YIR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OBC | NAA | sing | 1.22Å | 1.41Å | |
| NAA | OBB | doub | 1.22Å | 1.41Å | |
| NAA | CAM | sing | 1.48Å | 1.33Å | |
| CAH | CAM | doub | 1.38Å | 1.52Å | Aromatic |
| CAH | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | CAJ | doub | 1.36Å | 1.39Å | Aromatic |
| CAL | NAB | sing | 1.38Å | 1.34Å | Aromatic |
| CAL | CAK | doub | 1.41Å | 1.40Å | Aromatic |
| CAJ | CAK | sing | 1.40Å | 1.39Å | Aromatic |
| NAB | CAO | sing | 1.38Å | 1.34Å | Aromatic |
| CAK | CAN | sing | 1.42Å | 1.51Å | Aromatic |
| CAO | CAN | doub | 1.36Å | 1.50Å | Aromatic |
| CAO | CAP | sing | 1.47Å | 1.52Å | |
| OBD | CAP | doub | 1.22Å | 1.35Å | |
| CAP | NAC | sing | 1.35Å | 1.34Å | |
| NAC | CAQ | sing | 1.40Å | 1.34Å | |
| CAQ | CAR | sing | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAV | doub | 1.39Å | 1.40Å | Aromatic |
| CAR | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CAV | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | CAW | sing | 1.50Å | 1.54Å | |
| CAS | CAT | sing | 1.40Å | 1.39Å | Aromatic |
| CAW | CAX | sing | 1.53Å | 1.53Å | |
| CAU | CAT | doub | 1.40Å | 1.41Å | Aromatic |
| CAX | CAY | sing | 1.53Å | 1.52Å | |
| CAT | CAZ | sing | 1.48Å | 1.40Å | |
| CAZ | CAY | sing | 1.51Å | 1.54Å | |
| CAZ | NAD | doub | 1.30Å | 1.33Å | |
| NAD | NAE | sing | 1.40Å | 1.24Å | |
| NAE | CBA | sing | 1.38Å | 1.33Å | |
| NAG | CBA | doub | 1.30Å | 1.32Å | |
| CBA | NAF | sing | 1.38Å | 1.33Å | |
| NAB | HNAB | sing | 0.97Å | 1.00Å | |
| NAC | HNAC | sing | 0.97Å | 1.00Å | |
| NAF | H1AF | sing | 0.97Å | 1.00Å | |
| NAF | H2AF | sing | 0.97Å | 1.00Å | |
| NAG | HAG | sing | 0.97Å | 1.00Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| CAW | H1AW | sing | 1.09Å | 1.10Å | |
| CAW | H2AW | sing | 1.09Å | 1.10Å | |
| CAX | H1AX | sing | 1.09Å | 1.10Å | |
| CAX | H2AX | sing | 1.09Å | 1.10Å | |
| CAY | H1AY | sing | 1.09Å | 1.10Å | |
| CAY | H2AY | sing | 1.09Å | 1.10Å | |
| NAE | HAE | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OBC | NAA | OBB | 117.4° | 120.0° |
| OBC | NAA | CAM | 119.6° | 120.1° |
| OBB | NAA | CAM | 123.1° | 119.9° |
| NAA | CAM | CAH | 115.9° | 120.1° |
| NAA | CAM | CAL | 120.5° | 120.1° |
| CAM | CAH | CAI | 112.8° | 120.7° |
| CAH | CAM | CAL | 123.6° | 119.8° |
| CAM | CAH | HAH | 123.6° | 119.7° |
| CAH | CAI | CAJ | 123.3° | 120.6° |
| CAI | CAH | HAH | 123.6° | 119.7° |
| CAH | CAI | HAI | 118.3° | 119.7° |
| CAM | CAL | NAB | 130.9° | 133.2° |
