621
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CAC | sing | 1.51Å | 1.53Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| N | CAJ | sing | 1.35Å | 1.33Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| CA | N | sing | 1.46Å | 1.47Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CG | CD2 | sing | 1.53Å | 1.53Å | |
| CG | CD1 | sing | 1.53Å | 1.53Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | OXT | sing | 1.43Å | 1.43Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAJ | OAL | doub | 1.21Å | 1.23Å | |
| CAJ | CAK | sing | 1.51Å | 1.53Å | |
| CAK | CAN | sing | 1.53Å | 1.53Å | |
| CAK | NAM | sing | 1.47Å | 1.47Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| NAM | CAP | sing | 1.35Å | 1.33Å | |
| NAM | HNAM | sing | 0.97Å | 1.00Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| OAO | CAN | sing | 1.43Å | 1.43Å | |
| OAO | HOAO | sing | 0.97Å | 0.95Å | |
| CAP | CAQ | sing | 1.51Å | 1.53Å | |
| CAQ | NAS | sing | 1.47Å | 1.47Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| OAR | CAP | doub | 1.21Å | 1.23Å | |
| NAS | CAT | sing | 1.35Å | 1.33Å | |
| NAS | HNAS | sing | 0.97Å | 1.00Å | |
| CAT | CAU | sing | 1.51Å | 1.53Å | |
| CAT | OAV | doub | 1.21Å | 1.23Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| CAU | HAUA | sing | 1.09Å | 1.10Å | |
| CAU | HAUB | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1A | sing | 1.09Å | 1.10Å | |
| CD1 | HD1B | sing | 1.09Å | 1.10Å | |
| CD2 | HD2 | sing | 1.09Å | 1.10Å | |
| CD2 | HD2A | sing | 1.09Å | 1.10Å | |
| CD2 | HD2B | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | C | CA | 119.2° | 120.0° |
| CAC | C | O | 120.4° | 120.1° |
| C | CAC | HAC | 109.5° | 109.5° |
| C | CAC | OXT | 109.5° | 109.4° |
| C | CAC | HACA | 109.5° | 109.5° |
| CA | C | O | 120.4° | 120.0° |
| C | CA | N | 109.5° | 109.5° |
| C | CA | HA | 109.5° | 109.5° |
| C | CA | CB | 109.5° | 109.4° |
| CAJ | N | HN | 119.0° | 120.0° |
| CAJ | N | CA | 122.0° | 120.0° |
| N | CAJ | OAL | 124.0° | 120.0° |
| N | CAJ | CAK | 115.0° | 119.9° |
| HN | N | CA | 119.0° | 120.0° |
| N | CA | HA | 109.4° | 109.5° |
| N | CA | CB | 109.5° | 109.5° |
| HA | CA | CB | 109.5° | 109.4° |
| CA | CB | HB | 109.5° | 109.5° |
| CA | CB | HBA | 109.4° | 109.5° |
| CA | CB | CG | 109.5° | 109.4° |
| HB | CB | HBA | 109.5° | 109.5° |
| HB | CB | CG | 109.5° | 109.4° |
| HBA | CB | CG | 109.5° | 109.5° |
| CB | CG | CD2 | 111.0° | 109.5° |
| CB | CG | CD1 | 111.0° | 109.4° |
| CB | CG | HG | 107.9° | 109.5° |
| CD2 | CG | CD1 | 111.0° | 109.5° |
| CD2 | CG | HG | 107.9° | 109.5° |
| CG | CD2 | HD2 | 109.5° | 109.5° |
| CG | CD2 | HD2A | 109.5° | 109.5° |
| CG | CD2 | HD2B | 109.5° | 109.5° |
| CD1 | CG | HG | 107.9° | 109.4° |
| CG | CD1 | HD1 | 109.5° | 109.5° |
| CG | CD1 | HD1A | 109.4° | 109.5° |
| CG | CD1 | HD1B | 109.4° | 109.5° |
