I58
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| C | O | doub | 1.21Å | 1.35Å | |
| C | OXT | sing | 1.34Å | 1.31Å | |
| C | CA | sing | 1.51Å | 1.58Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.55Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CG | F | sing | 1.40Å | 1.38Å | |
| CG | CD | sing | 1.53Å | 1.55Å | |
| CG | HG | sing | 1.09Å | 1.11Å | |
| CD | CE | sing | 1.53Å | 1.53Å | |
| CD | HD2 | sing | 1.09Å | 1.12Å | |
| CD | HD3 | sing | 1.09Å | 1.11Å | |
| CE | NZ | sing | 1.46Å | 1.44Å | |
| CE | HE2 | sing | 1.09Å | 1.11Å | |
| CE | HE3 | sing | 1.09Å | 1.11Å | |
| NZ | CX | sing | 1.37Å | 1.38Å | |
| NZ | HZ | sing | 0.97Å | 1.02Å | |
| CX | NX | doub | 1.29Å | 1.35Å | |
| CX | CT | sing | 1.51Å | 1.60Å | |
| NX | HNX | sing | 0.97Å | 1.02Å | |
| CT | HT1 | sing | 1.09Å | 1.11Å | |
| CT | HT2 | sing | 1.09Å | 1.12Å | |
| CT | HT3 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 112.6° | 106.7° |
| CA | N | H2 | 108.5° | 106.7° |
| N | CA | C | 108.5° | 109.5° |
| N | CA | CB | 105.5° | 109.5° |
| N | CA | HA | 114.5° | 109.5° |
| H | N | H2 | 112.6° | 106.7° |
| O | C | OXT | 120.3° | 120.0° |
| O | C | CA | 125.4° | 120.0° |
| OXT | C | CA | 114.3° | 120.0° |
| C | OXT | HXT | 120.3° | 120.0° |
| C | CA | CB | 114.4° | 109.5° |
| C | CA | HA | 105.6° | 109.5° |
| CB | CA | HA | 108.6° | 109.5° |
| CA | CB | CG | 117.7° | 109.5° |
| CA | CB | HB2 | 109.2° | 109.4° |
| CA | CB | HB3 | 109.2° | 109.5° |
| CG | CB | HB2 | 109.2° | 109.5° |
| CG | CB | HB3 | 109.2° | 109.5° |
| CB | CG | F | 106.6° | 109.5° |
| CB | CG | CD | 111.7° | 109.4° |
| CB | CG | HG | 110.1° | 109.5° |
| HB2 | CB | HB3 | 100.9° | 109.5° |
| F | CG | CD | 110.0° | 109.5° |
| F | CG | HG | 111.8° | 109.5° |
| CD | CG | HG | 106.7° | 109.5° |
| CG | CD | CE | 113.8° | 109.5° |
| CG | CD | HD2 | 110.6° | 109.5° |
| CG | CD | HD3 | 110.6° | 109.5° |
| CE | CD | HD2 | 110.6° | 109.4° |
| CE | CD | HD3 | 110.6° | 109.5° |
| CD | CE | NZ | 110.8° | 109.5° |
| CD | CE | HE2 | 111.7° | 109.4° |
| CD | CE | HE3 | 111.7° | 109.5° |
| HD2 | CD | HD3 | 99.6° | 109.5° |
| NZ | CE | HE2 | 111.7° | 109.5° |
| NZ | CE | HE3 | 111.7° | 109.5° |
| CE | NZ | CX | 118.9° | 120.0° |
| CE | NZ | HZ | 108.8° | 120.0° |
| HE2 | CE | HE3 | 98.7° | 109.4° |
| CX | NZ | HZ | 108.8° | 120.0° |
| NZ | CX | NX | 120.3° | 120.0° |
| NZ | CX | CT | 119.1° | 120.0° |
| NX | CX | CT | 120.6° | 120.0° |
| CX | NX | HNX | 93.0° | 119.9° |
| CX | CT | HT1 | 108.7° | 109.5° |
| CX | CT | HT2 | 119.1° | 109.5° |
| CX | CT | HT3 | 108.7° | 109.5° |
| HT1 | CT | HT2 | 108.7° | 109.5° |
| HT1 | CT | HT3 | 101.3° | 109.5° |
| HT2 | CT | HT3 | 108.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 123.0° | 113.8° |
| N | CA | C | O | 173.7° | 20.0° |
| N | CA | C | OXT | 6.4° | 160.0° |
| N | CA | C | CB | 117.5° | 120.0° |
| N | CA | C | HA | 123.2° | 120.0° |
| N | CA | CB | HA | 123.1° | 120.0° |
| N | CA | CB | CG | 98.5° | 65.0° |
| N | CA | CB | HB2 | 136.2° | 175.0° |
| N | CA | CB | HB3 | 26.7° | 55.0° |
| H | N | CA | C | 54.7° | 60.0° |
| H | N | CA | CB | 68.3° | 60.0° |
| H | N | CA | HA | 172.4° | 180.0° |
| H2 | N | CA | C | 180.0° | 173.8° |
| H2 | N | CA | CB | 57.0° | 53.8° |
