SUG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C | sing | 1.34Å | 1.25Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| N | CA | sing | 1.46Å | 1.46Å | |
| 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 | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| CG | HG1 | sing | 1.09Å | 1.11Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| CD | NE | sing | 1.46Å | 1.46Å | |
| CD | HD1 | sing | 1.09Å | 1.12Å | |
| CD | HD2A | sing | 1.09Å | 1.12Å | |
| NE | CZ | sing | 1.37Å | 1.33Å | |
| NE | HNE | sing | 0.97Å | 1.02Å | |
| CZ | NH1 | doub | 1.30Å | 1.32Å | |
| CZ | NH2 | sing | 1.38Å | 1.33Å | |
| NH1 | HH1 | sing | 0.97Å | 1.02Å | |
| NH2 | HH21 | sing | 0.97Å | 1.02Å | |
| NH2 | HH22 | sing | 0.97Å | 1.02Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| CW | CX | sing | 1.53Å | 1.53Å | |
| CW | CV | sing | 1.51Å | 1.49Å | |
| 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 | 1.12Å | |
| CX | HX2 | sing | 1.09Å | 1.11Å | |
| CY | OD1 | doub | 1.21Å | 1.25Å | |
| CY | OD2 | sing | 1.34Å | 1.26Å | |
| OD2 | HD2 | sing | 0.97Å | 0.95Å | |
| CV | OXT | doub | 1.21Å | 1.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O2 | HO2 | 118.9° | 120.0° |
| O2 | C | CA | 118.9° | 120.0° |
| O2 | C | O | 124.0° | 120.0° |
| CA | N | CV | 121.1° | 120.0° |
| CA | N | HN | 124.3° | 120.1° |
| N | CA | CB | 110.4° | 109.5° |
| N | CA | C | 109.8° | 109.5° |
| N | CA | HA | 108.7° | 109.5° |
| CV | N | HN | 114.5° | 119.9° |
| N | CV | CW | 117.4° | 120.0° |
| N | CV | OXT | 122.8° | 120.0° |
| CB | CA | C | 109.7° | 109.5° |
| CB | CA | HA | 108.8° | 109.4° |
| CA | CB | CG | 113.6° | 109.5° |
| CA | CB | HB1 | 110.7° | 109.4° |
| CA | CB | HB2 | 110.7° | 109.4° |
| C | CA | HA | 109.3° | 109.5° |
| CA | C | O | 117.1° | 120.0° |
| CG | CB | HB1 | 110.7° | 109.5° |
| CG | CB | HB2 | 110.7° | 109.5° |
| CB | CG | CD | 112.8° | 109.5° |
| CB | CG | HG1 | 111.0° | 109.5° |
| CB | CG | HG2 | 111.0° | 109.4° |
| HB1 | CB | HB2 | 99.6° | 109.5° |
| CD | CG | HG1 | 111.0° | 109.5° |
| CD | CG | HG2 | 111.0° | 109.5° |
| CG | CD | NE | 110.1° | 109.5° |
| CG | CD | HD1 | 112.0° | 109.5° |
| CG | CD | HD2A | 111.9° | 109.5° |
| HG1 | CG | HG2 | 99.3° | 109.5° |
| NE | CD | HD1 | 112.0° | 109.5° |
| NE | CD | HD2A | 112.0° | 109.5° |
| CD | NE | CZ | 124.9° | 120.0° |
| CD | NE | HNE | 106.8° | 120.0° |
| HD1 | CD | HD2A | 98.4° | 109.4° |
| CZ | NE | HNE | 106.8° | 120.0° |
| NE | CZ | NH1 | 120.3° | 120.0° |
| NE | CZ | NH2 | 120.0° | 120.0° |
| NH1 | CZ | NH2 | 119.8° | 119.9° |
| CZ | NH1 | HH1 | 89.2° | 120.0° |
| CZ | NH2 | HH21 | 108.4° | 120.0° |
| CZ | NH2 | HH22 | 120.0° | 120.0° |
