2MR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| CG | HG3 | sing | 1.09Å | 1.12Å | |
| CD | NE | sing | 1.46Å | 1.46Å | |
| CD | HD2 | sing | 1.09Å | 1.11Å | |
| CD | HD3 | sing | 1.09Å | 1.12Å | |
| NE | CZ | sing | 1.38Å | 1.34Å | |
| NE | HE | sing | 0.97Å | 1.02Å | |
| CZ | NH1 | doub | 1.30Å | 1.33Å | |
| CZ | NH2 | sing | 1.37Å | 1.34Å | |
| NH1 | CQ1 | sing | 1.47Å | 1.46Å | |
| CQ1 | HQ11 | sing | 1.09Å | 1.12Å | |
| CQ1 | HQ12 | sing | 1.09Å | 1.11Å | |
| CQ1 | HQ13 | sing | 1.09Å | 1.12Å | |
| NH2 | CQ2 | sing | 1.46Å | 1.46Å | |
| NH2 | HH2 | sing | 0.97Å | 1.02Å | |
| CQ2 | HQ21 | sing | 1.09Å | 1.11Å | |
| CQ2 | HQ22 | sing | 1.09Å | 1.12Å | |
| CQ2 | HQ23 | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 111.1° | 106.7° |
| CA | N | H2 | 111.6° | 106.7° |
| N | CA | CB | 111.2° | 109.4° |
| N | CA | C | 111.1° | 109.5° |
| N | CA | HA | 107.4° | 109.4° |
| H | N | H2 | 111.5° | 106.7° |
| CB | CA | C | 109.9° | 109.5° |
| CB | CA | HA | 108.6° | 109.5° |
| CA | CB | CG | 113.2° | 109.5° |
| CA | CB | HB2 | 110.8° | 109.5° |
| CA | CB | HB3 | 110.8° | 109.5° |
| C | CA | HA | 108.7° | 109.5° |
| CA | C | O | 120.7° | 120.0° |
| CA | C | OXT | 116.9° | 120.0° |
| CG | CB | HB2 | 110.8° | 109.5° |
| CG | CB | HB3 | 110.8° | 109.4° |
| CB | CG | CD | 112.9° | 109.5° |
| CB | CG | HG2 | 110.9° | 109.5° |
| CB | CG | HG3 | 110.9° | 109.5° |
| HB2 | CB | HB3 | 99.5° | 109.5° |
| CD | CG | HG2 | 110.9° | 109.5° |
| CD | CG | HG3 | 110.9° | 109.4° |
| CG | CD | NE | 109.9° | 109.5° |
| CG | CD | HD2 | 112.1° | 109.5° |
| CG | CD | HD3 | 112.0° | 109.5° |
| HG2 | CG | HG3 | 99.4° | 109.4° |
| NE | CD | HD2 | 112.1° | 109.5° |
| NE | CD | HD3 | 112.1° | 109.4° |
| CD | NE | CZ | 127.0° | 120.0° |
| CD | NE | HE | 106.0° | 119.9° |
| HD2 | CD | HD3 | 98.4° | 109.4° |
| CZ | NE | HE | 106.1° | 120.0° |
| NE | CZ | NH1 | 118.4° | 120.0° |
| NE | CZ | NH2 | 123.9° | 120.0° |
| NH1 | CZ | NH2 | 117.6° | 120.0° |
| CZ | NH1 | CQ1 | 121.0° | 120.0° |
| CZ | NH2 | CQ2 | 124.5° | 120.0° |
| CZ | NH2 | HH2 | 106.9° | 120.0° |
| NH1 | CQ1 | HQ11 | 121.0° | 109.4° |
| NH1 | CQ1 | HQ12 | 108.1° | 109.5° |
| NH1 | CQ1 | HQ13 | 108.1° | 109.5° |
| HQ11 | CQ1 | HQ12 | 108.1° | 109.5° |
| HQ11 | CQ1 | HQ13 | 108.0° | 109.5° |
| HQ12 | CQ1 | HQ13 | 101.8° | 109.5° |
| CQ2 | NH2 | HH2 | 106.9° | 120.0° |
| NH2 | CQ2 | HQ21 | 124.4° | 109.5° |
| NH2 | CQ2 | HQ22 | 106.9° | 109.5° |
| NH2 | CQ2 | HQ23 | 106.9° | 109.5° |
| HQ21 | CQ2 | HQ22 | 106.9° | 109.5° |
| HQ21 | CQ2 | HQ23 | 107.0° | 109.5° |
| HQ22 | CQ2 | HQ23 | 102.7° | 109.4° |
| O | C | OXT | 122.5° | 120.0° |
| C | OXT | HXT | 116.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.8° |
| N | CA | CB | C | 123.3° | 120.0° |
| N | CA | CB | HA | 117.9° | 119.9° |
| N | CA | C | HA | 117.9° | 120.0° |
| N | CA | CB | CG | 68.3° | 60.0° |
| N | CA | CB | HB2 | 56.9° | 180.0° |
| N | CA | CB | HB3 | 166.4° | 60.0° |
| N | CA | C | O | 146.2° | 30.0° |
| N | CA | C | OXT | 33.5° | 150.0° |
| H | N | CA | CB | 179.9° | 60.1° |
| H | N | CA | C | 57.4° | 60.0° |
| H | N | CA | HA | 61.3° | 180.0° |
| H2 | N | CA | CB | 54.8° | 53.8° |
| H2 | N | CA | C | 177.4° | 173.8° |
| H2 | N | CA | HA | 63.8° | 66.2° |
| CB | CA | C | HA | 118.7° | 120.0° |
