SUO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.46Å | 1.45Å | |
| N | CV | sing | 1.35Å | 1.33Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CG | HG1 | sing | 1.09Å | 1.11Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| CD | NE | sing | 1.47Å | 1.50Å | |
| CD | HD1A | sing | 1.09Å | 1.11Å | |
| CD | HD2 | sing | 1.09Å | 1.12Å | |
| NE | HNE1 | sing | 1.01Å | 1.02Å | |
| NE | HNE2 | sing | 1.01Å | 1.02Å | |
| C | O | sing | 1.34Å | 1.26Å | |
| C | O2 | doub | 1.21Å | 1.24Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| OXT | CV | doub | 1.21Å | 1.23Å | |
| CW | CX | sing | 1.53Å | 1.53Å | |
| CW | CV | sing | 1.51Å | 1.52Å | |
| CW | HW1 | sing | 1.09Å | 1.11Å | |
| CW | HW2 | sing | 1.09Å | 1.12Å | |
| CX | CY | sing | 1.51Å | 1.52Å | |
| CX | HX1 | sing | 1.09Å | 1.11Å | |
| CX | HX2 | sing | 1.09Å | 1.12Å | |
| CY | OD1 | sing | 1.34Å | 1.25Å | |
| CY | OD2 | doub | 1.21Å | 1.25Å | |
| OD1 | HD1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | CV | 120.8° | 120.0° |
| CA | N | HN | 124.2° | 120.1° |
| N | CA | CB | 110.1° | 109.5° |
| N | CA | C | 110.8° | 109.5° |
| N | CA | HA | 108.4° | 109.5° |
| CV | N | HN | 115.0° | 120.0° |
| N | CV | OXT | 122.2° | 120.0° |
| N | CV | CW | 116.7° | 120.0° |
| CB | CA | C | 110.4° | 109.5° |
| CB | CA | HA | 108.9° | 109.5° |
| CA | CB | CG | 113.7° | 109.5° |
| CA | CB | HB1 | 110.7° | 109.5° |
| CA | CB | HB2 | 110.7° | 109.5° |
| C | CA | HA | 108.2° | 109.4° |
| CA | C | O | 119.0° | 120.0° |
| CA | C | O2 | 117.2° | 120.0° |
| CG | CB | HB1 | 110.6° | 109.5° |
| CG | CB | HB2 | 110.6° | 109.4° |
| CB | CG | CD | 112.2° | 109.5° |
| CB | CG | HG1 | 111.2° | 109.5° |
| CB | CG | HG2 | 111.2° | 109.5° |
| HB1 | CB | HB2 | 99.6° | 109.5° |
| CD | CG | HG1 | 111.2° | 109.5° |
| CD | CG | HG2 | 111.2° | 109.5° |
| CG | CD | NE | 110.8° | 109.5° |
| CG | CD | HD1A | 111.7° | 109.5° |
| CG | CD | HD2 | 111.7° | 109.5° |
| HG1 | CG | HG2 | 99.2° | 109.5° |
| NE | CD | HD1A | 111.7° | 109.5° |
| NE | CD | HD2 | 111.7° | 109.5° |
| CD | NE | HNE1 | 111.7° | 106.7° |
| CD | NE | HNE2 | 110.8° | 106.7° |
| HD1A | CD | HD2 | 98.7° | 109.5° |
| HNE1 | NE | HNE2 | 111.7° | 106.6° |
| O | C | O2 | 123.8° | 120.0° |
| C | O | HO | 119.0° | 120.0° |
| OXT | CV | CW | 121.0° | 120.0° |
| CX | CW | CV | 113.2° | 109.5° |