| H2 | N | CA | HA | 62.3° | 66.2° |
| O | C | OXT | CA | 179.9° | 180.0° |
| O | C | OXT | HXT | 180.0° | 0.0° |
| O | C | CA | CB | 68.8° | 100.0° |
| O | C | CA | HA | 50.5° | 140.0° |
| OXT | C | CA | CB | 111.1° | 80.0° |
| OXT | C | CA | HA | 129.6° | 40.0° |
| CA | C | OXT | HXT | 0.1° | 180.0° |
| C | CA | CB | HA | 117.7° | 120.0° |
| C | CA | CB | CG | 142.3° | 175.0° |
| C | CA | CB | HB2 | 17.0° | 55.0° |
| C | CA | CB | HB3 | 92.5° | 65.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 115.0° | 120.0° |
| CA | CB | CG | F | 143.9° | 65.0° |
| CA | CB | CG | CD | 95.8° | 175.0° |
| CA | CB | CG | HG | 22.5° | 55.0° |
| HA | CA | CB | CG | 24.6° | 55.0° |
| HA | CA | CB | HB2 | 100.7° | 65.0° |
| HA | CA | CB | HB3 | 149.9° | 175.0° |
| CG | CB | HB2 | HB3 | 115.0° | 120.0° |
| CB | CG | F | CD | 121.3° | 120.0° |
| CB | CG | F | HG | 120.3° | 120.0° |
| CB | CG | CD | HG | 120.3° | 120.0° |
| CB | CG | CD | CE | 83.7° | 175.0° |
| CB | CG | CD | HD2 | 41.6° | 65.0° |
| CB | CG | CD | HD3 | 151.0° | 55.0° |
| HB2 | CB | CG | F | 18.7° | 54.9° |
| HB2 | CB | CG | CD | 138.9° | 65.0° |
| HB2 | CB | CG | HG | 102.8° | 175.0° |
| HB3 | CB | CG | F | 90.8° | 174.9° |
| HB3 | CB | CG | CD | 29.4° | 55.0° |
| HB3 | CB | CG | HG | 147.7° | 65.0° |
| F | CG | CD | HG | 121.4° | 120.0° |
| F | CG | CD | CE | 34.5° | 65.0° |
| F | CG | CD | HD2 | 159.8° | 55.0° |
| F | CG | CD | HD3 | 90.8° | 175.0° |
| CG | CD | CE | HD2 | 125.3° | 120.0° |
| CG | CD | CE | HD3 | 125.3° | 120.0° |
| CG | CD | HD2 | HD3 | 116.5° | 120.0° |
| CG | CD | CE | NZ | 67.3° | 180.0° |
| CG | CD | CE | HE2 | 167.4° | 60.0° |
| CG | CD | CE | HE3 | 57.9° | 59.9° |
| HG | CG | CD | CE | 156.0° | 55.0° |
| HG | CG | CD | HD2 | 78.7° | 175.0° |
| HG | CG | CD | HD3 | 30.7° | 65.0° |
| CE | CD | HD2 | HD3 | 116.5° | 120.0° |
| CD | CE | NZ | HE2 | 125.2° | 120.0° |
| CD | CE | NZ | HE3 | 125.3° | 120.1° |
| CD | CE | HE2 | HE3 | 117.7° | 120.0° |
| CD | CE | NZ | CX | 169.7° | 180.0° |
| CD | CE | NZ | HZ | 44.4° | 0.0° |
| HD2 | CD | CE | NZ | 58.0° | 60.0° |
| HD2 | CD | CE | HE2 | 67.3° | 180.0° |
| HD2 | CD | CE | HE3 | 176.8° | 60.1° |
| HD3 | CD | CE | NZ | 167.4° | 60.0° |
| HD3 | CD | CE | HE2 | 42.1° | 60.0° |
| HD3 | CD | CE | HE3 | 67.3° | 180.0° |
| NZ | CE | HE2 | HE3 | 117.6° | 120.0° |
| CE | NZ | CX | HZ | 125.3° | 180.0° |
| CE | NZ | CX | NX | 161.5° | 0.0° |
| CE | NZ | CX | CT | 18.7° | 180.0° |
| HE2 | CE | NZ | CX | 65.1° | 60.0° |
| HE2 | CE | NZ | HZ | 169.7° | 120.0° |
| HE3 | CE | NZ | CX | 44.4° | 60.0° |
| HE3 | CE | NZ | HZ | 80.9° | 120.0° |
| NZ | CX | NX | CT | 179.7° | 180.0° |
| NZ | CX | NX | HNX | 0.1° | 180.0° |
| NZ | CX | CT | HT1 | 54.7° | 180.0° |
| NZ | CX | CT | HT2 | 180.0° | 60.0° |
| NZ | CX | CT | HT3 | 54.7° | 60.0° |
| HZ | NZ | CX | NX | 73.2° | 180.0° |
| HZ | NZ | CX | CT | 106.5° | 0.0° |
| NX | CX | CT | HT1 | 125.5° | 0.0° |
| NX | CX | CT | HT2 | 0.3° | 120.0° |
| NX | CX | CT | HT3 | 125.0° | 120.0° |
| CT | CX | NX | HNX | 179.6° | 0.0° |
| CX | CT | HT1 | HT2 | 131.1° | 120.0° |
| CX | CT | HT1 | HT3 | 114.4° | 120.0° |
| CX | CT | HT2 | HT3 | 125.3° | 120.0° |
| HT1 | CT | HT2 | HT3 | 109.5° | 120.0° |
