ZUN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAW | sing | 1.51Å | 1.54Å | |
| CAW | CAK | sing | 1.41Å | 1.35Å | Aromatic |
| CAW | NAQ | doub | 1.30Å | 1.33Å | Aromatic |
| CAK | CAZ | doub | 1.35Å | 1.33Å | Aromatic |
| NAQ | OAT | sing | 1.21Å | 1.41Å | Aromatic |
| OAT | CAZ | sing | 1.34Å | 1.35Å | Aromatic |
| CAZ | CAM | sing | 1.51Å | 1.52Å | |
| CAM | CAU | sing | 1.51Å | 1.54Å | |
| CAU | OAB | doub | 1.21Å | 1.22Å | |
| CAU | N | sing | 1.35Å | 1.36Å | |
| N | CD2 | sing | 1.47Å | 1.48Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CD2 | CG | sing | 1.55Å | 1.51Å | |
| CG | OD1 | sing | 1.43Å | 1.40Å | |
| CG | CB | sing | 1.55Å | 1.51Å | |
| CB | CA | sing | 1.54Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | NAR | sing | 1.35Å | 1.32Å | |
| NAR | CAL | sing | 1.46Å | 1.47Å | |
| CAL | CAX | sing | 1.51Å | 1.52Å | |
| CAX | CAE | sing | 1.38Å | 1.41Å | Aromatic |
| CAX | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAY | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.38Å | Aromatic |
| CAH | CAY | doub | 1.39Å | 1.40Å | Aromatic |
| CAY | NBB | sing | 1.40Å | 1.34Å | |
| OAD | NBB | sing | 1.42Å | 1.46Å | |
| OAS | NBB | sing | 1.42Å | 1.45Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| OD1 | HD1 | sing | 0.97Å | 0.95Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| NAR | HAR | sing | 0.97Å | 1.00Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| OAS | HAS | sing | 0.97Å | 0.95Å | |
| OAD | HAD | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAW | CAK | 126.0° | 126.8° |
| CAA | CAW | NAQ | 123.1° | 126.9° |
| CAW | CAA | HAA1 | 109.5° | 109.5° |
| CAW | CAA | HAA2 | 109.5° | 109.4° |
| CAW | CAA | HAA3 | 109.5° | 109.5° |
| CAK | CAW | NAQ | 110.9° | 106.3° |
| CAW | CAK | CAZ | 107.8° | 104.0° |
| CAW | CAK | HAK | 126.1° | 128.0° |
| CAW | NAQ | OAT | 105.2° | 111.7° |
| CAK | CAZ | OAT | 108.7° | 106.5° |
| CAK | CAZ | CAM | 130.4° | 126.8° |
| CAZ | CAK | HAK | 126.1° | 128.0° |
| NAQ | OAT | CAZ | 107.3° | 111.5° |
| OAT | CAZ | CAM | 120.8° | 126.7° |
| CAZ | CAM | CAU | 105.5° | 109.5° |
| CAZ | CAM | HAM1 | 110.5° | 109.5° |
| CAZ | CAM | HAM2 | 110.5° | 109.4° |
| CAM | CAU | OAB | 118.1° | 120.0° |
| CAM | CAU | N | 122.8° | 120.1° |
| CAU | CAM | HAM1 | 110.5° | 109.5° |
| CAU | CAM | HAM2 | 110.5° | 109.5° |
| OAB | CAU | N | 119.0° | 120.0° |
| CAU | N | CD2 | 123.9° | 125.6° |
