A1IPD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAM | CAL | doub | 1.22Å | 1.23Å | |
| CAO | CAL | sing | 1.41Å | 1.38Å | |
| CAO | CAN | doub | 1.36Å | 1.38Å | |
| CAL | NAK | sing | 1.35Å | 1.36Å | |
| CAN | CAI | sing | 1.41Å | 1.39Å | |
| NAK | CAQ | sing | 1.47Å | 1.48Å | |
| NAK | CAJ | sing | 1.36Å | 1.44Å | |
| CAS | CAT | doub | 1.38Å | 1.38Å | Aromatic |
| CAS | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAR | sing | 1.51Å | 1.44Å | |
| CAI | CAJ | doub | 1.36Å | 1.42Å | |
| CAI | NAH | sing | 1.40Å | 1.38Å | |
| CAT | CAU | sing | 1.38Å | 1.38Å | Aromatic |
| CAR | CAY | doub | 1.38Å | 1.41Å | Aromatic |
| NAH | C | sing | 1.35Å | 1.37Å | |
| CAU | CLAX | sing | 1.74Å | 1.71Å | |
| CAU | CAV | doub | 1.38Å | 1.38Å | Aromatic |
| C | O | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.41Å | |
| CAY | CAV | sing | 1.38Å | 1.38Å | Aromatic |
| CB | CA | sing | 1.54Å | 1.49Å | |
| CB | CAF | sing | 1.55Å | 1.50Å | |
| CAV | CLAW | sing | 1.74Å | 1.78Å | |
| CA | N | sing | 1.47Å | 1.51Å | |
| CAF | CAB | sing | 1.51Å | 1.41Å | |
| N | CAB | sing | 1.34Å | 1.35Å | |
| CAB | OAA | doub | 1.21Å | 1.23Å | |
| CB | H1 | sing | 1.09Å | 1.10Å | |
| CB | H2 | sing | 1.09Å | 1.10Å | |
| CAF | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.09Å | 1.10Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| CA | H6 | sing | 1.09Å | 1.10Å | |
| NAH | H7 | sing | 0.97Å | 1.00Å | |
| CAN | H10 | sing | 1.08Å | 1.08Å | |
| CAQ | H13 | sing | 1.09Å | 1.10Å | |
| CAQ | H14 | sing | 1.09Å | 1.10Å | |
| CAY | H15 | sing | 1.08Å | 1.08Å | |
| CAT | H16 | sing | 1.08Å | 1.08Å | |
| CAS | H17 | sing | 1.08Å | 1.08Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAO | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAM | CAL | CAO | 118.7° | 119.9° |
| OAM | CAL | NAK | 121.4° | 120.0° |
| CAL | CAO | CAN | 122.7° | 119.4° |
| CAO | CAL | NAK | 119.9° | 120.1° |
| CAL | CAO | H9 | 118.6° | 120.3° |
| CAO | CAN | CAI | 120.4° | 119.3° |
| CAO | CAN | H10 | 119.8° | 120.4° |
| CAN | CAO | H9 | 118.6° | 120.3° |
| CAL | NAK | CAQ | 119.4° | 119.6° |
| CAL | NAK | CAJ | 118.4° | 120.8° |
| CAN | CAI | CAJ | 117.0° | 119.8° |
| CAN | CAI | NAH | 115.6° | 120.1° |
| CAI | CAN | H10 | 119.8° | 120.4° |
| CAQ | NAK | CAJ | 122.2° | 119.6° |
| NAK | CAQ | CAR | 104.4° | 109.5° |
| NAK | CAQ | H13 | 110.7° | 109.5° |
| NAK | CAQ | H14 | 110.7° | 109.4° |
| NAK | CAJ | CAI | 121.5° | 120.6° |
| NAK | CAJ | H8 | 119.2° | 119.7° |
| CAT | CAS | CAR | 124.6° | 120.0° |
| CAS | CAT | CAU | 117.2° | 120.0° |