| CX | CW | HW1 | 110.8° | 109.5° |
| CX | CW | HW2 | 110.8° | 109.4° |
| CW | CX | CY | 112.6° | 109.5° |
| CW | CX | HX1 | 111.0° | 109.5° |
| CW | CX | HX2 | 111.0° | 109.4° |
| CV | CW | HW1 | 110.8° | 109.5° |
| CV | CW | HW2 | 110.9° | 109.5° |
| HW1 | CW | HW2 | 99.5° | 109.5° |
| CY | CX | HX1 | 111.1° | 109.5° |
| CY | CX | HX2 | 111.1° | 109.5° |
| CX | CY | OD1 | 118.3° | 120.0° |
| CX | CY | OD2 | 119.2° | 120.0° |
| HX1 | CX | HX2 | 99.3° | 109.5° |
| OD1 | CY | OD2 | 122.4° | 120.0° |
| CY | OD1 | HD1 | 118.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | CV | HN | 180.0° | 179.9° |
| N | CA | CB | C | 122.6° | 120.0° |
| N | CA | CB | HA | 118.8° | 120.0° |
| N | CA | C | HA | 118.7° | 120.0° |
| N | CA | CB | CG | 173.1° | 65.0° |
| N | CA | CB | HB1 | 61.7° | 175.0° |
| N | CA | CB | HB2 | 47.9° | 54.9° |
| N | CA | C | O | 23.2° | 180.0° |
| N | CA | C | O2 | 156.4° | 0.0° |
| CA | N | CV | OXT | 1.8° | 0.0° |
| CA | N | CV | CW | 178.2° | 180.0° |
| CV | N | CA | CB | 164.3° | 155.0° |
| CV | N | CA | C | 73.3° | 85.0° |
| CV | N | CA | HA | 45.3° | 35.0° |
| N | CV | OXT | CW | 180.0° | 180.0° |
| N | CV | CW | CX | 151.3° | 180.0° |
| N | CV | CW | HW1 | 83.5° | 60.0° |
| N | CV | CW | HW2 | 26.0° | 60.0° |
| HN | N | CA | CB | 15.7° | 25.0° |
| HN | N | CA | C | 106.7° | 95.0° |
| HN | N | CA | HA | 134.7° | 145.1° |
| HN | N | CV | OXT | 178.2° | 180.0° |
| HN | N | CV | CW | 1.8° | 0.1° |
| CB | CA | C | HA | 119.0° | 120.0° |
| CA | CB | CG | HB1 | 125.3° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB2 | 116.6° | 120.1° |
| CA | CB | CG | CD | 173.0° | 180.0° |
| CA | CB | CG | HG1 | 61.8° | 60.0° |
| CA | CB | CG | HG2 | 47.7° | 60.0° |
| CB | CA | C | O | 99.0° | 60.0° |
| CB | CA | C | O2 | 81.4° | 120.0° |
| C | CA | CB | CG | 64.3° | 175.0° |
| C | CA | CB | HB1 | 61.0° | 55.0° |
| C | CA | CB | HB2 | 170.5° | 65.1° |
| CA | C | O | O2 | 179.6° | 180.0° |
| CA | C | O | HO | 180.0° | 180.0° |
| HA | CA | CB | CG | 54.3° | 55.0° |
| HA | CA | CB | HB1 | 179.6° | 65.0° |
| HA | CA | CB | HB2 | 70.9° | 175.0° |
| HA | CA | C | O | 141.9° | 60.1° |
| HA | CA | C | O2 | 37.7° | 120.0° |
| CG | CB | HB1 | HB2 | 116.5° | 119.9° |
| CB | CG | CD | HG1 | 125.3° | 120.0° |
| CB | CG | CD | HG2 | 125.2° | 120.0° |
| CB | CG | HG1 | HG2 | 117.1° | 120.0° |