| CAU | N | CA | 126.0° | 125.7° |
| CD2 | N | CA | 110.0° | 108.7° |
| N | CD2 | CG | 106.7° | 104.9° |
| N | CD2 | HD21 | 110.2° | 110.4° |
| N | CD2 | HD22 | 110.2° | 110.3° |
| N | CA | CB | 105.2° | 107.3° |
| N | CA | C | 109.5° | 109.9° |
| N | CA | HA | 112.2° | 109.9° |
| CD2 | CG | OD1 | 105.1° | 111.0° |
| CD2 | CG | CB | 106.7° | 101.6° |
| CG | CD2 | HD21 | 110.2° | 110.4° |
| CG | CD2 | HD22 | 110.2° | 110.4° |
| CD2 | CG | HG | 111.3° | 111.0° |
| OD1 | CG | CB | 108.7° | 111.0° |
| OD1 | CG | HG | 113.3° | 110.9° |
| CG | OD1 | HD1 | 109.5° | 114.0° |
| CG | CB | CA | 105.3° | 103.0° |
| CB | CG | HG | 111.3° | 111.1° |
| CG | CB | HB1C | 110.5° | 110.7° |
| CG | CB | HB2C | 110.5° | 110.7° |
| CB | CA | C | 107.3° | 110.0° |
| CB | CA | HA | 111.1° | 109.8° |
| CA | CB | HB1C | 110.5° | 110.9° |
| CA | CB | HB2C | 110.5° | 110.5° |
| CA | C | O | 121.9° | 120.0° |
| CA | C | NAR | 114.4° | 120.0° |
| C | CA | HA | 111.2° | 110.0° |
| O | C | NAR | 123.7° | 120.0° |
| C | NAR | CAL | 122.1° | 120.0° |
| C | NAR | HAR | 118.9° | 120.0° |
| NAR | CAL | CAX | 109.6° | 109.5° |
| CAL | NAR | HAR | 119.0° | 120.0° |
| NAR | CAL | HAL1 | 109.5° | 109.5° |
| NAR | CAL | HAL2 | 109.5° | 109.5° |
| CAL | CAX | CAE | 122.8° | 119.9° |
| CAL | CAX | CAF | 116.6° | 119.9° |
| CAX | CAL | HAL1 | 109.4° | 109.4° |
| CAX | CAL | HAL2 | 109.4° | 109.5° |
| CAE | CAX | CAF | 120.6° | 120.2° |
| CAX | CAE | CAG | 120.2° | 120.1° |
| CAX | CAE | HAE | 119.9° | 120.0° |
| CAX | CAF | CAH | 119.0° | 120.0° |
| CAX | CAF | HAF | 120.5° | 120.0° |
| CAE | CAG | CAY | 119.1° | 119.9° |
| CAG | CAE | HAE | 119.9° | 120.0° |
| CAE | CAG | HAG | 120.5° | 120.0° |
| CAG | CAY | CAH | 119.8° | 119.8° |
| CAG | CAY | NBB | 123.6° | 120.1° |
| CAY | CAG | HAG | 120.5° | 120.0° |
| CAF | CAH | CAY | 121.4° | 119.9° |
| CAH | CAF | HAF | 120.5° | 119.9° |
| CAF | CAH | HAH | 119.3° | 120.1° |
| CAH | CAY | NBB | 116.6° | 120.1° |
| CAY | CAH | HAH | 119.3° | 120.0° |
| CAY | NBB | OAD | 123.8° | 120.0° |
| CAY | NBB | OAS | 117.0° | 120.0° |
| OAD | NBB | OAS | 119.2° | 120.0° |
| NBB | OAD | HAD | 109.5° | 114.0° |
| NBB | OAS | HAS | 109.5° | 114.0° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.4° |
| HAM1 | CAM | HAM2 | 109.5° | 109.4° |
| HD21 | CD2 | HD22 | 109.4° | 110.3° |
| HB1C | CB | HB2C | 109.5° | 110.8° |
| HAL1 | CAL | HAL2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAW | CAK | NAQ | 179.3° | 179.8° |
