CE0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB | OG | sing | 1.45Å | 1.43Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| C8 | OG | sing | 1.34Å | 1.40Å | |
| C6 | S1 | sing | 1.82Å | 1.81Å | |
| S1 | C2 | sing | 1.82Å | 1.79Å | |
| C3 | C2 | sing | 1.50Å | 1.42Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C4 | C3 | doub | 1.31Å | 1.50Å | |
| C3 | C3' | sing | 1.51Å | 1.34Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C3' | H3'A | sing | 1.09Å | 1.10Å | |
| C3' | H3'B | sing | 1.09Å | 1.10Å | |
| N5 | C4 | sing | 1.39Å | 1.35Å | |
| C4' | C4 | sing | 1.47Å | 1.58Å | |
| O4A | C4' | doub | 1.22Å | 1.25Å | |
| O4B | C4' | sing | 1.35Å | 1.25Å | |
| O4B | HO4B | sing | 0.97Å | 0.95Å | |
| N5 | C6 | sing | 1.47Å | 1.48Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C7 | C6 | sing | 1.53Å | 1.61Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| N10 | C7 | sing | 1.46Å | 1.46Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O9 | C8 | doub | 1.21Å | 1.23Å | |
| N10 | C11 | sing | 1.35Å | 1.33Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C13 | C11 | sing | 1.51Å | 1.43Å | |
| C11 | O12 | doub | 1.21Å | 1.23Å | |
| N16 | C13 | sing | 1.47Å | 1.33Å | |
| C13 | C14 | sing | 1.53Å | 1.48Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| O17 | N16 | sing | 1.46Å | 1.44Å | |
| N16 | HN16 | sing | 1.01Å | 1.00Å | |
| C18 | O17 | sing | 1.43Å | 1.41Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| N19 | C14 | sing | 1.45Å | 1.37Å | |
| C14 | C15 | sing | 1.54Å | 1.43Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | S16 | sing | 1.82Å | 1.67Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | S16 | sing | 1.77Å | 1.68Å | |
| N19 | C17 | doub | 1.29Å | 1.33Å | |
| N18 | C17 | sing | 1.38Å | 1.40Å | |
| N18 | HN18 | sing | 0.97Å | 1.00Å | |
| N18 | HN1A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.4° | 111.0° |
| N | CA | C | 119.1° | 109.5° |
| N | CA | CB | 110.5° | 109.5° |
| N | CA | HA | 101.5° | 109.5° |
| HN | N | HNA | 109.5° | 111.1° |
| C | CA | CB | 108.8° | 109.5° |
| C | CA | HA | 103.3° | 109.5° |
| CA | C | O | 119.5° | 120.0° |
| CA | C | OXT | 118.3° | 120.0° |
| CB | CA | HA | 113.4° | 109.4° |
| CA | CB | OG | 110.8° | 109.5° |
| CA | CB | HB | 109.0° | 109.5° |
| CA | CB | HBA | 108.7° | 109.5° |
| O | C | OXT | 122.2° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| OG | CB | HB | 109.0° | 109.5° |
| OG | CB | HBA | 108.7° | 109.4° |
| CB | OG | C8 | 111.5° | 117.0° |
| HB | CB | HBA | 110.5° | 109.4° |
| OG | C8 | C7 | 117.5° | 120.0° |
| OG | C8 | O9 | 121.1° | 120.0° |
| C6 | S1 | C2 | 96.3° | 101.3° |
| S1 | C6 | N5 | 117.2° | 107.2° |
| S1 | C6 | C7 | 112.7° | 109.9° |
