SZF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | N | sing | 1.47Å | 1.48Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| C36 | C35 | doub | 1.39Å | 1.49Å | Aromatic |
| C36 | C37 | sing | 1.37Å | 1.51Å | Aromatic |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | C27 | sing | 1.53Å | 1.52Å | |
| C35 | C34 | sing | 1.38Å | 1.51Å | Aromatic |
| C | O | doub | 1.21Å | 1.18Å | |
| C37 | C38 | doub | 1.40Å | 1.58Å | Aromatic |
| C34 | C33 | doub | 1.39Å | 1.58Å | Aromatic |
| C38 | C33 | sing | 1.41Å | 1.40Å | Aromatic |
| C38 | C28 | sing | 1.46Å | 1.38Å | Aromatic |
| C33 | N30 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.57Å | |
| C28 | C29 | doub | 1.34Å | 1.40Å | Aromatic |
| N30 | C29 | sing | 1.37Å | 1.38Å | Aromatic |
| N30 | O31 | sing | 1.42Å | 1.42Å | |
| O31 | C32 | sing | 1.43Å | 1.41Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.50Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | N | CA | 121.0° | 111.0° |
| N | C25 | H253 | 109.5° | 109.5° |
| N | C25 | H252 | 109.5° | 109.5° |
| N | C25 | H251 | 109.5° | 109.5° |
| C25 | N | H | 106.5° | 111.0° |
| N | CA | C | 111.5° | 109.5° |
| N | CA | C27 | 110.0° | 109.5° |
| N | CA | HA | 108.6° | 109.5° |
| CA | N | H | 106.5° | 111.0° |
| C35 | C36 | C37 | 119.7° | 120.5° |
| C36 | C35 | C34 | 119.8° | 120.7° |
| C36 | C35 | H351 | 120.1° | 119.6° |
| C35 | C36 | H361 | 120.1° | 119.8° |
| C36 | C37 | C38 | 120.1° | 119.8° |
| C37 | C36 | H361 | 120.2° | 119.7° |
| C36 | C37 | H371 | 120.0° | 120.1° |
| C | CA | C27 | 110.7° | 109.5° |
| CA | C | O | 120.6° | 120.0° |
| C | CA | HA | 107.8° | 109.5° |
| CA | C | OXT | 118.4° | 120.0° |
| CA | C27 | C28 | 108.6° | 109.4° |
| C27 | CA | HA | 108.1° | 109.5° |
| CA | C27 | H271 | 109.7° | 109.4° |
| CA | C27 | H272 | 109.7° | 109.5° |
| C35 | C34 | C33 | 120.0° | 119.8° |
| C35 | C34 | H341 | 120.0° | 120.1° |
| C34 | C35 | H351 | 120.1° | 119.7° |
| O | C | OXT | 121.0° | 119.9° |
| C37 | C38 | C33 | 120.3° | 119.9° |
| C37 | C38 | C28 | 131.8° | 134.0° |
| C38 | C37 | H371 | 119.9° | 120.1° |
| C34 | C33 | C38 | 120.2° | 119.3° |
| C34 | C33 | N30 | 131.9° | 133.6° |
| C33 | C34 | H341 | 120.0° | 120.1° |
| C33 | C38 | C28 | 107.9° | 106.0° |
| C38 | C33 | N30 | 107.9° | 107.1° |
| C38 | C28 | C27 | 126.0° | 126.5° |
| C38 | C28 | C29 | 108.0° | 107.0° |
| C33 | N30 | C29 | 108.1° | 109.9° |
| C33 | N30 | O31 | 126.0° | 125.0° |
| C27 | C28 | C29 | 126.0° | 126.5° |
| C28 | C27 | H271 | 109.7° | 109.5° |
| C28 | C27 | H272 | 109.7° | 109.5° |
