GUS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | CAL | doub | 1.29Å | 1.32Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| NAA | CAB | doub | 1.30Å | 1.33Å | |
| CAB | NAC | sing | 1.38Å | 1.31Å | |
| CAB | NAG | sing | 1.38Å | 1.33Å | |
| NAC | CAD | sing | 1.40Å | 1.33Å | |
| CAD | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAI | doub | 1.40Å | 1.39Å | Aromatic |
| CAI | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| CAI | CAL | sing | 1.47Å | 1.39Å | |
| CAJ | OAK | sing | 1.36Å | 1.36Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CB | HBB | sing | 1.09Å | 1.10Å | |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAC | HNAC | sing | 0.97Å | 1.00Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| NAG | HNAG | sing | 0.97Å | 1.00Å | |
| NAG | HNAB | sing | 0.97Å | 1.00Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| OAK | HOAK | sing | 0.97Å | 0.95Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 116.8° | 120.0° |
| O | C | OXT | 125.9° | 120.0° |
| CA | C | OXT | 117.3° | 120.0° |
| C | CA | N | 110.6° | 109.5° |
| C | CA | CB | 109.4° | 109.5° |
| C | CA | HA | 108.7° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | N | CAL | 118.6° | 120.0° |
| N | CA | CB | 109.2° | 109.5° |
| N | CA | HA | 108.8° | 109.5° |
| N | CAL | CAI | 122.6° | 120.0° |
| N | CAL | HAL | 118.7° | 120.1° |
| CB | CA | HA | 110.1° | 109.5° |
| CA | CB | HB | 109.5° | 109.4° |
| CA | CB | HBA | 109.4° | 109.5° |
| CA | CB | HBB | 109.5° | 109.5° |
| NAA | CAB | NAC | 122.7° | 120.0° |
| NAA | CAB | NAG | 119.3° | 120.0° |
| CAB | NAA | HNAA | 112.0° | 120.0° |
| NAC | CAB | NAG | 117.9° | 120.0° |
| CAB | NAC | CAD | 142.0° | 120.0° |
| CAB | NAC | HNAC | 109.0° | 119.9° |
| CAB | NAG | HNAG | 120.0° | 119.9° |
| CAB | NAG | HNAB | 120.0° | 120.0° |
| NAC | CAD | CAE | 121.9° | 119.9° |
| NAC | CAD | CAH | 118.7° | 119.9° |
| CAD | NAC | HNAC | 109.0° | 120.0° |
| CAE | CAD | CAH | 119.4° | 120.1° |
| CAD | CAE | CAF | 120.0° | 120.3° |
| CAD | CAE | HAE | 120.0° | 119.8° |
| CAD | CAH | CAI | 120.8° | 119.8° |
| CAD | CAH | HAH | 119.6° | 120.1° |
| CAE | CAF | CAJ | 120.3° | 120.2° |
| CAF | CAE | HAE | 120.0° | 119.9° |
| CAE | CAF | HAF | 119.8° | 119.9° |
| CAF | CAJ | CAI | 119.7° | 119.8° |
| CAF | CAJ | OAK | 119.8° | 120.1° |
| CAJ | CAF | HAF | 119.9° | 119.9° |
| CAH | CAI | CAJ | 119.7° | 119.7° |
| CAH | CAI | CAL | 118.8° | 120.1° |
| CAI | CAH | HAH | 119.6° | 120.1° |
| CAJ | CAI | CAL | 121.5° | 120.2° |
| CAI | CAJ | OAK | 120.5° | 120.1° |
| CAI | CAL | HAL | 118.7° | 120.0° |
| CAJ | OAK | HOAK | 109.5° | 114.0° |
| HB | CB | HBA | 109.5° | 109.4° |
| HB | CB | HBB | 109.5° | 109.5° |
| HBA | CB | HBB | 109.5° | 109.5° |
| HNAG | NAG | HNAB | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 179.9° | 179.7° |
| O | C | CA | N | 176.3° | 0.0° |
| O | C | CA | CB | 56.0° | 120.0° |
| O | C | CA | HA | 64.3° | 120.1° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | CB | 120.4° | 120.0° |
| C | CA | N | HA | 119.3° | 120.0° |
| C | CA | N | CAL | 172.9° | 120.0° |
| C | CA | CB | HA | 119.3° | 120.0° |
| C | CA | CB | HB | 180.0° | 180.0° |
