MII
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| C | NAX | sing | 1.36Å | 1.33Å | |
| N | CA | sing | 1.46Å | 1.47Å | |
| N | CAQ | sing | 1.35Å | 1.33Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CB | SAO | sing | 1.83Å | 1.83Å | |
| CB | NAX | sing | 1.47Å | 1.48Å | |
| CAA | OAM | sing | 1.43Å | 1.43Å | |
| CAB | OAN | sing | 1.43Å | 1.43Å | |
| CAC | CAY | sing | 1.53Å | 1.53Å | |
| CAD | CAY | sing | 1.53Å | 1.53Å | |
| OAE | CAP | doub | 1.21Å | 1.25Å | |
| OAF | CAQ | doub | 1.22Å | 1.23Å | |
| OAH | CAP | sing | 1.34Å | 1.25Å | |
| CAI | CAJ | doub | 1.38Å | 1.38Å | Aromatic |
| CAI | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAS | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| OAM | CAS | sing | 1.36Å | 1.36Å | |
| OAN | CAT | sing | 1.36Å | 1.36Å | |
| SAO | CAY | sing | 1.84Å | 1.83Å | |
| CAP | CAW | sing | 1.51Å | 1.53Å | |
| CAQ | CAU | sing | 1.47Å | 1.53Å | |
| CAS | CAU | doub | 1.40Å | 1.38Å | Aromatic |
| CAT | CAU | sing | 1.40Å | 1.40Å | Aromatic |
| CAW | NAX | sing | 1.47Å | 1.48Å | |
| CAW | CAY | sing | 1.55Å | 1.54Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAD | HADB | sing | 1.09Å | 1.10Å | |
| OAH | HOAH | sing | 0.97Å | 0.95Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 133.2° | 135.5° |
| O | C | NAX | 134.0° | 135.5° |
| CA | C | NAX | 92.1° | 89.0° |
| C | CA | N | 106.9° | 113.3° |
| C | CA | CB | 82.1° | 88.6° |
| C | CA | HA | 129.6° | 113.4° |
| C | NAX | CB | 90.8° | 96.8° |
| C | NAX | CAW | 161.7° | 116.7° |
| CA | N | CAQ | 119.5° | 120.0° |
| N | CA | CB | 117.6° | 113.4° |
| CA | N | HN | 120.2° | 120.0° |
| N | CA | HA | 100.7° | 112.7° |
| N | CAQ | OAF | 122.5° | 120.0° |
| N | CAQ | CAU | 116.6° | 120.0° |
| CAQ | N | HN | 120.2° | 120.0° |
| CA | CB | SAO | 118.8° | 114.5° |
| CA | CB | NAX | 86.9° | 84.4° |
| CB | CA | HA | 120.5° | 113.4° |
| CA | CB | HB | 116.0° | 116.0° |
| SAO | CB | NAX | 102.7° | 105.0° |
| CB | SAO | CAY | 94.3° | 94.7° |
| SAO | CB | HB | 103.2° | 115.0° |
| CB | NAX | CAW | 106.1° | 114.9° |
| NAX | CB | HB | 129.7° | 117.9° |
| CAA | OAM | CAS | 110.4° | 117.0° |
| OAM | CAA | HAA | 109.5° | 109.5° |
| OAM | CAA | HAAA | 109.5° | 109.5° |
| OAM | CAA | HAAB | 109.5° | 109.5° |
| CAB | OAN | CAT | 110.5° | 116.9° |
| OAN | CAB | HAB | 109.5° | 109.5° |
| OAN | CAB | HABA | 109.5° | 109.5° |
| OAN | CAB | HABB | 109.5° | 109.4° |
| CAC | CAY | CAD | 111.1° | 111.2° |
| CAC | CAY | SAO | 110.1° | 111.3° |
| CAC | CAY | CAW | 111.5° | 110.9° |
| CAY | CAC | HAC | 109.5° | 109.5° |
| CAY | CAC | HACA | 109.5° | 109.5° |
| CAY | CAC | HACB | 109.4° | 109.5° |
| CAD | CAY | SAO | 109.8° | 111.3° |
| CAD | CAY | CAW | 111.4° | 111.9° |
| CAY | CAD | HAD | 109.5° | 109.4° |
| CAY | CAD | HADA | 109.5° | 109.4° |