| CAM | CAL | CAK | 117.6° | 119.4° |
| CAI | CAJ | CAK | 121.8° | 119.8° |
| CAJ | CAI | HAI | 118.4° | 119.7° |
| CAI | CAJ | HAJ | 119.1° | 120.1° |
| NAB | CAL | CAK | 111.5° | 107.4° |
| CAL | NAB | CAO | 109.0° | 108.8° |
| CAL | NAB | HNAB | 125.5° | 125.6° |
| CAL | CAK | CAJ | 120.8° | 119.7° |
| CAL | CAK | CAN | 108.0° | 107.0° |
| CAJ | CAK | CAN | 131.1° | 133.3° |
| CAK | CAJ | HAJ | 119.1° | 120.1° |
| NAB | CAO | CAN | 112.5° | 109.2° |
| NAB | CAO | CAP | 123.5° | 125.5° |
| CAO | NAB | HNAB | 125.5° | 125.7° |
| CAK | CAN | CAO | 98.9° | 107.7° |
| CAK | CAN | HAN | 130.6° | 126.2° |
| CAN | CAO | CAP | 124.0° | 125.4° |
| CAO | CAN | HAN | 130.5° | 126.2° |
| CAO | CAP | OBD | 118.2° | 120.0° |
| CAO | CAP | NAC | 116.1° | 119.9° |
| OBD | CAP | NAC | 125.6° | 120.1° |
| CAP | NAC | CAQ | 126.9° | 120.0° |
| CAP | NAC | HNAC | 116.6° | 120.0° |
| NAC | CAQ | CAR | 123.3° | 119.9° |
| NAC | CAQ | CAV | 116.9° | 119.8° |
| CAQ | NAC | HNAC | 116.6° | 120.0° |
| CAR | CAQ | CAV | 119.6° | 120.3° |
| CAQ | CAR | CAS | 120.3° | 120.3° |
| CAQ | CAR | HAR | 119.8° | 119.8° |
| CAQ | CAV | CAU | 120.0° | 119.8° |
| CAQ | CAV | HAV | 120.0° | 120.0° |
| CAR | CAS | CAW | 118.8° | 119.0° |
| CAR | CAS | CAT | 119.8° | 119.3° |
| CAS | CAR | HAR | 119.9° | 119.9° |
| CAV | CAU | CAT | 120.5° | 119.9° |
| CAV | CAU | HAU | 119.8° | 120.0° |
| CAU | CAV | HAV | 120.0° | 120.1° |
| CAW | CAS | CAT | 121.4° | 121.6° |
| CAS | CAW | CAX | 112.0° | 111.3° |
| CAS | CAW | H1AW | 108.6° | 109.1° |
| CAS | CAW | H2AW | 108.7° | 109.1° |
| CAS | CAT | CAU | 119.8° | 120.3° |
| CAS | CAT | CAZ | 117.2° | 120.1° |
| CAW | CAX | CAY | 112.8° | 109.4° |
| CAX | CAW | H1AW | 108.6° | 109.2° |
| CAX | CAW | H2AW | 108.6° | 109.1° |
| CAW | CAX | H1AX | 108.4° | 109.5° |
| CAW | CAX | H2AX | 108.4° | 109.5° |
| CAU | CAT | CAZ | 123.0° | 119.6° |
| CAT | CAU | HAU | 119.8° | 120.1° |
| CAX | CAY | CAZ | 113.1° | 107.3° |
| CAY | CAX | H1AX | 108.4° | 109.5° |
| CAY | CAX | H2AX | 108.4° | 109.5° |
| CAX | CAY | H1AY | 108.3° | 109.9° |
| CAX | CAY | H2AY | 108.3° | 109.8° |
| CAT | CAZ | CAY | 124.7° | 117.6° |
| CAT | CAZ | NAD | 117.8° | 121.2° |
| CAY | CAZ | NAD | 117.3° | 121.2° |
| CAZ | CAY | H1AY | 108.3° | 109.9° |
| CAZ | CAY | H2AY | 108.3° | 109.9° |
| CAZ | NAD | NAE | 124.3° | 120.0° |
| NAD | NAE | CBA | 118.5° | 120.0° |
| NAD | NAE | HAE | 120.7° | 120.0° |
| NAE | CBA | NAG | 119.9° | 120.0° |
