0Y0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | doub | 1.21Å | 1.31Å | |
| C | CA | sing | 1.51Å | 1.48Å | |
| C | O | sing | 1.34Å | 1.28Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CB | CAS | sing | 1.53Å | 1.52Å | |
| CAS | NAR | sing | 1.47Å | 1.44Å | |
| NAR | CAF | sing | 1.47Å | 1.47Å | |
| CAF | CAA | sing | 1.53Å | 1.44Å | |
| CAB | CAA | sing | 1.54Å | 1.50Å | |
| CAB | OAH | sing | 1.43Å | 1.36Å | |
| CAB | CAC | sing | 1.55Å | 1.48Å | |
| CAA | OAE | sing | 1.44Å | 1.43Å | |
| CAC | OAI | sing | 1.43Å | 1.39Å | |
| CAC | CAD | sing | 1.55Å | 1.49Å | |
| OAE | CAD | sing | 1.44Å | 1.44Å | |
| CAD | N9 | sing | 1.47Å | 1.45Å | |
| C8 | N9 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.35Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.34Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.37Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.48Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CAS | H8 | sing | 1.09Å | 1.10Å | |
| CAS | H9 | sing | 1.09Å | 1.10Å | |
| NAR | H10 | sing | 1.01Å | 1.00Å | |
| CAF | H12 | sing | 1.09Å | 1.10Å | |
| CAF | H13 | sing | 1.09Å | 1.10Å | |
| CAA | H14 | sing | 1.09Å | 1.10Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å | |
| OAH | H16 | sing | 0.97Å | 0.95Å | |
| CAC | H17 | sing | 1.09Å | 1.10Å | |
| OAI | H18 | sing | 0.97Å | 0.95Å | |
| CAD | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| N6 | H22 | sing | 0.97Å | 1.00Å | |
| N6 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | CA | 119.4° | 120.0° |
| OXT | C | O | 118.5° | 120.0° |
| CA | C | O | 122.1° | 120.0° |
| C | CA | N | 113.9° | 109.5° |
| C | CA | CB | 105.8° | 109.5° |
| C | CA | H2 | 109.2° | 109.5° |
| C | O | H1 | 109.5° | 117.0° |
| N | CA | CB | 110.1° | 109.4° |
| N | CA | H2 | 109.4° | 109.5° |
| CA | N | H3 | 109.5° | 111.0° |
| CA | N | H4 | 109.5° | 111.0° |
| CA | CB | CAS | 117.3° | 109.5° |
| CB | CA | H2 | 108.3° | 109.5° |
| CA | CB | H6 | 107.5° | 109.5° |
| CA | CB | H7 | 107.5° | 109.5° |
| CB | CAS | NAR | 118.3° | 109.5° |
| CAS | CB | H6 | 107.5° | 109.5° |
| CAS | CB | H7 | 107.5° | 109.4° |
| CB | CAS | H8 | 107.2° | 109.5° |
| CB | CAS | H9 | 107.2° | 109.4° |
| CAS | NAR | CAF | 111.0° | 111.0° |
| NAR | CAS | H8 | 107.2° | 109.5° |
| NAR | CAS | H9 | 107.2° | 109.4° |
| CAS | NAR | H10 | 109.1° | 111.0° |