| HAC | CAC | OXT | 109.5° | 109.5° |
| HAC | CAC | HACA | 109.5° | 109.5° |
| OXT | CAC | HACA | 109.5° | 109.5° |
| CAC | OXT | HXT | 109.5° | 113.9° |
| OAL | CAJ | CAK | 121.0° | 120.0° |
| CAJ | CAK | CAN | 109.5° | 109.5° |
| CAJ | CAK | NAM | 109.5° | 109.4° |
| CAJ | CAK | HAK | 109.4° | 109.5° |
| CAN | CAK | NAM | 109.5° | 109.5° |
| CAN | CAK | HAK | 109.4° | 109.5° |
| CAK | CAN | HAN | 109.5° | 109.4° |
| CAK | CAN | HANA | 109.5° | 109.5° |
| CAK | CAN | OAO | 109.5° | 109.5° |
| NAM | CAK | HAK | 109.5° | 109.4° |
| CAK | NAM | CAP | 122.0° | 120.0° |
| CAK | NAM | HNAM | 119.0° | 120.0° |
| CAP | NAM | HNAM | 119.0° | 120.0° |
| NAM | CAP | CAQ | 115.0° | 120.0° |
| NAM | CAP | OAR | 124.0° | 120.0° |
| HAN | CAN | HANA | 109.5° | 109.4° |
| HAN | CAN | OAO | 109.5° | 109.5° |
| HANA | CAN | OAO | 109.4° | 109.5° |
| CAN | OAO | HOAO | 109.5° | 114.0° |
| CAP | CAQ | NAS | 109.5° | 109.4° |
| CAP | CAQ | HAQ | 109.5° | 109.5° |
| CAP | CAQ | HAQA | 109.5° | 109.5° |
| CAQ | CAP | OAR | 121.0° | 120.1° |
| NAS | CAQ | HAQ | 109.5° | 109.5° |
| NAS | CAQ | HAQA | 109.5° | 109.5° |
| CAQ | NAS | CAT | 122.0° | 120.0° |
| CAQ | NAS | HNAS | 119.0° | 120.0° |
| HAQ | CAQ | HAQA | 109.5° | 109.5° |
| CAT | NAS | HNAS | 119.0° | 120.0° |
| NAS | CAT | CAU | 115.0° | 120.0° |
| NAS | CAT | OAV | 124.0° | 120.0° |
| CAU | CAT | OAV | 121.0° | 120.0° |
| CAT | CAU | HAU | 109.5° | 109.5° |
| CAT | CAU | HAUA | 109.4° | 109.4° |
| CAT | CAU | HAUB | 109.5° | 109.5° |
| HAU | CAU | HAUA | 109.5° | 109.4° |
| HAU | CAU | HAUB | 109.5° | 109.5° |
| HAUA | CAU | HAUB | 109.5° | 109.4° |
| HD1 | CD1 | HD1A | 109.5° | 109.4° |
| HD1 | CD1 | HD1B | 109.5° | 109.4° |
| HD1A | CD1 | HD1B | 109.5° | 109.4° |
| HD2 | CD2 | HD2A | 109.5° | 109.4° |
| HD2 | CD2 | HD2B | 109.5° | 109.5° |
| HD2A | CD2 | HD2B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | C | CA | O | 179.9° | 179.7° |
| CAC | C | CA | N | 12.1° | 165.0° |
| CAC | C | CA | HA | 132.1° | 45.0° |
| CAC | C | CA | CB | 107.9° | 75.0° |
| C | CAC | HAC | OXT | 120.0° | 120.0° |
| C | CAC | HAC | HACA | 120.0° | 120.0° |
| C | CAC | OXT | HACA | 120.0° | 120.0° |
| C | CAC | OXT | HXT | 180.0° | 180.0° |
| C | CA | N | CAJ | 92.7° | 155.0° |
| C | CA | N | HN | 87.3° | 25.0° |
| C | CA | N | HA | 120.0° | 120.0° |
| C | CA | N | CB | 120.0° | 120.0° |
| C | CA | HA | CB | 120.0° | 119.9° |
| C | CA | CB | HB | 119.0° | 65.0° |
| C | CA | CB | HBA | 0.9° | 55.0° |
| C | CA | CB | CG | 121.0° | 175.0° |
| CA | C | CAC | HAC | 16.8° | 60.0° |
| CA | C | CAC | OXT | 103.1° | 180.0° |
| CA | C | CAC | HACA | 136.8° | 60.0° |
| CAJ | N | HN | CA | 180.0° | 180.0° |
| CAJ | N | CA | HA | 27.3° | 35.0° |
| CAJ | N | CA | CB | 147.3° | 85.0° |
| N | CAJ | OAL | CAK | 179.9° | 180.0° |
| N | CAJ | CAK | CAN | 97.8° | 60.0° |