| S1 | C6 | H6 | 101.1° | 109.9° |
| S1 | C2 | C3 | 117.4° | 109.4° |
| S1 | C2 | H2 | 106.9° | 109.5° |
| S1 | C2 | H2A | 105.1° | 109.5° |
| C3 | C2 | H2 | 106.9° | 109.5° |
| C3 | C2 | H2A | 105.1° | 109.5° |
| C2 | C3 | C4 | 120.3° | 125.7° |
| C2 | C3 | C3' | 121.2° | 117.2° |
| H2 | C2 | H2A | 115.9° | 109.4° |
| C4 | C3 | C3' | 118.4° | 117.1° |
| C3 | C4 | N5 | 117.6° | 127.2° |
| C3 | C4 | C4' | 125.0° | 116.4° |
| C3 | C3' | H3' | 109.5° | 109.5° |
| C3 | C3' | H3'A | 109.5° | 109.5° |
| C3 | C3' | H3'B | 109.5° | 109.5° |
| H3' | C3' | H3'A | 109.4° | 109.5° |
| H3' | C3' | H3'B | 109.4° | 109.5° |
| H3'A | C3' | H3'B | 109.5° | 109.5° |
| N5 | C4 | C4' | 117.0° | 116.4° |
| C4 | N5 | C6 | 125.9° | 121.0° |
| C4 | N5 | HN5 | 104.3° | 119.5° |
| C4 | C4' | O4A | 117.6° | 120.0° |
| C4 | C4' | O4B | 119.3° | 120.0° |
| O4A | C4' | O4B | 123.1° | 120.0° |
| C4' | O4B | HO4B | 109.5° | 117.0° |
| C6 | N5 | HN5 | 104.3° | 119.5° |
| N5 | C6 | C7 | 108.8° | 109.9° |
| N5 | C6 | H6 | 105.6° | 109.9° |
| C7 | C6 | H6 | 110.9° | 110.0° |
| C6 | C7 | C8 | 107.6° | 109.5° |
| C6 | C7 | N10 | 111.1° | 109.5° |
| C6 | C7 | H7 | 110.4° | 109.4° |
| C8 | C7 | N10 | 111.7° | 109.5° |
| C8 | C7 | H7 | 109.8° | 109.5° |
| C7 | C8 | O9 | 121.2° | 120.0° |
| N10 | C7 | H7 | 106.2° | 109.5° |
| C7 | N10 | C11 | 121.3° | 120.0° |
| C7 | N10 | HN10 | 119.3° | 120.0° |
| C11 | N10 | HN10 | 119.4° | 120.0° |
| N10 | C11 | C13 | 112.2° | 120.0° |
| N10 | C11 | O12 | 122.0° | 120.0° |
| C13 | C11 | O12 | 125.8° | 120.0° |
| C11 | C13 | N16 | 123.9° | 109.5° |
| C11 | C13 | C14 | 123.7° | 109.5° |
| C11 | C13 | H13 | 12.3° | 109.5° |
| N16 | C13 | C14 | 112.3° | 109.5° |
| N16 | C13 | H13 | 122.5° | 109.5° |
| C13 | N16 | O17 | 111.6° | 111.0° |
| C13 | N16 | HN16 | 108.8° | 111.0° |
| C14 | C13 | H13 | 123.8° | 109.5° |
| C13 | C14 | N19 | 129.7° | 109.1° |
| C13 | C14 | C15 | 124.3° | 109.2° |
| C13 | C14 | H14 | 21.6° | 109.1° |
| O17 | N16 | HN16 | 108.8° | 111.1° |
| N16 | O17 | C18 | 107.1° | 114.0° |
| O17 | C18 | H18 | 109.5° | 109.5° |
| O17 | C18 | H18A | 109.5° | 109.5° |
| O17 | C18 | H18B | 109.4° | 109.5° |
| H18 | C18 | H18A | 109.4° | 109.4° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.4° |
| N19 | C14 | C15 | 105.9° | 111.2° |
| N19 | C14 | H14 | 113.5° | 109.0° |
| C14 | N19 | C17 | 117.1° | 119.9° |
| C15 | C14 | H14 | 138.4° | 109.1° |
| C14 | C15 | S16 | 112.5° | 103.3° |
| C14 | C15 | H15 | 108.5° | 110.7° |
| C14 | C15 | H15A | 107.8° | 110.6° |
| S16 | C15 | H15 | 108.5° | 110.7° |
| S16 | C15 | H15A | 107.8° | 110.6° |
| C15 | S16 | C17 | 91.2° | 95.7° |
| H15 | C15 | H15A | 111.9° | 110.7° |
| S16 | C17 | N19 | 111.2° | 109.9° |
