RQJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | NAM | sing | 1.47Å | 1.48Å | |
| CAL | CAK | sing | 1.53Å | 1.53Å | |
| CAC | CAD | sing | 1.52Å | 1.52Å | |
| CAC | CAB | sing | 1.50Å | 1.41Å | |
| CAK | CB | sing | 1.53Å | 1.53Å | |
| CAD | N | sing | 1.46Å | 1.47Å | |
| CAB | N | sing | 1.34Å | 1.35Å | |
| CAB | OAE | doub | 1.21Å | 1.23Å | |
| N | CA | sing | 1.46Å | 1.48Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| C | OXT | doub | 1.21Å | 1.25Å | |
| C | O | sing | 1.34Å | 1.25Å | |
| CA | H1 | sing | 1.09Å | 1.10Å | |
| O | H2 | sing | 0.97Å | 0.95Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CAC | H5 | sing | 1.09Å | 1.10Å | |
| CAC | H6 | sing | 1.09Å | 1.10Å | |
| CAD | H7 | sing | 1.09Å | 1.10Å | |
| CAD | H8 | sing | 1.09Å | 1.10Å | |
| CAK | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| NAM | H13 | sing | 1.01Å | 1.00Å | |
| NAM | H14 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAM | CAL | CAK | 110.6° | 109.5° |
| NAM | CAL | H11 | 109.2° | 109.5° |
| NAM | CAL | H12 | 109.2° | 109.5° |
| CAL | NAM | H13 | 109.5° | 111.0° |
| CAL | NAM | H14 | 109.5° | 111.0° |
| CAL | CAK | CB | 110.8° | 109.5° |
| CAL | CAK | H9 | 109.1° | 109.4° |
| CAL | CAK | H10 | 109.1° | 109.5° |
| CAK | CAL | H11 | 109.2° | 109.4° |
| CAK | CAL | H12 | 109.2° | 109.5° |
| CAD | CAC | CAB | 88.3° | 84.9° |
| CAC | CAD | N | 85.2° | 88.0° |
| CAD | CAC | H5 | 114.5° | 114.0° |
| CAD | CAC | H6 | 114.5° | 113.9° |
| CAC | CAD | H7 | 115.2° | 113.5° |
| CAC | CAD | H8 | 115.2° | 113.5° |
| CAC | CAB | N | 94.4° | 93.5° |
| CAC | CAB | OAE | 133.7° | 133.2° |
| CAB | CAC | H5 | 114.5° | 114.2° |
| CAB | CAC | H6 | 114.4° | 113.8° |
| CAK | CB | CA | 109.8° | 109.4° |
| CAK | CB | H3 | 109.4° | 109.5° |
| CAK | CB | H4 | 109.4° | 109.5° |
| CB | CAK | H9 | 109.2° | 109.5° |
| CB | CAK | H10 | 109.2° | 109.5° |
| CAD | N | CAB | 92.2° | 93.6° |
| CAD | N | CA | 134.1° | 133.2° |
| N | CAD | H7 | 115.2° | 113.6° |
| N | CAD | H8 | 115.1° | 113.3° |
| N | CAB | OAE | 131.8° | 133.2° |
| CAB | N | CA | 133.7° | 133.2° |
| N | CA | CB | 109.8° | 109.5° |
| N | CA | C | 112.1° | 109.5° |
| N | CA | H1 | 108.7° | 109.4° |
| CB | CA | C | 109.9° | 109.4° |
| CB | CA | H1 | 108.2° | 109.5° |
| CA | CB | H3 | 109.4° | 109.4° |
| CA | CB | H4 | 109.4° | 109.5° |
| CA | C | OXT | 118.2° | 120.0° |
| CA | C | O | 116.6° | 120.0° |
| C | CA | H1 | 108.0° | 109.5° |
| OXT | C | O | 125.2° | 120.0° |
| C | O | H2 | 109.5° | 117.0° |
| H3 | CB | H4 | 109.5° | 109.5° |
| H5 | CAC | H6 | 109.5° | 113.1° |
| H7 | CAD | H8 | 109.5° | 112.8° |
| H9 | CAK | H10 | 109.5° | 109.5° |
| H11 | CAL | H12 | 109.5° | 109.5° |
| H13 | NAM | H14 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAM | CAL | CAK | H11 | 120.2° | 120.0° |
| NAM | CAL | CAK | H12 | 120.2° | 120.0° |
| NAM | CAL | CAK | CB | 112.9° | 180.0° |
| NAM | CAL | CAK | H9 | 126.9° | 60.0° |
| NAM | CAL | CAK | H10 | 7.3° | 60.0° |
| NAM | CAL | H11 | H12 | 119.5° | 120.0° |
| CAL | NAM | H13 | H14 | 120.0° | 124.0° |
| CAL | CAK | CB | H9 | 120.2° | 119.9° |
| CAL | CAK | CB | H10 | 120.2° | 120.0° |
| CAL | CAK | CB | CA | 173.3° | 180.0° |
| CAL | CAK | CB | H3 | 53.3° | 60.1° |
| CAL | CAK | CB | H4 | 66.6° | 60.0° |
| CAL | CAK | H9 | H10 | 119.4° | 120.0° |
| CAK | CAL | H11 | H12 | 119.5° | 120.0° |