| NAE | CBA | NAF | 121.8° | 120.0° |
| CBA | NAE | HAE | 120.7° | 120.0° |
| NAG | CBA | NAF | 118.4° | 120.0° |
| CBA | NAG | HAG | 112.0° | 120.0° |
| CBA | NAF | H1AF | 120.0° | 120.0° |
| CBA | NAF | H2AF | 120.0° | 120.0° |
| H1AF | NAF | H2AF | 120.0° | 120.0° |
| H1AW | CAW | H2AW | 110.3° | 109.0° |
| H1AX | CAX | H2AX | 110.6° | 109.5° |
| H1AY | CAY | H2AY | 110.7° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OBC | NAA | OBB | CAM | 178.2° | 179.8° |
| OBC | NAA | CAM | CAH | 0.1° | 179.7° |
| OBC | NAA | CAM | CAL | 179.0° | 0.2° |
| OBB | NAA | CAM | CAH | 178.1° | 0.0° |
| OBB | NAA | CAM | CAL | 0.8° | 180.0° |
| NAA | CAM | CAH | CAL | 178.9° | 180.0° |
| NAA | CAM | CAH | CAI | 179.5° | 180.0° |
| NAA | CAM | CAL | NAB | 0.8° | 0.0° |
| NAA | CAM | CAL | CAK | 179.5° | 180.0° |
| NAA | CAM | CAH | HAH | 0.5° | 0.0° |
| CAM | CAH | CAI | HAH | 180.0° | 180.0° |
| CAM | CAH | CAI | CAJ | 0.9° | 0.0° |
| CAH | CAM | CAL | NAB | 178.0° | 180.0° |
| CAH | CAM | CAL | CAK | 0.7° | 0.1° |
| CAM | CAH | CAI | HAI | 179.1° | 180.0° |
| CAI | CAH | CAM | CAL | 1.6° | 0.0° |
| CAH | CAI | CAJ | HAI | 180.0° | 179.9° |
| CAH | CAI | CAJ | CAK | 0.6° | 0.0° |
| CAH | CAI | CAJ | HAJ | 179.4° | 180.0° |
| CAM | CAL | NAB | CAK | 178.7° | 180.0° |
| CAM | CAL | CAK | CAJ | 1.0° | 0.0° |
| CAM | CAL | NAB | CAO | 179.9° | 180.0° |
| CAM | CAL | CAK | CAN | 178.9° | 179.8° |
| CAM | CAL | NAB | HNAB | 0.1° | 0.3° |
| CAL | CAM | CAH | HAH | 178.4° | 179.9° |
| CAI | CAJ | CAK | CAL | 1.7° | 0.0° |
| CAI | CAJ | CAK | HAJ | 180.0° | 180.0° |
| CAI | CAJ | CAK | CAN | 178.1° | 179.7° |
| CAJ | CAI | CAH | HAH | 179.1° | 179.9° |
| NAB | CAL | CAK | CAJ | 179.9° | 180.0° |
| CAL | NAB | CAO | HNAB | 180.0° | 179.7° |
| NAB | CAL | CAK | CAN | 0.0° | 0.3° |
| CAL | NAB | CAO | CAN | 2.2° | 0.3° |
| CAL | NAB | CAO | CAP | 176.8° | 179.8° |
| CAL | CAK | CAJ | CAN | 179.8° | 179.6° |
| CAK | CAL | NAB | CAO | 1.3° | 0.0° |
| CAL | CAK | CAN | CAO | 1.2° | 0.4° |
| CAK | CAL | NAB | HNAB | 178.6° | 179.7° |
| CAL | CAK | CAJ | HAJ | 178.3° | 180.0° |
| CAL | CAK | CAN | HAN | 178.8° | 179.7° |
| CAJ | CAK | CAN | CAO | 179.0° | 179.9° |
| CAK | CAJ | CAI | HAI | 179.4° | 179.9° |
| CAJ | CAK | CAN | HAN | 1.0° | 0.0° |
| NAB | CAO | CAN | CAK | 2.1° | 0.4° |
| NAB | CAO | CAN | CAP | 179.1° | 180.0° |
| NAB | CAO | CAP | OBD | 0.2° | 180.0° |
| NAB | CAO | CAP | NAC | 176.2° | 0.0° |
| NAB | CAO | CAN | HAN | 177.9° | 179.7° |
