MIS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | OG | sing | 1.43Å | 1.41Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| OG | P | sing | 1.61Å | 1.58Å | |
| P | O1P | sing | 1.61Å | 1.45Å | |
| P | O2P | doub | 1.48Å | 1.42Å | |
| P | O3P | sing | 1.61Å | 1.54Å | |
| O1P | HOP1 | sing | 0.97Å | 0.95Å | |
| O3P | C1 | sing | 1.43Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C1 | C3 | sing | 1.53Å | 1.55Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C2 | H23 | sing | 1.09Å | 1.11Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C3 | H33 | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.30Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 114.2° | 106.7° |
| CA | N | H2 | 110.4° | 106.8° |
| N | CA | CB | 114.2° | 109.4° |
| N | CA | C | 110.1° | 109.5° |
| N | CA | HA | 104.0° | 109.4° |
| H | N | H2 | 110.5° | 106.7° |
| CB | CA | C | 103.0° | 109.5° |
| CB | CA | HA | 110.8° | 109.5° |
| CA | CB | OG | 108.0° | 109.6° |
| CA | CB | HB2 | 112.8° | 109.4° |
| CA | CB | HB3 | 112.8° | 109.5° |
| C | CA | HA | 115.0° | 109.5° |
| CA | C | O | 116.1° | 120.0° |
| CA | C | OXT | 119.1° | 120.1° |
| OG | CB | HB2 | 112.7° | 109.4° |
| OG | CB | HB3 | 112.7° | 109.5° |
| CB | OG | P | 119.4° | 106.9° |
| HB2 | CB | HB3 | 97.7° | 109.5° |
| OG | P | O1P | 106.9° | 109.5° |
| OG | P | O2P | 113.5° | 109.5° |
| OG | P | O3P | 112.5° | 109.5° |
| O1P | P | O2P | 101.4° | 109.4° |
| O1P | P | O3P | 94.8° | 109.5° |
| P | O1P | HOP1 | 106.9° | 106.8° |
| O2P | P | O3P | 123.6° | 109.5° |
| P | O3P | C1 | 112.1° | 106.9° |
| O3P | C1 | C2 | 111.4° | 109.5° |
| O3P | C1 | C3 | 103.2° | 109.5° |
| O3P | C1 | H1 | 108.7° | 109.4° |
| C2 | C1 | C3 | 95.9° | 109.5° |
| C2 | C1 | H1 | 114.8° | 109.5° |
| C1 | C2 | H21 | 111.4° | 109.5° |
| C1 | C2 | H22 | 111.5° | 109.5° |
| C1 | C2 | H23 | 111.5° | 109.5° |
| C3 | C1 | H1 | 121.9° | 109.4° |
| C1 | C3 | H31 | 103.2° | 109.5° |
| C1 | C3 | H32 | 114.6° | 109.5° |
| C1 | C3 | H33 | 114.6° | 109.5° |
| H21 | C2 | H22 | 111.5° | 109.4° |
| H21 | C2 | H23 | 111.5° | 109.5° |
| H22 | C2 | H23 | 98.8° | 109.5° |
| H31 | C3 | H32 | 114.6° | 109.5° |
| H31 | C3 | H33 | 114.6° | 109.4° |
| H32 | C3 | H33 | 95.8° | 109.5° |
| O | C | OXT | 124.7° | 119.9° |
| C | OXT | HXT | 119.1° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.9° |
| N | CA | CB | C | 119.4° | 120.0° |
| N | CA | CB | HA | 117.1° | 120.0° |
| N | CA | C | HA | 117.0° | 120.0° |
| N | CA | CB | OG | 67.6° | 60.0° |
| N | CA | CB | HB2 | 57.7° | 180.0° |
| N | CA | CB | HB3 | 167.2° | 60.0° |
| N | CA | C | O | 151.4° | 30.0° |
| N | CA | C | OXT | 32.4° | 150.0° |
| H | N | CA | CB | 180.0° | 53.8° |
| H | N | CA | C | 64.7° | 173.8° |
| H | N | CA | HA | 59.0° | 66.2° |
| H2 | N | CA | CB | 54.7° | 60.1° |