| CAK | CAL | NAM | H13 | 180.0° | 56.0° |
| CAK | CAL | NAM | H14 | 60.0° | 179.9° |
| CAD | CAC | CAB | H5 | 116.2° | 114.0° |
| CAD | CAC | CAB | H6 | 116.2° | 113.9° |
| CAC | CAD | N | H7 | 115.6° | 114.8° |
| CAC | CAD | N | H8 | 115.6° | 114.8° |
| CAD | CAC | CAB | N | 0.4° | 0.2° |
| CAD | CAC | CAB | OAE | 178.2° | 179.8° |
| CAC | CAD | N | CA | 177.5° | 180.0° |
| CAD | CAC | H5 | H6 | 130.1° | 132.3° |
| CAC | CAD | H7 | H8 | 131.6° | 130.8° |
| CAC | CAB | N | OAE | 178.6° | 180.0° |
| CAC | CAB | N | CA | 177.5° | 180.0° |
| CAB | CAC | H5 | H6 | 130.1° | 132.4° |
| CAB | CAC | CAD | H7 | 116.0° | 114.7° |
| CAB | CAC | CAD | H8 | 115.2° | 114.8° |
| CAK | CB | CA | N | 54.6° | 65.0° |
| CAK | CB | CA | H3 | 120.1° | 120.0° |
| CAK | CB | CA | H4 | 120.0° | 120.0° |
| CAK | CB | CA | C | 178.4° | 175.0° |
| CAK | CB | CA | H1 | 63.9° | 55.0° |
| CAK | CB | H3 | H4 | 119.9° | 120.0° |
| CB | CAK | H9 | H10 | 119.4° | 120.0° |
| CB | CAK | CAL | H11 | 7.3° | 60.0° |
| CB | CAK | CAL | H12 | 126.9° | 60.0° |
| CAD | N | CAB | CA | 177.9° | 179.8° |
| CAD | N | CAB | OAE | 178.2° | 179.8° |
| CAD | N | CA | CB | 50.7° | 119.7° |
| CAD | N | CA | C | 71.8° | 120.3° |
| CAD | N | CA | H1 | 168.9° | 0.3° |
| N | CAD | CAC | H5 | 116.6° | 114.1° |
| N | CAD | CAC | H6 | 115.8° | 114.0° |
| N | CAD | H7 | H8 | 131.6° | 130.6° |
| CAB | N | CA | CB | 126.3° | 60.0° |
| CAB | N | CA | C | 111.1° | 60.0° |
| CAB | N | CA | H1 | 8.2° | 180.0° |
| N | CAB | CAC | H5 | 116.6° | 113.8° |
| N | CAB | CAC | H6 | 115.8° | 114.2° |
| CAB | N | CAD | H7 | 116.0° | 114.6° |
| CAB | N | CAD | H8 | 115.2° | 115.0° |
| OAE | CAB | N | CA | 3.9° | 0.0° |
| OAE | CAB | CAC | H5 | 62.0° | 66.2° |
| OAE | CAB | CAC | H6 | 65.6° | 65.9° |
| N | CA | CB | C | 123.8° | 120.0° |
| N | CA | CB | H1 | 118.5° | 120.0° |
| N | CA | C | H1 | 119.8° | 120.0° |
| N | CA | C | OXT | 5.8° | 0.0° |
| N | CA | C | O | 173.3° | 180.0° |
| N | CA | CB | H3 | 174.7° | 55.0° |
| N | CA | CB | H4 | 65.4° | 175.1° |
| CA | N | CAD | H7 | 61.9° | 65.2° |
| CA | N | CAD | H8 | 66.9° | 65.2° |
| CB | CA | C | H1 | 117.8° | 120.0° |
| CB | CA | C | OXT | 116.6° | 120.0° |
| CB | CA | C | O | 64.3° | 60.1° |
| CA | CB | H3 | H4 | 119.8° | 120.0° |
| CA | CB | CAK | H9 | 66.5° | 60.0° |
| CA | CB | CAK | H10 | 53.1° | 60.0° |
| CA | C | OXT | O | 179.1° | 179.9° |
| CA | C | O | H2 | 179.1° | 180.0° |
| C | CA | CB | H3 | 61.5° | 65.0° |
| C | CA | CB | H4 | 58.4° | 55.1° |
| OXT | C | CA | H1 | 125.6° | 120.0° |
| OXT | C | O | H2 | 0.0° | 0.0° |
| O | C | CA | H1 | 53.5° | 60.0° |
| H1 | CA | CB | H3 | 56.2° | 175.0° |
| H1 | CA | CB | H4 | 176.1° | 65.0° |
| H3 | CB | CAK | H9 | 173.5° | 180.0° |
| H3 | CB | CAK | H10 | 66.9° | 60.0° |
| H4 | CB | CAK | H9 | 53.5° | 59.9° |
| H4 | CB | CAK | H10 | 173.1° | 179.9° |
| H5 | CAC | CAD | H7 | 127.8° | 131.0° |
| H5 | CAC | CAD | H8 | 1.1° | 0.5° |
| H6 | CAC | CAD | H7 | 0.2° | 0.9° |
| H6 | CAC | CAD | H8 | 128.6° | 131.4° |
| H9 | CAK | CAL | H11 | 112.9° | 180.0° |
| H9 | CAK | CAL | H12 | 6.7° | 60.0° |
| H10 | CAK | CAL | H11 | 127.5° | 60.0° |
| H10 | CAK | CAL | H12 | 112.9° | 180.0° |
| H11 | CAL | NAM | H13 | 59.8° | 64.0° |
| H11 | CAL | NAM | H14 | 60.2° | 60.0° |
| H12 | CAL | NAM | H13 | 59.8° | 176.0° |
| H12 | CAL | NAM | H14 | 179.8° | 60.0° |
