SE0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB | OG | sing | 1.45Å | 1.38Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| C8 | OG | sing | 1.34Å | 1.38Å | |
| C6 | S1 | sing | 1.82Å | 1.83Å | |
| S1 | C2 | sing | 1.82Å | 1.88Å | |
| C3 | C2 | sing | 1.52Å | 1.56Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.47Å | 1.57Å | |
| C3 | C3' | doub | 1.33Å | 1.38Å | |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C3' | H3'A | sing | 1.08Å | 1.08Å | |
| N5 | C4 | doub | 1.28Å | 1.40Å | |
| C4' | C4 | sing | 1.49Å | 1.55Å | |
| O4A | C4' | doub | 1.21Å | 1.26Å | |
| C4' | O4B | sing | 1.35Å | 1.25Å | |
| O4B | HO4B | sing | 0.97Å | 0.95Å | |
| N5 | C6 | sing | 1.45Å | 1.48Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| N10 | C7 | sing | 1.46Å | 1.46Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O9 | C8 | doub | 1.21Å | 1.23Å | |
| C11 | N10 | sing | 1.35Å | 1.32Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C13 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | O12 | doub | 1.21Å | 1.24Å | |
| C13 | C14 | sing | 1.53Å | 1.49Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | S19 | sing | 1.83Å | 1.63Å | |
| C14 | C15 | sing | 1.55Å | 1.39Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.54Å | 1.46Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.54Å | 1.29Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| S19 | C17 | sing | 1.83Å | 1.68Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.5° | 111.0° |
| N | CA | C | 119.2° | 109.5° |
| N | CA | CB | 111.3° | 109.5° |
| N | CA | HA | 100.3° | 109.5° |
| HN | N | HNA | 109.5° | 111.0° |
| C | CA | CB | 107.6° | 109.5° |
| C | CA | HA | 104.7° | 109.4° |
| CA | C | O | 119.4° | 120.0° |
| CA | C | OXT | 117.6° | 120.0° |
| CB | CA | HA | 113.6° | 109.5° |
| CA | CB | OG | 107.9° | 109.4° |
| CA | CB | HB | 110.0° | 109.4° |
| CA | CB | HBA | 110.4° | 109.5° |
| O | C | OXT | 123.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| OG | CB | HB | 110.0° | 109.5° |
| OG | CB | HBA | 110.3° | 109.5° |
| CB | OG | C8 | 110.9° | 117.0° |
| HB | CB | HBA | 108.3° | 109.5° |
| OG | C8 | C7 | 118.0° | 120.0° |
| OG | C8 | O9 | 118.8° | 120.0° |
| C6 | S1 | C2 | 99.9° | 101.4° |
| S1 | C6 | N5 | 111.7° | 110.4° |
| S1 | C6 | C7 | 112.1° | 109.3° |
| S1 | C6 | H6 | 105.4° | 109.3° |
| S1 | C2 | C3 | 112.5° | 106.7° |
| S1 | C2 | H2 | 108.5° | 110.0° |
| S1 | C2 | H2A | 107.8° | 110.0° |
| C3 | C2 | H2 | 108.5° | 110.0° |
