SH2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAX | CAW | sing | 1.44Å | 1.44Å | |
| OAX | CAY | sing | 1.36Å | 1.37Å | |
| CAZ | CAY | doub | 1.39Å | 1.34Å | Aromatic |
| CAZ | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | OAV | sing | 1.44Å | 1.45Å | |
| CAY | CAU | sing | 1.39Å | 1.34Å | Aromatic |
| CAQ | CAR | sing | 1.51Å | 1.39Å | |
| CAQ | CAP | sing | 1.53Å | 1.54Å | |
| CAR | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | OAV | sing | 1.36Å | 1.36Å | |
| CAU | CAT | doub | 1.39Å | 1.34Å | Aromatic |
| CAS | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | NAO | sing | 1.47Å | 1.49Å | |
| NAO | CAM | sing | 1.35Å | 1.35Å | |
| OAN | CAM | doub | 1.21Å | 1.23Å | |
| CAM | CAL | sing | 1.51Å | 1.54Å | |
| OAI | CAH | doub | 1.21Å | 1.23Å | |
| NAJ | CAH | sing | 1.35Å | 1.34Å | |
| NAJ | CAK | sing | 1.46Å | 1.47Å | |
| CAH | CAF | sing | 1.51Å | 1.55Å | |
| CAL | CAK | sing | 1.53Å | 1.52Å | |
| CAC | CAB | sing | 1.53Å | 1.53Å | |
| CAA | CAB | sing | 1.53Å | 1.54Å | |
| CAF | CAB | sing | 1.53Å | 1.56Å | |
| CAF | OAG | sing | 1.43Å | 1.44Å | |
| CAB | CAD | sing | 1.53Å | 1.53Å | |
| CAD | OAE | sing | 1.43Å | 1.42Å | |
| CAZ | H1 | sing | 1.08Å | 1.08Å | |
| CAW | H2 | sing | 1.09Å | 1.10Å | |
| CAT | H3 | sing | 1.08Å | 1.08Å | |
| CAS | H4 | sing | 1.08Å | 1.08Å | |
| CAQ | H5 | sing | 1.09Å | 1.10Å | |
| CAQ | H6 | sing | 1.09Å | 1.10Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| CAP | H8 | sing | 1.09Å | 1.10Å | |
| NAO | H9 | sing | 0.97Å | 1.00Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAK | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| NAJ | H14 | sing | 0.97Å | 1.00Å | |
| CAF | H15 | sing | 1.09Å | 1.10Å | |
| OAG | H16 | sing | 0.97Å | 0.95Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAC | H20 | sing | 1.09Å | 1.10Å | |
| CAC | H21 | sing | 1.09Å | 1.10Å | |
| CAC | H22 | sing | 1.09Å | 1.10Å | |
| CAD | H23 | sing | 1.09Å | 1.10Å | |
| CAD | H24 | sing | 1.09Å | 1.10Å | |
| OAE | H25 | sing | 0.97Å | 0.95Å | |
| CAW | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAW | OAX | CAY | 105.8° | 105.5° |
| OAX | CAW | OAV | 106.5° | 103.7° |
| OAX | CAW | H2 | 110.2° | 110.6° |
| OAX | CAW | H26 | 110.2° | 110.6° |
| OAX | CAY | CAZ | 128.2° | 131.5° |
| OAX | CAY | CAU | 110.8° | 108.7° |
| CAY | CAZ | CAR | 120.4° | 120.0° |
| CAZ | CAY | CAU | 121.0° | 119.8° |
| CAY | CAZ | H1 | 119.8° | 120.0° |
| CAZ | CAR | CAQ | 121.1° | 119.9° |
| CAZ | CAR | CAS | 118.7° | 120.2° |
| CAR | CAZ | H1 | 119.8° | 120.0° |
| CAW | OAV | CAU | 105.8° | 105.5° |
| OAV | CAW | H2 | 110.2° | 110.6° |