| CAK | CAN | CAO | HAN | 180.0° | 179.9° |
| CAK | CAN | CAO | CAP | 177.0° | 179.6° |
| CAN | CAK | CAJ | HAJ | 1.9° | 0.3° |
| CAN | CAO | CAP | OBD | 179.2° | 0.0° |
| CAN | CAO | CAP | NAC | 4.9° | 180.0° |
| CAN | CAO | NAB | HNAB | 177.7° | 180.0° |
| CAO | CAP | OBD | NAC | 175.5° | 180.0° |
| CAO | CAP | NAC | CAQ | 175.3° | 175.4° |
| CAP | CAO | NAB | HNAB | 3.2° | 0.1° |
| CAO | CAP | NAC | HNAC | 4.7° | 4.6° |
| CAP | CAO | CAN | HAN | 3.0° | 0.3° |
| OBD | CAP | NAC | CAQ | 9.1° | 4.6° |
| OBD | CAP | NAC | HNAC | 170.9° | 175.4° |
| CAP | NAC | CAQ | HNAC | 180.0° | 179.9° |
| CAP | NAC | CAQ | CAR | 1.4° | 144.9° |
| CAP | NAC | CAQ | CAV | 175.0° | 35.5° |
| NAC | CAQ | CAR | CAV | 176.3° | 179.7° |
| NAC | CAQ | CAR | CAS | 177.7° | 179.9° |
| NAC | CAQ | CAV | CAU | 177.7° | 179.9° |
| NAC | CAQ | CAR | HAR | 2.3° | 0.2° |
| NAC | CAQ | CAV | HAV | 2.3° | 0.2° |
| CAQ | CAR | CAS | HAR | 180.0° | 179.9° |
| CAR | CAQ | CAV | CAU | 1.1° | 0.4° |
| CAQ | CAR | CAS | CAW | 179.4° | 179.7° |
| CAQ | CAR | CAS | CAT | 0.5° | 0.1° |
| CAR | CAQ | NAC | HNAC | 178.6° | 35.0° |
| CAR | CAQ | CAV | HAV | 178.8° | 179.8° |
| CAV | CAQ | CAR | CAS | 1.4° | 0.3° |
| CAQ | CAV | CAU | HAV | 180.0° | 179.7° |
| CAQ | CAV | CAU | CAT | 0.1° | 0.5° |
| CAV | CAQ | NAC | HNAC | 5.0° | 144.6° |
| CAV | CAQ | CAR | HAR | 178.6° | 179.8° |
| CAQ | CAV | CAU | HAU | 179.9° | 179.7° |
| CAR | CAS | CAW | CAT | 179.8° | 179.9° |
| CAR | CAS | CAW | CAX | 146.2° | 157.5° |
| CAR | CAS | CAT | CAU | 0.8° | 0.2° |
| CAR | CAS | CAT | CAZ | 179.3° | 179.6° |
| CAR | CAS | CAW | H1AW | 26.2° | 82.0° |
| CAR | CAS | CAW | H2AW | 93.8° | 37.0° |
| CAV | CAU | CAT | CAS | 1.1° | 0.4° |
| CAV | CAU | CAT | HAU | 180.0° | 179.8° |
| CAV | CAU | CAT | CAZ | 179.5° | 179.4° |
| CAS | CAW | CAX | H1AW | 120.0° | 120.5° |
| CAS | CAW | CAX | H2AW | 120.0° | 120.5° |
| CAW | CAS | CAT | CAU | 179.4° | 179.6° |
| CAS | CAW | CAX | CAY | 49.2° | 54.7° |
| CAW | CAS | CAT | CAZ | 0.9° | 0.5° |
| CAW | CAS | CAR | HAR | 0.6° | 0.2° |
| CAS | CAW | H1AW | H2AW | 119.0° | 119.1° |
| CAS | CAW | CAX | H1AX | 70.8° | 174.7° |
| CAS | CAW | CAX | H2AX | 169.1° | 65.3° |
| CAT | CAS | CAW | CAX | 33.6° | 22.7° |
| CAS | CAT | CAU | CAZ | 178.5° | 179.8° |
| CAS | CAT | CAZ | CAY | 20.0° | 11.4° |
| CAS | CAT | CAZ | NAD | 155.0° | 168.6° |
| CAT | CAS | CAR | HAR | 179.5° | 179.9° |
| CAS | CAT | CAU | HAU | 178.9° | 179.8° |
