VUR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OA2 | C | doub | 1.21Å | 1.25Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| C | OA1 | sing | 1.34Å | 1.25Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| NH | C1 | doub | 1.29Å | 1.34Å | |
| C1 | NE | sing | 1.37Å | 1.34Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | S3 | sing | 1.81Å | 1.81Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| S3 | HS3 | sing | 1.34Å | 1.30Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD | CG | sing | 1.53Å | 1.52Å | |
| CD | NE | sing | 1.47Å | 1.26Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| NE | HNE | sing | 0.97Å | 1.00Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| NH | HNH | sing | 0.97Å | 1.00Å | |
| OA1 | HOA1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OA2 | C | CA | 117.4° | 120.0° |
| OA2 | C | OA1 | 122.5° | 120.0° |
| CA | C | OA1 | 120.1° | 120.0° |
| C | CA | N | 109.3° | 109.4° |
| C | CA | CB | 111.4° | 109.5° |
| C | CA | HA | 108.7° | 109.5° |
| C | OA1 | HOA1 | 109.5° | 117.0° |
| CA | N | HN | 109.5° | 111.1° |
| CA | N | HNA | 109.5° | 111.0° |
| N | CA | CB | 109.9° | 109.5° |
| N | CA | HA | 109.1° | 109.5° |
| HN | N | HNA | 109.5° | 111.0° |
| NH | C1 | NE | 123.9° | 120.0° |
| NH | C1 | C2 | 118.2° | 120.0° |
| C1 | NH | HNH | 112.0° | 120.0° |
| NE | C1 | C2 | 117.9° | 120.0° |
| C1 | NE | CD | 121.6° | 120.0° |
| C1 | NE | HNE | 119.2° | 120.0° |
| C1 | C2 | S3 | 109.0° | 109.5° |
| C1 | C2 | H2 | 109.6° | 109.5° |
| C1 | C2 | H2A | 109.6° | 109.5° |
| S3 | C2 | H2 | 109.6° | 109.4° |
| S3 | C2 | H2A | 109.6° | 109.5° |
| C2 | S3 | HS3 | 102.0° | 103.0° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| CB | CA | HA | 108.5° | 109.5° |
| CA | CB | CG | 111.0° | 109.5° |
| CA | CB | HB | 109.1° | 109.5° |
| CA | CB | HBA | 109.1° | 109.4° |
| CG | CB | HB | 109.1° | 109.5° |
| CG | CB | HBA | 109.1° | 109.5° |
| CB | CG | CD | 110.8° | 109.5° |
| CB | CG | HG | 109.1° | 109.5° |
| CB | CG | HGA | 109.1° | 109.5° |
| HB | CB | HBA | 109.5° | 109.5° |
| CG | CD | NE | 121.1° | 109.5° |
| CG | CD | HD | 106.5° | 109.5° |
| CG | CD | HDA | 106.5° | 109.5° |
| CD | CG | HG | 109.2° | 109.4° |
| CD | CG | HGA | 109.2° | 109.5° |
| NE | CD | HD | 106.5° | 109.5° |
| NE | CD | HDA | 106.5° | 109.4° |
| CD | NE | HNE | 119.2° | 120.0° |
| HD | CD | HDA | 109.5° | 109.4° |
| HG | CG | HGA | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OA2 | C | CA | OA1 | 179.5° | 179.8° |
| OA2 | C | CA | N | 8.7° | 20.3° |
| OA2 | C | CA | CB | 112.9° | 99.7° |
| OA2 | C | CA | HA | 127.7° | 140.3° |
| OA2 | C | OA1 | HOA1 | 0.0° | 0.2° |
| C | CA | N | CB | 122.5° | 120.0° |
| C | CA | N | HA | 118.8° | 120.0° |
| C | CA | N | HN | 180.0° | 64.0° |
| C | CA | N | HNA | 60.0° | 60.0° |
| C | CA | CB | HA | 119.6° | 120.0° |
| C | CA | CB | CG | 179.1° | 175.0° |
| C | CA | CB | HB | 58.8° | 65.0° |