| NAR | CAF | CAA | 119.0° | 109.5° |
| CAF | NAR | H10 | 109.1° | 111.0° |
| NAR | CAF | H12 | 107.0° | 109.5° |
| NAR | CAF | H13 | 107.0° | 109.5° |
| CAF | CAA | CAB | 115.8° | 109.9° |
| CAF | CAA | OAE | 103.9° | 109.8° |
| CAA | CAF | H12 | 107.1° | 109.5° |
| CAA | CAF | H13 | 107.0° | 109.4° |
| CAF | CAA | H14 | 110.7° | 109.8° |
| CAA | CAB | OAH | 109.7° | 110.5° |
| CAA | CAB | CAC | 107.7° | 104.2° |
| CAB | CAA | OAE | 105.3° | 107.3° |
| CAB | CAA | H14 | 109.9° | 110.1° |
| CAA | CAB | H15 | 108.9° | 110.5° |
| OAH | CAB | CAC | 110.4° | 110.5° |
| OAH | CAB | H15 | 111.0° | 110.4° |
| CAB | OAH | H16 | 109.5° | 114.0° |
| CAB | CAC | OAI | 112.5° | 110.9° |
| CAB | CAC | CAD | 100.9° | 102.1° |
| CAC | CAB | H15 | 109.1° | 110.6° |
| CAB | CAC | H17 | 109.7° | 111.0° |
| CAA | OAE | CAD | 107.8° | 107.0° |
| OAE | CAA | H14 | 110.9° | 109.8° |
| OAI | CAC | CAD | 112.6° | 110.9° |
| OAI | CAC | H17 | 111.1° | 110.8° |
| CAC | OAI | H18 | 109.5° | 114.0° |
| CAC | CAD | OAE | 105.6° | 103.5° |
| CAC | CAD | N9 | 119.5° | 110.6° |
| CAD | CAC | H17 | 109.6° | 110.9° |
| CAC | CAD | H19 | 108.6° | 110.6° |
| OAE | CAD | N9 | 104.3° | 110.6° |
| OAE | CAD | H19 | 109.2° | 110.7° |
| CAD | N9 | C8 | 128.5° | 126.2° |
| CAD | N9 | C4 | 121.6° | 126.3° |
| N9 | CAD | H19 | 109.1° | 110.7° |
| N9 | C8 | N7 | 107.8° | 109.9° |
| C8 | N9 | C4 | 109.6° | 107.5° |
| N9 | C8 | H20 | 126.1° | 125.0° |
| C8 | N7 | C5 | 109.0° | 109.5° |
| N7 | C8 | H20 | 126.1° | 125.1° |
| N9 | C4 | N3 | 135.2° | 134.9° |
| N9 | C4 | C5 | 105.5° | 106.0° |
| N7 | C5 | C4 | 108.1° | 107.1° |
| N7 | C5 | C6 | 133.2° | 134.7° |
| N3 | C4 | C5 | 119.3° | 119.1° |
| C4 | N3 | C2 | 120.6° | 120.6° |
| C4 | C5 | C6 | 118.7° | 118.1° |
| N3 | C2 | N1 | 121.1° | 122.4° |
| N3 | C2 | H21 | 119.4° | 118.8° |
| C5 | C6 | N1 | 120.3° | 118.5° |
| C5 | C6 | N6 | 118.0° | 120.8° |
| C2 | N1 | C6 | 120.0° | 121.2° |
| N1 | C2 | H21 | 119.5° | 118.8° |
| N1 | C6 | N6 | 121.7° | 120.7° |
| C6 | N6 | H22 | 109.5° | 120.0° |
| C6 | N6 | H23 | 109.5° | 120.0° |
| H3 | N | H4 | 109.5° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H8 | CAS | H9 | 109.4° | 109.5° |
| H12 | CAF | H13 | 109.5° | 109.5° |
| H22 | N6 | H23 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | CA | O | 179.4° | 180.0° |
| OXT | C | CA | N | 156.9° | 20.0° |
