MGG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.46Å | 1.49Å | |
| N | C3 | sing | 1.38Å | 1.35Å | |
| N | H | sing | 1.01Å | 1.03Å | |
| CA | CB | sing | 1.54Å | 1.55Å | |
| CA | C | sing | 1.52Å | 1.57Å | |
| CA | HA | sing | 1.10Å | 1.11Å | |
| CB | CG | sing | 1.54Å | 1.55Å | |
| CB | HB2 | sing | 1.10Å | 1.11Å | |
| CB | HB3 | sing | 1.10Å | 1.11Å | |
| CG | CD | sing | 1.53Å | 1.54Å | |
| CG | HG2 | sing | 1.10Å | 1.11Å | |
| CG | HG3 | sing | 1.10Å | 1.11Å | |
| CD | NE | sing | 1.44Å | 1.48Å | |
| CD | HD2 | sing | 1.09Å | 1.11Å | |
| CD | HD3 | sing | 1.09Å | 1.11Å | |
| NE | CZ | sing | 1.41Å | 1.35Å | |
| NE | HE | sing | 1.03Å | 1.03Å | |
| CZ | NH1 | sing | 1.39Å | 1.33Å | |
| CZ | NH2 | doub | 1.39Å | 1.32Å | |
| NH1 | HH11 | sing | 1.02Å | 1.03Å | |
| NH1 | HH12 | sing | 1.02Å | 1.03Å | |
| NH2 | HH21 | sing | 1.02Å | 1.03Å | |
| NH2 | HH22 | sing | 1.02Å | 1.03Å | |
| C3 | O3 | doub | 1.23Å | 1.23Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | C1 | sing | 1.50Å | 1.53Å | |
| C2 | H21 | sing | 1.10Å | 1.11Å | |
| C2 | H22 | sing | 1.10Å | 1.11Å | |
| C1 | O12 | doub | 1.22Å | 1.23Å | |
| C1 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | H1 | sing | 0.98Å | 0.96Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | OXT | sing | 1.36Å | 1.08Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | C3 | 122.6° | 121.5° |
| CA | N | H | 122.5° | 119.3° |
| N | CA | CB | 110.1° | 111.6° |
| N | CA | C | 113.8° | 108.1° |
| N | CA | HA | 106.0° | 107.5° |
| C3 | N | H | 113.1° | 119.2° |
| N | C3 | O3 | 123.6° | 125.8° |
| N | C3 | C2 | 116.8° | 111.4° |
| CB | CA | C | 114.7° | 112.0° |
| CB | CA | HA | 105.3° | 109.6° |
| CA | CB | CG | 114.0° | 114.5° |
| CA | CB | HB2 | 109.4° | 108.9° |
| CA | CB | HB3 | 109.8° | 108.8° |
| C | CA | HA | 106.1° | 107.9° |
| CA | C | O | 117.5° | 125.5° |
| CA | C | OXT | 68.6° | 112.0° |
| CG | CB | HB2 | 108.1° | 109.1° |
| CG | CB | HB3 | 110.0° | 108.9° |
| CB | CG | CD | 113.2° | 112.4° |
| CB | CG | HG2 | 109.5° | 109.6° |
| CB | CG | HG3 | 109.2° | 110.1° |
| HB2 | CB | HB3 | 105.2° | 106.3° |
| CD | CG | HG2 | 109.5° | 108.0° |
| CD | CG | HG3 | 109.6° | 109.5° |
| CG | CD | NE | 110.7° | 111.0° |
| CG | CD | HD2 | 109.9° | 109.5° |
| CG | CD | HD3 | 109.9° | 110.6° |
| HG2 | CG | HG3 | 105.6° | 107.1° |
| NE | CD | HD2 | 109.8° | 108.6° |
| NE | CD | HD3 | 110.0° | 109.6° |
| CD | NE | CZ | 124.5° | 123.0° |
| CD | NE | HE | 121.3° | 120.5° |
| HD2 | CD | HD3 | 106.5° | 107.5° |