| S16 | C17 | N18 | 124.6° | 125.1° |
| N19 | C17 | N18 | 124.2° | 125.0° |
| C17 | N18 | HN18 | 105.5° | 120.0° |
| C17 | N18 | HN1A | 127.2° | 120.1° |
| HN18 | N18 | HN1A | 127.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN | HNA | 120.0° | 123.9° |
| N | CA | C | CB | 127.7° | 120.0° |
| N | CA | C | HA | 111.5° | 120.0° |
| N | CA | CB | HA | 113.1° | 120.0° |
| N | CA | C | O | 167.6° | 20.0° |
| N | CA | C | OXT | 14.7° | 160.0° |
| N | CA | CB | OG | 81.3° | 65.0° |
| N | CA | CB | HB | 38.7° | 55.0° |
| N | CA | CB | HBA | 159.2° | 175.0° |
| HN | N | CA | C | 58.9° | 64.0° |
| HN | N | CA | CB | 174.1° | 176.0° |
| HN | N | CA | HA | 53.6° | 56.1° |
| HNA | N | CA | C | 61.1° | 60.0° |
| HNA | N | CA | CB | 65.9° | 60.0° |
| HNA | N | CA | HA | 173.6° | 179.9° |
| C | CA | CB | HA | 114.4° | 120.0° |
| CA | C | O | OXT | 177.6° | 179.9° |
| CA | C | OXT | HXT | 177.6° | 180.0° |
| C | CA | CB | OG | 146.2° | 175.0° |
| C | CA | CB | HB | 93.8° | 65.0° |
| C | CA | CB | HBA | 26.7° | 55.0° |
| CB | CA | C | O | 64.6° | 100.0° |
| CB | CA | C | OXT | 113.0° | 80.0° |
| CA | CB | OG | HB | 120.0° | 120.0° |
| CA | CB | OG | HBA | 119.4° | 120.0° |
| CA | CB | HB | HBA | 119.4° | 120.0° |
| CA | CB | OG | C8 | 101.7° | 180.0° |
| HA | CA | C | O | 56.2° | 140.0° |
| HA | CA | C | OXT | 126.2° | 39.9° |
| HA | CA | CB | OG | 31.8° | 55.0° |
| HA | CA | CB | HB | 151.8° | 175.0° |
| HA | CA | CB | HBA | 87.7° | 65.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OG | CB | HB | HBA | 119.5° | 119.9° |
| CB | OG | C8 | C7 | 155.6° | 180.0° |
| CB | OG | C8 | O9 | 29.9° | 0.0° |
| HB | CB | OG | C8 | 18.2° | 59.9° |
| HBA | CB | OG | C8 | 138.8° | 60.0° |
| OG | C8 | C7 | C6 | 58.2° | 60.0° |
| OG | C8 | C7 | O9 | 174.5° | 180.0° |
| OG | C8 | C7 | N10 | 179.6° | 180.0° |
| OG | C8 | C7 | H7 | 62.1° | 60.0° |
| C6 | S1 | C2 | C3 | 52.0° | 45.1° |
| C6 | S1 | C2 | H2 | 68.0° | 74.8° |
| C6 | S1 | C2 | H2A | 168.3° | 165.2° |
| S1 | C6 | N5 | C4 | 4.6° | 44.7° |
| S1 | C6 | N5 | C7 | 129.3° | 119.4° |
| S1 | C6 | N5 | H6 | 111.6° | 119.4° |
| S1 | C6 | N5 | HN5 | 115.4° | 135.3° |
| S1 | C6 | C7 | H6 | 112.5° | 121.1° |
| S1 | C6 | C7 | C8 | 176.9° | 57.7° |
| S1 | C6 | C7 | N10 | 54.3° | 62.3° |
| S1 | C6 | C7 | H7 | 63.3° | 177.7° |
| S1 | C2 | C3 | H2 | 120.0° | 120.0° |
| S1 | C2 | C3 | H2A | 116.3° | 120.1° |
| S1 | C2 | H2 | H2A | 116.8° | 120.1° |
| S1 | C2 | C3 | C4 | 36.6° | 21.2° |
| S1 | C2 | C3 | C3' | 145.7° | 158.7° |
| C2 | S1 | C6 | N5 | 32.4° | 56.2° |
| C2 | S1 | C6 | C7 | 159.8° | 175.6° |
| C2 | S1 | C6 | H6 | 81.8° | 63.2° |
| C3 | C2 | H2 | H2A | 116.7° | 120.0° |
| C2 | C3 | C4 | C3' | 177.7° | 180.0° |
| C2 | C3 | C3' | H3' | 133.8° | 0.0° |