| CAS | CAT | H16 | 121.4° | 120.0° |
| CAT | CAS | H17 | 117.7° | 120.0° |
| CAS | CAR | CAQ | 123.5° | 120.0° |
| CAS | CAR | CAY | 116.4° | 120.0° |
| CAR | CAS | H17 | 117.7° | 120.0° |
| CAQ | CAR | CAY | 120.1° | 120.0° |
| CAR | CAQ | H13 | 110.7° | 109.5° |
| CAR | CAQ | H14 | 110.7° | 109.5° |
| CAJ | CAI | NAH | 127.2° | 120.1° |
| CAI | CAJ | H8 | 119.3° | 119.7° |
| CAI | NAH | C | 126.1° | 120.0° |
| CAI | NAH | H7 | 117.0° | 120.0° |
| CAT | CAU | CLAX | 120.4° | 120.0° |
| CAT | CAU | CAV | 120.5° | 119.9° |
| CAU | CAT | H16 | 121.4° | 120.0° |
| CAR | CAY | CAV | 119.7° | 120.0° |
| CAR | CAY | H15 | 120.2° | 120.0° |
| NAH | C | O | 124.7° | 120.0° |
| NAH | C | CA | 114.7° | 120.0° |
| C | NAH | H7 | 117.0° | 120.0° |
| CLAX | CAU | CAV | 119.1° | 120.0° |
| CAU | CAV | CAY | 121.7° | 120.0° |
| CAU | CAV | CLAW | 118.5° | 120.0° |
| O | C | CA | 120.3° | 120.0° |
| C | CA | CB | 111.3° | 110.3° |
| C | CA | N | 114.8° | 110.2° |
| C | CA | H6 | 111.5° | 110.3° |
| CAY | CAV | CLAW | 119.8° | 120.0° |
| CAV | CAY | H15 | 120.1° | 120.0° |
| CA | CB | CAF | 105.1° | 101.8° |
| CB | CA | N | 98.1° | 105.5° |
| CA | CB | H1 | 110.5° | 111.0° |
| CA | CB | H2 | 110.5° | 110.9° |
| CB | CA | H6 | 110.3° | 110.2° |
| CB | CAF | CAB | 97.4° | 104.2° |
| CAF | CB | H1 | 110.6° | 111.0° |
| CAF | CB | H2 | 110.6° | 110.9° |
| CB | CAF | H3 | 112.4° | 110.5° |
| CB | CAF | H4 | 112.4° | 110.5° |
| CA | N | CAB | 106.8° | 111.3° |
| CA | N | H5 | 126.6° | 124.4° |
| N | CA | H6 | 110.1° | 110.2° |
| CAF | CAB | N | 114.6° | 110.1° |
| CAF | CAB | OAA | 122.4° | 124.9° |
| CAB | CAF | H3 | 112.4° | 110.4° |
| CAB | CAF | H4 | 112.4° | 110.5° |
| N | CAB | OAA | 123.0° | 125.0° |
| CAB | N | H5 | 126.6° | 124.3° |
| H1 | CB | H2 | 109.5° | 110.9° |
| H3 | CAF | H4 | 109.5° | 110.6° |
| H13 | CAQ | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAM | CAL | CAO | NAK | 179.3° | 179.7° |
| OAM | CAL | CAO | CAN | 179.7° | 180.0° |
| OAM | CAL | NAK | CAQ | 3.6° | 0.3° |
| OAM | CAL | NAK | CAJ | 179.2° | 179.7° |
| OAM | CAL | CAO | H9 | 0.3° | 0.3° |
| CAL | CAO | CAN | H9 | 180.0° | 179.7° |
| CAL | CAO | CAN | CAI | 1.6° | 0.0° |
| CAO | CAL | NAK | CAQ | 177.1° | 180.0° |
| CAO | CAL | NAK | CAJ | 0.0° | 0.6° |
| CAL | CAO | CAN | H10 | 178.4° | 180.0° |
| CAN | CAO | CAL | NAK | 0.4° | 0.3° |
| CAO | CAN | CAI | H10 | 180.0° | 180.0° |
| CAO | CAN | CAI | CAJ | 2.2° | 0.0° |
| CAO | CAN | CAI | NAH | 177.5° | 179.7° |
| CAL | NAK | CAQ | CAJ | 177.0° | 179.4° |
| CAL | NAK | CAQ | CAR | 79.9° | 90.0° |