| CA | CB | CG | HB2 | 125.2° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 116.7° | 120.0° |
| CA | CB | CG | CD | 166.3° | 180.0° |
| CA | CB | CG | HG2 | 41.0° | 59.9° |
| CA | CB | CG | HG3 | 68.4° | 60.0° |
| CB | CA | C | O | 90.4° | 90.0° |
| CB | CA | C | OXT | 89.9° | 90.0° |
| C | CA | CB | CG | 168.3° | 180.0° |
| C | CA | CB | HB2 | 66.4° | 60.0° |
| C | CA | CB | HB3 | 43.1° | 60.0° |
| CA | C | O | OXT | 179.7° | 180.0° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| HA | CA | CB | CG | 49.6° | 60.0° |
| HA | CA | CB | HB2 | 174.8° | 60.0° |
| HA | CA | CB | HB3 | 75.7° | 180.0° |
| HA | CA | C | O | 28.3° | 150.0° |
| HA | CA | C | OXT | 151.4° | 30.0° |
| CG | CB | HB2 | HB3 | 116.7° | 119.9° |
| CB | CG | CD | HG2 | 125.3° | 120.1° |
| CB | CG | CD | HG3 | 125.3° | 120.0° |
| CB | CG | HG2 | HG3 | 116.8° | 120.0° |
| CB | CG | CD | NE | 178.3° | 180.0° |
| CB | CG | CD | HD2 | 53.0° | 59.9° |
| CB | CG | CD | HD3 | 56.4° | 60.0° |
| HB2 | CB | CG | CD | 68.5° | 59.9° |
| HB2 | CB | CG | HG2 | 166.3° | 180.0° |
| HB2 | CB | CG | HG3 | 56.8° | 60.0° |
| HB3 | CB | CG | CD | 41.0° | 60.0° |
| HB3 | CB | CG | HG2 | 84.2° | 60.1° |
| HB3 | CB | CG | HG3 | 166.3° | 180.0° |
| CD | CG | HG2 | HG3 | 116.8° | 120.0° |
| CG | CD | NE | HD2 | 125.3° | 120.1° |
| CG | CD | NE | HD3 | 125.2° | 120.0° |
| CG | CD | HD2 | HD3 | 118.0° | 120.0° |
| CG | CD | NE | CZ | 97.1° | 175.0° |
| CG | CD | NE | HE | 28.1° | 5.0° |
| HG2 | CG | CD | NE | 56.4° | 59.9° |
| HG2 | CG | CD | HD2 | 178.3° | 180.0° |
| HG2 | CG | CD | HD3 | 68.8° | 60.0° |
| HG3 | CG | CD | NE | 53.0° | 60.0° |
| HG3 | CG | CD | HD2 | 72.2° | 60.0° |
| HG3 | CG | CD | HD3 | 178.3° | 180.0° |
| NE | CD | HD2 | HD3 | 118.0° | 119.9° |
| CD | NE | CZ | HE | 125.2° | 180.0° |
| CD | NE | CZ | NH1 | 178.2° | 174.8° |
| CD | NE | CZ | NH2 | 4.7° | 5.2° |
| HD2 | CD | NE | CZ | 28.1° | 55.0° |
| HD2 | CD | NE | HE | 153.4° | 125.1° |
| HD3 | CD | NE | CZ | 137.7° | 64.9° |
| HD3 | CD | NE | HE | 97.1° | 115.0° |
| NE | CZ | NH1 | NH2 | 177.3° | 179.9° |
| NE | CZ | NH1 | CQ1 | 0.1° | 5.2° |
| NE | CZ | NH2 | CQ2 | 0.4° | 180.0° |
| NE | CZ | NH2 | HH2 | 124.8° | 0.1° |
| HE | NE | CZ | NH1 | 52.9° | 5.2° |
| HE | NE | CZ | NH2 | 129.9° | 174.8° |
| CZ | NH1 | CQ1 | HQ11 | 180.0° | 175.1° |
| CZ | NH1 | CQ1 | HQ12 | 54.7° | 64.9° |
| CZ | NH1 | CQ1 | HQ13 | 54.7° | 55.1° |
| NH1 | CZ | NH2 | CQ2 | 176.7° | 0.1° |
| NH1 | CZ | NH2 | HH2 | 58.1° | 180.0° |
| NH2 | CZ | NH1 | CQ1 | 177.4° | 174.8° |
| CZ | NH2 | CQ2 | HH2 | 125.2° | 179.9° |
| CZ | NH2 | CQ2 | HQ21 | 180.0° | 180.0° |
| CZ | NH2 | CQ2 | HQ22 | 54.7° | 60.0° |
| CZ | NH2 | CQ2 | HQ23 | 54.7° | 60.0° |
| NH1 | CQ1 | HQ11 | HQ12 | 125.3° | 120.0° |
| NH1 | CQ1 | HQ11 | HQ13 | 125.3° | 120.0° |
| NH1 | CQ1 | HQ12 | HQ13 | 113.7° | 120.0° |
| HQ11 | CQ1 | HQ12 | HQ13 | 113.6° | 120.0° |
| NH2 | CQ2 | HQ21 | HQ22 | 125.2° | 120.0° |
| NH2 | CQ2 | HQ21 | HQ23 | 125.3° | 120.1° |
| NH2 | CQ2 | HQ22 | HQ23 | 112.3° | 120.0° |
| HH2 | NH2 | CQ2 | HQ21 | 54.8° | 0.0° |
| HH2 | NH2 | CQ2 | HQ22 | 70.5° | 120.0° |
| HH2 | NH2 | CQ2 | HQ23 | 179.9° | 120.0° |
| HQ21 | CQ2 | HQ22 | HQ23 | 112.4° | 120.0° |
| O | C | OXT | HXT | 0.3° | 0.1° |
