JMO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C10 | doub | 1.21Å | 1.24Å | |
| C9 | CA | sing | 1.53Å | 1.51Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C10 | CA | sing | 1.51Å | 1.56Å | |
| C10 | O4 | sing | 1.34Å | 1.34Å | |
| C | C12 | sing | 1.51Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| C12 | O4 | sing | 1.45Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.47Å | 1.48Å | |
| N | C7 | sing | 1.47Å | 1.49Å | |
| C15 | N3 | trip | 1.14Å | 1.14Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.03Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C10 | CA | 122.6° | 120.0° |
| O2 | C10 | O4 | 119.4° | 119.9° |
| C9 | CA | C10 | 112.2° | 109.4° |
| C9 | CA | N | 105.1° | 109.5° |
| C9 | CA | HA | 107.5° | 109.5° |
| CA | C9 | H92 | 109.5° | 109.5° |
| CA | C9 | H91 | 109.4° | 109.5° |
| CA | C9 | H93 | 109.5° | 109.5° |
| O | C | C12 | 121.2° | 120.0° |
| O | C | OXT | 119.4° | 120.0° |
| CA | C10 | O4 | 118.0° | 120.1° |
| C10 | CA | N | 116.8° | 109.5° |
| C10 | CA | HA | 107.0° | 109.4° |
| C10 | O4 | C12 | 122.1° | 117.1° |
| C | C12 | O4 | 114.1° | 109.5° |
| C | C12 | C13 | 115.1° | 109.5° |
| C12 | C | OXT | 119.4° | 120.0° |
| C | C12 | H12 | 106.2° | 109.4° |
| CA | N | C7 | 115.6° | 111.0° |
| N | CA | HA | 108.0° | 109.5° |
| CA | N | H | 107.9° | 111.0° |
| O4 | C12 | C13 | 107.4° | 109.5° |
| O4 | C12 | H12 | 107.2° | 109.4° |
| C12 | C13 | C14 | 114.1° | 109.5° |
| C13 | C12 | H12 | 106.3° | 109.5° |
| C12 | C13 | H131 | 108.3° | 109.5° |
| C12 | C13 | H132 | 108.3° | 109.4° |
| C13 | C14 | C15 | 113.6° | 109.5° |
| C14 | C13 | H131 | 108.3° | 109.5° |
| C14 | C13 | H132 | 108.3° | 109.5° |
| C13 | C14 | H141 | 108.4° | 109.5° |
| C13 | C14 | H142 | 108.4° | 109.5° |
| C14 | C15 | N3 | 178.0° | 180.0° |
| C15 | C14 | H141 | 108.4° | 109.5° |
| C15 | C14 | H142 | 108.4° | 109.4° |
| N | C7 | H73 | 109.5° | 109.5° |
| N | C7 | H72 | 109.5° | 109.5° |
| N | C7 | H71 | 109.5° | 109.5° |
| C7 | N | H | 107.9° | 111.0° |
| H73 | C7 | H72 | 109.5° | 109.5° |
| H73 | C7 | H71 | 109.5° | 109.5° |
| H72 | C7 | H71 | 109.4° | 109.4° |
| H92 | C9 | H91 | 109.5° | 109.5° |
| H92 | C9 | H93 | 109.5° | 109.4° |
| H91 | C9 | H93 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C10 | CA | C9 | 21.3° | 120.0° |
| O2 | C10 | CA | O4 | 179.5° | 180.0° |
| O2 | C10 | CA | N | 142.7° | 0.0° |
| O2 | C10 | O4 | C12 | 0.1° | 0.0° |
| O2 | C10 | CA | HA | 96.3° | 120.0° |
| C9 | CA | C10 | N | 121.4° | 120.0° |
| C9 | CA | C10 | HA | 117.6° | 120.0° |
| C9 | CA | C10 | O4 | 159.2° | 60.0° |
| C9 | CA | N | HA | 114.5° | 120.0° |
| C9 | CA | N | C7 | 103.6° | 85.0° |
| CA | C9 | H92 | H91 | 120.0° | 120.0° |
| CA | C9 | H92 | H93 | 120.0° | 120.0° |
| CA | C9 | H91 | H93 | 120.0° | 120.1° |
| C9 | CA | N | H | 135.5° | 151.0° |
| O | C | C12 | OXT | 180.0° | 179.9° |
| O | C | C12 | O4 | 169.1° | 5.1° |
| O | C | C12 | C13 | 66.1° | 115.0° |
