A1IY4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | NAA | sing | 1.35Å | 1.32Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| N | CAN | sing | 1.35Å | 1.33Å | |
| CAN | OAC | doub | 1.21Å | 1.20Å | |
| N | CAJ | sing | 1.47Å | 1.46Å | |
| CAJ | CAO | sing | 1.53Å | 1.52Å | |
| CAO | NAK | sing | 1.47Å | 1.46Å | |
| NAK | OAL | sing | 1.46Å | 1.42Å | |
| CAO | CAH | sing | 1.53Å | 1.52Å | |
| CAH | CB | sing | 1.53Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CAN | H1 | sing | 1.08Å | 1.08Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CB | H8 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| NAK | H12 | sing | 1.01Å | 1.00Å | |
| CAH | H9 | sing | 1.09Å | 1.10Å | |
| CAH | H10 | sing | 1.09Å | 1.10Å | |
| CAJ | H3 | sing | 1.09Å | 1.10Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAO | H11 | sing | 1.09Å | 1.10Å | |
| NAA | H6 | sing | 0.97Å | 1.00Å | |
| NAA | H5 | sing | 0.97Å | 1.00Å | |
| OAL | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | NAA | 122.7° | 119.9° |
| O | C | CA | 119.8° | 120.0° |
| NAA | C | CA | 117.5° | 120.0° |
| C | NAA | H6 | 120.0° | 120.0° |
| C | NAA | H5 | 120.0° | 120.0° |
| C | CA | N | 110.4° | 109.6° |
| C | CA | CB | 114.3° | 109.6° |
| C | CA | H4 | 107.6° | 109.6° |
| CA | N | CAN | 122.4° | 120.6° |
| CA | N | CAJ | 116.3° | 118.8° |
| N | CA | CB | 108.4° | 108.8° |
| N | CA | H4 | 108.4° | 109.6° |
| N | CAN | OAC | 126.0° | 120.0° |
| CAN | N | CAJ | 120.9° | 120.6° |
| N | CAN | H1 | 117.0° | 120.0° |
| OAC | CAN | H1 | 117.0° | 120.0° |
| N | CAJ | CAO | 109.5° | 108.8° |
| N | CAJ | H3 | 109.4° | 109.6° |
| N | CAJ | H2 | 109.5° | 109.7° |
| CAJ | CAO | NAK | 109.5° | 109.5° |
| CAJ | CAO | CAH | 109.6° | 109.3° |
| CAO | CAJ | H3 | 109.5° | 109.5° |
| CAO | CAJ | H2 | 109.5° | 109.6° |
| CAJ | CAO | H11 | 108.7° | 109.4° |
| CAO | NAK | OAL | 123.4° | 111.0° |
| NAK | CAO | CAH | 111.0° | 109.5° |
| CAO | NAK | H12 | 105.9° | 111.0° |
| NAK | CAO | H11 | 109.4° | 109.5° |
| OAL | NAK | H12 | 105.9° | 111.0° |
| NAK | OAL | H13 | 109.5° | 114.0° |
| CAO | CAH | CB | 111.7° | 109.5° |
| CAO | CAH | H9 | 108.9° | 109.4° |
| CAO | CAH | H10 | 108.9° | 109.4° |
| CAH | CAO | H11 | 108.6° | 109.5° |
| CAH | CB | CA | 111.5° | 109.4° |
| CAH | CB | H8 | 108.9° | 109.5° |
| CAH | CB | H7 | 109.0° | 109.5° |
| CB | CAH | H9 | 108.9° | 109.5° |
| CB | CAH | H10 | 108.9° | 109.5° |
| CB | CA | H4 | 107.6° | 109.7° |
| CA | CB | H8 | 109.0° | 109.5° |
| CA | CB | H7 | 108.9° | 109.5° |
| H8 | CB | H7 | 109.5° | 109.4° |
| H9 | CAH | H10 | 109.4° | 109.5° |
| H3 | CAJ | H2 | 109.5° | 109.6° |
| H6 | NAA | H5 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | NAA | CA | 178.4° | 179.9° |
| O | C | CA | N | 22.3° | 45.0° |
| O | C | CA | CB | 144.8° | 74.3° |
| O | C | CA | H4 | 95.8° | 165.3° |
| O | C | NAA | H6 | 0.0° | 180.0° |
| O | C | NAA | H5 | 180.0° | 0.0° |
| NAA | C | CA | N | 159.3° | 135.0° |
| NAA | C | CA | CB | 36.8° | 105.6° |
| NAA | C | CA | H4 | 82.6° | 14.8° |
| C | NAA | H6 | H5 | 179.9° | 180.0° |
| C | CA | N | CB | 125.9° | 119.8° |
| C | CA | N | H4 | 117.6° | 120.3° |
| C | CA | N | CAN | 118.4° | 6.5° |
| C | CA | N | CAJ | 69.2° | 173.4° |
| C | CA | CB | CAH | 71.5° | 174.4° |