| CZ | NE | HE | 114.2° | 116.5° |
| NE | CZ | NH1 | 124.1° | 121.0° |
| NE | CZ | NH2 | 118.0° | 119.8° |
| NH1 | CZ | NH2 | 117.9° | 119.2° |
| CZ | NH1 | HH11 | 116.6° | 120.9° |
| CZ | NH1 | HH12 | 116.4° | 121.9° |
| CZ | NH2 | HH21 | 116.7° | 121.2° |
| CZ | NH2 | HH22 | 116.5° | 121.2° |
| HH11 | NH1 | HH12 | 127.0° | 117.2° |
| HH21 | NH2 | HH22 | 126.8° | 117.6° |
| O3 | C3 | C2 | 119.6° | 122.7° |
| C3 | C2 | C1 | 110.9° | 114.8° |
| C3 | C2 | H21 | 111.8° | 110.5° |
| C3 | C2 | H22 | 109.3° | 107.8° |
| C1 | C2 | H21 | 109.6° | 108.1° |
| C1 | C2 | H22 | 109.8° | 108.2° |
| C2 | C1 | O12 | 123.5° | 124.1° |
| C2 | C1 | O1 | 112.3° | 112.5° |
| H21 | C2 | H22 | 105.4° | 107.2° |
| O12 | C1 | O1 | 124.1° | 123.4° |
| C1 | O1 | H1 | 111.1° | 114.9° |
| O | C | OXT | 108.1° | 122.6° |
| C | OXT | HXT | 68.7° | 115.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | C3 | H | 164.8° | 179.9° |
| N | CA | CB | C | 129.9° | 121.4° |
| N | CA | CB | HA | 113.8° | 119.0° |
| N | CA | C | HA | 116.1° | 116.0° |
| N | CA | CB | CG | 165.6° | 58.9° |
| N | CA | CB | HB2 | 44.5° | 178.6° |
| N | CA | CB | HB3 | 70.5° | 63.2° |
| CA | N | C3 | O3 | 0.4° | 0.1° |
| CA | N | C3 | C2 | 179.8° | 179.1° |
| N | CA | C | O | 110.9° | 176.1° |
| N | CA | C | OXT | 10.9° | 3.9° |
| C3 | N | CA | CB | 163.3° | 90.2° |
| C3 | N | CA | C | 66.4° | 146.2° |
| C3 | N | CA | HA | 49.9° | 30.0° |
| N | C3 | O3 | C2 | 179.4° | 179.1° |
| N | C3 | C2 | C1 | 100.5° | 92.6° |
| N | C3 | C2 | H21 | 22.2° | 30.0° |
| N | C3 | C2 | H22 | 138.4° | 146.8° |
| H | N | CA | CB | 0.1° | 89.9° |
| H | N | CA | C | 130.3° | 33.7° |
| H | N | CA | HA | 113.5° | 149.9° |
| H | N | C3 | O3 | 165.1° | 180.0° |
| H | N | C3 | C2 | 15.4° | 0.8° |
| CB | CA | C | HA | 115.8° | 120.6° |
| CA | CB | CG | HB2 | 121.8° | 122.4° |
| CA | CB | CG | HB3 | 123.8° | 122.1° |
| CA | CB | HB2 | HB3 | 117.9° | 117.1° |
| CA | CB | CG | CD | 178.0° | 177.6° |
| CA | CB | CG | HG2 | 59.6° | 57.5° |
| CA | CB | CG | HG3 | 55.6° | 60.0° |
| CB | CA | C | O | 121.1° | 60.6° |
| CB | CA | C | OXT | 138.9° | 119.5° |
| C | CA | CB | CG | 64.5° | 62.5° |
| C | CA | CB | HB2 | 174.4° | 60.0° |
| C | CA | CB | HB3 | 59.4° | 175.5° |
| CA | C | O | OXT | 74.8° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| HA | CA | CB | CG | 51.8° | 177.9° |
| HA | CA | CB | HB2 | 69.3° | 59.7° |
| HA | CA | CB | HB3 | 175.7° | 55.8° |
| HA | CA | C | O | 5.3° | 60.1° |
| HA | CA | C | OXT | 105.2° | 119.9° |
| CG | CB | HB2 | HB3 | 117.5° | 117.2° |