| CAY | CAD | HADB | 109.5° | 109.5° |
| OAE | CAP | OAH | 125.2° | 120.0° |
| OAE | CAP | CAW | 116.8° | 120.0° |
| OAF | CAQ | CAU | 120.9° | 120.0° |
| OAH | CAP | CAW | 118.0° | 120.1° |
| CAP | OAH | HOAH | 109.5° | 117.0° |
| CAJ | CAI | CAK | 119.3° | 120.5° |
| CAI | CAJ | CAS | 120.8° | 120.2° |
| CAJ | CAI | HAI | 120.3° | 119.7° |
| CAI | CAJ | HAJ | 119.6° | 119.9° |
| CAI | CAK | CAT | 120.1° | 120.2° |
| CAK | CAI | HAI | 120.3° | 119.8° |
| CAI | CAK | HAK | 120.0° | 119.9° |
| CAJ | CAS | OAM | 119.9° | 120.1° |
| CAJ | CAS | CAU | 120.0° | 119.8° |
| CAS | CAJ | HAJ | 119.6° | 119.9° |
| CAK | CAT | OAN | 119.2° | 120.1° |
| CAK | CAT | CAU | 120.5° | 119.8° |
| CAT | CAK | HAK | 119.9° | 119.9° |
| OAM | CAS | CAU | 120.1° | 120.1° |
| OAN | CAT | CAU | 120.2° | 120.1° |
| SAO | CAY | CAW | 102.6° | 99.7° |
| CAP | CAW | NAX | 111.4° | 109.4° |
| CAP | CAW | CAY | 109.9° | 108.9° |
| CAP | CAW | HAW | 106.3° | 109.3° |
| CAQ | CAU | CAS | 121.1° | 120.3° |
| CAQ | CAU | CAT | 119.6° | 120.2° |
| CAS | CAU | CAT | 119.3° | 119.5° |
| NAX | CAW | CAY | 104.0° | 110.2° |
| NAX | CAW | HAW | 111.9° | 109.3° |
| CAY | CAW | HAW | 113.4° | 109.8° |
| HAA | CAA | HAAA | 109.4° | 109.4° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAB | CAB | HABA | 109.5° | 109.5° |
| HAB | CAB | HABB | 109.4° | 109.4° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| HAC | CAC | HACA | 109.5° | 109.4° |
| HAC | CAC | HACB | 109.5° | 109.4° |
| HACA | CAC | HACB | 109.5° | 109.5° |
| HAD | CAD | HADA | 109.4° | 109.5° |
| HAD | CAD | HADB | 109.4° | 109.5° |
| HADA | CAD | HADB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | NAX | 170.8° | 179.8° |
| O | C | CA | N | 75.9° | 73.3° |
| O | C | CA | CB | 167.6° | 171.8° |
| O | C | NAX | CB | 167.3° | 171.4° |
| O | C | NAX | CAW | 9.7° | 66.4° |
| O | C | CA | HA | 44.3° | 56.8° |
| C | CA | N | CB | 89.8° | 99.1° |
| C | CA | N | HA | 137.3° | 130.5° |
| C | CA | N | CAQ | 75.2° | 104.6° |
| C | CA | CB | HA | 131.7° | 115.0° |
| C | CA | CB | SAO | 122.2° | 111.8° |
| CA | C | NAX | CB | 22.0° | 8.8° |
| CA | C | NAX | CAW | 179.6° | 113.4° |
| C | CA | N | HN | 104.9° | 75.5° |
| C | CA | CB | HB | 113.9° | 110.5° |
| NAX | C | CA | N | 94.9° | 106.4° |
| C | NAX | CB | SAO | 141.0° | 122.7° |
| C | NAX | CB | CAW | 172.8° | 123.6° |
| C | NAX | CAW | CAP | 98.0° | 101.6° |
| C | NAX | CAW | CAY | 143.7° | 138.7° |
| NAX | C | CA | HA | 144.8° | 123.4° |
| C | NAX | CB | HB | 99.6° | 107.8° |
| C | NAX | CAW | HAW | 20.9° | 18.0° |
| CA | N | CAQ | HN | 180.0° | 179.9° |
| N | CA | CB | HA | 123.4° | 130.1° |
| N | CA | CB | SAO | 17.2° | 3.1° |
| N | CA | CB | NAX | 85.6° | 107.1° |
| CA | N | CAQ | OAF | 3.6° | 0.1° |
| CA | N | CAQ | CAU | 178.9° | 180.0° |