| C2 | C3 | C3' | H3'A | 106.2° | 120.0° |
| C2 | C3 | C3' | H3'B | 13.8° | 120.0° |
| C2 | C3 | C4 | N5 | 9.5° | 0.9° |
| C2 | C3 | C4 | C4' | 177.3° | 179.2° |
| H2 | C2 | C3 | C4 | 83.4° | 98.7° |
| H2 | C2 | C3 | C3' | 94.3° | 81.3° |
| H2A | C2 | C3 | C4 | 153.0° | 141.3° |
| H2A | C2 | C3 | C3' | 29.4° | 38.7° |
| C4 | C3 | C3' | H3' | 48.5° | 180.0° |
| C4 | C3 | C3' | H3'A | 71.5° | 60.0° |
| C4 | C3 | C3' | H3'B | 168.5° | 60.0° |
| C3 | C4 | N5 | C4' | 173.8° | 180.0° |
| C3 | C4 | C4' | O4A | 121.4° | 5.8° |
| C3 | C4 | C4' | O4B | 59.1° | 174.2° |
| C3 | C4 | N5 | C6 | 31.5° | 14.8° |
| C3 | C4 | N5 | HN5 | 88.5° | 165.2° |
| C3 | C3' | H3' | H3'A | 120.0° | 120.0° |
| C3 | C3' | H3' | H3'B | 120.0° | 120.0° |
| C3 | C3' | H3'A | H3'B | 120.0° | 120.0° |
| C3' | C3 | C4 | N5 | 168.3° | 179.1° |
| C3' | C3 | C4 | C4' | 5.0° | 0.9° |
| H3' | C3' | H3'A | H3'B | 120.0° | 120.0° |
| N5 | C4 | C4' | O4A | 51.9° | 174.2° |
| N5 | C4 | C4' | O4B | 127.6° | 5.8° |
| C4 | N5 | C6 | HN5 | 120.0° | 180.0° |
| C4 | N5 | C6 | C7 | 124.6° | 164.1° |
| C4 | N5 | C6 | H6 | 116.3° | 74.7° |
| C4 | C4' | O4A | O4B | 179.5° | 179.9° |
| C4 | C4' | O4B | HO4B | 179.5° | 180.0° |
| C4' | C4 | N5 | C6 | 154.7° | 165.2° |
| C4' | C4 | N5 | HN5 | 85.3° | 14.8° |
| O4A | C4' | O4B | HO4B | 0.0° | 0.1° |
| N5 | C6 | C7 | H6 | 115.8° | 121.2° |
| N5 | C6 | C7 | C8 | 45.2° | 60.0° |
| N5 | C6 | C7 | N10 | 77.4° | 180.0° |
| N5 | C6 | C7 | H7 | 165.0° | 60.0° |
| HN5 | N5 | C6 | C7 | 115.4° | 15.9° |
| HN5 | N5 | C6 | H6 | 3.7° | 105.3° |
| C6 | C7 | C8 | N10 | 122.3° | 120.0° |
| C6 | C7 | C8 | H7 | 120.2° | 119.9° |
| C6 | C7 | N10 | H7 | 120.1° | 120.0° |
| C6 | C7 | C8 | O9 | 127.4° | 120.0° |
| C6 | C7 | N10 | C11 | 100.1° | 85.0° |
| C6 | C7 | N10 | HN10 | 79.9° | 95.0° |
| H6 | C6 | C7 | C8 | 70.6° | 178.9° |
| H6 | C6 | C7 | N10 | 166.8° | 58.9° |
| H6 | C6 | C7 | H7 | 49.2° | 61.2° |
| C8 | C7 | N10 | H7 | 119.7° | 120.0° |
| C8 | C7 | N10 | C11 | 139.7° | 155.0° |
| C8 | C7 | N10 | HN10 | 40.3° | 25.0° |
| N10 | C7 | C8 | O9 | 5.1° | 0.0° |
| C7 | N10 | C11 | HN10 | 180.0° | 180.0° |
| C7 | N10 | C11 | C13 | 168.6° | 180.0° |
| C7 | N10 | C11 | O12 | 12.8° | 0.0° |
| H7 | C7 | C8 | O9 | 112.4° | 120.1° |
| H7 | C7 | N10 | C11 | 20.0° | 35.0° |
| H7 | C7 | N10 | HN10 | 160.0° | 145.0° |
| N10 | C11 | C13 | O12 | 178.5° | 180.0° |
| N10 | C11 | C13 | N16 | 128.1° | 160.0° |
| N10 | C11 | C13 | C14 | 53.6° | 80.0° |
| N10 | C11 | C13 | H13 | 40.7° | 40.0° |
| HN10 | N10 | C11 | C13 | 11.4° | 0.0° |
| HN10 | N10 | C11 | O12 | 167.2° | 180.0° |
| C11 | C13 | N16 | C14 | 178.5° | 120.0° |
| C11 | C13 | N16 | H13 | 14.6° | 120.0° |
| C11 | C13 | C14 | H13 | 14.8° | 120.0° |