| C3 | C2 | H2A | 107.8° | 110.1° |
| C2 | C3 | C4 | 120.2° | 119.3° |
| C2 | C3 | C3' | 119.1° | 120.4° |
| H2 | C2 | H2A | 111.9° | 110.0° |
| C4 | C3 | C3' | 120.5° | 120.3° |
| C3 | C4 | N5 | 120.4° | 126.3° |
| C3 | C4 | C4' | 123.5° | 116.8° |
| C3 | C3' | H3' | 105.3° | 120.0° |
| C3 | C3' | H3'A | 127.3° | 120.0° |
| H3' | C3' | H3'A | 127.3° | 120.0° |
| N5 | C4 | C4' | 116.0° | 116.9° |
| C4 | N5 | C6 | 124.0° | 127.7° |
| C4 | C4' | O4A | 118.7° | 120.0° |
| C4 | C4' | O4B | 119.1° | 120.0° |
| O4A | C4' | O4B | 122.1° | 120.0° |
| C4' | O4B | HO4B | 109.5° | 116.9° |
| N5 | C6 | C7 | 107.2° | 109.3° |
| N5 | C6 | H6 | 110.5° | 109.4° |
| C7 | C6 | H6 | 110.0° | 109.2° |
| C6 | C7 | C8 | 106.8° | 109.5° |
| C6 | C7 | N10 | 112.3° | 109.5° |
| C6 | C7 | H7 | 108.6° | 109.5° |
| C8 | C7 | N10 | 107.0° | 109.5° |
| C8 | C7 | H7 | 113.7° | 109.5° |
| C7 | C8 | O9 | 119.8° | 120.0° |
| N10 | C7 | H7 | 108.4° | 109.5° |
| C7 | N10 | C11 | 121.8° | 120.0° |
| C7 | N10 | HN10 | 119.1° | 120.0° |
| C11 | N10 | HN10 | 119.1° | 120.0° |
| N10 | C11 | C13 | 116.3° | 120.0° |
| N10 | C11 | O12 | 122.6° | 119.9° |
| C13 | C11 | O12 | 121.0° | 120.0° |
| C11 | C13 | C14 | 117.7° | 109.5° |
| C11 | C13 | H13 | 106.8° | 109.5° |
| C11 | C13 | H13A | 104.9° | 109.5° |
| C14 | C13 | H13 | 106.8° | 109.5° |
| C14 | C13 | H13A | 104.9° | 109.4° |
| C13 | C14 | S19 | 121.4° | 110.9° |
| C13 | C14 | C15 | 124.3° | 110.9° |
| C13 | C14 | H14 | 34.7° | 110.8° |
| H13 | C13 | H13A | 116.1° | 109.5° |
| S19 | C14 | C15 | 114.2° | 102.2° |
| S19 | C14 | H14 | 131.6° | 110.9° |
| C14 | S19 | C17 | 92.8° | 97.5° |
| C15 | C14 | H14 | 105.1° | 111.0° |
| C14 | C15 | C16 | 103.3° | 106.9° |
| C14 | C15 | H15 | 111.6° | 110.0° |
| C14 | C15 | H15A | 112.9° | 110.0° |
| C16 | C15 | H15 | 111.6° | 110.0° |
| C16 | C15 | H15A | 112.9° | 110.0° |
| C15 | C16 | C17 | 117.0° | 108.9° |
| C15 | C16 | H16 | 107.0° | 109.6° |
| C15 | C16 | H16A | 105.3° | 109.6° |
| H15 | C15 | H15A | 104.8° | 110.0° |
| C17 | C16 | H16 | 107.1° | 109.6° |
| C17 | C16 | H16A | 105.3° | 109.6° |
| C16 | C17 | S19 | 109.7° | 104.7° |
| C16 | C17 | H17 | 109.4° | 110.4° |
| C16 | C17 | H17A | 109.3° | 110.4° |
| H16 | C16 | H16A | 115.5° | 109.5° |
| S19 | C17 | H17 | 109.3° | 110.3° |
| S19 | C17 | H17A | 109.3° | 110.5° |
| H17 | C17 | H17A | 109.7° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN | HNA | 120.0° | 124.0° |
| N | CA | C | CB | 127.9° | 120.0° |
