JM7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OA1 | C | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| C | OA2 | sing | 1.34Å | 1.25Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| C2 | C1 | sing | 1.51Å | 1.55Å | |
| C1 | NH | doub | 1.29Å | 1.28Å | |
| C1 | NE | sing | 1.37Å | 1.37Å | |
| C2 | S3 | sing | 1.81Å | 1.78Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C4 | S3 | sing | 1.81Å | 1.78Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.47Å | 1.47Å | |
| CD | CG | sing | 1.53Å | 1.54Å | |
| 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 | |
| OA2 | HOA2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OA1 | C | CA | 120.2° | 120.0° |
| OA1 | C | OA2 | 121.9° | 120.0° |
| CA | C | OA2 | 117.8° | 120.0° |
| C | CA | N | 108.1° | 109.5° |
| C | CA | CB | 111.6° | 109.5° |
| C | CA | HA | 109.9° | 109.5° |
| C | OA2 | HOA2 | 109.5° | 117.0° |
| CA | N | HN | 109.5° | 110.9° |
| CA | N | HNA | 109.5° | 111.0° |
| N | CA | CB | 112.2° | 109.5° |
| N | CA | HA | 109.4° | 109.5° |
| HN | N | HNA | 109.5° | 111.0° |
| C2 | C1 | NH | 116.0° | 120.0° |
| C2 | C1 | NE | 122.5° | 120.0° |
| C1 | C2 | S3 | 111.5° | 109.5° |
| C1 | C2 | H2 | 108.8° | 109.5° |
| C1 | C2 | H2A | 108.8° | 109.5° |
| NH | C1 | NE | 121.5° | 120.0° |
| C1 | NH | HNH | 112.0° | 120.0° |
| C1 | NE | CD | 123.9° | 120.0° |
| C1 | NE | HNE | 118.0° | 120.0° |
| S3 | C2 | H2 | 108.8° | 109.5° |
| S3 | C2 | H2A | 108.8° | 109.5° |
| C2 | S3 | C4 | 99.8° | 103.0° |
| H2 | C2 | H2A | 110.1° | 109.5° |
| S3 | C4 | C5 | 110.3° | 109.5° |
| S3 | C4 | H4 | 109.2° | 109.5° |
| S3 | C4 | H4A | 109.2° | 109.4° |
| C5 | C4 | H4 | 109.2° | 109.5° |
| C5 | C4 | H4A | 109.2° | 109.4° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| C4 | C5 | H5A | 109.5° | 109.5° |
| C4 | C5 | H5B | 109.5° | 109.5° |
| H4 | C4 | H4A | 109.7° | 109.4° |
| H5 | C5 | H5A | 109.5° | 109.5° |
| H5 | C5 | H5B | 109.5° | 109.5° |
| H5A | C5 | H5B | 109.5° | 109.5° |
| CB | CA | HA | 105.6° | 109.5° |
| CA | CB | CG | 112.6° | 109.5° |
| CA | CB | HB | 108.5° | 109.5° |
| CA | CB | HBA | 108.5° | 109.5° |
| CG | CB | HB | 108.4° | 109.5° |
| CG | CB | HBA | 108.4° | 109.5° |
| CB | CG | CD | 111.1° | 109.5° |
| CB | CG | HG | 108.9° | 109.5° |
| CB | CG | HGA | 108.9° | 109.5° |
| HB | CB | HBA | 110.5° | 109.5° |
| NE | CD | CG | 108.1° | 109.4° |
| NE | CD | HD | 109.9° | 109.5° |
| NE | CD | HDA | 109.9° | 109.5° |
| CD | NE | HNE | 118.0° | 120.0° |
| CG | CD | HD | 109.9° | 109.4° |
| CG | CD | HDA | 109.9° | 109.5° |
| CD | CG | HG | 108.9° | 109.5° |
| CD | CG | HGA | 108.9° | 109.4° |
| HD | CD | HDA | 109.0° | 109.5° |
| HG | CG | HGA | 110.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OA1 | C | CA | OA2 | 179.7° | 179.7° |
| OA1 | C | CA | N | 175.6° | 19.8° |
| OA1 | C | CA | CB | 60.6° | 100.3° |
| OA1 | C | CA | HA | 56.2° | 139.7° |
| OA1 | C | OA2 | HOA2 | 0.0° | 0.3° |
| C | CA | N | CB | 123.5° | 120.0° |
| C | CA | N | HA | 119.6° | 120.0° |
| C | CA | N | HN | 180.0° | 60.0° |
| C | CA | N | HNA | 60.0° | 176.0° |
| C | CA | CB | HA | 119.4° | 120.0° |
| C | CA | CB | CG | 175.9° | 175.0° |
| C | CA | CB | HB | 55.9° | 65.0° |
| C | CA | CB | HBA | 64.1° | 55.0° |
| CA | C | OA2 | HOA2 | 179.7° | 180.0° |
| OA2 | C | CA | N | 4.2° | 160.0° |
| OA2 | C | CA | CB | 119.6° | 80.0° |
| OA2 | C | CA | HA | 123.5° | 40.0° |
| CA | N | HN | HNA | 120.0° | 124.0° |
| N | CA | CB | HA | 119.1° | 120.0° |
