MMO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.50Å | |
| N | CN | sing | 1.47Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| CB | CG | sing | 1.53Å | 1.55Å | |
| CB | HCB1 | sing | 1.09Å | 1.10Å | |
| CB | HCB2 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.55Å | |
| CG | HCG1 | sing | 1.09Å | 1.10Å | |
| CG | HCG2 | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.47Å | 1.48Å | |
| CD | HCD1 | sing | 1.09Å | 1.10Å | |
| CD | HCD2 | sing | 1.09Å | 1.10Å | |
| NE | CZ | sing | 1.37Å | 1.32Å | |
| CZ | NH2 | sing | 1.37Å | 1.32Å | |
| CZ | NH1 | doub | 1.30Å | 1.34Å | |
| NH2 | HH21 | sing | 0.97Å | 1.00Å | |
| NH2 | HH22 | sing | 0.97Å | 1.00Å | |
| NH1 | HH11 | sing | 0.97Å | 1.00Å | |
| CN | HC1 | sing | 1.09Å | 1.10Å | |
| CN | HC2 | sing | 1.09Å | 1.10Å | |
| CN | HC3 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| NE | HE | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | CN | 122.0° | 111.0° |
| CA | N | H | 105.5° | 111.0° |
| N | CA | C | 109.2° | 109.4° |
| N | CA | CB | 111.1° | 109.5° |
| N | CA | HA | 109.7° | 109.4° |
| CN | N | H | 105.5° | 111.0° |
| N | CN | HC1 | 109.5° | 109.5° |
| N | CN | HC2 | 109.5° | 109.5° |
| N | CN | HC3 | 109.5° | 109.5° |
| C | CA | CB | 112.6° | 109.5° |
| C | CA | HA | 108.1° | 109.5° |
| CA | C | O | 120.9° | 120.1° |
| CA | C | OXT | 130.4° | 120.0° |
| CB | CA | HA | 106.0° | 109.5° |
| CA | CB | CG | 111.1° | 109.5° |
| CA | CB | HCB1 | 108.9° | 109.5° |
| CA | CB | HCB2 | 108.9° | 109.4° |
| O | C | OXT | 108.7° | 119.9° |
| CG | CB | HCB1 | 108.9° | 109.5° |
| CG | CB | HCB2 | 109.0° | 109.5° |
| CB | CG | CD | 112.1° | 109.5° |
| CB | CG | HCG1 | 108.6° | 109.5° |
| CB | CG | HCG2 | 108.6° | 109.4° |
| HCB1 | CB | HCB2 | 110.0° | 109.4° |
| CD | CG | HCG1 | 108.6° | 109.5° |
| CD | CG | HCG2 | 108.6° | 109.5° |
| CG | CD | NE | 112.3° | 109.5° |
| CG | CD | HCD1 | 108.6° | 109.5° |
| CG | CD | HCD2 | 108.6° | 109.5° |
| HCG1 | CG | HCG2 | 110.3° | 109.4° |
| NE | CD | HCD1 | 108.6° | 109.5° |
| NE | CD | HCD2 | 108.6° | 109.4° |
| CD | NE | CZ | 122.4° | 120.0° |
| CD | NE | HE | 118.8° | 120.0° |
| HCD1 | CD | HCD2 | 110.3° | 109.5° |
| NE | CZ | NH2 | 122.9° | 120.0° |
| NE | CZ | NH1 | 118.9° | 120.0° |
| CZ | NE | HE | 118.8° | 120.0° |
| NH2 | CZ | NH1 | 118.1° | 120.0° |
| CZ | NH2 | HH21 | 120.0° | 120.0° |
| CZ | NH2 | HH22 | 120.0° | 120.0° |
| CZ | NH1 | HH11 | 112.0° | 120.0° |
| HH21 | NH2 | HH22 | 120.0° | 120.0° |
| HC1 | CN | HC2 | 109.5° | 109.5° |
| HC1 | CN | HC3 | 109.4° | 109.4° |
| HC2 | CN | HC3 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | CN | H | 120.0° | 124.0° |
| N | CA | C | CB | 123.9° | 120.0° |
| N | CA | C | HA | 119.3° | 119.9° |
| N | CA | CB | HA | 119.1° | 120.0° |
| N | CA | C | O | 111.6° | 26.4° |
| N | CA | CB | CG | 58.1° | 65.0° |
| N | CA | CB | HCB1 | 61.9° | 55.0° |
| N | CA | CB | HCB2 | 178.1° | 175.0° |
| CA | N | CN | HC1 | 180.0° | 179.2° |
| CA | N | CN | HC2 | 60.0° | 59.2° |
| CA | N | CN | HC3 | 60.0° | 60.9° |
| N | CA | C | OXT | 68.4° | 153.7° |
| CN | N | CA | C | 55.7° | 84.2° |