| N | CA | C | HA | 110.9° | 120.0° |
| N | CA | CB | HA | 112.3° | 120.0° |
| N | CA | C | O | 165.0° | 20.0° |
| N | CA | C | OXT | 15.1° | 160.0° |
| N | CA | CB | OG | 86.8° | 65.0° |
| N | CA | CB | HB | 33.2° | 55.0° |
| N | CA | CB | HBA | 152.6° | 175.0° |
| HN | N | CA | C | 58.2° | 63.9° |
| HN | N | CA | CB | 175.6° | 176.0° |
| HN | N | CA | HA | 55.1° | 56.0° |
| HNA | N | CA | C | 61.8° | 60.0° |
| HNA | N | CA | CB | 64.3° | 60.0° |
| HNA | N | CA | HA | 175.1° | 180.0° |
| C | CA | CB | HA | 115.4° | 120.0° |
| CA | C | O | OXT | 179.9° | 180.0° |
| CA | C | OXT | HXT | 179.9° | 179.9° |
| C | CA | CB | OG | 140.9° | 175.0° |
| C | CA | CB | HB | 99.1° | 65.0° |
| C | CA | CB | HBA | 20.3° | 55.0° |
| CB | CA | C | O | 67.1° | 100.0° |
| CB | CA | C | OXT | 112.8° | 80.0° |
| CA | CB | OG | HB | 120.0° | 119.9° |
| CA | CB | OG | HBA | 120.6° | 120.0° |
| CA | CB | HB | HBA | 120.7° | 120.0° |
| CA | CB | OG | C8 | 89.2° | 180.0° |
| HA | CA | C | O | 54.0° | 140.0° |
| HA | CA | C | OXT | 126.0° | 40.0° |
| HA | CA | CB | OG | 25.5° | 55.0° |
| HA | CA | CB | HB | 145.5° | 175.0° |
| HA | CA | CB | HBA | 95.1° | 65.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OG | CB | HB | HBA | 120.6° | 120.1° |
| CB | OG | C8 | C7 | 157.3° | 180.0° |
| CB | OG | C8 | O9 | 1.9° | 0.0° |
| HB | CB | OG | C8 | 30.8° | 60.0° |
| HBA | CB | OG | C8 | 150.2° | 60.0° |
| OG | C8 | C7 | C6 | 59.6° | 60.0° |
| OG | C8 | C7 | O9 | 158.9° | 180.0° |
| OG | C8 | C7 | N10 | 179.9° | 180.0° |
| OG | C8 | C7 | H7 | 60.2° | 60.0° |
| C6 | S1 | C2 | C3 | 41.9° | 55.5° |
| C6 | S1 | C2 | H2 | 78.1° | 63.8° |
| C6 | S1 | C2 | H2A | 160.6° | 174.9° |
| S1 | C6 | N5 | C4 | 33.9° | 23.2° |
| S1 | C6 | N5 | C7 | 123.2° | 120.2° |
| S1 | C6 | N5 | H6 | 117.0° | 120.3° |
| S1 | C6 | C7 | H6 | 116.9° | 119.5° |
| S1 | C6 | C7 | C8 | 166.7° | 64.1° |
| S1 | C6 | C7 | N10 | 49.6° | 175.9° |
| S1 | C6 | C7 | H7 | 70.3° | 55.9° |
| S1 | C2 | C3 | H2 | 120.0° | 119.3° |
| S1 | C2 | C3 | H2A | 118.7° | 119.3° |
| S1 | C2 | H2 | H2A | 118.8° | 121.3° |
| S1 | C2 | C3 | C4 | 3.7° | 42.0° |
| S1 | C2 | C3 | C3' | 179.9° | 138.0° |
| C2 | S1 | C6 | N5 | 57.7° | 47.2° |
| C2 | S1 | C6 | C7 | 178.1° | 167.5° |
| C2 | S1 | C6 | H6 | 62.3° | 73.1° |
| C3 | C2 | H2 | H2A | 118.8° | 121.4° |
| C2 | C3 | C4 | C3' | 176.2° | 180.0° |
| C2 | C3 | C3' | H3' | 1.9° | 8.1° |
| C2 | C3 | C3' | H3'A | 178.1° | 171.9° |
| C2 | C3 | C4 | N5 | 31.0° | 12.5° |