| CB | CG | CD | HG2 | 122.5° | 121.0° |
| CB | CG | CD | HG3 | 122.1° | 122.7° |
| CB | CG | HG2 | HG3 | 117.4° | 119.4° |
| CB | CG | CD | NE | 178.5° | 59.8° |
| CB | CG | CD | HD2 | 57.1° | 60.0° |
| CB | CG | CD | HD3 | 59.9° | 178.3° |
| HB2 | CB | CG | CD | 56.2° | 60.0° |
| HB2 | CB | CG | HG2 | 178.6° | 179.9° |
| HB2 | CB | CG | HG3 | 66.2° | 62.4° |
| HB3 | CB | CG | CD | 58.1° | 55.6° |
| HB3 | CB | CG | HG2 | 64.3° | 64.5° |
| HB3 | CB | CG | HG3 | 179.5° | 177.9° |
| CD | CG | HG2 | HG3 | 118.0° | 117.9° |
| CG | CD | NE | HD2 | 121.5° | 120.4° |
| CG | CD | NE | HD3 | 121.6° | 122.5° |
| CG | CD | HD2 | HD3 | 119.0° | 120.2° |
| CG | CD | NE | CZ | 179.7° | 80.0° |
| CG | CD | NE | HE | 1.0° | 100.1° |
| HG2 | CG | CD | NE | 59.1° | 61.2° |
| HG2 | CG | CD | HD2 | 179.5° | 179.0° |
| HG2 | CG | CD | HD3 | 62.6° | 60.7° |
| HG3 | CG | CD | NE | 56.3° | 177.5° |
| HG3 | CG | CD | HD2 | 65.1° | 62.7° |
| HG3 | CG | CD | HD3 | 178.0° | 55.6° |
| NE | CD | HD2 | HD3 | 119.1° | 118.5° |
| CD | NE | CZ | HE | 179.4° | 179.9° |
| CD | NE | CZ | NH1 | 0.4° | 179.9° |
| CD | NE | CZ | NH2 | 179.6° | 0.0° |
| HD2 | CD | NE | CZ | 58.8° | 159.6° |
| HD2 | CD | NE | HE | 120.5° | 20.3° |
| HD3 | CD | NE | CZ | 58.1° | 42.5° |
| HD3 | CD | NE | HE | 122.5° | 137.4° |
| NE | CZ | NH1 | NH2 | 180.0° | 179.9° |
| NE | CZ | NH1 | HH11 | 180.0° | 179.9° |
| NE | CZ | NH1 | HH12 | 0.0° | 0.2° |
| NE | CZ | NH2 | HH21 | 179.8° | 0.0° |
| NE | CZ | NH2 | HH22 | 0.5° | 179.9° |
| HE | NE | CZ | NH1 | 179.8° | 0.2° |
| HE | NE | CZ | NH2 | 0.2° | 179.9° |
| CZ | NH1 | HH11 | HH12 | 180.0° | 179.8° |
| NH1 | CZ | NH2 | HH21 | 0.2° | 180.0° |
| NH1 | CZ | NH2 | HH22 | 179.5° | 0.0° |
| NH2 | CZ | NH1 | HH11 | 0.0° | 0.0° |
| NH2 | CZ | NH1 | HH12 | 180.0° | 179.8° |
| CZ | NH2 | HH21 | HH22 | 179.3° | 180.0° |
| O3 | C3 | C2 | C1 | 79.0° | 88.3° |
| O3 | C3 | C2 | H21 | 158.4° | 149.2° |
| O3 | C3 | C2 | H22 | 42.1° | 32.4° |
| C3 | C2 | C1 | H21 | 123.9° | 123.8° |
| C3 | C2 | C1 | H22 | 120.8° | 120.4° |
| C3 | C2 | H21 | H22 | 118.6° | 117.2° |
| C3 | C2 | C1 | O12 | 94.8° | 3.8° |
| C3 | C2 | C1 | O1 | 85.2° | 175.5° |
| C1 | C2 | H21 | H22 | 118.1° | 116.4° |
| C2 | C1 | O12 | O1 | 180.0° | 179.2° |
| C2 | C1 | O1 | H1 | 179.4° | 179.3° |
| H21 | C2 | C1 | O12 | 29.1° | 120.0° |
| H21 | C2 | C1 | O1 | 150.9° | 60.7° |
| H22 | C2 | C1 | O12 | 144.4° | 124.2° |
| H22 | C2 | C1 | O1 | 35.6° | 55.1° |
| O12 | C1 | O1 | H1 | 0.6° | 0.0° |
| O | C | OXT | HXT | 66.9° | 0.0° |
