I4G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD2 | CG | sing | 1.53Å | 1.54Å | |
| OXT | C | sing | 1.34Å | 1.33Å | |
| CB | CG | sing | 1.53Å | 1.55Å | |
| CB | N | sing | 1.47Å | 1.47Å | |
| CG | CD1 | sing | 1.53Å | 1.55Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD2 | HD23 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CA | HA3 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD2 | CG | CB | 109.8° | 109.5° |
| CD2 | CG | CD1 | 109.7° | 109.5° |
| CD2 | CG | HG | 108.7° | 109.5° |
| CG | CD2 | HD23 | 109.5° | 109.4° |
| CG | CD2 | HD22 | 109.5° | 109.4° |
| CG | CD2 | HD21 | 109.5° | 109.5° |
| OXT | C | O | 123.0° | 120.0° |
| OXT | C | CA | 114.8° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CG | CB | N | 111.7° | 109.5° |
| CB | CG | CD1 | 111.4° | 109.5° |
| CG | CB | HB2 | 108.9° | 109.4° |
| CG | CB | HB3 | 108.9° | 109.5° |
| CB | CG | HG | 108.6° | 109.5° |
| CB | N | CA | 114.0° | 111.0° |
| CB | N | H | 108.3° | 111.0° |
| N | CB | HB2 | 108.9° | 109.5° |
| N | CB | HB3 | 108.9° | 109.5° |
| CD1 | CG | HG | 108.6° | 109.5° |
| CG | CD1 | HD13 | 109.5° | 109.5° |
| CG | CD1 | HD11 | 109.5° | 109.5° |
| CG | CD1 | HD12 | 109.5° | 109.4° |
| N | CA | C | 114.9° | 109.5° |
| CA | N | H | 108.3° | 111.0° |
| N | CA | HA2 | 108.1° | 109.5° |
| N | CA | HA3 | 108.1° | 109.5° |
| O | C | CA | 122.2° | 120.0° |
| C | CA | HA2 | 108.1° | 109.4° |
| C | CA | HA3 | 108.1° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HD13 | CD1 | HD11 | 109.5° | 109.5° |
| HD13 | CD1 | HD12 | 109.5° | 109.4° |
| HD11 | CD1 | HD12 | 109.4° | 109.5° |
| HD23 | CD2 | HD22 | 109.5° | 109.5° |
| HD23 | CD2 | HD21 | 109.4° | 109.5° |
| HD22 | CD2 | HD21 | 109.5° | 109.5° |
| HA2 | CA | HA3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD2 | CG | CB | CD1 | 121.7° | 120.0° |
| CD2 | CG | CB | HG | 118.7° | 120.0° |
| CD2 | CG | CB | N | 156.9° | 175.0° |
| CD2 | CG | CD1 | HG | 118.6° | 120.0° |
| CD2 | CG | CB | HB2 | 36.6° | 65.0° |
| CD2 | CG | CB | HB3 | 82.7° | 55.0° |
| CD2 | CG | CD1 | HD13 | 180.0° | 179.9° |
| CD2 | CG | CD1 | HD11 | 60.0° | 60.0° |
| CD2 | CG | CD1 | HD12 | 60.0° | 60.0° |
| CG | CD2 | HD23 | HD22 | 120.0° | 120.0° |
| CG | CD2 | HD23 | HD21 | 120.0° | 120.0° |
| CG | CD2 | HD22 | HD21 | 120.0° | 120.0° |
| OXT | C | CA | N | 33.3° | 180.0° |
| OXT | C | O | CA | 178.3° | 179.9° |
| OXT | C | CA | HA2 | 154.1° | 60.1° |
| OXT | C | CA | HA3 | 87.4° | 59.9° |
| CG | CB | N | HB2 | 120.3° | 120.0° |
| CG | CB | N | HB3 | 120.4° | 120.0° |
| CB | CG | CD1 | HG | 119.6° | 120.0° |
| CG | CB | N | CA | 96.0° | 180.0° |
| CG | CB | N | H | 24.7° | 56.1° |
| CG | CB | HB2 | HB3 | 119.0° | 120.0° |
| CB | CG | CD1 | HD13 | 58.2° | 60.0° |
| CB | CG | CD1 | HD11 | 61.8° | 60.0° |
| CB | CG | CD1 | HD12 | 178.2° | 180.0° |
| CB | CG | CD2 | HD23 | 180.0° | 60.0° |
| CB | CG | CD2 | HD22 | 60.0° | 180.0° |
| CB | CG | CD2 | HD21 | 60.0° | 60.0° |
| N | CB | CG | CD1 | 81.4° | 65.0° |
| CB | N | CA | H | 120.6° | 123.9° |
| CB | N | CA | C | 51.4° | 180.0° |
| N | CB | HB2 | HB3 | 119.0° | 120.0° |
| N | CB | CG | HG | 38.2° | 55.0° |
| CB | N | CA | HA2 | 69.4° | 60.0° |
| CB | N | CA | HA3 | 172.1° | 60.0° |
| CD1 | CG | CB | HB2 | 158.3° | 55.0° |
| CD1 | CG | CB | HB3 | 39.0° | 175.0° |
| CG | CD1 | HD13 | HD11 | 120.0° | 120.0° |
| CG | CD1 | HD13 | HD12 | 120.0° | 119.9° |
| CG | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| CD1 | CG | CD2 | HD23 | 57.3° | 180.0° |
| CD1 | CG | CD2 | HD22 | 62.8° | 60.0° |
| CD1 | CG | CD2 | HD21 | 177.2° | 60.0° |
| N | CA | C | O | 145.1° | 0.1° |
| N | CA | C | HA2 | 120.8° | 120.0° |
| N | CA | C | HA3 | 120.8° | 120.0° |
| CA | N | CB | HB2 | 143.7° | 60.0° |
| CA | N | CB | HB3 | 24.4° | 60.0° |
| N | CA | HA2 | HA3 | 117.5° | 120.0° |
| O | C | CA | HA2 | 24.3° | 120.0° |
| O | C | CA | HA3 | 94.1° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | N | H | 172.0° | 56.1° |
| C | CA | HA2 | HA3 | 117.5° | 120.0° |
| CA | C | OXT | HXT | 178.4° | 180.0° |
| H | N | CB | HB2 | 95.7° | 63.9° |
| H | N | CB | HB3 | 145.0° | 176.1° |
| H | N | CA | HA2 | 51.2° | 176.0° |
| H | N | CA | HA3 | 67.2° | 63.9° |
| HB2 | CB | CG | HG | 82.1° | 175.0° |
| HB3 | CB | CG | HG | 158.6° | 65.0° |
| HG | CG | CD1 | HD13 | 61.4° | 60.0° |
| HG | CG | CD1 | HD11 | 178.6° | 180.0° |
| HG | CG | CD1 | HD12 | 58.6° | 60.0° |
| HG | CG | CD2 | HD23 | 61.3° | 60.0° |
| HG | CG | CD2 | HD22 | 178.6° | 60.0° |
| HG | CG | CD2 | HD21 | 58.6° | 180.0° |
| HD13 | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| HD23 | CD2 | HD22 | HD21 | 120.0° | 120.0° |