| CAT | CAS | CAW | H1AW | 153.6° | 97.8° |
| CAT | CAS | CAW | H2AW | 86.4° | 143.1° |
| CAW | CAX | CAY | H1AX | 120.0° | 120.0° |
| CAW | CAX | CAY | H2AX | 120.0° | 120.0° |
| CAW | CAX | CAY | CAZ | 32.6° | 64.1° |
| CAX | CAW | H1AW | H2AW | 118.9° | 119.1° |
| CAW | CAX | H1AX | H2AX | 118.7° | 120.1° |
| CAW | CAX | CAY | H1AY | 152.6° | 55.4° |
| CAW | CAX | CAY | H2AY | 87.4° | 176.4° |
| CAU | CAT | CAZ | CAY | 161.5° | 168.7° |
| CAU | CAT | CAZ | NAD | 23.5° | 11.2° |
| CAT | CAU | CAV | HAV | 179.9° | 179.8° |
| CAX | CAY | CAZ | CAT | 2.2° | 42.5° |
| CAX | CAY | CAZ | H1AY | 120.0° | 119.5° |
| CAX | CAY | CAZ | H2AY | 120.0° | 119.4° |
| CAX | CAY | CAZ | NAD | 172.8° | 137.5° |
| CAY | CAX | CAW | H1AW | 169.1° | 65.8° |
| CAY | CAX | CAW | H2AW | 70.9° | 175.2° |
| CAY | CAX | H1AX | H2AX | 118.6° | 120.0° |
| CAX | CAY | H1AY | H2AY | 118.5° | 121.0° |
| CAT | CAZ | CAY | NAD | 175.0° | 180.0° |
| CAT | CAZ | NAD | NAE | 178.9° | 179.9° |
| CAZ | CAT | CAU | HAU | 0.5° | 0.3° |
| CAT | CAZ | CAY | H1AY | 117.7° | 77.0° |
| CAT | CAZ | CAY | H2AY | 122.2° | 162.0° |
| CAY | CAZ | NAD | NAE | 3.5° | 0.0° |
| CAZ | CAY | CAX | H1AX | 87.4° | 176.0° |
| CAZ | CAY | CAX | H2AX | 152.6° | 55.9° |
| CAZ | CAY | H1AY | H2AY | 118.5° | 121.1° |
| CAZ | NAD | NAE | CBA | 178.3° | 180.0° |
| NAD | CAZ | CAY | H1AY | 67.2° | 103.0° |
| NAD | CAZ | CAY | H2AY | 52.8° | 18.1° |
| CAZ | NAD | NAE | HAE | 1.8° | 0.1° |
| NAD | NAE | CBA | HAE | 180.0° | 179.9° |
| NAD | NAE | CBA | NAG | 1.4° | 0.1° |
| NAD | NAE | CBA | NAF | 179.4° | 180.0° |
| NAE | CBA | NAG | NAF | 179.2° | 179.9° |
| NAE | CBA | NAF | H1AF | 179.1° | 0.0° |
| NAE | CBA | NAF | H2AF | 0.9° | 179.9° |
| NAE | CBA | NAG | HAG | 179.2° | 180.0° |
| NAG | CBA | NAF | H1AF | 0.0° | 179.9° |
| NAG | CBA | NAF | H2AF | 180.0° | 0.0° |
| NAG | CBA | NAE | HAE | 178.5° | 180.0° |
| CBA | NAF | H1AF | H2AF | 180.0° | 180.0° |
| NAF | CBA | NAG | HAG | 0.0° | 0.0° |
| NAF | CBA | NAE | HAE | 0.6° | 0.1° |
| HAH | CAH | CAI | HAI | 0.9° | 0.0° |
| HAI | CAI | CAJ | HAJ | 0.6° | 0.0° |
| HAU | CAU | CAV | HAV | 0.1° | 0.0° |
| H1AW | CAW | CAX | H1AX | 49.1° | 54.2° |
| H1AW | CAW | CAX | H2AX | 70.9° | 174.2° |
| H2AW | CAW | CAX | H1AX | 169.1° | 64.9° |
| H2AW | CAW | CAX | H2AX | 49.1° | 55.1° |
| H1AX | CAX | CAY | H1AY | 32.6° | 64.5° |
| H1AX | CAX | CAY | H2AY | 152.6° | 56.5° |
| H2AX | CAX | CAY | H1AY | 87.4° | 175.4° |
| H2AX | CAX | CAY | H2AY | 32.6° | 63.5° |