| OXT | C | CA | CB | 82.0° | 100.0° |
| OXT | C | O | H1 | 0.0° | 0.0° |
| OXT | C | CA | H2 | 34.4° | 140.0° |
| C | CA | N | CB | 118.6° | 120.0° |
| C | CA | N | H2 | 122.5° | 120.0° |
| C | CA | CB | H2 | 117.0° | 120.0° |
| C | CA | CB | CAS | 74.9° | 175.0° |
| CA | C | O | H1 | 179.4° | 179.9° |
| C | CA | N | H3 | 180.0° | 63.9° |
| C | CA | N | H4 | 60.0° | 60.0° |
| C | CA | CB | H6 | 46.2° | 65.0° |
| C | CA | CB | H7 | 163.9° | 55.0° |
| O | C | CA | N | 23.7° | 160.0° |
| O | C | CA | CB | 97.4° | 80.0° |
| O | C | CA | H2 | 146.3° | 40.0° |
| N | CA | CB | H2 | 119.6° | 120.0° |
| N | CA | CB | CAS | 48.5° | 65.0° |
| CA | N | H3 | H4 | 120.0° | 124.0° |
| N | CA | CB | H6 | 169.6° | 55.0° |
| N | CA | CB | H7 | 72.7° | 175.0° |
| CA | CB | CAS | H6 | 121.1° | 120.0° |
| CA | CB | CAS | H7 | 121.2° | 120.0° |
| CA | CB | CAS | NAR | 155.8° | 180.0° |
| CB | CA | N | H3 | 61.4° | 176.1° |
| CB | CA | N | H4 | 178.6° | 60.0° |
| CA | CB | H6 | H7 | 116.4° | 120.0° |
| CA | CB | CAS | H8 | 82.9° | 60.0° |
| CA | CB | CAS | H9 | 34.6° | 60.1° |
| CB | CAS | NAR | H8 | 121.3° | 120.0° |
| CB | CAS | NAR | H9 | 121.3° | 119.9° |
| CB | CAS | NAR | CAF | 176.6° | 180.0° |
| CAS | CB | CA | H2 | 168.1° | 55.0° |
| CAS | CB | H6 | H7 | 116.4° | 120.0° |
| CB | CAS | H8 | H9 | 116.0° | 120.0° |
| CB | CAS | NAR | H10 | 63.2° | 56.0° |
| CAS | NAR | CAF | H10 | 120.2° | 123.9° |
| CAS | NAR | CAF | CAA | 157.4° | 180.0° |
| NAR | CAS | CB | H6 | 34.7° | 60.0° |
| NAR | CAS | CB | H7 | 83.0° | 60.0° |
| NAR | CAS | H8 | H9 | 116.0° | 120.0° |
| CAS | NAR | CAF | H12 | 36.0° | 60.0° |
| CAS | NAR | CAF | H13 | 81.3° | 60.0° |
| NAR | CAF | CAA | H12 | 121.3° | 120.0° |
| NAR | CAF | CAA | H13 | 121.3° | 120.0° |
| NAR | CAF | CAA | CAB | 60.4° | 175.7° |
| NAR | CAF | CAA | OAE | 175.3° | 66.4° |
| CAF | NAR | CAS | H8 | 55.3° | 60.0° |
| CAF | NAR | CAS | H9 | 62.1° | 60.1° |
| NAR | CAF | H12 | H13 | 115.7° | 120.0° |
| NAR | CAF | CAA | H14 | 65.6° | 54.5° |
| CAF | CAA | CAB | OAE | 114.1° | 119.4° |
| CAF | CAA | CAB | H14 | 126.4° | 121.1° |
| CAF | CAA | CAB | OAH | 134.9° | 119.9° |
| CAF | CAA | CAB | CAC | 104.9° | 121.4° |
| CAF | CAA | OAE | H14 | 119.0° | 120.9° |
| CAF | CAA | OAE | CAD | 136.0° | 146.0° |
| CAA | CAF | NAR | H10 | 82.4° | 56.1° |