| CN | N | CA | CB | 69.0° | 155.7° |
| CN | N | CA | HA | 174.1° | 35.7° |
| N | CN | HC1 | HC2 | 120.0° | 120.1° |
| N | CN | HC1 | HC3 | 120.0° | 120.0° |
| N | CN | HC2 | HC3 | 120.0° | 120.0° |
| H | N | CA | C | 175.8° | 39.8° |
| H | N | CA | CB | 51.0° | 80.3° |
| H | N | CA | HA | 65.9° | 159.7° |
| H | N | CN | HC1 | 60.0° | 56.8° |
| H | N | CN | HC2 | 180.0° | 176.9° |
| H | N | CN | HC3 | 60.0° | 63.1° |
| C | CA | CB | HA | 118.1° | 120.0° |
| CA | C | O | OXT | 180.0° | 179.9° |
| C | CA | CB | CG | 179.1° | 175.0° |
| C | CA | CB | HCB1 | 60.9° | 64.9° |
| C | CA | CB | HCB2 | 59.1° | 55.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| CB | CA | C | O | 12.3° | 93.6° |
| CA | CB | CG | HCB1 | 120.0° | 120.0° |
| CA | CB | CG | HCB2 | 120.0° | 120.0° |
| CA | CB | HCB1 | HCB2 | 119.3° | 119.9° |
| CA | CB | CG | CD | 177.8° | 180.0° |
| CA | CB | CG | HCG1 | 57.8° | 60.0° |
| CA | CB | CG | HCG2 | 62.2° | 60.0° |
| CB | CA | C | OXT | 167.7° | 86.3° |
| HA | CA | C | O | 129.1° | 146.3° |
| HA | CA | CB | CG | 61.1° | 55.0° |
| HA | CA | CB | HCB1 | 179.0° | 175.0° |
| HA | CA | CB | HCB2 | 59.0° | 65.0° |
| HA | CA | C | OXT | 50.9° | 33.7° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| CG | CB | HCB1 | HCB2 | 119.4° | 120.0° |
| CB | CG | CD | HCG1 | 120.0° | 120.1° |
| CB | CG | CD | HCG2 | 120.0° | 120.0° |
| CB | CG | HCG1 | HCG2 | 118.9° | 120.0° |
| CB | CG | CD | NE | 59.1° | 180.0° |
| CB | CG | CD | HCD1 | 60.9° | 60.0° |
| CB | CG | CD | HCD2 | 179.1° | 60.1° |
| HCB1 | CB | CG | CD | 62.2° | 60.0° |
| HCB1 | CB | CG | HCG1 | 177.8° | 180.0° |
| HCB1 | CB | CG | HCG2 | 57.7° | 60.0° |
| HCB2 | CB | CG | CD | 57.8° | 60.0° |
| HCB2 | CB | CG | HCG1 | 62.2° | 60.0° |
| HCB2 | CB | CG | HCG2 | 177.7° | 180.0° |
| CD | CG | HCG1 | HCG2 | 118.9° | 120.0° |
| CG | CD | NE | HCD1 | 120.0° | 120.0° |
| CG | CD | NE | HCD2 | 120.0° | 120.0° |
| CG | CD | HCD1 | HCD2 | 118.8° | 120.0° |
| CG | CD | NE | CZ | 173.6° | 180.0° |
| CG | CD | NE | HE | 6.4° | 0.0° |
| HCG1 | CG | CD | NE | 179.1° | 60.0° |
| HCG1 | CG | CD | HCD1 | 59.1° | 180.0° |
| HCG1 | CG | CD | HCD2 | 60.9° | 60.0° |
| HCG2 | CG | CD | NE | 60.9° | 60.0° |
| HCG2 | CG | CD | HCD1 | 179.1° | 60.0° |
| HCG2 | CG | CD | HCD2 | 59.1° | 180.0° |
| NE | CD | HCD1 | HCD2 | 118.9° | 120.0° |
| CD | NE | CZ | HE | 180.0° | 180.0° |
| CD | NE | CZ | NH2 | 0.1° | 0.0° |
| CD | NE | CZ | NH1 | 179.5° | 180.0° |
| HCD1 | CD | NE | CZ | 53.6° | 60.0° |
| HCD1 | CD | NE | HE | 126.4° | 120.0° |
| HCD2 | CD | NE | CZ | 66.4° | 60.0° |
| HCD2 | CD | NE | HE | 113.6° | 120.0° |
| NE | CZ | NH2 | NH1 | 179.4° | 180.0° |
| NE | CZ | NH2 | HH21 | 179.4° | 0.0° |
| NE | CZ | NH2 | HH22 | 0.6° | 180.0° |
| NE | CZ | NH1 | HH11 | 179.5° | 180.0° |
| CZ | NH2 | HH21 | HH22 | 180.0° | 180.0° |
| NH2 | CZ | NH1 | HH11 | 0.0° | 0.0° |
| NH2 | CZ | NE | HE | 179.9° | 180.0° |
| NH1 | CZ | NH2 | HH21 | 0.0° | 180.0° |
| NH1 | CZ | NH2 | HH22 | 180.0° | 0.0° |
| NH1 | CZ | NE | HE | 0.5° | 0.0° |
| HC1 | CN | HC2 | HC3 | 120.0° | 119.9° |
