JM2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.52Å | |
| C | OA2 | sing | 1.34Å | 1.26Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| C1 | NH | doub | 1.29Å | 1.33Å | |
| C1 | NE | sing | 1.37Å | 1.34Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| S3 | C2 | sing | 1.81Å | 1.78Å | |
| C4 | S3 | sing | 1.81Å | 1.77Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| 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 | 1.28Å | |
| CD | CG | sing | 1.53Å | 1.52Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| NH | HNH | sing | 0.97Å | 1.00Å | |
| OA1 | C | doub | 1.21Å | 1.26Å | |
| OA2 | HOA2 | sing | 0.97Å | 0.95Å | |
| CD | H16 | sing | 1.09Å | 1.10Å | |
| NE | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | OA2 | 118.7° | 120.0° |
| C | CA | N | 108.9° | 109.5° |
| C | CA | HA | 107.5° | 109.5° |
| C | CA | CB | 114.4° | 109.5° |
| CA | C | OA1 | 119.5° | 120.0° |
| OA2 | C | OA1 | 121.8° | 120.0° |
| C | OA2 | HOA2 | 109.5° | 117.0° |
| HN | N | HNA | 109.4° | 111.0° |
| HN | N | CA | 109.5° | 111.0° |
| HNA | N | CA | 109.5° | 111.0° |
| NH | C1 | NE | 122.7° | 120.0° |
| NH | C1 | C2 | 119.0° | 120.0° |
| C1 | NH | HNH | 112.0° | 120.0° |
| NE | C1 | C2 | 118.3° | 120.0° |
| C1 | NE | CD | 121.7° | 120.0° |
| C1 | NE | H17 | 119.2° | 120.0° |
| C1 | C2 | H2 | 110.3° | 109.5° |
| C1 | C2 | H2A | 110.3° | 109.4° |
| C1 | C2 | S3 | 107.2° | 109.5° |
| H2 | C2 | H2A | 108.7° | 109.5° |
| H2 | C2 | S3 | 110.2° | 109.5° |
| H2A | C2 | S3 | 110.2° | 109.5° |
| C2 | S3 | C4 | 104.6° | 103.0° |
| S3 | C4 | H4 | 109.5° | 109.4° |
| S3 | C4 | H4A | 109.5° | 109.4° |
| S3 | C4 | H4B | 109.5° | 109.4° |
| H4 | C4 | H4A | 109.4° | 109.5° |
| H4 | C4 | H4B | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| N | CA | HA | 109.9° | 109.5° |
| N | CA | CB | 112.2° | 109.5° |
| HA | CA | CB | 103.8° | 109.5° |
| CA | CB | CG | 113.3° | 109.5° |
| CA | CB | HB | 108.2° | 109.5° |
| CA | CB | HBA | 108.2° | 109.5° |
| CG | CB | HB | 108.2° | 109.4° |
| CG | CB | HBA | 108.2° | 109.5° |
| CB | CG | CD | 107.9° | 109.5° |
| CB | CG | HG | 110.0° | 109.5° |
| CB | CG | HGA | 110.0° | 109.5° |
| HB | CB | HBA | 110.7° | 109.5° |
| NE | CD | CG | 118.0° | 109.5° |
| NE | CD | HD | 106.7° | 109.5° |
| NE | CD | H16 | 106.7° | 109.5° |
| CD | NE | H17 | 119.1° | 120.0° |
| CG | CD | HD | 106.7° | 109.4° |
| CD | CG | HG | 110.0° | 109.4° |
| CD | CG | HGA | 110.0° | 109.4° |
| CG | CD | H16 | 106.7° | 109.4° |
| HD | CD | H16 | 112.1° | 109.5° |
| HG | CG | HGA | 108.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | OA2 | OA1 | 178.3° | 179.7° |
| C | CA | N | HN | 180.0° | 64.0° |
| C | CA | N | HNA | 60.0° | 60.0° |
| C | CA | N | HA | 117.5° | 120.0° |
| C | CA | N | CB | 127.6° | 120.0° |
| C | CA | HA | CB | 121.5° | 120.0° |
| C | CA | CB | CG | 179.3° | 175.0° |
| C | CA | CB | HB | 59.3° | 65.1° |
| C | CA | CB | HBA | 60.7° | 55.0° |
| CA | C | OA2 | HOA2 | 178.3° | 180.0° |
| OA2 | C | CA | N | 3.8° | 160.0° |
| OA2 | C | CA | HA | 115.2° | 40.0° |
| OA2 | C | CA | CB | 130.2° | 80.0° |
