4MM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | N | sing | 1.47Å | 1.47Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CA | CAH | sing | 1.53Å | 1.54Å | |
| N | CAD | sing | 1.47Å | 1.47Å | |
| N | CAB | sing | 1.47Å | 1.48Å | |
| CAG | CAH | sing | 1.53Å | 1.54Å | |
| CAG | SAI | sing | 1.81Å | 1.76Å | |
| SAI | CAA | sing | 1.81Å | 1.77Å | |
| C | OXT | sing | 1.34Å | 1.69Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAG | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAH | H6 | sing | 1.09Å | 1.10Å | |
| CAH | H7 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CAB | H9 | sing | 1.09Å | 1.10Å | |
| CAB | H10 | sing | 1.09Å | 1.10Å | |
| CAB | H11 | sing | 1.09Å | 1.10Å | |
| CAC | H12 | sing | 1.09Å | 1.10Å | |
| CAC | H13 | sing | 1.09Å | 1.10Å | |
| CAC | H14 | sing | 1.09Å | 1.10Å | |
| CAD | H15 | sing | 1.09Å | 1.10Å | |
| CAD | H16 | sing | 1.09Å | 1.10Å | |
| CAD | H17 | 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) |
| CAC | N | CA | 110.0° | 109.5° |
| CAC | N | CAD | 105.9° | 109.4° |
| CAC | N | CAB | 108.5° | 109.5° |
| N | CAC | H12 | 109.5° | 109.5° |
| N | CAC | H13 | 109.5° | 109.5° |
| N | CAC | H14 | 109.4° | 109.5° |
| O | C | CA | 124.7° | 120.0° |
| O | C | OXT | 127.8° | 120.0° |
| C | CA | N | 111.0° | 109.4° |
| C | CA | CAH | 108.9° | 109.4° |
| CA | C | OXT | 107.5° | 120.0° |
| C | CA | HA | 107.4° | 109.5° |
| N | CA | CAH | 114.5° | 109.5° |
| CA | N | CAD | 109.1° | 109.4° |
| CA | N | CAB | 113.3° | 109.5° |
| N | CA | HA | 107.6° | 109.5° |
| CA | CAH | CAG | 111.9° | 109.4° |
| CA | CAH | H6 | 108.8° | 109.5° |
| CA | CAH | H7 | 108.9° | 109.5° |
| CAH | CA | HA | 107.1° | 109.5° |
| CAD | N | CAB | 109.8° | 109.5° |
| N | CAD | H15 | 109.5° | 109.4° |
| N | CAD | H16 | 109.5° | 109.5° |
| N | CAD | H17 | 109.5° | 109.5° |
| N | CAB | H9 | 109.5° | 109.5° |
| N | CAB | H10 | 109.5° | 109.5° |
| N | CAB | H11 | 109.5° | 109.5° |
| CAH | CAG | SAI | 108.0° | 109.5° |
| CAH | CAG | H4 | 109.8° | 109.5° |
| CAH | CAG | H5 | 109.8° | 109.5° |
| CAG | CAH | H6 | 108.9° | 109.5° |
| CAG | CAH | H7 | 108.9° | 109.4° |
| CAG | SAI | CAA | 110.4° | 103.0° |
| SAI | CAG | H4 | 109.8° | 109.5° |
| SAI | CAG | H5 | 109.8° | 109.5° |
| SAI | CAA | H1 | 109.5° | 109.5° |
| SAI | CAA | H8 | 109.5° | 109.5° |
| SAI | CAA | H3 | 109.4° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
| H1 | CAA | H8 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H8 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAG | H5 | 109.4° | 109.4° |
| H6 | CAH | H7 | 109.5° | 109.5° |
| H9 | CAB | H10 | 109.4° | 109.5° |
| H9 | CAB | H11 | 109.5° | 109.5° |
| H10 | CAB | H11 | 109.5° | 109.5° |
| H12 | CAC | H13 | 109.5° | 109.4° |
| H12 | CAC | H14 | 109.5° | 109.5° |
| H13 | CAC | H14 | 109.5° | 109.4° |
| H15 | CAD | H16 | 109.5° | 109.5° |
| H15 | CAD | H17 | 109.5° | 109.5° |
| H16 | CAD | H17 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | N | CA | C | 51.7° | 86.6° |
| CAC | N | CA | CAD | 115.8° | 119.9° |
| CAC | N | CA | CAB | 121.6° | 120.0° |
| CAC | N | CA | CAH | 175.5° | 33.4° |
| CAC | N | CAD | CAB | 116.9° | 120.0° |
| CAC | N | CA | HA | 65.6° | 153.4° |
| CAC | N | CAB | H9 | 180.0° | 53.4° |
| CAC | N | CAB | H10 | 60.0° | 66.6° |
| CAC | N | CAB | H11 | 60.0° | 173.4° |
| N | CAC | H12 | H13 | 120.0° | 120.0° |
| N | CAC | H12 | H14 | 120.0° | 120.0° |
| N | CAC | H13 | H14 | 120.0° | 120.0° |
| CAC | N | CAD | H15 | 180.0° | 167.1° |
| CAC | N | CAD | H16 | 60.0° | 47.1° |