| HH21 | NH2 | HH22 | 108.4° | 120.0° |
| CX | CW | CV | 111.5° | 109.5° |
| CX | CW | HW1 | 111.5° | 109.5° |
| CX | CW | HW2 | 111.5° | 109.5° |
| CW | CX | CY | 112.4° | 109.5° |
| CW | CX | HX1 | 111.1° | 109.5° |
| CW | CX | HX2 | 111.2° | 109.5° |
| CV | CW | HW1 | 111.5° | 109.5° |
| CV | CW | HW2 | 111.5° | 109.5° |
| CW | CV | OXT | 119.8° | 120.0° |
| HW1 | CW | HW2 | 98.9° | 109.5° |
| CY | CX | HX1 | 111.2° | 109.5° |
| CY | CX | HX2 | 111.1° | 109.5° |
| CX | CY | OD1 | 117.8° | 120.0° |
| CX | CY | OD2 | 118.9° | 120.0° |
| HX1 | CX | HX2 | 99.2° | 109.4° |
| OD1 | CY | OD2 | 123.3° | 120.0° |
| CY | OD2 | HD2 | 118.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C | CA | N | 151.9° | 180.0° |
| O2 | C | CA | CB | 86.6° | 60.0° |
| O2 | C | CA | O | 179.8° | 180.0° |
| O2 | C | CA | HA | 32.7° | 59.9° |
| HO2 | O2 | C | CA | 180.0° | 180.0° |
| HO2 | O2 | C | O | 0.2° | 0.0° |
| CA | N | CV | HN | 180.0° | 179.9° |
| N | CA | CB | C | 121.2° | 120.0° |
| N | CA | CB | HA | 119.2° | 120.0° |
| N | CA | C | HA | 119.2° | 120.1° |
| N | CA | CB | CG | 158.5° | 65.0° |
| N | CA | CB | HB1 | 76.2° | 175.0° |
| N | CA | CB | HB2 | 33.3° | 55.0° |
| N | CA | C | O | 27.9° | 0.0° |
| CA | N | CV | CW | 174.5° | 180.0° |
| CA | N | CV | OXT | 6.3° | 0.0° |
| CV | N | CA | CB | 160.4° | 155.0° |
| CV | N | CA | C | 78.5° | 85.0° |
| CV | N | CA | HA | 41.1° | 35.0° |
| N | CV | CW | CX | 155.8° | 180.0° |
| N | CV | CW | OXT | 179.3° | 180.0° |
| N | CV | CW | HW1 | 78.9° | 60.0° |
| N | CV | CW | HW2 | 30.5° | 60.0° |
| HN | N | CA | CB | 19.6° | 25.0° |
| HN | N | CA | C | 101.5° | 95.0° |
| HN | N | CA | HA | 138.9° | 144.9° |
| HN | N | CV | CW | 5.6° | 0.1° |
| HN | N | CV | OXT | 173.7° | 180.0° |
| CB | CA | C | HA | 119.3° | 119.9° |
| CA | CB | CG | HB1 | 125.3° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB2 | 116.5° | 119.9° |
| CA | CB | CG | CD | 155.1° | 180.0° |
| CA | CB | CG | HG1 | 79.7° | 60.0° |
| CA | CB | CG | HG2 | 29.8° | 60.0° |
| CB | CA | C | O | 93.6° | 120.0° |
| C | CA | CB | CG | 80.3° | 175.0° |
| C | CA | CB | HB1 | 45.0° | 55.0° |
| C | CA | CB | HB2 | 154.4° | 65.0° |
| HA | CA | CB | CG | 39.3° | 55.0° |
| HA | CA | CB | HB1 | 164.6° | 65.0° |
| HA | CA | CB | HB2 | 86.0° | 175.0° |
| HA | CA | C | O | 147.1° | 120.0° |
| CG | CB | HB1 | HB2 | 116.5° | 120.1° |
| CB | CG | CD | HG1 | 125.3° | 120.0° |
| CB | CG | CD | HG2 | 125.3° | 120.0° |
| CB | CG | HG1 | HG2 | 116.9° | 119.9° |
| CB | CG | CD | NE | 165.7° | 180.0° |
| CB | CG | CD | HD1 | 40.4° | 60.0° |
| CB | CG | CD | HD2A | 69.1° | 60.0° |
