ALJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | NP | sing | 1.35Å | 1.40Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| NP | CDP | sing | 1.48Å | 1.48Å | |
| NP | CAP | sing | 1.48Å | 1.47Å | |
| CDP | CGP | sing | 1.54Å | 1.53Å | |
| CDP | HDP1 | sing | 1.09Å | 1.11Å | |
| CDP | HDP2 | sing | 1.09Å | 1.11Å | |
| CGP | CBP | sing | 1.55Å | 1.53Å | |
| CGP | HGP1 | sing | 1.09Å | 1.11Å | |
| CGP | HGP2 | sing | 1.09Å | 1.11Å | |
| CBP | CAP | sing | 1.55Å | 1.53Å | |
| CBP | HBP1 | sing | 1.09Å | 1.11Å | |
| CBP | HBP2 | sing | 1.09Å | 1.12Å | |
| CAP | CP | sing | 1.51Å | 1.53Å | |
| CAP | HAP | sing | 1.09Å | 1.11Å | |
| CP | OP | doub | 1.21Å | 1.23Å | |
| CP | N | sing | 1.35Å | 1.40Å | |
| N | CA | sing | 1.46Å | 1.47Å | |
| N | H | sing | 0.97Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HBC1 | sing | 1.09Å | 1.11Å | |
| CB | HBC2 | sing | 1.09Å | 1.12Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CG | HGC1 | sing | 1.09Å | 1.12Å | |
| CG | HGC2 | sing | 1.09Å | 1.12Å | |
| CD | NE | sing | 1.46Å | 1.47Å | |
| CD | HDC1 | sing | 1.09Å | 1.12Å | |
| CD | HDC2 | sing | 1.09Å | 1.11Å | |
| NE | CZ | doub | 1.30Å | 1.33Å | |
| CZ | NH1 | sing | 1.37Å | 1.33Å | |
| CZ | NH2 | sing | 1.37Å | 1.33Å | |
| NH1 | HH11 | sing | 0.97Å | 1.02Å | |
| NH1 | HH12 | sing | 0.97Å | 1.02Å | |
| NH2 | HH21 | sing | 0.97Å | 1.02Å | |
| NH2 | HH22 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | NP | 120.0° | 121.1° |
| O | C | CA | 120.6° | 121.0° |
| NP | C | CA | 119.4° | 117.8° |
| C | NP | CDP | 132.0° | 128.7° |
| C | NP | CAP | 119.8° | 123.1° |
| C | CA | N | 109.9° | 109.7° |
| C | CA | CB | 111.3° | 109.4° |
| C | CA | HA | 108.3° | 109.4° |
| CDP | NP | CAP | 108.1° | 108.2° |
| NP | CDP | CGP | 103.7° | 107.4° |
| NP | CDP | HDP1 | 114.4° | 110.4° |
| NP | CDP | HDP2 | 114.4° | 109.2° |
| NP | CAP | CBP | 103.6° | 105.1° |
| NP | CAP | CP | 110.4° | 107.6° |
| NP | CAP | HAP | 110.4° | 111.5° |
| CGP | CDP | HDP1 | 114.4° | 109.9° |
| CGP | CDP | HDP2 | 114.4° | 109.9° |
| CDP | CGP | CBP | 101.0° | 103.1° |
| CDP | CGP | HGP1 | 115.5° | 110.7° |
| CDP | CGP | HGP2 | 115.4° | 110.7° |
| HDP1 | CDP | HDP2 | 96.1° | 110.0° |
| CBP | CGP | HGP1 | 115.4° | 110.7° |
| CBP | CGP | HGP2 | 115.5° | 110.7° |
| CGP | CBP | CAP | 98.4° | 101.5° |
| CGP | CBP | HBP1 | 116.5° | 111.0° |
| CGP | CBP | HBP2 | 116.5° | 111.0° |
| HGP1 | CGP | HGP2 | 95.0° | 110.7° |
| CAP | CBP | HBP1 | 116.5° | 111.0° |
| CAP | CBP | HBP2 | 116.5° | 111.0° |