| C11 | C13 | N16 | O17 | 25.6° | 60.0° |
| C11 | C13 | N16 | HN16 | 145.6° | 64.0° |
| C11 | C13 | C14 | N19 | 156.6° | 58.2° |
| C11 | C13 | C14 | C15 | 27.4° | 180.0° |
| C11 | C13 | C14 | H14 | 110.0° | 60.8° |
| O12 | C11 | C13 | N16 | 50.5° | 20.0° |
| O12 | C11 | C13 | C14 | 127.8° | 100.0° |
| O12 | C11 | C13 | H13 | 137.9° | 140.0° |
| N16 | C13 | C14 | H13 | 166.7° | 120.0° |
| C13 | N16 | O17 | HN16 | 120.0° | 124.0° |
| C13 | N16 | O17 | C18 | 167.8° | 180.0° |
| N16 | C13 | C14 | N19 | 24.9° | 178.2° |
| N16 | C13 | C14 | C15 | 151.0° | 60.0° |
| N16 | C13 | C14 | H14 | 71.5° | 59.2° |
| C14 | C13 | N16 | O17 | 155.9° | 59.9° |
| C14 | C13 | N16 | HN16 | 35.9° | 176.0° |
| C13 | C14 | N19 | C15 | 176.5° | 120.5° |
| C13 | C14 | N19 | H14 | 17.0° | 119.1° |
| C13 | C14 | C15 | H14 | 22.1° | 119.2° |
| C13 | C14 | C15 | S16 | 167.7° | 120.4° |
| C13 | C14 | C15 | H15 | 47.7° | 121.1° |
| C13 | C14 | C15 | H15A | 73.6° | 2.0° |
| C13 | C14 | N19 | C17 | 171.0° | 120.5° |
| H13 | C13 | N16 | O17 | 11.0° | 180.0° |
| H13 | C13 | N16 | HN16 | 131.0° | 56.0° |
| H13 | C13 | C14 | N19 | 141.8° | 61.7° |
| H13 | C13 | C14 | C15 | 42.3° | 60.0° |
| H13 | C13 | C14 | H14 | 95.2° | 179.2° |
| N16 | O17 | C18 | H18 | 179.1° | 60.1° |
| N16 | O17 | C18 | H18A | 60.9° | 180.0° |
| N16 | O17 | C18 | H18B | 59.1° | 60.0° |
| HN16 | N16 | O17 | C18 | 47.9° | 56.0° |
| O17 | C18 | H18 | H18A | 120.0° | 120.0° |
| O17 | C18 | H18 | H18B | 120.0° | 120.1° |
| O17 | C18 | H18A | H18B | 120.0° | 120.0° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| N19 | C14 | C15 | H14 | 161.2° | 120.3° |
| N19 | C14 | C15 | S16 | 15.5° | 0.0° |
| N19 | C14 | C15 | H15 | 135.6° | 118.5° |
| N19 | C14 | C15 | H15A | 103.2° | 118.4° |
| C14 | N19 | C17 | S16 | 4.1° | 0.0° |
| C14 | N19 | C17 | N18 | 175.2° | 180.0° |
| C14 | C15 | S16 | H15 | 120.0° | 118.5° |
| C14 | C15 | S16 | H15A | 118.7° | 118.4° |
| C14 | C15 | H15 | H15A | 118.8° | 123.1° |
| C14 | C15 | S16 | C17 | 12.0° | 0.0° |
| C15 | C14 | N19 | C17 | 12.4° | 0.0° |
| H14 | C14 | C15 | S16 | 145.6° | 120.4° |
| H14 | C14 | C15 | H15 | 25.6° | 1.9° |
| H14 | C14 | C15 | H15A | 95.7° | 121.2° |
| H14 | C14 | N19 | C17 | 154.0° | 120.4° |
| S16 | C15 | H15 | H15A | 118.7° | 123.1° |
| C15 | S16 | C17 | N19 | 4.7° | 0.0° |
| C15 | S16 | C17 | N18 | 175.9° | 180.0° |
| H15 | C15 | S16 | C17 | 132.0° | 118.4° |
| H15A | C15 | S16 | C17 | 106.7° | 118.4° |
| S16 | C17 | N19 | N18 | 179.4° | 180.0° |
| S16 | C17 | N18 | HN18 | 0.4° | 0.1° |
| S16 | C17 | N18 | HN1A | 179.7° | 180.0° |
| N19 | C17 | N18 | HN18 | 179.7° | 179.9° |
| N19 | C17 | N18 | HN1A | 0.4° | 0.0° |
| C17 | N18 | HN18 | HN1A | 180.0° | 179.9° |