| C2 | C3 | C4 | C4' | 150.7° | 167.5° |
| H2 | C2 | C3 | C4 | 116.3° | 77.3° |
| H2 | C2 | C3 | C3' | 59.9° | 102.7° |
| H2A | C2 | C3 | C4 | 122.4° | 161.3° |
| H2A | C2 | C3 | C3' | 61.4° | 18.7° |
| C4 | C3 | C3' | H3' | 178.1° | 171.9° |
| C4 | C3 | C3' | H3'A | 1.9° | 8.2° |
| C3 | C4 | N5 | C4' | 178.3° | 180.0° |
| C3 | C4 | C4' | O4A | 118.9° | 7.1° |
| C3 | C4 | C4' | O4B | 64.4° | 172.9° |
| C3 | C4 | N5 | C6 | 14.5° | 1.1° |
| C3 | C3' | H3' | H3'A | 180.0° | 180.0° |
| C3' | C3 | C4 | N5 | 145.1° | 167.6° |
| C3' | C3 | C4 | C4' | 33.1° | 12.4° |
| N5 | C4 | C4' | O4A | 59.4° | 172.9° |
| N5 | C4 | C4' | O4B | 117.3° | 7.1° |
| C4 | N5 | C6 | C7 | 157.1° | 143.4° |
| C4 | N5 | C6 | H6 | 83.1° | 97.1° |
| C4 | C4' | O4A | O4B | 176.6° | 180.0° |
| C4 | C4' | O4B | HO4B | 176.5° | 180.0° |
| C4' | C4 | N5 | C6 | 167.2° | 178.9° |
| O4A | C4' | O4B | HO4B | 0.0° | 0.0° |
| N5 | C6 | C7 | H6 | 120.1° | 119.6° |
| N5 | C6 | C7 | C8 | 43.8° | 175.0° |
| N5 | C6 | C7 | N10 | 73.3° | 55.0° |
| N5 | C6 | C7 | H7 | 166.8° | 65.0° |
| C6 | C7 | C8 | N10 | 120.5° | 120.0° |
| C6 | C7 | C8 | H7 | 119.8° | 120.0° |
| C6 | C7 | N10 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | O9 | 99.3° | 120.0° |
| C6 | C7 | N10 | C11 | 100.0° | 85.0° |
| C6 | C7 | N10 | HN10 | 80.0° | 95.0° |
| H6 | C6 | C7 | C8 | 76.4° | 55.4° |
| H6 | C6 | C7 | N10 | 166.5° | 64.6° |
| H6 | C6 | C7 | H7 | 46.7° | 175.4° |
| C8 | C7 | N10 | H7 | 123.1° | 120.0° |
| C8 | C7 | N10 | C11 | 143.0° | 155.0° |
| C8 | C7 | N10 | HN10 | 37.0° | 25.0° |
| N10 | C7 | C8 | O9 | 21.2° | 0.0° |
| C7 | N10 | C11 | HN10 | 180.0° | 180.0° |
| C7 | N10 | C11 | C13 | 178.4° | 180.0° |
| C7 | N10 | C11 | O12 | 5.1° | 0.0° |
| H7 | C7 | C8 | O9 | 140.9° | 120.0° |
| H7 | C7 | N10 | C11 | 19.9° | 35.0° |
| H7 | C7 | N10 | HN10 | 160.1° | 145.0° |
| N10 | C11 | C13 | O12 | 176.6° | 180.0° |
| N10 | C11 | C13 | C14 | 106.1° | 180.0° |
| N10 | C11 | C13 | H13 | 133.9° | 60.0° |
| N10 | C11 | C13 | H13A | 10.1° | 60.0° |
| HN10 | N10 | C11 | C13 | 1.6° | 0.0° |
| HN10 | N10 | C11 | O12 | 175.0° | 180.0° |
| C11 | C13 | C14 | H13 | 120.0° | 120.0° |
| C11 | C13 | C14 | H13A | 116.2° | 120.0° |
| C11 | C13 | H13 | H13A | 116.6° | 120.1° |
| C11 | C13 | C14 | S19 | 90.7° | 66.5° |
| C11 | C13 | C14 | C15 | 85.7° | 179.3° |
| C11 | C13 | C14 | H14 | 150.3° | 57.1° |
| O12 | C11 | C13 | C14 | 70.5° | 0.0° |
| O12 | C11 | C13 | H13 | 49.5° | 120.0° |
| O12 | C11 | C13 | H13A | 173.3° | 120.0° |