| O | C | C12 | H12 | 51.2° | 125.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C10 | CA | N | HA | 120.5° | 120.0° |
| CA | C10 | O4 | C12 | 179.5° | 180.0° |
| C10 | CA | N | C7 | 131.3° | 155.0° |
| C10 | CA | C9 | H92 | 180.0° | 180.0° |
| C10 | CA | C9 | H91 | 60.0° | 60.0° |
| C10 | CA | C9 | H93 | 60.0° | 60.0° |
| C10 | CA | N | H | 10.4° | 31.0° |
| C10 | O4 | C12 | C | 75.7° | 90.0° |
| O4 | C10 | CA | N | 37.8° | 180.0° |
| C10 | O4 | C12 | C13 | 155.4° | 150.0° |
| O4 | C10 | CA | HA | 83.2° | 60.0° |
| C10 | O4 | C12 | H12 | 41.5° | 29.9° |
| C | C12 | O4 | C13 | 128.8° | 120.0° |
| C | C12 | O4 | H12 | 117.3° | 119.9° |
| C | C12 | C13 | H12 | 117.2° | 120.0° |
| C | C12 | C13 | C14 | 62.0° | 175.0° |
| C | C12 | C13 | H131 | 58.7° | 55.0° |
| C | C12 | C13 | H132 | 177.3° | 65.0° |
| C12 | C | OXT | HXT | 180.0° | 180.0° |
| CA | N | C7 | H | 120.9° | 124.0° |
| CA | N | C7 | H73 | 180.0° | 180.0° |
| CA | N | C7 | H72 | 60.0° | 60.0° |
| CA | N | C7 | H71 | 60.0° | 60.0° |
| N | CA | C9 | H92 | 52.1° | 60.0° |
| N | CA | C9 | H91 | 67.9° | 60.0° |
| N | CA | C9 | H93 | 172.1° | 180.0° |
| O4 | C12 | C13 | H12 | 114.5° | 120.0° |
| O4 | C12 | C13 | C14 | 169.8° | 65.0° |
| O4 | C12 | C | OXT | 11.0° | 175.0° |
| O4 | C12 | C13 | H131 | 69.5° | 175.0° |
| O4 | C12 | C13 | H132 | 49.1° | 55.0° |
| C12 | C13 | C14 | H131 | 120.7° | 120.0° |
| C12 | C13 | C14 | H132 | 120.7° | 120.0° |
| C12 | C13 | C14 | C15 | 150.9° | 180.0° |
| C13 | C12 | C | OXT | 113.9° | 64.9° |
| C12 | C13 | H131 | H132 | 117.9° | 120.0° |
| C12 | C13 | C14 | H141 | 30.3° | 60.0° |
| C12 | C13 | C14 | H142 | 88.4° | 60.0° |
| C13 | C14 | C15 | H141 | 120.6° | 120.0° |
| C13 | C14 | C15 | H142 | 120.6° | 120.0° |
| C13 | C14 | C15 | N3 | 139.2° | 0.9° |
| C14 | C13 | C12 | H12 | 55.2° | 55.0° |
| C14 | C13 | H131 | H132 | 117.9° | 120.0° |
| C13 | C14 | H141 | H142 | 118.1° | 120.0° |
| C15 | C14 | C13 | H131 | 88.4° | 60.0° |
| C15 | C14 | C13 | H132 | 30.2° | 60.0° |
| C15 | C14 | H141 | H142 | 118.1° | 119.9° |
| N | C7 | H73 | H72 | 120.0° | 120.0° |
| N | C7 | H73 | H71 | 120.0° | 120.0° |
| N | C7 | H72 | H71 | 120.0° | 120.0° |
| C7 | N | CA | HA | 10.8° | 35.0° |
| N3 | C15 | C14 | H141 | 18.6° | 121.0° |
| N3 | C15 | C14 | H142 | 100.2° | 119.1° |
| H73 | C7 | H72 | H71 | 120.0° | 120.0° |
| H73 | C7 | N | H | 59.1° | 56.0° |
| H72 | C7 | N | H | 179.1° | 176.0° |
| H71 | C7 | N | H | 60.9° | 64.0° |
| HA | CA | C9 | H92 | 62.7° | 60.0° |
| HA | CA | C9 | H91 | 177.3° | 180.0° |
| HA | CA | C9 | H93 | 57.3° | 59.9° |
| HA | CA | N | H | 110.1° | 88.9° |
| H92 | C9 | H91 | H93 | 120.0° | 119.9° |
| OXT | C | C12 | H12 | 128.8° | 55.1° |
| H12 | C12 | C13 | H131 | 175.9° | 65.0° |
| H12 | C12 | C13 | H132 | 65.4° | 175.0° |
| H131 | C13 | C14 | H141 | 151.0° | 180.0° |
| H131 | C13 | C14 | H142 | 32.3° | 60.0° |
| H132 | C13 | C14 | H141 | 90.4° | 60.0° |
| H132 | C13 | C14 | H142 | 150.9° | 180.0° |
