2A | 120.0° | 120.1° |
| CA | CB2 | HB2 | HB2B | 120.0° | 120.0° |
| CA | CB2 | HB2A | HB2B | 120.0° | 120.0° |
| CB2 | CA | CB1 | CG1 | 116.8° | 115.0° |
| CB2 | CA | CB1 | CG2 | 66.5° | 65.0° |
| CB1 | CA | CB2 | HB2 | 55.7° | 180.0° |
| CB1 | CA | CB2 | HB2A | 64.2° | 60.0° |
| CB1 | CA | CB2 | HB2B | 175.7° | 60.0° |
| CA | CB1 | CG1 | CG2 | 176.4° | 180.0° |
| CA | CB1 | CG1 | H1G1 | 2.5° | 5.5° |
| CA | CB1 | CG1 | CD | 177.5° | 174.5° |
| CA | CB1 | CG2 | HG2 | 180.0° | 95.0° |
| CA | CB1 | CG2 | HG2A | 60.0° | 145.0° |
| CA | CB1 | CG2 | HG2B | 60.0° | 24.9° |
| CD | C | O | OXT | 156.9° | 179.9° |
| C | CD | CG1 | CB1 | 77.3° | 113.9° |
| C | CD | CG1 | H1G1 | 102.7° | 66.1° |
| C | CD | CG1 | CE | 122.9° | 120.1° |
| C | CD | CG1 | HD | 119.4° | 120.0° |
| C | CD | CE | HD | 118.1° | 120.0° |
| C | CD | CE | HE | 180.0° | 60.0° |
| C | CD | CE | HEA | 60.0° | 59.9° |
| C | CD | CE | HEB | 60.0° | 180.0° |
| CD | C | OXT | HXT | 90.0° | 180.0° |
| O | C | CD | CG1 | 173.7° | 0.1° |
| O | C | CD | CE | 63.9° | 120.0° |
| O | C | CD | HD | 54.3° | 120.1° |
| O | C | OXT | HXT | 90.0° | 0.1° |
| HB2 | CB2 | HB2A | HB2B | 120.0° | 119.9° |
| CB1 | CG1 | H1G1 | CD | 180.0° | 180.0° |
| CG1 | CB1 | CG2 | HG2 | 3.6° | 85.0° |
| CG1 | CB1 | CG2 | HG2A | 116.5° | 35.0° |
| CG1 | CB1 | CG2 | HG2B | 123.5° | 155.0° |
| CB1 | CG1 | CD | CE | 159.8° | 126.1° |
| CB1 | CG1 | CD | HD | 42.2° | 6.1° |
| CG2 | CB1 | CG1 | H1G1 | 178.9° | 174.5° |
| CG2 | CB1 | CG1 | CD | 1.1° | 5.5° |
| CB1 | CG2 | HG2 | HG2A | 120.0° | 120.0° |
| CB1 | CG2 | HG2 | HG2B | 120.0° | 119.9° |
| CB1 | CG2 | HG2A | HG2B | 120.0° | 120.0° |
| H1G1 | CG1 | CD | CE | 20.2° | 54.0° |
| H1G1 | CG1 | CD | HD | 137.8° | 174.0° |
| CG1 | CD | CE | HD | 117.7° | 120.0° |
| CG1 | CD | CE | HE | 55.8° | 60.0° |
| CG1 | CD | CE | HEA | 64.2° | 180.0° |
| CG1 | CD | CE | HEB | 175.8° | 60.0° |
| CG1 | CD | C | OXT | 25.5° | 180.0° |
| HG2 | CG2 | HG2A | HG2B | 120.0° | 120.0° |
| CD | CE | HE | HEA | 120.0° | 120.0° |
| CD | CE | HE | HEB | 120.0° | 120.1° |
| CD | CE | HEA | HEB | 120.0° | 120.1° |
| CE | CD | C | OXT | 147.9° | 59.9° |
| HD | CD | CE | HE | 61.9° | 180.0° |
| HD | CD | CE | HEA | 178.1° | 60.0° |
| HD | CD | CE | HEB | 58.1° | 60.0° |
| HD | CD | C | OXT | 94.0° | 60.1° |
| HE | CE | HEA | HEB | 120.0° | 120.0° |
