RGE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OA2 | C | sing | 1.34Å | 1.26Å | |
| C | OA1 | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CD | NE | sing | 1.47Å | 1.45Å | |
| NE | C1 | sing | 1.37Å | 1.34Å | |
| C1 | NH | doub | 1.29Å | 1.34Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | S3 | sing | 1.81Å | 1.68Å | |
| S3 | O4 | doub | 1.42Å | 1.62Å | |
| S3 | C5 | sing | 1.81Å | 1.66Å | |
| OA2 | HA2 | sing | 0.97Å | 0.95Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| CG | HG1C | sing | 1.09Å | 1.10Å | |
| CG | HG2C | sing | 1.09Å | 1.10Å | |
| CD | HD1C | sing | 1.09Å | 1.10Å | |
| CD | HD2C | sing | 1.09Å | 1.10Å | |
| NH | HH1N | sing | 0.97Å | 1.00Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C5 | H53C | sing | 1.09Å | 1.10Å | |
| NE | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OA2 | C | OA1 | 123.0° | 120.0° |
| OA2 | C | CA | 118.9° | 120.0° |
| C | OA2 | HA2 | 109.5° | 117.0° |
| OA1 | C | CA | 118.1° | 120.0° |
| C | CA | N | 110.3° | 109.5° |
| C | CA | CB | 109.0° | 109.5° |
| C | CA | HA | 109.1° | 109.5° |
| N | CA | CB | 110.5° | 109.5° |
| N | CA | HA | 109.2° | 109.4° |
| CA | N | HN1 | 109.5° | 110.9° |
| CA | N | HN2 | 109.4° | 111.0° |
| CA | CB | CG | 109.4° | 109.5° |
| CB | CA | HA | 108.7° | 109.5° |
| CA | CB | HB1C | 109.5° | 109.5° |
| CA | CB | HB2C | 109.5° | 109.5° |
| CB | CG | CD | 114.8° | 109.5° |
| CG | CB | HB1C | 109.5° | 109.5° |
| CG | CB | HB2C | 109.5° | 109.4° |
| CB | CG | HG1C | 108.1° | 109.5° |
| CB | CG | HG2C | 108.1° | 109.4° |
| CG | CD | NE | 114.1° | 109.5° |
| CD | CG | HG1C | 108.1° | 109.5° |
| CD | CG | HG2C | 108.1° | 109.5° |
| CG | CD | HD1C | 108.3° | 109.5° |
| CG | CD | HD2C | 108.3° | 109.5° |
| CD | NE | C1 | 121.7° | 120.0° |
| NE | CD | HD1C | 108.3° | 109.5° |
| NE | CD | HD2C | 108.3° | 109.4° |
| CD | NE | H1 | 119.2° | 120.0° |
| NE | C1 | NH | 121.7° | 120.0° |
| NE | C1 | C2 | 118.8° | 120.0° |
| C1 | NE | H1 | 119.1° | 120.0° |
| NH | C1 | C2 | 119.5° | 120.0° |
| C1 | NH | HH1N | 112.0° | 120.0° |
| C1 | C2 | S3 | 103.3° | 109.5° |
| C1 | C2 | H2A | 111.0° | 109.5° |
| C1 | C2 | H2B | 111.0° | 109.4° |
| C2 | S3 | O4 | 107.4° | 109.5° |
| C2 | S3 | C5 | 110.5° | 103.0° |
| S3 | C2 | H2A | 111.0° | 109.5° |
| S3 | C2 | H2B | 111.0° | 109.5° |
| O4 | S3 | C5 | 111.0° | 109.5° |
| S3 | C5 | H51C | 109.5° | 109.5° |
| S3 | C5 | H52C | 109.4° | 109.5° |
| S3 | C5 | H53C | 109.5° | 109.5° |
| HN1 | N | HN2 | 109.5° | 111.0° |
| HB1C | CB | HB2C | 109.5° | 109.4° |
| HG1C | CG | HG2C | 109.5° | 109.4° |
| HD1C | CD | HD2C | 109.4° | 109.5° |
| H2A | C2 | H2B | 109.5° | 109.5° |
| H51C | C5 | H52C | 109.5° | 109.4° |
| H51C | C5 | H53C | 109.4° | 109.5° |
| H52C | C5 | H53C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OA2 | C | OA1 | CA | 179.6° | 179.9° |
| OA2 | C | CA | N | 4.2° | 160.0° |
| OA2 | C | CA | CB | 117.3° | 80.0° |
| OA2 | C | CA | HA | 124.2° | 40.1° |
| OA1 | C | CA | N | 175.4° | 20.1° |
| OA1 | C | CA | CB | 63.1° | 100.0° |
| OA1 | C | OA2 | HA2 | 0.0° | 0.1° |
| OA1 | C | CA | HA | 55.4° | 140.0° |
| C | CA | N | CB | 120.6° | 120.1° |
| C | CA | N | HA | 119.9° | 119.9° |
| C | CA | CB | HA | 118.7° | 120.0° |
| C | CA | CB | CG | 166.3° | 175.0° |
| CA | C | OA2 | HA2 | 179.5° | 180.0° |
| C | CA | N | HN1 | 180.0° | 60.0° |
| C | CA | N | HN2 | 60.0° | 176.1° |
| C | CA | CB | HB1C | 73.7° | 65.0° |