| C28 | C29 | N30 | 108.0° | 110.0° |
| C28 | C29 | H291 | 126.0° | 125.0° |
| C29 | N30 | O31 | 125.8° | 125.1° |
| N30 | C29 | H291 | 126.0° | 125.0° |
| N30 | O31 | C32 | 111.4° | 113.9° |
| O31 | C32 | H323 | 109.5° | 109.5° |
| O31 | C32 | H321 | 109.5° | 109.5° |
| O31 | C32 | H322 | 109.5° | 109.5° |
| H253 | C25 | H252 | 109.5° | 109.4° |
| H253 | C25 | H251 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H323 | C32 | H321 | 109.5° | 109.5° |
| H323 | C32 | H322 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | N | CA | H | 121.6° | 123.9° |
| C25 | N | CA | C | 56.8° | 80.6° |
| C25 | N | CA | C27 | 66.3° | 159.4° |
| C25 | N | CA | HA | 175.5° | 39.4° |
| N | C25 | H253 | H252 | 120.0° | 120.0° |
| N | C25 | H253 | H251 | 120.0° | 120.1° |
| N | C25 | H252 | H251 | 120.0° | 120.1° |
| N | CA | C | C27 | 122.8° | 120.0° |
| N | CA | C | HA | 119.1° | 120.0° |
| N | CA | C27 | HA | 118.5° | 120.0° |
| N | CA | C | O | 142.4° | 25.4° |
| N | CA | C27 | C28 | 64.2° | 65.9° |
| CA | N | C25 | H253 | 180.0° | 55.1° |
| CA | N | C25 | H252 | 60.0° | 175.1° |
| CA | N | C25 | H251 | 60.0° | 64.9° |
| N | CA | C27 | H271 | 55.7° | 54.0° |
| N | CA | C27 | H272 | 175.9° | 174.0° |
| N | CA | C | OXT | 38.6° | 154.6° |
| C35 | C36 | C37 | H361 | 180.0° | 179.7° |
| C36 | C35 | C34 | H351 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.1° | 0.4° |
| C36 | C35 | C34 | C33 | 0.3° | 0.1° |
| C36 | C35 | C34 | H341 | 179.8° | 179.9° |
| C35 | C36 | C37 | H371 | 179.9° | 180.0° |
| C37 | C36 | C35 | C34 | 0.2° | 0.3° |
| C36 | C37 | C38 | H371 | 180.0° | 179.6° |
| C36 | C37 | C38 | C33 | 0.1° | 0.4° |
| C36 | C37 | C38 | C28 | 179.9° | 179.7° |
| C37 | C36 | C35 | H351 | 179.8° | 179.9° |
| C | CA | C27 | HA | 117.9° | 120.0° |
| CA | C | O | OXT | 179.0° | 180.0° |
| C | CA | C27 | C28 | 172.2° | 174.1° |
| C | CA | C27 | H271 | 68.0° | 66.0° |
| C | CA | C27 | H272 | 52.3° | 54.0° |
| C | CA | N | H | 64.8° | 155.5° |
| CA | C | OXT | HXT | 179.0° | 180.0° |
| C27 | CA | C | O | 19.6° | 94.6° |
| CA | C27 | C28 | C38 | 131.2° | 87.3° |
| CA | C27 | C28 | H271 | 119.9° | 120.0° |
| CA | C27 | C28 | H272 | 119.9° | 120.0° |
| CA | C27 | C28 | C29 | 48.5° | 92.5° |
| CA | C27 | H271 | H272 | 120.4° | 120.0° |
| C27 | CA | N | H | 172.1° | 35.5° |
| C27 | CA | C | OXT | 161.4° | 85.4° |
| C35 | C34 | C33 | H341 | 180.0° | 180.0° |
| C35 | C34 | C33 | C38 | 0.3° | 0.1° |
| C35 | C34 | C33 | N30 | 179.5° | 180.0° |
| C34 | C35 | C36 | H361 | 179.8° | 180.0° |