| CAA | CAF | H12 | H13 | 115.7° | 119.9° |
| CAF | CAA | CAB | H15 | 13.3° | 2.6° |
| CAA | CAB | OAH | CAC | 118.5° | 114.8° |
| CAA | CAB | OAH | H15 | 120.3° | 122.5° |
| CAA | CAB | CAC | H15 | 118.1° | 118.7° |
| CAB | CAA | OAE | H14 | 118.8° | 119.6° |
| CAA | CAB | CAC | OAI | 147.4° | 139.1° |
| CAA | CAB | CAC | CAD | 27.2° | 20.9° |
| CAB | CAA | OAE | CAD | 13.8° | 26.5° |
| CAB | CAA | CAF | H12 | 178.3° | 64.2° |
| CAB | CAA | CAF | H13 | 60.9° | 55.7° |
| CAA | CAB | OAH | H16 | 180.0° | 180.0° |
| CAA | CAB | CAC | H17 | 88.4° | 97.3° |
| OAH | CAB | CAC | H15 | 122.2° | 122.6° |
| OAH | CAB | CAA | OAE | 111.0° | 120.7° |
| OAH | CAB | CAC | OAI | 27.7° | 20.4° |
| OAH | CAB | CAC | CAD | 92.5° | 97.8° |
| OAH | CAB | CAA | H14 | 8.5° | 1.2° |
| OAH | CAB | CAC | H17 | 151.9° | 144.0° |
| CAC | CAB | CAA | OAE | 9.2° | 2.0° |
| CAB | CAC | OAI | CAD | 113.3° | 112.7° |
| CAB | CAC | OAI | H17 | 123.4° | 123.7° |
| CAB | CAC | CAD | H17 | 115.6° | 118.3° |
| CAB | CAC | CAD | OAE | 35.6° | 37.0° |
| CAB | CAC | CAD | N9 | 152.5° | 155.5° |
| CAC | CAB | CAA | H14 | 128.7° | 117.5° |
| CAC | CAB | OAH | H16 | 61.5° | 65.2° |
| CAB | CAC | OAI | H18 | 180.0° | 61.4° |
| CAB | CAC | CAD | H19 | 81.5° | 81.5° |
| CAA | OAE | CAD | CAC | 31.8° | 40.1° |
| CAA | OAE | CAD | N9 | 158.6° | 158.5° |
| OAE | CAA | CAF | H12 | 63.4° | 53.6° |
| OAE | CAA | CAF | H13 | 53.9° | 173.6° |
| OAE | CAA | CAB | H15 | 127.4° | 116.8° |
| CAA | OAE | CAD | H19 | 84.9° | 78.4° |
| OAI | CAC | CAD | H17 | 124.2° | 123.5° |
| OAI | CAC | CAD | OAE | 155.8° | 155.2° |
| OAI | CAC | CAD | N9 | 87.3° | 86.3° |
| OAI | CAC | CAB | H15 | 94.5° | 102.2° |
| OAI | CAC | CAD | H19 | 38.7° | 36.7° |
| CAC | CAD | OAE | N9 | 126.8° | 118.5° |
| CAC | CAD | OAE | H19 | 116.7° | 118.5° |
| CAC | CAD | N9 | H19 | 125.8° | 122.9° |
| CAC | CAD | N9 | C8 | 28.9° | 90.2° |
| CAC | CAD | N9 | C4 | 158.3° | 89.5° |
| CAD | CAC | CAB | H15 | 145.2° | 139.6° |
| CAD | CAC | OAI | H18 | 66.7° | 174.2° |
| OAE | CAD | N9 | H19 | 116.6° | 123.0° |
| OAE | CAD | N9 | C8 | 88.7° | 23.8° |
| OAE | CAD | N9 | C4 | 84.1° | 156.5° |
| CAD | OAE | CAA | H14 | 105.0° | 93.1° |
| OAE | CAD | CAC | H17 | 80.0° | 81.2° |
| CAD | N9 | C8 | C4 | 173.5° | 179.7° |
| CAD | N9 | C8 | N7 | 176.2° | 180.0° |
| CAD | N9 | C4 | N3 | 5.7° | 0.0° |