| HN | N | HNA | CA | 120.0° | 123.9° |
| HN | N | CA | HA | 62.5° | 56.1° |
| HN | N | CA | CB | 52.4° | 176.0° |
| HNA | N | CA | HA | 57.4° | 180.0° |
| HNA | N | CA | CB | 172.4° | 60.0° |
| NH | C1 | NE | C2 | 179.3° | 179.9° |
| NH | C1 | C2 | H2 | 148.1° | 120.0° |
| NH | C1 | C2 | H2A | 28.1° | 120.0° |
| NH | C1 | C2 | S3 | 91.9° | 0.0° |
| NH | C1 | NE | CD | 179.0° | 0.0° |
| NH | C1 | NE | H17 | 1.0° | 179.9° |
| NE | C1 | C2 | H2 | 32.6° | 59.9° |
| NE | C1 | C2 | H2A | 152.6° | 60.0° |
| NE | C1 | C2 | S3 | 87.4° | 180.0° |
| C1 | NE | CD | H17 | 180.0° | 180.0° |
| C1 | NE | CD | CG | 178.3° | 180.0° |
| C1 | NE | CD | HD | 61.7° | 60.0° |
| NE | C1 | NH | HNH | 179.2° | 179.9° |
| C1 | NE | CD | H16 | 58.3° | 60.0° |
| C1 | C2 | H2 | H2A | 120.9° | 119.9° |
| C1 | C2 | H2 | S3 | 118.2° | 120.0° |
| C1 | C2 | H2A | S3 | 118.2° | 120.0° |
| C1 | C2 | S3 | C4 | 154.3° | 180.0° |
| C2 | C1 | NE | CD | 0.3° | 180.0° |
| C2 | C1 | NH | HNH | 0.0° | 0.0° |
| C2 | C1 | NE | H17 | 179.7° | 0.0° |
| H2 | C2 | H2A | S3 | 120.9° | 120.0° |
| H2 | C2 | S3 | C4 | 34.3° | 60.0° |
| H2A | C2 | S3 | C4 | 85.7° | 60.0° |
| C2 | S3 | C4 | H4 | 180.0° | 60.0° |
| C2 | S3 | C4 | H4A | 60.0° | 180.0° |
| C2 | S3 | C4 | H4B | 60.0° | 60.0° |
| S3 | C4 | H4 | H4A | 120.0° | 119.9° |
| S3 | C4 | H4 | H4B | 120.0° | 120.0° |
| S3 | C4 | H4A | H4B | 120.0° | 120.0° |
| H4 | C4 | H4A | H4B | 120.0° | 120.1° |
| N | CA | HA | CB | 120.1° | 120.0° |
| N | CA | CB | CG | 54.7° | 65.0° |
| N | CA | CB | HB | 65.4° | 54.9° |
| N | CA | CB | HBA | 174.7° | 175.0° |
| N | CA | C | OA1 | 177.9° | 19.7° |
| HA | CA | CB | CG | 63.9° | 55.0° |
| HA | CA | CB | HB | 176.1° | 174.9° |
| HA | CA | CB | HBA | 56.1° | 65.0° |
| HA | CA | C | OA1 | 63.1° | 139.7° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 118.4° | 120.0° |
| CA | CB | CG | CD | 141.9° | 180.0° |
| CA | CB | CG | HG | 98.1° | 60.0° |
| CA | CB | CG | HGA | 21.9° | 60.0° |
| CB | CA | C | OA1 | 51.5° | 100.3° |
| CG | CB | HB | HBA | 118.4° | 120.0° |
| CB | CG | CD | NE | 44.4° | 180.0° |
| CB | CG | CD | HG | 120.0° | 120.0° |
| CB | CG | CD | HGA | 120.0° | 120.0° |
| CB | CG | CD | HD | 164.4° | 60.0° |
| CB | CG | HG | HGA | 120.6° | 120.1° |
| CB | CG | CD | H16 | 75.6° | 60.0° |
| HB | CB | CG | CD | 21.9° | 60.0° |
| HB | CB | CG | HG | 141.9° | 180.0° |
| HB | CB | CG | HGA | 98.1° | 60.0° |
| HBA | CB | CG | CD | 98.1° | 60.0° |
| HBA | CB | CG | HG | 21.9° | 60.0° |
| HBA | CB | CG | HGA | 141.9° | 180.0° |
| NE | CD | CG | HD | 120.0° | 120.0° |
| NE | CD | CG | H16 | 120.0° | 120.0° |
| NE | CD | HD | H16 | 116.5° | 120.1° |
| NE | CD | CG | HG | 164.4° | 60.0° |
| NE | CD | CG | HGA | 75.6° | 60.0° |
| CG | CD | HD | H16 | 116.5° | 119.9° |
| CD | CG | HG | HGA | 120.6° | 119.9° |
| CG | CD | NE | H17 | 1.7° | 0.0° |
| HD | CD | CG | HG | 75.6° | 60.0° |
| HD | CD | CG | HGA | 44.4° | 180.0° |
| HD | CD | NE | H17 | 118.3° | 120.0° |
| HG | CG | CD | H16 | 44.4° | 180.0° |
| HGA | CG | CD | H16 | 164.4° | 60.1° |
| OA1 | C | OA2 | HOA2 | 0.0° | 0.3° |
| H16 | CD | NE | H17 | 121.7° | 120.0° |