| N | CAJ | CAK | NAM | 142.1° | 180.0° |
| N | CAJ | CAK | HAK | 22.2° | 60.1° |
| HN | N | CA | HA | 152.7° | 145.0° |
| HN | N | CA | CB | 32.7° | 95.0° |
| HN | N | CAJ | OAL | 180.0° | 180.0° |
| HN | N | CAJ | CAK | 0.0° | 0.0° |
| O | C | CA | N | 167.9° | 15.3° |
| O | C | CA | HA | 47.9° | 135.3° |
| O | C | CA | CB | 72.1° | 104.8° |
| O | C | CAC | HAC | 163.1° | 119.7° |
| O | C | CAC | OXT | 76.9° | 0.3° |
| O | C | CAC | HACA | 43.1° | 120.3° |
| N | CA | HA | CB | 120.0° | 120.0° |
| N | CA | CB | HB | 1.0° | 55.0° |
| N | CA | CB | HBA | 120.9° | 175.1° |
| N | CA | CB | CG | 119.0° | 65.0° |
| CA | N | CAJ | OAL | 0.0° | 0.0° |
| CA | N | CAJ | CAK | 180.0° | 180.0° |
| HA | CA | CB | HB | 120.9° | 175.0° |
| HA | CA | CB | HBA | 119.1° | 64.9° |
| HA | CA | CB | CG | 0.9° | 55.0° |
| CA | CB | HB | HBA | 120.0° | 120.1° |
| CA | CB | HB | CG | 120.0° | 119.9° |
| CA | CB | HBA | CG | 120.0° | 120.0° |
| CA | CB | CG | CD2 | 133.6° | 65.1° |
| CA | CB | CG | CD1 | 9.7° | 175.0° |
| CA | CB | CG | HG | 108.3° | 55.0° |
| HB | CB | HBA | CG | 120.0° | 120.0° |
| HB | CB | CG | CD2 | 13.6° | 175.0° |
| HB | CB | CG | CD1 | 110.3° | 55.0° |
| HB | CB | CG | HG | 131.7° | 65.0° |
| HBA | CB | CG | CD2 | 106.4° | 55.0° |
| HBA | CB | CG | CD1 | 129.7° | 65.0° |
| HBA | CB | CG | HG | 11.7° | 175.0° |
| CB | CG | CD2 | CD1 | 123.9° | 120.0° |
| CB | CG | CD2 | HG | 118.1° | 120.0° |
| CB | CG | CD1 | HG | 118.1° | 120.0° |
| CB | CG | CD1 | HD1 | 180.0° | 60.0° |
| CB | CG | CD1 | HD1A | 60.0° | 180.0° |
| CB | CG | CD1 | HD1B | 60.0° | 60.0° |
| CB | CG | CD2 | HD2 | 180.0° | 59.9° |
| CB | CG | CD2 | HD2A | 60.0° | 60.0° |
| CB | CG | CD2 | HD2B | 60.0° | 180.0° |
| CD2 | CG | CD1 | HG | 118.0° | 120.0° |
| CD2 | CG | CD1 | HD1 | 56.1° | 60.0° |
| CD2 | CG | CD1 | HD1A | 176.1° | 60.0° |
| CD2 | CG | CD1 | HD1B | 63.9° | 180.0° |
| CG | CD2 | HD2 | HD2A | 120.0° | 120.0° |
| CG | CD2 | HD2 | HD2B | 120.0° | 120.0° |
| CG | CD2 | HD2A | HD2B | 120.0° | 120.0° |
| CG | CD1 | HD1 | HD1A | 120.0° | 120.0° |
| CG | CD1 | HD1 | HD1B | 120.0° | 120.0° |
| CG | CD1 | HD1A | HD1B | 120.0° | 120.0° |
| CD1 | CG | CD2 | HD2 | 56.1° | 60.0° |
| CD1 | CG | CD2 | HD2A | 63.9° | 180.0° |
| CD1 | CG | CD2 | HD2B | 176.1° | 60.0° |
| HG | CG | CD1 | HD1 | 61.9° | 180.0° |
| HG | CG | CD1 | HD1A | 58.1° | 60.0° |
| HG | CG | CD1 | HD1B | 178.1° | 60.0° |
| HG | CG | CD2 | HD2 | 61.9° | 180.0° |
| HG | CG | CD2 | HD2A | 178.1° | 60.1° |
| HG | CG | CD2 | HD2B | 58.1° | 60.0° |
| HAC | CAC | OXT | HACA | 120.0° | 120.0° |
| HAC | CAC | OXT | HXT | 60.0° | 60.0° |
| HACA | CAC | OXT | HXT | 60.0° | 60.0° |
| OAL | CAJ | CAK | CAN | 82.2° | 120.0° |
| OAL | CAJ | CAK | NAM | 37.9° | 0.0° |
| OAL | CAJ | CAK | HAK | 157.9° | 119.9° |
| CAJ | CAK | CAN | NAM | 120.0° | 120.0° |