| C | CA | CB | HBA | 60.7° | 55.0° |
| CA | C | OA1 | HOA1 | 179.5° | 180.0° |
| OA1 | C | CA | N | 170.8° | 160.0° |
| OA1 | C | CA | CB | 67.6° | 80.0° |
| OA1 | C | CA | HA | 51.8° | 40.0° |
| CA | N | HN | HNA | 120.0° | 124.0° |
| N | CA | CB | HA | 119.2° | 120.0° |
| N | CA | CB | CG | 57.9° | 65.0° |
| N | CA | CB | HB | 62.4° | 55.0° |
| N | CA | CB | HBA | 178.1° | 175.0° |
| HN | N | CA | CB | 57.5° | 176.0° |
| HN | N | CA | HA | 61.2° | 56.0° |
| HNA | N | CA | CB | 177.6° | 60.0° |
| HNA | N | CA | HA | 58.8° | 180.0° |
| NH | C1 | NE | C2 | 179.4° | 179.9° |
| NH | C1 | C2 | S3 | 138.6° | 0.1° |
| NH | C1 | C2 | H2 | 101.5° | 120.0° |
| NH | C1 | C2 | H2A | 18.6° | 119.9° |
| NH | C1 | NE | CD | 40.8° | 0.1° |
| NH | C1 | NE | HNE | 139.2° | 179.9° |
| NE | C1 | C2 | S3 | 40.9° | 180.0° |
| NE | C1 | C2 | H2 | 79.1° | 60.1° |
| NE | C1 | C2 | H2A | 160.8° | 60.0° |
| C1 | NE | CD | CG | 154.6° | 180.0° |
| C1 | NE | CD | HNE | 180.0° | 179.9° |
| C1 | NE | CD | HD | 83.7° | 59.9° |
| C1 | NE | CD | HDA | 33.0° | 60.1° |
| NE | C1 | NH | HNH | 179.4° | 180.0° |
| C1 | C2 | S3 | H2 | 119.9° | 120.0° |
| C1 | C2 | S3 | H2A | 119.9° | 120.0° |
| C1 | C2 | H2 | H2A | 120.2° | 120.0° |
| C1 | C2 | S3 | HS3 | 180.0° | 180.0° |
| C2 | C1 | NE | CD | 139.7° | 180.0° |
| C2 | C1 | NE | HNE | 40.3° | 0.1° |
| C2 | C1 | NH | HNH | 0.0° | 0.1° |
| S3 | C2 | H2 | H2A | 120.2° | 120.0° |
| H2 | C2 | S3 | HS3 | 60.1° | 60.0° |
| H2A | C2 | S3 | HS3 | 60.1° | 60.0° |
| CA | CB | CG | HB | 120.2° | 120.0° |
| CA | CB | CG | HBA | 120.3° | 120.0° |
| CA | CB | HB | HBA | 119.3° | 120.0° |
| CA | CB | CG | CD | 125.8° | 179.9° |
| CA | CB | CG | HG | 113.9° | 60.0° |
| CA | CB | CG | HGA | 5.6° | 60.0° |
| HA | CA | CB | CG | 61.3° | 55.0° |
| HA | CA | CB | HB | 178.4° | 175.0° |
| HA | CA | CB | HBA | 58.9° | 65.0° |
| CG | CB | HB | HBA | 119.3° | 120.0° |
| CB | CG | CD | HG | 120.2° | 120.0° |
| CB | CG | CD | HGA | 120.2° | 120.1° |
| CB | CG | CD | NE | 78.7° | 180.0° |
| CB | CG | CD | HD | 159.7° | 59.9° |
| CB | CG | CD | HDA | 42.9° | 60.0° |
| CB | CG | HG | HGA | 119.4° | 120.0° |
| HB | CB | CG | CD | 5.6° | 60.1° |
| HB | CB | CG | HG | 125.8° | 180.0° |
| HB | CB | CG | HGA | 114.6° | 60.0° |
| HBA | CB | CG | CD | 113.9° | 60.0° |
| HBA | CB | CG | HG | 6.3° | 60.0° |
| HBA | CB | CG | HGA | 125.9° | 180.0° |
| CG | CD | NE | HD | 121.6° | 120.1° |
| CG | CD | NE | HDA | 121.6° | 120.0° |
| CG | CD | HD | HDA | 114.8° | 120.0° |
| CG | CD | NE | HNE | 25.4° | 0.1° |
| CD | CG | HG | HGA | 119.4° | 120.0° |
| NE | CD | HD | HDA | 114.7° | 119.9° |
| NE | CD | CG | HG | 41.5° | 60.0° |
| NE | CD | CG | HGA | 161.1° | 59.9° |
| HD | CD | NE | HNE | 96.2° | 120.0° |
| HD | CD | CG | HG | 80.1° | 60.0° |
| HD | CD | CG | HGA | 39.5° | 180.0° |
| HDA | CD | NE | HNE | 147.0° | 120.0° |
| HDA | CD | CG | HG | 163.2° | 180.0° |
| HDA | CD | CG | HGA | 77.3° | 60.0° |