| C | CA | CB | H4 | 119.4° | 120.3° |
| C | CA | CB | H8 | 168.2° | 54.5° |
| C | CA | CB | H7 | 48.8° | 65.5° |
| CA | C | NAA | H6 | 178.3° | 0.1° |
| CA | C | NAA | H5 | 1.6° | 179.9° |
| CA | N | CAN | CAJ | 172.2° | 179.9° |
| CA | N | CAN | OAC | 16.3° | 174.6° |
| CA | N | CAJ | CAO | 59.4° | 53.6° |
| N | CA | CB | CAH | 52.1° | 54.6° |
| N | CA | CB | H4 | 117.0° | 119.8° |
| CA | N | CAN | H1 | 163.7° | 5.7° |
| N | CA | CB | H8 | 68.2° | 65.4° |
| N | CA | CB | H7 | 172.4° | 174.6° |
| CA | N | CAJ | H3 | 179.4° | 173.3° |
| CA | N | CAJ | H2 | 60.6° | 66.3° |
| N | CAN | OAC | H1 | 180.0° | 179.7° |
| CAN | N | CAJ | CAO | 113.2° | 126.4° |
| CAN | N | CA | CB | 115.7° | 126.4° |
| CAN | N | CA | H4 | 0.7° | 113.7° |
| CAN | N | CAJ | H3 | 6.8° | 6.6° |
| CAN | N | CAJ | H2 | 126.8° | 113.8° |
| OAC | CAN | N | CAJ | 155.9° | 5.3° |
| N | CAJ | CAO | H3 | 120.0° | 119.8° |
| N | CAJ | CAO | H2 | 120.0° | 119.9° |
| N | CAJ | CAO | NAK | 66.3° | 174.6° |
| N | CAJ | CAO | CAH | 55.7° | 54.6° |
| CAJ | N | CA | CB | 56.8° | 53.6° |
| CAJ | N | CAN | H1 | 24.2° | 174.4° |
| CAJ | N | CA | H4 | 173.2° | 66.4° |
| N | CAJ | H3 | H2 | 120.0° | 120.4° |
| N | CAJ | CAO | H11 | 174.2° | 65.4° |
| CAJ | CAO | NAK | CAH | 121.2° | 119.9° |
| CAJ | CAO | NAK | H11 | 119.0° | 120.0° |
| CAJ | CAO | NAK | OAL | 162.6° | 90.0° |
| CAJ | CAO | CAH | H11 | 118.6° | 119.9° |
| CAJ | CAO | CAH | CB | 55.3° | 61.3° |
| CAJ | CAO | NAK | H12 | 40.7° | 146.0° |
| CAJ | CAO | CAH | H9 | 175.7° | 178.6° |
| CAJ | CAO | CAH | H10 | 65.0° | 58.7° |
| CAO | CAJ | H3 | H2 | 120.0° | 120.3° |
| CAO | NAK | OAL | H12 | 121.9° | 124.0° |
| NAK | CAO | CAH | H11 | 120.3° | 120.1° |
| NAK | CAO | CAH | CB | 65.8° | 178.7° |
| NAK | CAO | CAH | H9 | 54.6° | 58.7° |
| NAK | CAO | CAH | H10 | 173.9° | 61.3° |
| NAK | CAO | CAJ | H3 | 53.7° | 65.6° |
| NAK | CAO | CAJ | H2 | 173.7° | 54.7° |
| CAO | NAK | OAL | H13 | 180.0° | 180.0° |
| OAL | NAK | CAO | CAH | 41.5° | 150.2° |
| OAL | NAK | CAO | H11 | 78.3° | 30.0° |
| CAO | CAH | CB | H9 | 120.4° | 120.0° |
| CAO | CAH | CB | H10 | 120.4° | 120.0° |
| CAO | CAH | CB | CA | 54.3° | 61.3° |
| CAO | CAH | CB | H8 | 66.0° | 58.6° |
| CAO | CAH | CB | H7 | 174.6° | 178.6° |
| CAH | CAO | NAK | H12 | 80.4° | 26.2° |
| CAO | CAH | H9 | H10 | 119.0° | 119.9° |
| CAH | CAO | CAJ | H3 | 175.7° | 174.4° |
| CAH | CAO | CAJ | H2 | 64.3° | 65.3° |
| CAH | CB | CA | H8 | 120.3° | 120.0° |
| CAH | CB | CA | H7 | 120.3° | 120.0° |
| CAH | CB | CA | H4 | 169.1° | 65.2° |
| CAH | CB | H8 | H7 | 119.1° | 120.1° |
| CB | CAH | H9 | H10 | 118.9° | 120.0° |
| CB | CAH | CAO | H11 | 173.9° | 58.6° |
| CA | CB | H8 | H7 | 119.0° | 120.0° |
| CA | CB | CAH | H9 | 174.7° | 178.6° |
| CA | CB | CAH | H10 | 66.1° | 58.6° |
| H4 | CA | CB | H8 | 48.8° | 174.8° |
| H4 | CA | CB | H7 | 70.6° | 54.8° |
| H8 | CB | CAH | H9 | 54.4° | 61.4° |
| H8 | CB | CAH | H10 | 173.6° | 178.6° |
| H7 | CB | CAH | H9 | 65.0° | 58.6° |
| H7 | CB | CAH | H10 | 54.2° | 61.4° |
| H12 | NAK | CAO | H11 | 159.8° | 93.9° |
| H12 | NAK | OAL | H13 | 58.1° | 56.0° |
| H9 | CAH | CAO | H11 | 65.7° | 61.5° |
| H10 | CAH | CAO | H11 | 53.6° | 178.6° |
| H3 | CAJ | CAO | H11 | 65.8° | 54.4° |
| H2 | CAJ | CAO | H11 | 54.2° | 174.7° |