| C | CA | CB | HBA | 60.0° | 60.0° |
| C | CA | CB | HBB | 60.0° | 60.0° |
| CA | C | OXT | HXT | 179.9° | 179.7° |
| OXT | C | CA | N | 3.8° | 179.7° |
| OXT | C | CA | CB | 124.2° | 59.7° |
| OXT | C | CA | HA | 115.6° | 60.3° |
| N | CA | CB | HA | 119.4° | 120.0° |
| CA | N | CAL | CAI | 177.9° | 180.0° |
| N | CA | CB | HB | 58.8° | 60.0° |
| N | CA | CB | HBA | 61.2° | 60.0° |
| N | CA | CB | HBB | 178.8° | 180.0° |
| CA | N | CAL | HAL | 2.1° | 0.0° |
| CAL | N | CA | CB | 66.6° | 120.0° |
| N | CAL | CAI | CAH | 169.3° | 180.0° |
| N | CAL | CAI | CAJ | 9.0° | 0.1° |
| N | CAL | CAI | HAL | 180.0° | 180.0° |
| CAL | N | CA | HA | 53.6° | 0.0° |
| CA | CB | HB | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBB | 120.0° | 120.0° |
| CA | CB | HBA | HBB | 120.0° | 120.0° |
| NAA | CAB | NAC | NAG | 179.5° | 179.9° |
| NAA | CAB | NAC | CAD | 27.3° | 5.5° |
| NAA | CAB | NAC | HNAC | 152.7° | 174.4° |
| NAA | CAB | NAG | HNAG | 179.5° | 6.1° |
| NAA | CAB | NAG | HNAB | 0.4° | 173.9° |
| CAB | NAC | CAD | HNAC | 180.0° | 180.0° |
| CAB | NAC | CAD | CAE | 123.6° | 147.0° |
| CAB | NAC | CAD | CAH | 54.9° | 33.2° |
| NAC | CAB | NAA | HNAA | 179.5° | 180.0° |
| NAC | CAB | NAG | HNAG | 0.0° | 173.9° |
| NAC | CAB | NAG | HNAB | 180.0° | 6.0° |
| NAG | CAB | NAC | CAD | 153.1° | 174.6° |
| NAG | CAB | NAA | HNAA | 0.0° | 0.1° |
| NAG | CAB | NAC | HNAC | 26.8° | 5.5° |
| CAB | NAG | HNAG | HNAB | 180.0° | 179.9° |
| NAC | CAD | CAE | CAH | 178.5° | 179.8° |
| NAC | CAD | CAE | CAF | 178.1° | 180.0° |
| NAC | CAD | CAH | CAI | 178.1° | 180.0° |
| NAC | CAD | CAE | HAE | 1.9° | 0.0° |
| NAC | CAD | CAH | HAH | 1.9° | 0.1° |
| CAD | CAE | CAF | HAE | 180.0° | 179.9° |
| CAD | CAE | CAF | CAJ | 0.1° | 0.1° |
| CAE | CAD | CAH | CAI | 0.4° | 0.2° |
| CAE | CAD | NAC | HNAC | 56.4° | 33.0° |
| CAD | CAE | CAF | HAF | 179.9° | 180.0° |
| CAE | CAD | CAH | HAH | 179.5° | 179.7° |
| CAH | CAD | CAE | CAF | 0.4° | 0.2° |
| CAD | CAH | CAI | HAH | 180.0° | 180.0° |
| CAD | CAH | CAI | CAJ | 0.1° | 0.0° |
| CAD | CAH | CAI | CAL | 178.1° | 180.0° |
| CAH | CAD | NAC | HNAC | 125.1° | 146.8° |
| CAH | CAD | CAE | HAE | 179.6° | 179.8° |
| CAE | CAF | CAJ | HAF | 180.0° | 179.9° |
| CAE | CAF | CAJ | CAI | 0.2° | 0.3° |
| CAE | CAF | CAJ | OAK | 179.3° | 179.9° |
| CAF | CAJ | CAI | CAH | 0.2° | 0.3° |
| CAF | CAJ | CAI | OAK | 179.6° | 179.8° |
| CAF | CAJ | CAI | CAL | 178.4° | 179.7° |
| CAJ | CAF | CAE | HAE | 179.9° | 179.9° |
| CAF | CAJ | OAK | HOAK | 180.0° | 90.0° |
| CAH | CAI | CAJ | CAL | 178.2° | 179.9° |
| CAH | CAI | CAJ | OAK | 179.4° | 180.0° |
| CAH | CAI | CAL | HAL | 10.7° | 0.0° |
| CAI | CAJ | CAF | HAF | 179.8° | 179.8° |
| CAJ | CAI | CAH | HAH | 179.8° | 179.9° |
| CAI | CAJ | OAK | HOAK | 0.4° | 89.7° |
| CAJ | CAI | CAL | HAL | 171.0° | 180.0° |
| CAL | CAI | CAJ | OAK | 1.1° | 0.1° |
| CAL | CAI | CAH | HAH | 1.9° | 0.0° |
| OAK | CAJ | CAF | HAF | 0.7° | 0.0° |
| HA | CA | CB | HB | 60.7° | 60.0° |
| HA | CA | CB | HBA | 179.3° | 180.0° |
| HA | CA | CB | HBB | 59.4° | 60.0° |
| HB | CB | HBA | HBB | 120.0° | 120.0° |
| HAE | CAE | CAF | HAF | 0.1° | 0.0° |