| CAD | N9 | C4 | C5 | 176.5° | 179.8° |
| N9 | CAD | CAC | H17 | 36.9° | 37.3° |
| CAD | N9 | C8 | H20 | 3.8° | 0.1° |
| N9 | C8 | N7 | H20 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 1.8° | 0.0° |
| C8 | N9 | C4 | N3 | 179.7° | 179.7° |
| C8 | N9 | C4 | C5 | 2.5° | 0.4° |
| C8 | N9 | CAD | H19 | 154.6° | 146.9° |
| N7 | C8 | N9 | C4 | 2.7° | 0.3° |
| C8 | N7 | C5 | C4 | 0.3° | 0.3° |
| C8 | N7 | C5 | C6 | 179.7° | 179.9° |
| N9 | C4 | C5 | N7 | 1.3° | 0.4° |
| N9 | C4 | N3 | C5 | 177.6° | 179.8° |
| N9 | C4 | N3 | C2 | 177.5° | 180.0° |
| N9 | C4 | C5 | C6 | 178.7° | 179.8° |
| C4 | N9 | CAD | H19 | 32.6° | 33.5° |
| C4 | N9 | C8 | H20 | 177.3° | 179.8° |
| N7 | C5 | C4 | N3 | 179.6° | 179.7° |
| N7 | C5 | C4 | C6 | 180.0° | 179.7° |
| N7 | C5 | C6 | N1 | 179.7° | 179.3° |
| N7 | C5 | C6 | N6 | 0.1° | 0.1° |
| C5 | N7 | C8 | H20 | 178.1° | 179.9° |
| N3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C4 | N3 | C2 | N1 | 0.7° | 0.0° |
| C4 | N3 | C2 | H21 | 179.3° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.2° |
| C4 | C5 | C6 | N1 | 0.3° | 0.4° |
| C4 | C5 | C6 | N6 | 179.9° | 179.8° |
| N3 | C2 | N1 | H21 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.8° | 0.4° |
| C5 | C6 | N1 | C2 | 0.3° | 0.6° |
| C5 | C6 | N1 | N6 | 179.6° | 179.3° |
| C5 | C6 | N6 | H22 | 179.6° | 0.1° |
| C5 | C6 | N6 | H23 | 60.4° | 180.0° |
| C2 | N1 | C6 | N6 | 179.3° | 180.0° |
| C6 | N1 | C2 | H21 | 179.2° | 179.6° |
| N1 | C6 | N6 | H22 | 0.0° | 179.3° |
| N1 | C6 | N6 | H23 | 120.0° | 0.7° |
| C6 | N6 | H22 | H23 | 120.0° | 180.0° |
| H2 | CA | N | H3 | 57.5° | 56.1° |
| H2 | CA | N | H4 | 62.5° | 180.0° |
| H2 | CA | CB | H6 | 70.8° | 175.0° |
| H2 | CA | CB | H7 | 46.9° | 65.0° |
| H6 | CB | CAS | H8 | 156.0° | 180.0° |
| H6 | CB | CAS | H9 | 86.6° | 59.9° |
| H7 | CB | CAS | H8 | 38.3° | 60.0° |
| H7 | CB | CAS | H9 | 155.7° | 179.9° |
| H8 | CAS | NAR | H10 | 175.6° | 176.1° |
| H9 | CAS | NAR | H10 | 58.1° | 63.9° |
| H10 | NAR | CAF | H12 | 156.3° | 176.1° |
| H10 | NAR | CAF | H13 | 39.0° | 63.9° |
| H12 | CAF | CAA | H14 | 55.8° | 174.5° |
| H13 | CAF | CAA | H14 | 173.1° | 65.5° |
| H14 | CAA | CAB | H15 | 113.1° | 123.7° |
| H15 | CAB | OAH | H16 | 59.6° | 57.5° |
| H15 | CAB | CAC | H17 | 29.7° | 21.4° |
| H17 | CAC | OAI | H18 | 56.6° | 62.3° |
| H17 | CAC | CAD | H19 | 162.9° | 160.2° |