| N | CA | CB | CG | 54.4° | 65.0° |
| N | CA | CB | HB | 65.6° | 55.0° |
| N | CA | CB | HBA | 174.4° | 175.0° |
| HN | N | CA | CB | 56.5° | 60.1° |
| HN | N | CA | HA | 60.3° | 180.0° |
| HNA | N | CA | CB | 176.5° | 63.9° |
| HNA | N | CA | HA | 59.7° | 56.0° |
| C2 | C1 | NH | NE | 179.7° | 179.9° |
| C1 | C2 | S3 | H2 | 120.0° | 120.0° |
| C1 | C2 | S3 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2 | H2A | 119.2° | 120.0° |
| C1 | C2 | S3 | C4 | 151.6° | 180.0° |
| C2 | C1 | NE | CD | 7.6° | 180.0° |
| C2 | C1 | NE | HNE | 172.4° | 0.0° |
| C2 | C1 | NH | HNH | 179.7° | 180.0° |
| NH | C1 | C2 | S3 | 129.7° | 0.0° |
| NH | C1 | C2 | H2 | 9.7° | 120.0° |
| NH | C1 | C2 | H2A | 110.3° | 120.0° |
| NH | C1 | NE | CD | 172.1° | 0.1° |
| NH | C1 | NE | HNE | 7.9° | 180.0° |
| NE | C1 | C2 | S3 | 50.7° | 179.9° |
| NE | C1 | C2 | H2 | 170.6° | 60.0° |
| NE | C1 | C2 | H2A | 69.3° | 60.0° |
| C1 | NE | CD | HNE | 180.0° | 180.0° |
| C1 | NE | CD | CG | 172.8° | 180.0° |
| C1 | NE | CD | HD | 67.2° | 60.1° |
| C1 | NE | CD | HDA | 52.8° | 60.0° |
| NE | C1 | NH | HNH | 0.0° | 0.1° |
| S3 | C2 | H2 | H2A | 119.2° | 120.0° |
| C2 | S3 | C4 | C5 | 56.6° | 180.0° |
| C2 | S3 | C4 | H4 | 176.6° | 60.0° |
| C2 | S3 | C4 | H4A | 63.4° | 60.0° |
| H2 | C2 | S3 | C4 | 88.4° | 60.0° |
| H2A | C2 | S3 | C4 | 31.6° | 60.0° |
| S3 | C4 | C5 | H4 | 120.0° | 120.1° |
| S3 | C4 | C5 | H4A | 120.0° | 120.0° |
| S3 | C4 | H4 | H4A | 119.7° | 120.0° |
| S3 | C4 | C5 | H5 | 180.0° | 60.0° |
| S3 | C4 | C5 | H5A | 60.0° | 60.0° |
| S3 | C4 | C5 | H5B | 60.0° | 180.0° |
| C5 | C4 | H4 | H4A | 119.7° | 120.0° |
| C4 | C5 | H5 | H5A | 120.0° | 120.0° |
| C4 | C5 | H5 | H5B | 120.0° | 120.0° |
| C4 | C5 | H5A | H5B | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 60.0° | 180.0° |
| H4 | C4 | C5 | H5A | 180.0° | 60.1° |
| H4 | C4 | C5 | H5B | 60.0° | 60.0° |
| H4A | C4 | C5 | H5 | 60.0° | 60.0° |
| H4A | C4 | C5 | H5A | 60.0° | 180.0° |
| H4A | C4 | C5 | H5B | 180.0° | 60.0° |
| H5 | C5 | H5A | H5B | 120.0° | 120.0° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 118.8° | 120.0° |
| CA | CB | CG | CD | 157.9° | 180.0° |
| CA | CB | CG | HG | 82.1° | 60.0° |
| CA | CB | CG | HGA | 37.9° | 60.0° |
| HA | CA | CB | CG | 64.7° | 55.0° |
| HA | CA | CB | HB | 175.3° | 175.0° |
| HA | CA | CB | HBA | 55.3° | 65.0° |
| CG | CB | HB | HBA | 118.7° | 120.0° |
| CB | CG | CD | NE | 63.0° | 180.0° |
| CB | CG | CD | HG | 120.0° | 120.0° |
| CB | CG | CD | HGA | 120.0° | 120.0° |
| CB | CG | CD | HD | 177.0° | 60.0° |
| CB | CG | CD | HDA | 57.0° | 60.0° |
| CB | CG | HG | HGA | 119.3° | 120.1° |
| HB | CB | CG | CD | 37.9° | 60.0° |
| HB | CB | CG | HG | 157.9° | 180.0° |
| HB | CB | CG | HGA | 82.1° | 60.0° |
| HBA | CB | CG | CD | 82.1° | 60.0° |
| HBA | CB | CG | HG | 37.9° | 60.0° |
| HBA | CB | CG | HGA | 157.9° | 180.0° |
| NE | CD | CG | HD | 120.0° | 119.9° |
| NE | CD | CG | HDA | 120.0° | 120.0° |
| NE | CD | HD | HDA | 120.6° | 120.1° |
| NE | CD | CG | HG | 177.0° | 60.0° |
| NE | CD | CG | HGA | 57.0° | 60.0° |
| CG | CD | HD | HDA | 120.5° | 120.0° |
| CG | CD | NE | HNE | 7.2° | 0.0° |
| CD | CG | HG | HGA | 119.3° | 119.9° |
| HD | CD | NE | HNE | 112.8° | 120.0° |
| HD | CD | CG | HG | 57.0° | 60.0° |
| HD | CD | CG | HGA | 63.0° | 180.0° |
| HDA | CD | NE | HNE | 127.2° | 120.0° |
| HDA | CD | CG | HG | 63.0° | 180.0° |
| HDA | CD | CG | HGA | 177.0° | 60.0° |