| C14 | C13 | H13 | H13A | 116.6° | 119.9° |
| C13 | C14 | S19 | C15 | 176.8° | 118.2° |
| C13 | C14 | S19 | H14 | 41.8° | 123.5° |
| C13 | C14 | C15 | H14 | 32.2° | 123.5° |
| C13 | C14 | C15 | C16 | 158.6° | 160.3° |
| C13 | C14 | C15 | H15 | 81.4° | 80.3° |
| C13 | C14 | C15 | H15A | 36.3° | 41.0° |
| C13 | C14 | S19 | C17 | 162.9° | 141.1° |
| H13 | C13 | C14 | S19 | 29.3° | 173.5° |
| H13 | C13 | C14 | C15 | 154.3° | 60.7° |
| H13 | C13 | C14 | H14 | 89.7° | 62.9° |
| H13A | C13 | C14 | S19 | 153.1° | 53.6° |
| H13A | C13 | C14 | C15 | 30.4° | 59.2° |
| H13A | C13 | C14 | H14 | 34.1° | 177.1° |
| S19 | C14 | C15 | H14 | 151.1° | 118.3° |
| S19 | C14 | C15 | C16 | 18.1° | 42.1° |
| S19 | C14 | C15 | H15 | 101.9° | 161.5° |
| S19 | C14 | C15 | H15A | 140.4° | 77.2° |
| C14 | S19 | C17 | C16 | 3.8° | 2.3° |
| C14 | S19 | C17 | H17 | 123.8° | 121.1° |
| C14 | S19 | C17 | H17A | 116.1° | 116.6° |
| C14 | C15 | C16 | H15 | 120.0° | 119.4° |
| C14 | C15 | C16 | H15A | 122.3° | 119.4° |
| C14 | C15 | H15 | H15A | 122.5° | 121.3° |
| C14 | C15 | C16 | C17 | 15.7° | 47.3° |
| C14 | C15 | C16 | H16 | 135.7° | 72.7° |
| C14 | C15 | C16 | H16A | 100.9° | 167.1° |
| C15 | C14 | S19 | C17 | 13.8° | 22.9° |
| H14 | C14 | C15 | C16 | 169.2° | 76.2° |
| H14 | C14 | C15 | H15 | 49.2° | 43.2° |
| H14 | C14 | C15 | H15A | 68.5° | 164.5° |
| H14 | C14 | S19 | C17 | 155.3° | 95.5° |
| C16 | C15 | H15 | H15A | 122.5° | 121.2° |
| C15 | C16 | C17 | H16 | 120.0° | 119.9° |
| C15 | C16 | C17 | H16A | 116.6° | 119.9° |
| C15 | C16 | H16 | H16A | 116.9° | 120.2° |
| C15 | C16 | C17 | S19 | 6.7° | 28.0° |
| C15 | C16 | C17 | H17 | 113.3° | 146.7° |
| C15 | C16 | C17 | H17A | 126.6° | 91.0° |
| H15 | C15 | C16 | C17 | 104.3° | 166.7° |
| H15 | C15 | C16 | H16 | 15.7° | 46.7° |
| H15 | C15 | C16 | H16A | 139.1° | 73.5° |
| H15A | C15 | C16 | C17 | 137.9° | 72.1° |
| H15A | C15 | C16 | H16 | 102.0° | 168.0° |
| H15A | C15 | C16 | H16A | 21.4° | 47.8° |
| C17 | C16 | H16 | H16A | 116.9° | 120.3° |
| C16 | C17 | S19 | H17 | 120.0° | 118.8° |
| C16 | C17 | S19 | H17A | 119.9° | 118.9° |
| C16 | C17 | H17 | H17A | 119.9° | 122.4° |
| H16 | C16 | C17 | S19 | 126.7° | 91.9° |
| H16 | C16 | C17 | H17 | 6.7° | 26.8° |
| H16 | C16 | C17 | H17A | 113.4° | 149.1° |
| H16A | C16 | C17 | S19 | 109.8° | 147.9° |
| H16A | C16 | C17 | H17 | 130.2° | 93.4° |
| H16A | C16 | C17 | H17A | 10.1° | 28.9° |
| S19 | C17 | H17 | H17A | 119.9° | 122.4° |