| CBP | CAP | CP | 111.5° | 109.8° |
| CBP | CAP | HAP | 110.4° | 111.4° |
| HBP1 | CBP | HBP2 | 93.9° | 110.9° |
| CP | CAP | HAP | 110.4° | 111.3° |
| CAP | CP | OP | 120.3° | 120.1° |
| CAP | CP | N | 118.9° | 119.8° |
| OP | CP | N | 120.8° | 120.1° |
| CP | N | CA | 120.4° | 121.6° |
| CP | N | H | 119.8° | 119.2° |
| CA | N | H | 119.8° | 119.2° |
| N | CA | CB | 110.5° | 109.4° |
| N | CA | HA | 108.3° | 109.4° |
| CB | CA | HA | 108.4° | 109.4° |
| CA | CB | CG | 107.3° | 109.5° |
| CA | CB | HBC1 | 113.0° | 109.5° |
| CA | CB | HBC2 | 113.0° | 109.5° |
| CG | CB | HBC1 | 113.0° | 109.5° |
| CG | CB | HBC2 | 113.0° | 109.5° |
| CB | CG | CD | 112.9° | 109.5° |
| CB | CG | HGC1 | 110.9° | 109.5° |
| CB | CG | HGC2 | 110.9° | 109.5° |
| HBC1 | CB | HBC2 | 97.4° | 109.5° |
| CD | CG | HGC1 | 110.9° | 109.5° |
| CD | CG | HGC2 | 111.0° | 109.5° |
| CG | CD | NE | 105.1° | 109.5° |
| CG | CD | HDC1 | 113.8° | 109.5° |
| CG | CD | HDC2 | 113.8° | 109.5° |
| HGC1 | CG | HGC2 | 99.4° | 109.5° |
| NE | CD | HDC1 | 113.8° | 109.5° |
| NE | CD | HDC2 | 113.8° | 109.5° |
| CD | NE | CZ | 120.6° | 120.0° |
| HDC1 | CD | HDC2 | 96.7° | 109.5° |
| NE | CZ | NH1 | 120.5° | 120.0° |
| NE | CZ | NH2 | 119.8° | 119.9° |
| NH1 | CZ | NH2 | 119.6° | 120.0° |
| CZ | NH1 | HH11 | 120.5° | 120.0° |
| CZ | NH1 | HH12 | 119.6° | 120.0° |
| CZ | NH2 | HH21 | 119.9° | 120.0° |
| CZ | NH2 | HH22 | 119.6° | 120.0° |
| HH11 | NH1 | HH12 | 119.9° | 120.0° |
| HH21 | NH2 | HH22 | 120.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | NP | CA | 178.8° | 179.2° |
| O | C | NP | CDP | 5.0° | 5.0° |
| O | C | NP | CAP | 179.3° | 177.1° |
| O | C | CA | N | 145.1° | 146.6° |
| O | C | CA | CB | 22.3° | 26.5° |
| O | C | CA | HA | 96.7° | 93.4° |
| C | NP | CDP | CAP | 176.1° | 178.1° |
| C | NP | CDP | CGP | 175.2° | 176.3° |
| C | NP | CDP | HDP1 | 59.6° | 56.6° |
| C | NP | CDP | HDP2 | 49.9° | 64.6° |
| C | NP | CAP | CBP | 154.4° | 153.4° |
| C | NP | CAP | CP | 34.9° | 36.5° |
| C | NP | CAP | HAP | 87.4° | 85.8° |
| NP | C | CA | N | 36.1° | 32.7° |
| NP | C | CA | CB | 158.9° | 152.7° |
| NP | C | CA | HA | 82.0° | 87.4° |
| CA | C | NP | CDP | 176.2° | 174.3° |
| CA | C | NP | CAP | 0.5° | 3.6° |
| C | CA | N | CP | 35.2° | 35.6° |
| C | CA | N | CB | 123.3° | 120.0° |
| C | CA | N | HA | 118.1° | 120.1° |
| C | CA | N | H | 144.8° | 144.5° |
| C | CA | CB | HA | 119.0° | 119.9° |
| C | CA | CB | CG | 161.6° | 179.9° |
| C | CA | CB | HBC1 | 36.4° | 59.9° |