| CAL | NAK | CAJ | CAI | 0.7° | 0.6° |
| CAL | NAK | CAQ | H13 | 39.3° | 150.0° |
| CAL | NAK | CAQ | H14 | 160.9° | 30.0° |
| CAL | NAK | CAJ | H8 | 179.2° | 179.4° |
| NAK | CAL | CAO | H9 | 179.6° | 180.0° |
| CAN | CAI | CAJ | NAK | 1.8° | 0.3° |
| CAN | CAI | CAJ | NAH | 174.7° | 179.7° |
| CAN | CAI | NAH | C | 157.4° | 57.3° |
| CAN | CAI | NAH | H7 | 22.6° | 122.8° |
| CAN | CAI | CAJ | H8 | 178.2° | 179.7° |
| CAI | CAN | CAO | H9 | 178.4° | 179.7° |
| NAK | CAQ | CAR | CAS | 90.3° | 90.2° |
| NAK | CAQ | CAR | H13 | 119.2° | 120.0° |
| NAK | CAQ | CAR | H14 | 119.2° | 119.9° |
| CAQ | NAK | CAJ | CAI | 177.8° | 180.0° |
| NAK | CAQ | CAR | CAY | 87.8° | 90.0° |
| NAK | CAQ | H13 | H14 | 122.4° | 120.0° |
| CAQ | NAK | CAJ | H8 | 2.2° | 0.0° |
| CAJ | NAK | CAQ | CAR | 97.1° | 90.6° |
| NAK | CAJ | CAI | H8 | 180.0° | 180.0° |
| NAK | CAJ | CAI | NAH | 176.5° | 180.0° |
| CAJ | NAK | CAQ | H13 | 143.7° | 29.4° |
| CAJ | NAK | CAQ | H14 | 22.1° | 149.4° |
| CAT | CAS | CAR | H17 | 180.0° | 179.5° |
| CAT | CAS | CAR | CAQ | 178.6° | 179.7° |
| CAS | CAT | CAU | H16 | 180.0° | 179.7° |
| CAT | CAS | CAR | CAY | 0.5° | 0.5° |
| CAS | CAT | CAU | CLAX | 179.0° | 179.7° |
| CAS | CAT | CAU | CAV | 0.7° | 0.3° |
| CAS | CAR | CAQ | CAY | 178.0° | 179.8° |
| CAR | CAS | CAT | CAU | 0.1° | 0.5° |
| CAS | CAR | CAY | CAV | 0.4° | 0.2° |
| CAS | CAR | CAQ | H13 | 28.9° | 149.8° |
| CAS | CAR | CAQ | H14 | 150.5° | 29.7° |
| CAS | CAR | CAY | H15 | 179.6° | 179.8° |
| CAR | CAS | CAT | H16 | 179.9° | 179.7° |
| CAQ | CAR | CAY | CAV | 178.6° | 180.0° |
| CAR | CAQ | H13 | H14 | 122.3° | 120.0° |
| CAQ | CAR | CAY | H15 | 1.4° | 0.0° |
| CAQ | CAR | CAS | H17 | 1.4° | 0.3° |
| CAJ | CAI | NAH | C | 27.8° | 123.1° |
| CAJ | CAI | NAH | H7 | 152.1° | 56.9° |
| CAJ | CAI | CAN | H10 | 177.8° | 180.0° |
| CAI | NAH | C | H7 | 180.0° | 180.0° |
| CAI | NAH | C | O | 8.4° | 5.0° |
| CAI | NAH | C | CA | 176.9° | 175.0° |
| NAH | CAI | CAN | H10 | 2.4° | 0.3° |
| NAH | CAI | CAJ | H8 | 3.5° | 0.0° |
| CAT | CAU | CLAX | CAV | 178.3° | 180.0° |
| CAT | CAU | CAV | CAY | 0.8° | 0.0° |
| CAT | CAU | CAV | CLAW | 179.0° | 180.0° |
| CAU | CAT | CAS | H17 | 179.9° | 180.0° |
| CAR | CAY | CAV | CAU | 0.2° | 0.0° |
| CAR | CAY | CAV | H15 | 180.0° | 180.0° |
| CAR | CAY | CAV | CLAW | 178.4° | 180.0° |
| CAY | CAR | CAQ | H13 | 153.0° | 30.0° |
| CAY | CAR | CAQ | H14 | 31.4° | 150.1° |
| CAY | CAR | CAS | H17 | 179.5° | 180.0° |
| NAH | C | O | CA | 174.4° | 180.0° |
| NAH | C | CA | CB | 116.4° | 80.0° |