| CB | CG | CD | NE | 179.2° | 180.0° |
| CB | CG | CD | HD1A | 53.9° | 60.0° |
| CB | CG | CD | HD2 | 55.6° | 60.0° |
| HB1 | CB | CG | CD | 47.7° | 60.0° |
| HB1 | CB | CG | HG1 | 173.0° | 180.0° |
| HB1 | CB | CG | HG2 | 77.5° | 60.0° |
| HB2 | CB | CG | CD | 61.8° | 60.0° |
| HB2 | CB | CG | HG1 | 63.5° | 60.0° |
| HB2 | CB | CG | HG2 | 173.0° | 180.0° |
| CD | CG | HG1 | HG2 | 117.1° | 120.0° |
| CG | CD | NE | HD1A | 125.3° | 120.0° |
| CG | CD | NE | HD2 | 125.3° | 120.0° |
| CG | CD | HD1A | HD2 | 117.6° | 120.0° |
| CG | CD | NE | HNE1 | 54.7° | 179.9° |
| CG | CD | NE | HNE2 | 180.0° | 66.3° |
| HG1 | CG | CD | NE | 55.6° | 60.0° |
| HG1 | CG | CD | HD1A | 179.2° | 180.0° |
| HG1 | CG | CD | HD2 | 69.7° | 60.0° |
| HG2 | CG | CD | NE | 53.9° | 60.0° |
| HG2 | CG | CD | HD1A | 71.3° | 60.0° |
| HG2 | CG | CD | HD2 | 179.2° | NaN° |
| NE | CD | HD1A | HD2 | 117.6° | 120.0° |
| CD | NE | HNE1 | HNE2 | 124.7° | 113.7° |
| HD1A | CD | NE | HNE1 | 180.0° | 59.9° |
| HD1A | CD | NE | HNE2 | 54.7° | 53.7° |
| HD2 | CD | NE | HNE1 | 70.5° | 60.1° |
| HD2 | CD | NE | HNE2 | 54.7° | 173.7° |
| O2 | C | O | HO | 0.4° | 0.0° |
| OXT | CV | CW | CX | 28.8° | 0.0° |
| OXT | CV | CW | HW1 | 96.5° | 120.0° |
| OXT | CV | CW | HW2 | 154.0° | 120.0° |
| CX | CW | CV | HW1 | 125.3° | 120.0° |
| CX | CW | CV | HW2 | 125.2° | 120.0° |
| CX | CW | HW1 | HW2 | 116.7° | 120.0° |
| CW | CX | CY | HX1 | 125.3° | 120.0° |
| CW | CX | CY | HX2 | 125.3° | 120.0° |
| CW | CX | HX1 | HX2 | 116.9° | 120.0° |
| CW | CX | CY | OD1 | 38.6° | 180.0° |
| CW | CX | CY | OD2 | 141.3° | 0.0° |
| CV | CW | HW1 | HW2 | 116.7° | 120.0° |
| CV | CW | CX | CY | 167.3° | 180.0° |
| CV | CW | CX | HX1 | 42.0° | 60.0° |
| CV | CW | CX | HX2 | 67.4° | 60.0° |
| HW1 | CW | CX | CY | 42.0° | 60.0° |
| HW1 | CW | CX | HX1 | 83.3° | 180.0° |
| HW1 | CW | CX | HX2 | 167.3° | 60.0° |
| HW2 | CW | CX | CY | 67.5° | 60.0° |
| HW2 | CW | CX | HX1 | 167.3° | 60.0° |
| HW2 | CW | CX | HX2 | 57.8° | NaN° |
| CY | CX | HX1 | HX2 | 116.9° | 120.0° |
| CX | CY | OD1 | OD2 | 179.9° | 180.0° |
| CX | CY | OD1 | HD1 | 180.0° | 180.0° |
| HX1 | CX | CY | OD1 | 86.7° | 60.0° |
| HX1 | CX | CY | OD2 | 93.4° | 120.0° |
| HX2 | CX | CY | OD1 | 163.8° | 60.0° |
| HX2 | CX | CY | OD2 | 16.0° | 120.0° |
| OD2 | CY | OD1 | HD1 | 0.2° | 0.0° |