| C | CA | CB | HBC2 | 73.1° | 60.1° |
| NP | CDP | CGP | HDP1 | 125.3° | 120.1° |
| NP | CDP | CGP | HDP2 | 125.3° | 118.7° |
| NP | CDP | HDP1 | HDP2 | 120.3° | 120.6° |
| NP | CDP | CGP | CBP | 36.3° | 21.7° |
| NP | CDP | CGP | HGP1 | 161.5° | 140.1° |
| NP | CDP | CGP | HGP2 | 89.0° | 96.7° |
| CDP | NP | CAP | CBP | 22.2° | 24.9° |
| CDP | NP | CAP | CP | 141.7° | 141.8° |
| CDP | NP | CAP | HAP | 96.0° | 95.9° |
| CAP | NP | CDP | CGP | 8.8° | 1.8° |
| CAP | NP | CDP | HDP1 | 116.5° | 121.6° |
| CAP | NP | CDP | HDP2 | 134.1° | 117.3° |
| NP | CAP | CBP | CGP | 43.8° | 37.5° |
| NP | CAP | CBP | CP | 118.7° | 115.4° |
| NP | CAP | CBP | HAP | 118.2° | 120.8° |
| NP | CAP | CBP | HBP1 | 169.1° | 80.6° |
| NP | CAP | CBP | HBP2 | 81.4° | 155.6° |
| NP | CAP | CP | HAP | 122.4° | 122.4° |
| NP | CAP | CP | OP | 144.8° | 146.4° |
| NP | CAP | CP | N | 35.9° | 33.6° |
| CGP | CDP | HDP1 | HDP2 | 120.3° | 121.1° |
| CDP | CGP | CBP | HGP1 | 125.3° | 118.4° |
| CDP | CGP | CBP | HGP2 | 125.3° | 118.4° |
| CDP | CGP | HGP1 | HGP2 | 121.3° | 123.2° |
| CDP | CGP | CBP | CAP | 48.7° | 35.4° |
| CDP | CGP | CBP | HBP1 | 173.9° | 82.6° |
| CDP | CGP | CBP | HBP2 | 76.6° | 153.5° |
| HDP1 | CDP | CGP | CBP | 89.0° | 98.4° |
| HDP1 | CDP | CGP | HGP1 | 36.2° | 20.0° |
| HDP1 | CDP | CGP | HGP2 | 145.7° | 143.2° |
| HDP2 | CDP | CGP | CBP | 161.5° | 140.3° |
| HDP2 | CDP | CGP | HGP1 | 73.2° | 101.2° |
| HDP2 | CDP | CGP | HGP2 | 36.2° | 21.9° |
| CBP | CGP | HGP1 | HGP2 | 121.3° | 123.1° |
| CGP | CBP | CAP | HBP1 | 125.3° | 118.1° |
| CGP | CBP | CAP | HBP2 | 125.2° | 118.1° |
| CGP | CBP | HBP1 | HBP2 | 122.2° | 124.0° |
| CGP | CBP | CAP | CP | 162.5° | 152.9° |
| CGP | CBP | CAP | HAP | 74.4° | 83.3° |
| HGP1 | CGP | CBP | CAP | 173.9° | 153.9° |
| HGP1 | CGP | CBP | HBP1 | 60.8° | 35.8° |
| HGP1 | CGP | CBP | HBP2 | 48.7° | 88.0° |
| HGP2 | CGP | CBP | CAP | 76.6° | 83.0° |
| HGP2 | CGP | CBP | HBP1 | 48.7° | 159.0° |
| HGP2 | CGP | CBP | HBP2 | 158.1° | 35.1° |
| CAP | CBP | HBP1 | HBP2 | 122.3° | 123.9° |
| CBP | CAP | CP | HAP | 123.1° | 123.8° |
| CBP | CAP | CP | OP | 30.3° | 32.6° |
| CBP | CAP | CP | N | 150.4° | 147.4° |
| HBP1 | CBP | CAP | CP | 72.2° | 34.8° |
| HBP1 | CBP | CAP | HAP | 50.9° | 158.6° |
| HBP2 | CBP | CAP | CP | 37.3° | 89.0° |
| HBP2 | CBP | CAP | HAP | 160.4° | 34.8° |
| CAP | CP | OP | N | 179.3° | 179.9° |
| CAP | CP | N | CA | 0.0° | 1.6° |
| CAP | CP | N | H | 180.0° | 178.4° |
| HAP | CAP | CP | OP | 92.8° | 91.2° |