| HB1 | CB | CG | CD | 29.8° | 60.0° |
| HB1 | CB | CG | HG1 | 155.1° | 180.0° |
| HB1 | CB | CG | HG2 | 95.4° | 60.0° |
| HB2 | CB | CG | CD | 79.6° | 60.0° |
| HB2 | CB | CG | HG1 | 45.6° | 60.0° |
| HB2 | CB | CG | HG2 | 155.1° | 180.0° |
| CD | CG | HG1 | HG2 | 116.9° | 120.0° |
| CG | CD | NE | HD1 | 125.3° | 120.0° |
| CG | CD | NE | HD2A | 125.2° | 120.0° |
| CG | CD | HD1 | HD2A | 117.9° | 120.0° |
| CG | CD | NE | CZ | 170.9° | 180.0° |
| CG | CD | NE | HNE | 63.8° | 0.0° |
| HG1 | CG | CD | NE | 69.1° | 60.0° |
| HG1 | CG | CD | HD1 | 165.7° | 180.0° |
| HG1 | CG | CD | HD2A | 56.2° | 60.0° |
| HG2 | CG | CD | NE | 40.4° | 60.0° |
| HG2 | CG | CD | HD1 | 84.9° | 60.0° |
| HG2 | CG | CD | HD2A | 165.6° | 179.9° |
| NE | CD | HD1 | HD2A | 117.9° | 120.0° |
| CD | NE | CZ | HNE | 125.3° | 179.9° |
| CD | NE | CZ | NH1 | 0.1° | 0.0° |
| CD | NE | CZ | NH2 | 180.0° | 180.0° |
| HD1 | CD | NE | CZ | 45.6° | 60.0° |
| HD1 | CD | NE | HNE | 170.9° | 120.0° |
| HD2A | CD | NE | CZ | 63.8° | 60.0° |
| HD2A | CD | NE | HNE | 61.4° | 120.1° |
| NE | CZ | NH1 | NH2 | 179.9° | 180.0° |
| NE | CZ | NH1 | HH1 | 45.7° | 0.0° |
| NE | CZ | NH2 | HH21 | 54.7° | 180.0° |
| NE | CZ | NH2 | HH22 | 180.0° | 0.3° |
| HNE | NE | CZ | NH1 | 125.4° | 180.0° |
| HNE | NE | CZ | NH2 | 54.7° | 0.1° |
| NH1 | CZ | NH2 | HH21 | 125.4° | 0.0° |
| NH1 | CZ | NH2 | HH22 | 0.1° | 179.7° |
| NH2 | CZ | NH1 | HH1 | 134.4° | 180.0° |
| CZ | NH2 | HH21 | HH22 | 131.8° | 179.7° |
| CX | CW | CV | HW1 | 125.3° | 120.0° |
| CX | CW | CV | HW2 | 125.3° | 120.0° |
| CX | CW | HW1 | HW2 | 117.3° | 120.0° |
| CW | CX | CY | HX1 | 125.3° | 120.1° |
| CW | CX | CY | HX2 | 125.3° | 120.0° |
| CW | CX | HX1 | HX2 | 117.0° | 120.0° |
| CW | CX | CY | OD1 | 39.3° | 0.0° |
| CW | CX | CY | OD2 | 140.1° | 180.0° |
| CX | CW | CV | OXT | 23.5° | 0.1° |
| CV | CW | HW1 | HW2 | 117.4° | 120.0° |
| CV | CW | CX | CY | 177.5° | 180.0° |
| CV | CW | CX | HX1 | 52.2° | 59.9° |
| CV | CW | CX | HX2 | 57.3° | 60.0° |
| HW1 | CW | CX | CY | 52.2° | 60.0° |
| HW1 | CW | CX | HX1 | 73.1° | 180.0° |
| HW1 | CW | CX | HX2 | 177.4° | 60.0° |
| HW1 | CW | CV | OXT | 101.8° | 120.0° |
| HW2 | CW | CX | CY | 57.3° | 60.0° |
| HW2 | CW | CX | HX1 | 177.5° | 60.0° |
| HW2 | CW | CX | HX2 | 68.0° | 180.0° |
| HW2 | CW | CV | OXT | 148.8° | 120.0° |
| CY | CX | HX1 | HX2 | 117.0° | 120.0° |
| CX | CY | OD1 | OD2 | 179.4° | 180.0° |
| CX | CY | OD2 | HD2 | 180.0° | 180.0° |
| HX1 | CX | CY | OD1 | 85.9° | 120.0° |
| HX1 | CX | CY | OD2 | 94.6° | 60.0° |
| HX2 | CX | CY | OD1 | 164.6° | 120.0° |
| HX2 | CX | CY | OD2 | 14.8° | 60.0° |
| OD1 | CY | OD2 | HD2 | 0.6° | 0.0° |