| H2 | N | CA | C | 170.0° | 60.0° |
| H2 | N | CA | HA | 66.2° | 180.0° |
| CB | CA | C | HA | 120.7° | 120.0° |
| CA | CB | OG | HB2 | 125.3° | 120.0° |
| CA | CB | OG | HB3 | 125.3° | 120.1° |
| CA | CB | HB2 | HB3 | 118.7° | 120.0° |
| CA | CB | OG | P | 103.9° | 180.0° |
| CB | CA | C | O | 86.4° | 90.0° |
| CB | CA | C | OXT | 89.9° | 90.0° |
| C | CA | CB | OG | 173.1° | 180.0° |
| C | CA | CB | HB2 | 61.7° | 60.0° |
| C | CA | CB | HB3 | 47.8° | 60.0° |
| CA | C | O | OXT | 176.0° | 180.0° |
| CA | C | OXT | HXT | 179.9° | 180.0° |
| HA | CA | CB | OG | 49.5° | 59.9° |
| HA | CA | CB | HB2 | 174.8° | 60.0° |
| HA | CA | CB | HB3 | 75.7° | 180.0° |
| HA | CA | C | O | 34.4° | 150.0° |
| HA | CA | C | OXT | 149.4° | 30.0° |
| OG | CB | HB2 | HB3 | 118.6° | 120.0° |
| CB | OG | P | O1P | 76.9° | 60.0° |
| CB | OG | P | O2P | 33.9° | 59.9° |
| CB | OG | P | O3P | 179.7° | 180.0° |
| HB2 | CB | OG | P | 21.4° | 60.0° |
| HB3 | CB | OG | P | 130.8° | 59.9° |
| OG | P | O1P | O2P | 119.1° | 120.0° |
| OG | P | O1P | O3P | 115.2° | 120.1° |
| OG | P | O2P | O3P | 142.1° | 120.1° |
| OG | P | O1P | HOP1 | 179.9° | 60.0° |
| OG | P | O3P | C1 | 78.2° | 180.0° |
| O1P | P | O2P | O3P | 103.7° | 119.9° |
| O1P | P | O3P | C1 | 171.2° | 60.0° |
| O2P | P | O1P | HOP1 | 61.0° | 180.0° |
| O2P | P | O3P | C1 | 64.2° | 59.9° |
| O3P | P | O1P | HOP1 | 64.7° | 60.1° |
| P | O3P | C1 | C2 | 87.6° | 120.0° |
| P | O3P | C1 | C3 | 170.6° | 120.0° |
| P | O3P | C1 | H1 | 39.9° | 0.0° |
| O3P | C1 | C2 | C3 | 106.6° | 120.1° |
| O3P | C1 | C2 | H1 | 124.1° | 120.0° |
| O3P | C1 | C3 | H1 | 122.3° | 120.0° |
| O3P | C1 | C2 | H21 | 180.0° | 179.9° |
| O3P | C1 | C2 | H22 | 54.7° | 60.0° |
| O3P | C1 | C2 | H23 | 54.7° | 60.1° |
| O3P | C1 | C3 | H31 | 179.9° | 60.1° |
| O3P | C1 | C3 | H32 | 54.7° | 59.9° |
| O3P | C1 | C3 | H33 | 54.7° | 180.0° |
| C2 | C1 | C3 | H1 | 124.1° | 119.9° |
| C1 | C2 | H21 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H23 | 125.3° | 120.0° |
| C1 | C2 | H22 | H23 | 117.4° | 120.0° |
| C2 | C1 | C3 | H31 | 66.4° | 60.0° |
| C2 | C1 | C3 | H32 | 168.3° | 180.0° |
| C2 | C1 | C3 | H33 | 58.9° | 59.9° |
| C3 | C1 | C2 | H21 | 73.3° | 60.0° |
| C3 | C1 | C2 | H22 | 51.9° | 179.9° |
| C3 | C1 | C2 | H23 | 161.3° | 60.0° |
| C1 | C3 | H31 | H32 | 125.3° | 120.0° |
| C1 | C3 | H31 | H33 | 125.2° | 120.0° |
| C1 | C3 | H32 | H33 | 120.4° | 120.0° |
| H1 | C1 | C2 | H21 | 55.9° | 59.9° |
| H1 | C1 | C2 | H22 | 178.8° | 60.0° |
| H1 | C1 | C2 | H23 | 69.4° | 179.9° |
| H1 | C1 | C3 | H31 | 57.8° | 180.0° |
| H1 | C1 | C3 | H32 | 67.6° | 60.0° |
| H1 | C1 | C3 | H33 | 177.0° | 60.0° |
| H21 | C2 | H22 | H23 | 117.4° | 120.0° |
| H31 | C3 | H32 | H33 | 120.4° | 120.0° |
| O | C | OXT | HXT | 4.0° | 0.1° |