| HAP | CAP | CP | N | 86.5° | 88.7° |
| OP | CP | N | CA | 179.4° | 178.3° |
| OP | CP | N | H | 0.7° | 1.7° |
| CP | N | CA | H | 180.0° | 180.0° |
| CP | N | CA | CB | 158.5° | 155.6° |
| CP | N | CA | HA | 82.9° | 84.5° |
| N | CA | CB | HA | 118.6° | 119.9° |
| N | CA | CB | CG | 76.0° | 59.9° |
| N | CA | CB | HBC1 | 158.8° | 179.9° |
| N | CA | CB | HBC2 | 49.3° | 60.1° |
| H | N | CA | CB | 21.5° | 24.4° |
| H | N | CA | HA | 97.1° | 95.5° |
| CA | CB | CG | HBC1 | 125.3° | 120.0° |
| CA | CB | CG | HBC2 | 125.3° | 120.0° |
| CA | CB | HBC1 | HBC2 | 118.9° | 120.0° |
| CA | CB | CG | CD | 171.9° | 180.0° |
| CA | CB | CG | HGC1 | 62.9° | 60.0° |
| CA | CB | CG | HGC2 | 46.6° | 60.0° |
| HA | CA | CB | CG | 42.6° | 60.0° |
| HA | CA | CB | HBC1 | 82.7° | 60.0° |
| HA | CA | CB | HBC2 | 167.9° | 180.0° |
| CG | CB | HBC1 | HBC2 | 118.9° | 120.0° |
| CB | CG | CD | HGC1 | 125.2° | 120.0° |
| CB | CG | CD | HGC2 | 125.2° | 120.0° |
| CB | CG | HGC1 | HGC2 | 116.8° | 120.0° |
| CB | CG | CD | NE | 178.4° | 180.0° |
| CB | CG | CD | HDC1 | 56.3° | 60.0° |
| CB | CG | CD | HDC2 | 53.2° | 60.0° |
| HBC1 | CB | CG | CD | 46.6° | 60.0° |
| HBC1 | CB | CG | HGC1 | 171.8° | 180.0° |
| HBC1 | CB | CG | HGC2 | 78.7° | 60.0° |
| HBC2 | CB | CG | CD | 62.9° | 60.0° |
| HBC2 | CB | CG | HGC1 | 62.4° | 60.0° |
| HBC2 | CB | CG | HGC2 | 171.9° | 180.0° |
| CD | CG | HGC1 | HGC2 | 116.8° | 120.0° |
| CG | CD | NE | HDC1 | 125.3° | 120.0° |
| CG | CD | NE | HDC2 | 125.3° | 120.0° |
| CG | CD | HDC1 | HDC2 | 119.8° | 120.0° |
| CG | CD | NE | CZ | 106.9° | 116.9° |
| HGC1 | CG | CD | NE | 53.2° | 60.0° |
| HGC1 | CG | CD | HDC1 | 178.4° | 180.0° |
| HGC1 | CG | CD | HDC2 | 72.1° | 60.0° |
| HGC2 | CG | CD | NE | 56.3° | 60.0° |
| HGC2 | CG | CD | HDC1 | 68.9° | 60.0° |
| HGC2 | CG | CD | HDC2 | 178.4° | 180.0° |
| NE | CD | HDC1 | HDC2 | 119.7° | 120.0° |
| CD | NE | CZ | NH1 | 4.6° | 173.7° |
| CD | NE | CZ | NH2 | 178.4° | 6.2° |
| HDC1 | CD | NE | CZ | 127.8° | 123.1° |
| HDC2 | CD | NE | CZ | 18.4° | 3.1° |
| NE | CZ | NH1 | NH2 | 177.0° | 179.9° |
| NE | CZ | NH1 | HH11 | 180.0° | 180.0° |
| NE | CZ | NH1 | HH12 | 3.0° | 0.4° |
| NE | CZ | NH2 | HH21 | 180.0° | 170.2° |
| NE | CZ | NH2 | HH22 | 3.0° | 9.8° |
| CZ | NH1 | HH11 | HH12 | 177.0° | 179.6° |
| NH1 | CZ | NH2 | HH21 | 3.0° | 9.6° |
| NH1 | CZ | NH2 | HH22 | 180.0° | 170.3° |
| NH2 | CZ | NH1 | HH11 | 3.0° | 0.1° |
| NH2 | CZ | NH1 | HH12 | 180.0° | 179.7° |
| CZ | NH2 | HH21 | HH22 | 177.0° | 179.9° |
