P5U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| O01 | S02 | doub | 1.42Å | 1.49Å | |
| C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.37Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| N08 | C07 | trip | 1.14Å | 1.14Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.43Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C06 | C09 | doub | 1.40Å | 1.39Å | Aromatic |
| C03 | S02 | sing | 1.76Å | 1.82Å | |
| C03 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| S02 | O18 | doub | 1.42Å | 1.51Å | |
| S02 | O11 | sing | 1.52Å | 1.65Å | |
| O11 | CB | sing | 1.43Å | 1.39Å | |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| C04 | H171 | sing | 1.08Å | 1.08Å | |
| C05 | H181 | sing | 1.08Å | 1.08Å | |
| C09 | H041 | sing | 1.08Å | 1.08Å | |
| C10 | H051 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 107.2° | 109.5° |
| N | CA | CB | 107.7° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 105.6° | 109.5° |
| O01 | S02 | C03 | 105.8° | 106.4° |
| O01 | S02 | O18 | 108.6° | 123.2° |
| O01 | S02 | O11 | 96.0° | 106.4° |
| C04 | C05 | C06 | 120.6° | 119.8° |
| C05 | C04 | C03 | 119.9° | 120.2° |
| C05 | C04 | H171 | 120.0° | 119.9° |
| C04 | C05 | H181 | 119.7° | 120.1° |
| C05 | C06 | C07 | 117.1° | 120.1° |
| C05 | C06 | C09 | 120.2° | 119.8° |
| C06 | C05 | H181 | 119.7° | 120.1° |
| C04 | C03 | S02 | 118.5° | 119.8° |
| C04 | C03 | C10 | 120.0° | 120.3° |
| C03 | C04 | H171 | 120.0° | 119.9° |
| N08 | C07 | C06 | 177.4° | 180.0° |
| C | CA | CB | 125.2° | 109.5° |
| CA | C | O | 117.6° | 120.0° |
| C | CA | HA | 104.7° | 109.5° |
| CA | C | OXT | 118.8° | 120.0° |
| CA | CB | O11 | 121.7° | 109.4° |
| CB | CA | HA | 104.9° | 109.5° |
| CA | CB | HB3 | 106.3° | 109.5° |
| CA | CB | HB2 | 106.3° | 109.5° |
| C07 | C06 | C09 | 122.6° | 120.1° |
| O | C | OXT | 123.2° | 119.9° |
| C06 | C09 | C10 | 119.7° | 119.8° |
| C06 | C09 | H041 | 120.1° | 120.2° |
| S02 | C03 | C10 | 121.4° | 119.8° |
| C03 | S02 | O18 | 114.9° | 106.4° |
| C03 | S02 | O11 | 120.4° | 107.2° |
| C03 | C10 | C09 | 119.5° | 120.1° |
| C03 | C10 | H051 | 120.3° | 119.9° |
| O18 | S02 | O11 | 108.7° | 106.4° |
| S02 | O11 | CB | 118.8° | 114.0° |
| O11 | CB | HB3 | 106.3° | 109.5° |
| O11 | CB | HB2 | 106.3° | 109.5° |
| C10 | C09 | H041 | 120.2° | 120.0° |
| C09 | C10 | H051 | 120.3° | 119.9° |
| H1 | N | H2 | 109.5° | 111.0° |
| HB3 | CB | HB2 | 109.5° | 109.5° |
| C | OXT | H3 | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | CB | 127.5° | 120.0° |
| N | CA | C | HA | 111.8° | 120.0° |
| N | CA | CB | HA | 112.1° | 120.0° |
| N | CA | C | O | 166.3° | 20.0° |
| N | CA | CB | O11 | 63.3° | 65.0° |
| CA | N | H1 | H2 | 120.0° | 124.0° |
| N | CA | CB | HB3 | 175.1° | 55.0° |
| N | CA | CB | HB2 | 58.4° | 175.0° |
| N | CA | C | OXT | 7.0° | 160.0° |
| O01 | S02 | C03 | C04 | 42.3° | 156.7° |
| O01 | S02 | C03 | O18 | 119.9° | 132.9° |