| CAC | N | CAD | H17 | 60.0° | 73.0° |
| O | C | CA | OXT | 176.8° | 179.9° |
| O | C | CA | N | 62.0° | 44.1° |
| O | C | CA | CAH | 65.0° | 75.9° |
| O | C | CA | HA | 179.3° | 164.1° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | N | CAH | 123.8° | 120.0° |
| C | CA | N | HA | 117.3° | 120.0° |
| C | CA | CAH | HA | 115.9° | 120.0° |
| C | CA | N | CAD | 167.5° | 153.5° |
| C | CA | N | CAB | 69.9° | 33.4° |
| C | CA | CAH | CAG | 63.5° | 179.3° |
| C | CA | CAH | H6 | 176.1° | 59.3° |
| C | CA | CAH | H7 | 56.9° | 60.8° |
| CA | C | OXT | HXT | 176.7° | 180.0° |
| N | CA | CAH | HA | 119.2° | 120.1° |
| CA | N | CAD | CAB | 124.7° | 120.0° |
| N | CA | CAH | CAG | 171.6° | 60.8° |
| N | CA | C | OXT | 121.2° | 136.0° |
| N | CA | CAH | H6 | 51.2° | 179.2° |
| N | CA | CAH | H7 | 68.0° | 59.2° |
| CA | N | CAB | H9 | 57.6° | 66.6° |
| CA | N | CAB | H10 | 177.6° | 173.4° |
| CA | N | CAB | H11 | 62.4° | 53.4° |
| CA | N | CAC | H12 | 180.0° | 67.6° |
| CA | N | CAC | H13 | 60.0° | 172.5° |
| CA | N | CAC | H14 | 60.0° | 52.5° |
| CA | N | CAD | H15 | 61.6° | 73.0° |
| CA | N | CAD | H16 | 58.4° | 167.1° |
| CA | N | CAD | H17 | 178.3° | 47.0° |
| CAH | CA | N | CAD | 68.7° | 86.6° |
| CAH | CA | N | CAB | 54.0° | 153.4° |
| CA | CAH | CAG | H6 | 120.3° | 120.0° |
| CA | CAH | CAG | H7 | 120.4° | 120.0° |
| CA | CAH | CAG | SAI | 160.3° | 172.6° |
| CAH | CA | C | OXT | 111.8° | 104.0° |
| CA | CAH | CAG | H4 | 79.9° | 67.4° |
| CA | CAH | CAG | H5 | 40.5° | 52.6° |
| CA | CAH | H6 | H7 | 118.9° | 120.0° |
| CAD | N | CA | HA | 50.2° | 33.5° |
| CAD | N | CAB | H9 | 64.6° | 173.4° |
| CAD | N | CAB | H10 | 55.3° | 53.4° |
| CAD | N | CAB | H11 | 175.3° | 66.6° |
| CAD | N | CAC | H12 | 62.3° | 52.4° |
| CAD | N | CAC | H13 | 57.7° | 67.6° |
| CAD | N | CAC | H14 | 177.7° | 172.4° |
| N | CAD | H15 | H16 | 120.0° | 120.0° |
| N | CAD | H15 | H17 | 120.0° | 120.0° |
| N | CAD | H16 | H17 | 120.0° | 120.1° |
| CAB | N | CA | HA | 172.9° | 86.6° |
| N | CAB | H9 | H10 | 120.0° | 120.0° |
| N | CAB | H9 | H11 | 120.0° | 120.0° |
| N | CAB | H10 | H11 | 120.0° | 120.0° |
| CAB | N | CAC | H12 | 55.6° | 172.4° |
| CAB | N | CAC | H13 | 175.6° | 52.4° |
| CAB | N | CAC | H14 | 64.4° | 67.5° |
| CAB | N | CAD | H15 | 63.1° | 47.0° |
| CAB | N | CAD | H16 | 176.9° | 72.9° |
| CAB | N | CAD | H17 | 57.0° | 167.0° |
| CAH | CAG | SAI | H4 | 119.8° | 120.1° |
| CAH | CAG | SAI | H5 | 119.8° | 120.0° |
| CAH | CAG | SAI | CAA | 39.1° | 180.0° |
| CAH | CAG | H4 | H5 | 120.7° | 120.0° |
| CAG | CAH | H6 | H7 | 118.9° | 120.0° |
| CAG | CAH | CA | HA | 52.4° | 59.3° |
| CAG | SAI | CAA | H1 | 180.0° | 60.0° |
| CAG | SAI | CAA | H8 | 60.0° | 60.1° |
| CAG | SAI | CAA | H3 | 60.0° | 180.0° |
| SAI | CAG | H4 | H5 | 120.7° | 119.9° |
| SAI | CAG | CAH | H6 | 40.0° | 52.6° |
| SAI | CAG | CAH | H7 | 79.3° | 67.4° |
| SAI | CAA | H1 | H8 | 120.0° | 120.1° |
| SAI | CAA | H1 | H3 | 120.0° | 119.9° |
| SAI | CAA | H8 | H3 | 120.0° | 119.9° |
| CAA | SAI | CAG | H4 | 158.9° | 60.0° |
| CAA | SAI | CAG | H5 | 80.7° | 60.0° |
| OXT | C | CA | HA | 3.8° | 15.9° |
| H1 | CAA | H8 | H3 | 120.0° | 120.0° |
| H4 | CAG | CAH | H6 | 159.8° | 172.7° |
| H4 | CAG | CAH | H7 | 40.5° | 52.6° |
| H5 | CAG | CAH | H6 | 79.8° | 67.4° |
| H5 | CAG | CAH | H7 | 160.9° | 172.6° |
| H6 | CAH | CA | HA | 68.0° | 60.7° |
| H7 | CAH | CA | HA | 172.8° | 179.3° |
| H9 | CAB | H10 | H11 | 120.0° | 120.0° |
| H12 | CAC | H13 | H14 | 120.0° | 120.0° |
| H15 | CAD | H16 | H17 | 120.0° | 120.0° |