| CAA | CAW | CAK | CAZ | 178.8° | 180.0° |
| CAA | CAW | NAQ | OAT | 179.7° | 180.0° |
| CAW | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAW | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAW | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | CAW | CAK | HAK | 1.2° | 0.0° |
| CAW | CAK | CAZ | HAK | 180.0° | 180.0° |
| CAK | CAW | NAQ | OAT | 0.4° | 0.2° |
| CAW | CAK | CAZ | OAT | 1.2° | 0.1° |
| CAW | CAK | CAZ | CAM | 178.4° | 179.9° |
| CAK | CAW | CAA | HAA1 | 179.2° | 89.9° |
| CAK | CAW | CAA | HAA2 | 60.8° | 150.0° |
| CAK | CAW | CAA | HAA3 | 59.1° | 30.1° |
| NAQ | CAW | CAK | CAZ | 0.5° | 0.2° |
| CAW | NAQ | OAT | CAZ | 1.2° | 0.1° |
| NAQ | CAW | CAA | HAA1 | 0.0° | 90.3° |
| NAQ | CAW | CAA | HAA2 | 120.0° | 29.8° |
| NAQ | CAW | CAA | HAA3 | 120.0° | 149.7° |
| NAQ | CAW | CAK | HAK | 179.5° | 179.8° |
| CAK | CAZ | OAT | NAQ | 1.5° | 0.0° |
| CAK | CAZ | OAT | CAM | 177.5° | 179.8° |
| CAK | CAZ | CAM | CAU | 81.5° | 90.0° |
| CAK | CAZ | CAM | HAM1 | 159.2° | 150.0° |
| CAK | CAZ | CAM | HAM2 | 37.9° | 30.0° |
| NAQ | OAT | CAZ | CAM | 179.0° | 179.8° |
| OAT | CAZ | CAM | CAU | 95.4° | 89.8° |
| OAT | CAZ | CAK | HAK | 178.8° | 179.9° |
| OAT | CAZ | CAM | HAM1 | 24.0° | 30.3° |
| OAT | CAZ | CAM | HAM2 | 145.2° | 150.2° |
| CAZ | CAM | CAU | HAM1 | 119.4° | 120.1° |
| CAZ | CAM | CAU | HAM2 | 119.4° | 120.0° |
| CAZ | CAM | CAU | OAB | 91.7° | 0.0° |
| CAZ | CAM | CAU | N | 86.6° | 180.0° |
| CAM | CAZ | CAK | HAK | 1.6° | 0.1° |
| CAZ | CAM | HAM1 | HAM2 | 121.8° | 119.9° |
| CAM | CAU | OAB | N | 178.4° | 180.0° |
| CAM | CAU | N | CD2 | 3.4° | 0.0° |
| CAM | CAU | N | CA | 179.1° | 179.8° |
| CAU | CAM | HAM1 | HAM2 | 121.9° | 120.0° |
| OAB | CAU | N | CD2 | 178.4° | 180.0° |
| OAB | CAU | N | CA | 2.6° | 0.2° |
| OAB | CAU | CAM | HAM1 | 148.9° | 120.0° |
| OAB | CAU | CAM | HAM2 | 27.6° | 120.0° |
| CAU | N | CD2 | CA | 176.3° | 179.8° |
| CAU | N | CD2 | CG | 170.3° | 155.9° |
| CAU | N | CA | CB | 157.0° | 178.8° |
| CAU | N | CA | C | 41.9° | 61.6° |
| N | CAU | CAM | HAM1 | 32.8° | 60.0° |
| N | CAU | CAM | HAM2 | 154.1° | 60.0° |
| CAU | N | CD2 | HD21 | 70.1° | 37.0° |
| CAU | N | CD2 | HD22 | 50.7° | 85.2° |
| CAU | N | CA | HA | 82.1° | 59.5° |
| N | CD2 | CG | HD21 | 119.6° | 118.9° |
| N | CD2 | CG | HD22 | 119.6° | 118.8° |
| N | CD2 | CG | OD1 | 105.4° | 81.1° |
| N | CD2 | CG | CB | 10.0° | 37.0° |