| OAV | CAW | H26 | 110.2° | 110.5° |
| CAY | CAU | OAV | 111.0° | 108.6° |
| CAY | CAU | CAT | 120.7° | 119.8° |
| CAR | CAQ | CAP | 110.1° | 109.4° |
| CAQ | CAR | CAS | 120.2° | 119.9° |
| CAR | CAQ | H5 | 109.3° | 109.4° |
| CAR | CAQ | H6 | 109.3° | 109.5° |
| CAQ | CAP | NAO | 113.2° | 109.4° |
| CAP | CAQ | H5 | 109.3° | 109.5° |
| CAP | CAQ | H6 | 109.3° | 109.5° |
| CAQ | CAP | H7 | 108.5° | 109.5° |
| CAQ | CAP | H8 | 108.5° | 109.5° |
| CAR | CAS | CAT | 118.2° | 120.1° |
| CAR | CAS | H4 | 120.9° | 119.9° |
| OAV | CAU | CAT | 128.3° | 131.6° |
| CAU | CAT | CAS | 121.0° | 120.0° |
| CAU | CAT | H3 | 119.5° | 120.0° |
| CAS | CAT | H3 | 119.5° | 120.0° |
| CAT | CAS | H4 | 120.9° | 119.9° |
| CAP | NAO | CAM | 123.4° | 120.0° |
| NAO | CAP | H7 | 108.5° | 109.5° |
| NAO | CAP | H8 | 108.5° | 109.5° |
| CAP | NAO | H9 | 118.3° | 120.0° |
| NAO | CAM | OAN | 124.0° | 120.0° |
| NAO | CAM | CAL | 115.9° | 120.0° |
| CAM | NAO | H9 | 118.3° | 120.0° |
| OAN | CAM | CAL | 120.1° | 120.0° |
| CAM | CAL | CAK | 112.2° | 109.5° |
| CAM | CAL | H10 | 108.8° | 109.4° |
| CAM | CAL | H11 | 108.8° | 109.4° |
| OAI | CAH | NAJ | 121.2° | 120.0° |
| OAI | CAH | CAF | 122.4° | 120.0° |
| CAH | NAJ | CAK | 125.1° | 120.0° |
| NAJ | CAH | CAF | 116.4° | 120.0° |
| CAH | NAJ | H14 | 117.5° | 119.9° |
| NAJ | CAK | CAL | 109.2° | 109.5° |
| NAJ | CAK | H12 | 109.5° | 109.5° |
| NAJ | CAK | H13 | 109.5° | 109.5° |
| CAK | NAJ | H14 | 117.4° | 120.0° |
| CAH | CAF | CAB | 115.4° | 109.5° |
| CAH | CAF | OAG | 108.3° | 109.5° |
| CAH | CAF | H15 | 107.2° | 109.4° |
| CAK | CAL | H10 | 108.8° | 109.5° |
| CAK | CAL | H11 | 108.8° | 109.5° |
| CAL | CAK | H12 | 109.5° | 109.5° |
| CAL | CAK | H13 | 109.5° | 109.5° |
| CAC | CAB | CAA | 109.8° | 109.5° |
| CAC | CAB | CAF | 109.2° | 109.5° |
| CAC | CAB | CAD | 106.6° | 109.4° |
| CAB | CAC | H20 | 109.5° | 109.5° |
| CAB | CAC | H21 | 109.4° | 109.5° |
| CAB | CAC | H22 | 109.5° | 109.5° |
| CAA | CAB | CAF | 112.9° | 109.5° |
| CAA | CAB | CAD | 109.5° | 109.5° |
| CAB | CAA | H17 | 109.5° | 109.5° |
| CAB | CAA | H18 | 109.5° | 109.4° |
| CAB | CAA | H19 | 109.5° | 109.4° |
| CAB | CAF | OAG | 110.1° | 109.5° |
| CAF | CAB | CAD | 108.7° | 109.5° |
| CAB | CAF | H15 | 107.1° | 109.4° |
| OAG | CAF | H15 | 108.6° | 109.5° |
| CAF | OAG | H16 | 109.5° | 114.0° |
| CAB | CAD | OAE | 110.9° | 109.5° |
| CAB | CAD | H23 | 109.1° | 109.5° |
| CAB | CAD | H24 | 109.1° | 109.4° |
| OAE | CAD | H23 | 109.1° | 109.5° |
| OAE | CAD | H24 | 109.1° | 109.5° |
| CAD | OAE | H25 | 109.5° | 114.0° |
| H2 | CAW | H26 | 109.5° | 110.6° |