| N | CA | CB | HB | 141.1° | 134.6° |
| CAQ | N | CA | CB | 164.9° | 156.4° |
| N | CAQ | OAF | CAU | 177.4° | 179.9° |
| N | CAQ | CAU | CAS | 22.7° | 90.0° |
| N | CAQ | CAU | CAT | 155.2° | 90.0° |
| CAQ | N | CA | HA | 62.2° | 25.9° |
| CA | CB | SAO | NAX | 93.5° | 90.6° |
| CA | CB | SAO | HB | 130.0° | 138.2° |
| CA | CB | NAX | HB | 121.7° | 116.5° |
| CA | CB | SAO | CAY | 110.8° | 112.5° |
| CA | CB | NAX | CAW | 165.0° | 114.8° |
| CB | CA | N | HN | 15.1° | 23.5° |
| SAO | CB | NAX | HB | 119.5° | 129.5° |
| CB | SAO | CAY | CAC | 104.6° | 151.5° |
| CB | SAO | CAY | CAD | 132.7° | 83.8° |
| SAO | CB | NAX | CAW | 46.2° | 0.9° |
| CB | SAO | CAY | CAW | 14.2° | 34.4° |
| SAO | CB | CA | HA | 106.2° | 133.3° |
| NAX | CB | SAO | CAY | 17.3° | 21.9° |
| CB | NAX | CAW | CAP | 58.7° | 146.2° |
| CB | NAX | CAW | CAY | 59.7° | 26.5° |
| NAX | CB | CA | HA | 151.0° | 122.8° |
| CB | NAX | CAW | HAW | 177.5° | 94.2° |
| CAA | OAM | CAS | CAJ | 27.2° | 0.0° |
| CAA | OAM | CAS | CAU | 151.4° | 180.0° |
| OAM | CAA | HAA | HAAA | 120.0° | 120.0° |
| OAM | CAA | HAA | HAAB | 120.0° | 120.0° |
| OAM | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAB | OAN | CAT | CAK | 88.3° | 0.0° |
| CAB | OAN | CAT | CAU | 93.5° | 180.0° |
| OAN | CAB | HAB | HABA | 120.0° | 120.0° |
| OAN | CAB | HAB | HABB | 120.0° | 119.9° |
| OAN | CAB | HABA | HABB | 120.0° | 120.0° |
| CAC | CAY | CAD | SAO | 122.1° | 124.7° |
| CAC | CAY | CAD | CAW | 124.9° | 124.6° |
| CAC | CAY | SAO | CAW | 118.8° | 117.2° |
| CAC | CAY | CAW | CAP | 165.2° | 83.5° |
| CAC | CAY | CAW | NAX | 75.4° | 156.5° |
| CAY | CAC | HAC | HACA | 120.0° | 120.0° |
| CAY | CAC | HAC | HACB | 120.0° | 120.1° |
| CAY | CAC | HACA | HACB | 120.0° | 120.1° |
| CAC | CAY | CAD | HAD | 180.0° | 60.6° |
| CAC | CAY | CAD | HADA | 60.0° | 179.3° |
| CAC | CAY | CAD | HADB | 60.0° | 59.3° |
| CAC | CAY | CAW | HAW | 46.4° | 36.1° |
| CAD | CAY | SAO | CAW | 118.5° | 118.2° |
| CAD | CAY | CAW | CAP | 40.4° | 41.2° |
| CAD | CAY | CAW | NAX | 159.8° | 78.7° |
| CAD | CAY | CAC | HAC | 180.0° | 59.3° |
| CAD | CAY | CAC | HACA | 60.0° | 179.3° |
| CAD | CAY | CAC | HACB | 60.0° | 60.7° |
| CAY | CAD | HAD | HADA | 120.0° | 120.0° |
| CAY | CAD | HAD | HADB | 120.0° | 120.0° |
| CAY | CAD | HADA | HADB | 120.0° | 120.0° |
| CAD | CAY | CAW | HAW | 78.4° | 160.8° |
| OAE | CAP | OAH | CAW | 178.1° | 180.0° |
| OAE | CAP | CAW | NAX | 161.3° | 18.6° |
| OAE | CAP | CAW | CAY | 84.0° | 101.9° |
| OAE | CAP | OAH | HOAH | 0.0° | 0.0° |
| OAE | CAP | CAW | HAW | 39.1° | 138.2° |
| OAF | CAQ | CAU | CAS | 154.8° | 90.0° |
| OAF | CAQ | CAU | CAT | 27.3° | 90.0° |
| OAF | CAQ | N | HN | 176.5° | 180.0° |
| OAH | CAP | CAW | NAX | 20.4° | 161.5° |
| OAH | CAP | CAW | CAY | 94.3° | 78.1° |