| C | CA | CB | HB2C | 46.3° | 55.0° |
| N | CA | CB | HA | 119.8° | 119.9° |
| N | CA | CB | CG | 72.2° | 65.0° |
| CA | N | HN1 | HN2 | 120.0° | 123.9° |
| N | CA | CB | HB1C | 47.7° | 55.0° |
| N | CA | CB | HB2C | 167.7° | 175.0° |
| CA | CB | CG | HB1C | 120.0° | 120.1° |
| CA | CB | CG | HB2C | 120.0° | 120.0° |
| CA | CB | CG | CD | 133.9° | 180.0° |
| CB | CA | N | HN1 | 59.3° | 60.0° |
| CB | CA | N | HN2 | 179.4° | 63.9° |
| CA | CB | HB1C | HB2C | 120.1° | 120.0° |
| CA | CB | CG | HG1C | 105.3° | 59.9° |
| CA | CB | CG | HG2C | 13.2° | 60.0° |
| CB | CG | CD | HG1C | 120.8° | 120.0° |
| CB | CG | CD | HG2C | 120.8° | 120.0° |
| CB | CG | CD | NE | 2.8° | 180.0° |
| CG | CB | CA | HA | 47.6° | 54.9° |
| CG | CB | HB1C | HB2C | 120.0° | 119.9° |
| CB | CG | HG1C | HG2C | 117.6° | 119.9° |
| CB | CG | CD | HD1C | 123.5° | 60.0° |
| CB | CG | CD | HD2C | 117.8° | 60.1° |
| CG | CD | NE | HD1C | 120.7° | 120.1° |
| CG | CD | NE | HD2C | 120.7° | 120.0° |
| CG | CD | NE | C1 | 150.0° | 180.0° |
| CD | CG | CB | HB1C | 13.9° | 59.9° |
| CD | CG | CB | HB2C | 106.1° | 60.0° |
| CD | CG | HG1C | HG2C | 117.6° | 120.0° |
| CG | CD | HD1C | HD2C | 117.9° | 120.0° |
| CG | CD | NE | H1 | 30.0° | 0.0° |
| CD | NE | C1 | H1 | 180.0° | 180.0° |
| CD | NE | C1 | NH | 167.6° | 0.0° |
| CD | NE | C1 | C2 | 12.6° | 180.0° |
| NE | CD | CG | HG1C | 118.0° | 60.0° |
| NE | CD | CG | HG2C | 123.6° | 60.0° |
| NE | CD | HD1C | HD2C | 117.8° | 119.9° |
| NE | C1 | NH | C2 | 179.9° | 180.0° |
| NE | C1 | C2 | S3 | 90.0° | 180.0° |
| C1 | NE | CD | HD1C | 29.3° | 60.0° |
| C1 | NE | CD | HD2C | 89.3° | 60.0° |
| NE | C1 | NH | HH1N | 179.8° | 179.9° |
| NE | C1 | C2 | H2A | 29.0° | 60.0° |
| NE | C1 | C2 | H2B | 150.9° | 60.0° |
| NH | C1 | C2 | S3 | 89.8° | 0.0° |
| NH | C1 | C2 | H2A | 151.2° | 120.0° |
| NH | C1 | C2 | H2B | 29.2° | 120.0° |
| NH | C1 | NE | H1 | 12.4° | 180.0° |
| C1 | C2 | S3 | H2A | 119.0° | 120.0° |
| C1 | C2 | S3 | H2B | 119.0° | 119.9° |
| C1 | C2 | S3 | O4 | 80.0° | 63.6° |
| C1 | C2 | S3 | C5 | 158.7° | 180.0° |
| C2 | C1 | NH | HH1N | 0.0° | 0.0° |
| C1 | C2 | H2A | H2B | 122.9° | 119.9° |
| C2 | C1 | NE | H1 | 167.4° | 0.0° |
| C2 | S3 | O4 | C5 | 120.9° | 112.3° |
| S3 | C2 | H2A | H2B | 122.9° | 120.0° |
| C2 | S3 | C5 | H51C | 119.1° | 60.0° |
| C2 | S3 | C5 | H52C | 120.9° | 180.0° |
| C2 | S3 | C5 | H53C | 0.9° | 60.0° |
| O4 | S3 | C2 | H2A | 161.0° | 176.4° |
| O4 | S3 | C2 | H2B | 39.0° | 56.4° |
| O4 | S3 | C5 | H51C | 0.0° | 56.4° |
| O4 | S3 | C5 | H52C | 120.0° | 63.6° |
| O4 | S3 | C5 | H53C | 120.0° | 176.4° |
| C5 | S3 | C2 | H2A | 39.8° | 60.0° |
| C5 | S3 | C2 | H2B | 82.2° | 60.1° |
| S3 | C5 | H51C | H52C | 120.0° | 120.0° |
| S3 | C5 | H51C | H53C | 120.0° | 120.0° |
| S3 | C5 | H52C | H53C | 120.0° | 120.1° |
| HA | CA | N | HN1 | 60.1° | 180.0° |
| HA | CA | N | HN2 | 59.9° | 56.1° |
| HA | CA | CB | HB1C | 167.5° | 175.0° |
| HA | CA | CB | HB2C | 72.4° | 65.0° |
| HB1C | CB | CG | HG1C | 134.7° | 180.0° |
| HB1C | CB | CG | HG2C | 106.8° | 60.1° |
| HB2C | CB | CG | HG1C | 14.7° | 60.1° |
| HB2C | CB | CG | HG2C | 133.2° | 180.0° |
| HG1C | CG | CD | HD1C | 2.7° | 180.0° |
| HG1C | CG | CD | HD2C | 121.4° | 60.0° |
| HG2C | CG | CD | HD1C | 115.7° | 60.0° |
| HG2C | CG | CD | HD2C | 2.9° | 179.9° |
| HD1C | CD | NE | H1 | 150.7° | 120.0° |
| HD2C | CD | NE | H1 | 90.7° | 120.0° |
| H51C | C5 | H52C | H53C | 119.9° | 120.0° |