| CD2 | N | CA | CB | 19.3° | 1.4° |
| CD2 | N | CA | C | 134.4° | 118.2° |
| N | CD2 | HD21 | HD22 | 121.3° | 122.2° |
| CD2 | N | CA | HA | 101.6° | 120.7° |
| N | CD2 | CG | HG | 131.6° | 155.1° |
| CA | N | CD2 | CG | 6.0° | 24.3° |
| N | CA | CB | CG | 24.9° | 21.9° |
| N | CA | CB | C | 116.6° | 119.4° |
| N | CA | CB | HA | 121.6° | 119.4° |
| N | CA | C | HA | 124.5° | 121.1° |
| N | CA | C | O | 33.8° | 18.6° |
| N | CA | C | NAR | 147.8° | 161.5° |
| CA | N | CD2 | HD21 | 113.5° | 143.2° |
| CA | N | CD2 | HD22 | 125.6° | 94.6° |
| N | CA | CB | HB1C | 144.2° | 140.4° |
| N | CA | CB | HB2C | 94.5° | 96.4° |
| CD2 | CG | OD1 | CB | 113.9° | 112.2° |
| CD2 | CG | OD1 | HG | 121.7° | 123.9° |
| CD2 | CG | CB | HG | 121.6° | 118.1° |
| CD2 | CG | CB | CA | 21.4° | 35.3° |
| CG | CD2 | HD21 | HD22 | 121.3° | 122.3° |
| CD2 | CG | OD1 | HD1 | 180.0° | 61.5° |
| CD2 | CG | CB | HB1C | 140.7° | 153.9° |
| CD2 | CG | CB | HB2C | 97.9° | 82.9° |
| OD1 | CG | CB | HG | 125.5° | 123.8° |
| OD1 | CG | CB | CA | 91.5° | 82.8° |
| OD1 | CG | CD2 | HD21 | 14.2° | 37.8° |
| OD1 | CG | CD2 | HD22 | 135.1° | 160.1° |
| OD1 | CG | CB | HB1C | 27.8° | 35.8° |
| OD1 | CG | CB | HB2C | 149.2° | 159.1° |
| CG | CB | CA | HB1C | 119.3° | 118.5° |
| CG | CB | CA | HB2C | 119.4° | 118.3° |
| CG | CB | CA | C | 141.5° | 141.3° |
| CB | CG | CD2 | HD21 | 129.6° | 155.9° |
| CB | CG | CD2 | HD22 | 109.6° | 81.9° |
| CG | CB | CA | HA | 96.7° | 97.5° |
| CB | CG | OD1 | HD1 | 66.1° | 173.7° |
| CG | CB | HB1C | HB2C | 121.9° | 123.2° |
| CB | CA | C | HA | 121.7° | 121.0° |
| CB | CA | C | O | 80.0° | 99.3° |
| CB | CA | C | NAR | 98.5° | 80.7° |
| CA | CB | CG | HG | 143.0° | 153.4° |
| CA | CB | HB1C | HB2C | 121.9° | 123.1° |
| CA | C | O | NAR | 178.3° | 179.9° |
| CA | C | NAR | CAL | 179.1° | 180.0° |
| C | CA | CB | HB1C | 99.2° | 100.2° |
| C | CA | CB | HB2C | 22.1° | 23.0° |
| CA | C | NAR | HAR | 0.9° | 0.0° |
| O | C | NAR | CAL | 0.7° | 0.0° |
| O | C | CA | HA | 158.3° | 139.7° |
| O | C | NAR | HAR | 179.3° | 179.9° |
| C | NAR | CAL | HAR | 180.0° | 180.0° |
| C | NAR | CAL | CAX | 93.3° | 180.0° |
| NAR | C | CA | HA | 23.2° | 40.4° |
| C | NAR | CAL | HAL1 | 26.7° | 60.0° |
| C | NAR | CAL | HAL2 | 146.7° | 60.0° |
| NAR | CAL | CAX | HAL1 | 120.0° | 120.0° |
| NAR | CAL | CAX | HAL2 | 120.0° | 120.0° |
| NAR | CAL | CAX | CAE | 9.4° | 90.0° |