| OAH | CAP | CAW | HAW | 142.6° | 41.9° |
| CAJ | CAI | CAK | HAI | 180.0° | 179.7° |
| CAI | CAJ | CAS | HAJ | 180.0° | 180.0° |
| CAJ | CAI | CAK | CAT | 0.1° | 0.0° |
| CAI | CAJ | CAS | OAM | 178.4° | 180.0° |
| CAI | CAJ | CAS | CAU | 0.2° | 0.0° |
| CAJ | CAI | CAK | HAK | 179.9° | 180.0° |
| CAK | CAI | CAJ | CAS | 0.1° | 0.0° |
| CAI | CAK | CAT | HAK | 180.0° | 180.0° |
| CAI | CAK | CAT | OAN | 177.9° | 180.0° |
| CAI | CAK | CAT | CAU | 0.3° | 0.0° |
| CAK | CAI | CAJ | HAJ | 179.9° | 180.0° |
| CAJ | CAS | OAM | CAU | 178.6° | 180.0° |
| CAJ | CAS | CAU | CAQ | 177.8° | 180.0° |
| CAJ | CAS | CAU | CAT | 0.1° | 0.0° |
| CAS | CAJ | CAI | HAI | 179.9° | 179.7° |
| CAK | CAT | OAN | CAU | 178.2° | 180.0° |
| CAK | CAT | CAU | CAQ | 178.1° | 180.0° |
| CAK | CAT | CAU | CAS | 0.1° | 0.0° |
| CAT | CAK | CAI | HAI | 179.8° | 179.7° |
| OAM | CAS | CAU | CAQ | 3.5° | 0.0° |
| OAM | CAS | CAU | CAT | 178.5° | 180.0° |
| CAS | OAM | CAA | HAA | 180.0° | 180.0° |
| CAS | OAM | CAA | HAAA | 60.0° | 60.0° |
| CAS | OAM | CAA | HAAB | 60.0° | 60.0° |
| OAM | CAS | CAJ | HAJ | 1.6° | 0.0° |
| OAN | CAT | CAU | CAQ | 0.1° | 0.0° |
| OAN | CAT | CAU | CAS | 178.0° | 180.0° |
| CAT | OAN | CAB | HAB | 180.0° | 60.1° |
| CAT | OAN | CAB | HABA | 60.0° | 60.0° |
| CAT | OAN | CAB | HABB | 60.0° | 179.9° |
| OAN | CAT | CAK | HAK | 2.0° | 0.0° |
| SAO | CAY | CAW | CAP | 77.0° | 159.0° |
| SAO | CAY | CAW | NAX | 42.4° | 39.1° |
| CAY | SAO | CB | HB | 119.3° | 109.3° |
| SAO | CAY | CAC | HAC | 58.1° | 65.4° |
| SAO | CAY | CAC | HACA | 178.1° | 54.5° |
| SAO | CAY | CAC | HACB | 61.9° | 174.6° |
| SAO | CAY | CAD | HAD | 57.9° | 174.6° |
| SAO | CAY | CAD | HADA | 62.1° | 54.6° |
| SAO | CAY | CAD | HADB | 177.9° | 65.4° |
| SAO | CAY | CAW | HAW | 164.2° | 81.4° |
| CAP | CAW | NAX | CAY | 118.3° | 119.7° |
| CAP | CAW | NAX | HAW | 118.9° | 119.6° |
| CAP | CAW | CAY | HAW | 118.8° | 119.6° |
| CAW | CAP | OAH | HOAH | 178.1° | 180.0° |
| CAQ | CAU | CAS | CAT | 177.9° | 180.0° |
| CAU | CAQ | N | HN | 1.0° | 0.1° |
| CAU | CAS | CAJ | HAJ | 179.8° | 180.0° |
| CAU | CAT | CAK | HAK | 179.8° | 180.0° |
| NAX | CAW | CAY | HAW | 121.8° | 120.4° |
| CAW | NAX | CB | HB | 73.3° | 128.6° |
| CAW | CAY | CAC | HAC | 55.1° | 175.5° |
| CAW | CAY | CAC | HACA | 64.9° | 55.6° |
| CAW | CAY | CAC | HACB | 175.1° | 64.4° |
| CAW | CAY | CAD | HAD | 55.1° | 64.0° |
| CAW | CAY | CAD | HADA | 175.0° | 56.0° |
| CAW | CAY | CAD | HADB | 64.9° | 176.1° |
| HN | N | CA | HA | 117.8° | 154.0° |
| HA | CA | CB | HB | 17.8° | 4.4° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAC | CAC | HACA | HACB | 120.0° | 119.9° |
| HAD | CAD | HADA | HADB | 120.0° | 120.0° |
| HAI | CAI | CAJ | HAJ | 0.1° | 0.3° |
| HAI | CAI | CAK | HAK | 0.1° | 0.3° |