| O01 | S02 | C03 | O11 | 107.0° | 113.5° |
| O01 | S02 | C03 | C10 | 140.4° | 23.6° |
| O01 | S02 | O18 | O11 | 103.3° | 122.9° |
| O01 | S02 | O11 | CB | 91.4° | 171.4° |
| C04 | C05 | C06 | H181 | 180.0° | 180.0° |
| C05 | C04 | C03 | H171 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.2° | 180.0° |
| C04 | C05 | C06 | C09 | 1.3° | 0.0° |
| C05 | C04 | C03 | S02 | 177.9° | 180.0° |
| C05 | C04 | C03 | C10 | 0.6° | 0.3° |
| C06 | C05 | C04 | C03 | 0.5° | 0.0° |
| C05 | C06 | C07 | N08 | 7.3° | 134.2° |
| C05 | C06 | C07 | C09 | 179.5° | 180.0° |
| C05 | C06 | C09 | C10 | 0.9° | 0.3° |
| C06 | C05 | C04 | H171 | 179.5° | 180.0° |
| C05 | C06 | C09 | H041 | 179.1° | 180.0° |
| C04 | C03 | S02 | C10 | 177.3° | 179.7° |
| C04 | C03 | S02 | O18 | 162.1° | 23.8° |
| C04 | C03 | S02 | O11 | 64.7° | 89.8° |
| C04 | C03 | C10 | C09 | 0.9° | 0.6° |
| C03 | C04 | C05 | H181 | 179.5° | 180.0° |
| C04 | C03 | C10 | H051 | 179.1° | 179.8° |
| N08 | C07 | C06 | C09 | 173.2° | 45.8° |
| C | CA | CB | HA | 120.6° | 120.0° |
| CA | C | O | OXT | 173.0° | 179.9° |
| C | CA | CB | O11 | 64.0° | 175.0° |
| C | CA | N | H1 | 180.0° | 63.9° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | HB3 | 57.6° | 65.0° |
| C | CA | CB | HB2 | 174.3° | 55.0° |
| CA | C | OXT | H3 | 172.9° | 180.0° |
| CB | CA | C | O | 66.2° | 100.0° |
| CA | CB | O11 | S02 | 112.3° | 180.0° |
| CA | CB | O11 | HB3 | 121.7° | 120.0° |
| CA | CB | O11 | HB2 | 121.7° | 120.0° |
| CB | CA | N | H1 | 42.9° | 176.0° |
| CB | CA | N | H2 | 162.9° | 60.0° |
| CA | CB | HB3 | HB2 | 114.5° | 120.0° |
| CB | CA | C | OXT | 120.5° | 80.0° |
| C07 | C06 | C09 | C10 | 179.6° | 179.7° |
| C07 | C06 | C05 | H181 | 0.8° | 0.0° |
| C07 | C06 | C09 | H041 | 0.4° | 0.0° |
| O | C | CA | HA | 54.5° | 140.0° |
| O | C | OXT | H3 | 0.0° | 0.0° |
| C06 | C09 | C10 | C03 | 0.2° | 0.6° |
| C06 | C09 | C10 | H041 | 180.0° | 179.7° |
| C09 | C06 | C05 | H181 | 178.7° | 180.0° |
| C06 | C09 | C10 | H051 | 179.9° | 179.7° |
| C03 | S02 | O18 | O11 | 138.4° | 114.1° |
| C03 | S02 | O11 | CB | 20.9° | 75.0° |
| S02 | C03 | C10 | C09 | 178.2° | 179.7° |
| S02 | C03 | C04 | H171 | 2.1° | 0.0° |
| S02 | C03 | C10 | H051 | 1.8° | 0.0° |
| C10 | C03 | S02 | O18 | 20.5° | 156.5° |
| C10 | C03 | S02 | O11 | 112.6° | 90.0° |
| C03 | C10 | C09 | H051 | 180.0° | 179.7° |
| C10 | C03 | C04 | H171 | 179.4° | 179.7° |
| C03 | C10 | C09 | H041 | 179.8° | 179.7° |
| O18 | S02 | O11 | CB | 156.6° | 38.5° |
| S02 | O11 | CB | HB3 | 126.0° | 60.0° |
| S02 | O11 | CB | HB2 | 9.4° | 60.0° |
| O11 | CB | CA | HA | 175.4° | 55.0° |
| O11 | CB | HB3 | HB2 | 114.5° | 120.0° |
| H1 | N | CA | HA | 68.8° | 56.0° |
| H2 | N | CA | HA | 51.2° | 180.0° |
| HA | CA | CB | HB3 | 62.9° | 175.0° |
| HA | CA | CB | HB2 | 53.7° | 65.0° |
| HA | CA | C | OXT | 118.8° | 40.0° |
| H171 | C04 | C05 | H181 | 0.5° | 0.0° |
| H041 | C09 | C10 | H051 | 0.1° | 0.1° |