| O | C | CA | HA | 98.5° | 145.4° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C37 | C38 | C33 | C34 | 0.2° | 0.2° |
| C37 | C38 | C33 | C28 | 179.9° | 179.9° |
| C37 | C38 | C33 | N30 | 179.6° | 179.8° |
| C37 | C38 | C28 | C27 | 0.2° | 0.1° |
| C37 | C38 | C28 | C29 | 180.0° | 179.7° |
| C38 | C37 | C36 | H361 | 179.9° | 179.9° |
| C34 | C33 | C38 | N30 | 179.8° | 180.0° |
| C34 | C33 | C38 | C28 | 179.9° | 179.9° |
| C34 | C33 | N30 | C29 | 179.6° | 180.0° |
| C34 | C33 | N30 | O31 | 1.2° | 0.0° |
| C33 | C34 | C35 | H351 | 179.7° | 180.0° |
| C33 | C38 | C28 | C27 | 179.9° | 180.0° |
| C33 | C38 | C28 | C29 | 0.2° | 0.2° |
| C38 | C33 | N30 | C29 | 0.6° | 0.0° |
| C38 | C33 | N30 | O31 | 179.0° | 180.0° |
| C38 | C33 | C34 | H341 | 179.8° | 180.0° |
| C33 | C38 | C37 | H371 | 179.9° | 180.0° |
| C28 | C38 | C33 | N30 | 0.2° | 0.1° |
| C38 | C28 | C27 | C29 | 179.7° | 179.8° |
| C38 | C28 | C29 | N30 | 0.6° | 0.2° |
| C38 | C28 | C27 | H271 | 11.3° | 32.7° |
| C38 | C28 | C27 | H272 | 109.0° | 152.7° |
| C38 | C28 | C29 | H291 | 179.4° | 179.8° |
| C28 | C38 | C37 | H371 | 0.0° | 0.1° |
| C33 | N30 | C29 | C28 | 0.7° | 0.1° |
| C33 | N30 | C29 | O31 | 178.4° | 180.0° |
| C33 | N30 | O31 | C32 | 88.9° | 180.0° |
| C33 | N30 | C29 | H291 | 179.3° | 179.9° |
| N30 | C33 | C34 | H341 | 0.5° | 0.0° |
| C27 | C28 | C29 | N30 | 179.7° | 180.0° |
| C28 | C27 | CA | HA | 54.3° | 54.1° |
| C28 | C27 | H271 | H272 | 120.4° | 120.1° |
| C27 | C28 | C29 | H291 | 0.3° | 0.0° |
| C28 | C29 | N30 | H291 | 180.0° | 180.0° |
| C28 | C29 | N30 | O31 | 179.1° | 179.9° |
| C29 | C28 | C27 | H271 | 168.4° | 147.6° |
| C29 | C28 | C27 | H272 | 71.4° | 27.5° |
| C29 | N30 | O31 | C32 | 93.0° | 0.0° |
| O31 | N30 | C29 | H291 | 0.9° | 0.1° |
| N30 | O31 | C32 | H323 | 180.0° | 60.0° |
| N30 | O31 | C32 | H321 | 60.0° | 180.0° |
| N30 | O31 | C32 | H322 | 60.0° | 60.1° |
| O31 | C32 | H323 | H321 | 120.0° | 120.0° |
| O31 | C32 | H323 | H322 | 120.0° | 120.0° |
| O31 | C32 | H321 | H322 | 120.0° | 119.9° |
| HA | CA | C27 | H271 | 174.2° | 174.0° |
| HA | CA | C27 | H272 | 65.6° | 66.0° |
| HA | CA | N | H | 53.9° | 84.5° |
| HA | CA | C | OXT | 80.5° | 34.6° |
| H253 | C25 | H252 | H251 | 120.0° | 119.9° |
| H253 | C25 | N | H | 58.4° | 179.0° |
| H252 | C25 | N | H | 61.6° | 61.1° |
| H251 | C25 | N | H | 178.4° | 59.0° |
| H323 | C32 | H321 | H322 | 120.0° | 120.0° |
| H341 | C34 | C35 | H351 | 0.2° | 0.1° |
| H351 | C35 | C36 | H361 | 0.2° | 0.1° |
| H361 | C36 | C37 | H371 | 0.1° | 0.3° |