| NAR | CAL | CAX | CAF | 170.0° | 90.2° |
| NAR | CAL | HAL1 | HAL2 | 120.0° | 120.0° |
| CAL | CAX | CAE | CAF | 179.4° | 179.8° |
| CAL | CAX | CAE | CAG | 179.7° | 180.0° |
| CAL | CAX | CAF | CAH | 179.7° | 180.0° |
| CAX | CAL | NAR | HAR | 86.7° | 0.0° |
| CAX | CAL | HAL1 | HAL2 | 119.9° | 120.0° |
| CAL | CAX | CAE | HAE | 0.3° | 0.0° |
| CAL | CAX | CAF | HAF | 0.3° | 0.1° |
| CAX | CAE | CAG | HAE | 180.0° | 180.0° |
| CAX | CAE | CAG | CAY | 0.1° | 0.0° |
| CAE | CAX | CAF | CAH | 0.2° | 0.2° |
| CAE | CAX | CAL | HAL1 | 129.4° | 30.0° |
| CAE | CAX | CAL | HAL2 | 110.6° | 150.0° |
| CAE | CAX | CAF | HAF | 179.7° | 179.7° |
| CAX | CAE | CAG | HAG | 179.9° | 180.0° |
| CAF | CAX | CAE | CAG | 0.3° | 0.2° |
| CAX | CAF | CAH | HAF | 180.0° | 179.9° |
| CAX | CAF | CAH | CAY | 0.3° | 0.1° |
| CAF | CAX | CAL | HAL1 | 50.0° | 149.8° |
| CAF | CAX | CAL | HAL2 | 70.0° | 29.8° |
| CAF | CAX | CAE | HAE | 179.7° | 179.8° |
| CAX | CAF | CAH | HAH | 179.7° | 179.9° |
| CAE | CAG | CAY | HAG | 180.0° | 180.0° |
| CAE | CAG | CAY | CAH | 0.6° | 0.3° |
| CAE | CAG | CAY | NBB | 180.0° | 180.0° |
| CAG | CAY | CAH | CAF | 0.7° | 0.3° |
| CAG | CAY | CAH | NBB | 179.4° | 179.7° |
| CAG | CAY | NBB | OAD | 22.8° | 180.0° |
| CAG | CAY | NBB | OAS | 158.6° | 0.0° |
| CAY | CAG | CAE | HAE | 179.9° | 180.0° |
| CAG | CAY | CAH | HAH | 179.3° | 179.7° |
| CAF | CAH | CAY | HAH | 180.0° | 180.0° |
| CAF | CAH | CAY | NBB | 179.8° | 180.0° |
| CAH | CAY | NBB | OAD | 156.7° | 0.3° |
| CAH | CAY | NBB | OAS | 22.0° | 179.7° |
| CAY | CAH | CAF | HAF | 179.7° | 180.0° |
| CAH | CAY | CAG | HAG | 179.4° | 179.7° |
| CAY | NBB | OAD | OAS | 178.6° | 180.0° |
| NBB | CAY | CAG | HAG | 0.0° | 0.0° |
| NBB | CAY | CAH | HAH | 0.2° | 0.0° |
| CAY | NBB | OAS | HAS | 180.0° | 180.0° |
| CAY | NBB | OAD | HAD | 180.0° | 180.0° |
| OAD | NBB | OAS | HAS | 1.3° | 0.0° |
| OAS | NBB | OAD | HAD | 1.4° | 0.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HD21 | CD2 | CG | HG | 108.8° | 86.0° |
| HD22 | CD2 | CG | HG | 12.1° | 36.3° |
| HA | CA | CB | HB1C | 22.6° | 20.9° |
| HA | CA | CB | HB2C | 143.9° | 144.2° |
| HG | CG | OD1 | HD1 | 58.2° | 62.4° |
| HG | CG | CB | HB1C | 97.6° | 88.0° |
| HG | CG | CB | HB2C | 23.7° | 35.3° |
| HAR | NAR | CAL | HAL1 | 153.3° | 120.0° |
| HAR | NAR | CAL | HAL2 | 33.3° | 120.1° |
| HAE | CAE | CAG | HAG | 0.1° | 0.0° |
| HAF | CAF | CAH | HAH | 0.3° | 0.0° |