| CAJ | CAK | CAN | HAK | 120.0° | 120.1° |
| CAJ | CAK | NAM | HAK | 119.9° | 120.0° |
| CAJ | CAK | NAM | CAP | 73.3° | 155.0° |
| CAJ | CAK | NAM | HNAM | 106.7° | 25.0° |
| CAJ | CAK | CAN | HAN | 156.5° | 65.1° |
| CAJ | CAK | CAN | HANA | 36.5° | 175.0° |
| CAJ | CAK | CAN | OAO | 83.5° | 55.0° |
| CAN | CAK | NAM | HAK | 120.0° | 120.0° |
| CAN | CAK | NAM | CAP | 166.6° | 85.0° |
| CAN | CAK | NAM | HNAM | 13.4° | 95.0° |
| CAK | CAN | HAN | HANA | 120.0° | 120.0° |
| CAK | CAN | HAN | OAO | 120.0° | 120.0° |
| CAK | CAN | HANA | OAO | 120.0° | 120.0° |
| CAK | CAN | OAO | HOAO | 180.0° | 180.0° |
| CAK | NAM | CAP | HNAM | 180.0° | 180.0° |
| NAM | CAK | CAN | HAN | 36.5° | 175.0° |
| NAM | CAK | CAN | HANA | 83.6° | 55.0° |
| NAM | CAK | CAN | OAO | 156.5° | 65.0° |
| CAK | NAM | CAP | CAQ | 180.0° | 180.0° |
| CAK | NAM | CAP | OAR | 0.0° | 0.0° |
| HAK | CAK | NAM | CAP | 46.6° | 35.0° |
| HAK | CAK | NAM | HNAM | 133.4° | 145.0° |
| HAK | CAK | CAN | HAN | 83.5° | 55.0° |
| HAK | CAK | CAN | HANA | 156.5° | 64.9° |
| HAK | CAK | CAN | OAO | 36.5° | 175.0° |
| NAM | CAP | CAQ | OAR | 180.0° | 179.9° |
| NAM | CAP | CAQ | NAS | 166.2° | 180.0° |
| NAM | CAP | CAQ | HAQ | 73.8° | 60.0° |
| NAM | CAP | CAQ | HAQA | 46.2° | 60.0° |
| HNAM | NAM | CAP | CAQ | 0.0° | 0.1° |
| HNAM | NAM | CAP | OAR | 180.0° | 180.0° |
| HAN | CAN | HANA | OAO | 120.0° | 120.0° |
| HAN | CAN | OAO | HOAO | 60.0° | 60.0° |
| HANA | CAN | OAO | HOAO | 60.0° | 60.0° |
| CAP | CAQ | NAS | HAQ | 120.0° | 120.0° |
| CAP | CAQ | NAS | HAQA | 120.0° | 120.0° |
| CAP | CAQ | HAQ | HAQA | 120.0° | 120.0° |
| CAP | CAQ | NAS | CAT | 85.1° | 180.0° |
| CAP | CAQ | NAS | HNAS | 94.9° | 0.0° |
| NAS | CAQ | HAQ | HAQA | 120.0° | 120.0° |
| NAS | CAQ | CAP | OAR | 13.7° | 0.0° |
| CAQ | NAS | CAT | HNAS | 180.0° | 180.0° |
| CAQ | NAS | CAT | CAU | 180.0° | 180.0° |
| CAQ | NAS | CAT | OAV | 0.1° | 0.0° |
| HAQ | CAQ | CAP | OAR | 106.2° | 120.0° |
| HAQ | CAQ | NAS | CAT | 154.9° | 60.0° |
| HAQ | CAQ | NAS | HNAS | 25.1° | 120.0° |
| HAQA | CAQ | CAP | OAR | 133.7° | 120.0° |
| HAQA | CAQ | NAS | CAT | 34.9° | 60.0° |
| HAQA | CAQ | NAS | HNAS | 145.1° | 120.0° |
| NAS | CAT | CAU | OAV | 179.9° | 180.0° |
| NAS | CAT | CAU | HAU | 179.9° | 0.0° |
| NAS | CAT | CAU | HAUA | 59.9° | 120.0° |
| NAS | CAT | CAU | HAUB | 60.1° | 120.1° |
| HNAS | NAS | CAT | CAU | 0.0° | 0.0° |
| HNAS | NAS | CAT | OAV | 179.9° | 180.0° |
| CAT | CAU | HAU | HAUA | 120.0° | 120.0° |
| CAT | CAU | HAU | HAUB | 120.0° | 120.1° |
| CAT | CAU | HAUA | HAUB | 120.0° | 120.0° |
| OAV | CAT | CAU | HAU | 0.0° | 180.0° |
| OAV | CAT | CAU | HAUA | 120.0° | 60.0° |
| OAV | CAT | CAU | HAUB | 120.0° | 59.9° |
| HAU | CAU | HAUA | HAUB | 120.0° | 120.0° |
| HD1 | CD1 | HD1A | HD1B | 120.0° | 119.9° |
| HD2 | CD2 | HD2A | HD2B | 120.0° | 120.0° |