| NAH | C | CA | N | 133.4° | 163.9° |
| NAH | C | CA | H6 | 7.3° | 42.0° |
| CLAX | CAU | CAV | CAY | 179.1° | 180.0° |
| CLAX | CAU | CAV | CLAW | 2.7° | 0.0° |
| CLAX | CAU | CAT | H16 | 1.0° | 0.0° |
| CAU | CAV | CAY | CLAW | 178.2° | 180.0° |
| CAU | CAV | CAY | H15 | 179.8° | 180.0° |
| CAV | CAU | CAT | H16 | 179.2° | 180.0° |
| O | C | CA | CB | 58.6° | 100.0° |
| O | C | CA | N | 51.6° | 16.1° |
| O | C | CA | H6 | 177.8° | 138.0° |
| O | C | NAH | H7 | 171.6° | 175.0° |
| C | CA | CB | N | 120.7° | 119.0° |
| C | CA | CB | H6 | 124.3° | 122.0° |
| C | CA | CB | CAF | 80.6° | 93.5° |
| C | CA | N | H6 | 126.8° | 122.0° |
| C | CA | N | CAB | 93.4° | 102.0° |
| C | CA | CB | H1 | 38.7° | 148.3° |
| C | CA | CB | H2 | 160.1° | 24.5° |
| C | CA | N | H5 | 86.6° | 78.0° |
| CA | C | NAH | H7 | 3.1° | 5.1° |
| CA | CB | CAF | H1 | 119.3° | 118.2° |
| CA | CB | CAF | H2 | 119.3° | 118.1° |
| CB | CA | N | H6 | 115.2° | 119.0° |
| CA | CB | CAF | CAB | 40.2° | 24.8° |
| CB | CA | N | CAB | 24.6° | 17.0° |
| CA | CB | H1 | H2 | 122.0° | 123.8° |
| CA | CB | CAF | H3 | 77.8° | 93.8° |
| CA | CB | CAF | H4 | 158.2° | 143.5° |
| CB | CA | N | H5 | 155.4° | 162.9° |
| CAF | CB | CA | N | 40.1° | 25.5° |
| CB | CAF | CAB | H3 | 118.0° | 118.7° |
| CB | CAF | CAB | H4 | 118.0° | 118.7° |
| CB | CAF | CAB | N | 25.0° | 16.2° |
| CB | CAF | CAB | OAA | 154.1° | 163.7° |
| CAF | CB | H1 | H2 | 122.1° | 123.8° |
| CB | CAF | H3 | H4 | 125.6° | 122.7° |
| CAF | CB | CA | H6 | 155.1° | 144.4° |
| CLAW | CAV | CAY | H15 | 1.6° | 0.0° |
| CA | N | CAB | CAF | 0.6° | 0.4° |
| CA | N | CAB | H5 | 180.0° | 180.0° |
| CA | N | CAB | OAA | 178.6° | 179.6° |
| N | CA | CB | H1 | 159.4° | 92.7° |
| N | CA | CB | H2 | 79.3° | 143.5° |
| CAF | CAB | N | OAA | 179.1° | 179.9° |
| CAB | CAF | CB | H1 | 159.5° | 93.4° |
| CAB | CAF | CB | H2 | 79.1° | 142.9° |
| CAB | CAF | H3 | H4 | 125.7° | 122.6° |
| CAF | CAB | N | H5 | 179.5° | 179.5° |
| N | CAB | CAF | H3 | 92.9° | 102.5° |
| N | CAB | CAF | H4 | 143.0° | 134.9° |
| CAB | N | CA | H6 | 139.7° | 136.0° |
| OAA | CAB | CAF | H3 | 87.9° | 77.6° |
| OAA | CAB | CAF | H4 | 36.2° | 45.0° |
| OAA | CAB | N | H5 | 1.4° | 0.4° |
| H1 | CB | CAF | H3 | 41.5° | 148.0° |
| H1 | CB | CAF | H4 | 82.5° | 25.3° |
| H1 | CB | CA | H6 | 85.6° | 26.3° |
| H2 | CB | CAF | H3 | 162.9° | 24.3° |
| H2 | CB | CAF | H4 | 38.9° | 98.5° |
| H2 | CB | CA | H6 | 35.8° | 97.5° |
| H5 | N | CA | H6 | 40.2° | 43.9° |
| H10 | CAN | CAO | H9 | 1.6° | 0.3° |
| H16 | CAT | CAS | H17 | 0.1° | 0.2° |