| H5 | CAQ | H6 | 109.5° | 109.5° |
| H7 | CAP | H8 | 109.4° | 109.4° |
| H10 | CAL | H11 | 109.5° | 109.4° |
| H12 | CAK | H13 | 109.5° | 109.4° |
| H17 | CAA | H18 | 109.5° | 109.5° |
| H17 | CAA | H19 | 109.4° | 109.5° |
| H18 | CAA | H19 | 109.5° | 109.5° |
| H20 | CAC | H21 | 109.5° | 109.5° |
| H20 | CAC | H22 | 109.4° | 109.4° |
| H21 | CAC | H22 | 109.5° | 109.4° |
| H23 | CAD | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAW | OAX | CAY | CAZ | 177.7° | 162.7° |
| OAX | CAW | OAV | H2 | 119.5° | 118.6° |
| OAX | CAW | OAV | H26 | 119.5° | 118.6° |
| CAW | OAX | CAY | CAU | 2.4° | 17.3° |
| OAX | CAW | OAV | CAU | 3.8° | 27.1° |
| OAX | CAW | H2 | H26 | 121.3° | 122.9° |
| OAX | CAY | CAZ | CAU | 179.8° | 180.0° |
| OAX | CAY | CAZ | CAR | 179.9° | 180.0° |
| CAY | OAX | CAW | OAV | 3.8° | 27.1° |
| OAX | CAY | CAU | OAV | 0.1° | 0.0° |
| OAX | CAY | CAU | CAT | 180.0° | 180.0° |
| OAX | CAY | CAZ | H1 | 0.1° | 0.3° |
| CAY | OAX | CAW | H2 | 115.8° | 145.7° |
| CAY | OAX | CAW | H26 | 123.3° | 91.4° |
| CAY | CAZ | CAR | H1 | 180.0° | 179.7° |
| CAY | CAZ | CAR | CAQ | 179.8° | 180.0° |
| CAY | CAZ | CAR | CAS | 0.1° | 0.0° |
| CAZ | CAY | CAU | OAV | 179.8° | 180.0° |
| CAZ | CAY | CAU | CAT | 0.1° | 0.0° |
| CAR | CAZ | CAY | CAU | 0.1° | 0.0° |
| CAZ | CAR | CAQ | CAS | 179.9° | 180.0° |
| CAZ | CAR | CAQ | CAP | 68.7° | 90.0° |
| CAZ | CAR | CAS | CAT | 0.1° | 0.1° |
| CAZ | CAR | CAS | H4 | 179.9° | 180.0° |
| CAZ | CAR | CAQ | H5 | 51.4° | 150.0° |
| CAZ | CAR | CAQ | H6 | 171.2° | 30.0° |
| CAW | OAV | CAU | CAY | 2.5° | 17.3° |
| CAW | OAV | CAU | CAT | 177.6° | 162.8° |
| OAV | CAW | H2 | H26 | 121.4° | 122.8° |
| CAY | CAU | OAV | CAT | 179.9° | 180.0° |
| CAY | CAU | CAT | CAS | 0.1° | 0.0° |
| CAU | CAY | CAZ | H1 | 179.9° | 179.7° |
| CAY | CAU | CAT | H3 | 179.9° | 179.9° |
| CAR | CAQ | CAP | H5 | 120.1° | 119.9° |
| CAR | CAQ | CAP | H6 | 120.1° | 120.0° |
| CAQ | CAR | CAS | CAT | 179.8° | 179.9° |
| CAR | CAQ | CAP | NAO | 72.9° | 180.0° |
| CAQ | CAR | CAZ | H1 | 0.2° | 0.3° |
| CAQ | CAR | CAS | H4 | 0.2° | 0.0° |
| CAR | CAQ | H5 | H6 | 119.7° | 120.0° |
| CAR | CAQ | CAP | H7 | 47.6° | 60.0° |
| CAR | CAQ | CAP | H8 | 166.5° | 60.0° |
| CAP | CAQ | CAR | CAS | 111.2° | 90.0° |
| CAQ | CAP | NAO | H7 | 120.6° | 120.0° |
| CAQ | CAP | NAO | H8 | 120.6° | 120.0° |
| CAQ | CAP | NAO | CAM | 97.3° | 180.0° |
| CAP | CAQ | H5 | H6 | 119.7° | 120.1° |
| CAQ | CAP | H7 | H8 | 118.3° | 120.0° |
| CAQ | CAP | NAO | H9 | 82.7° | 0.0° |
| CAR | CAS | CAT | CAU | 0.0° | 0.1° |
| CAR | CAS | CAT | H4 | 180.0° | 179.9° |
| CAS | CAR | CAZ | H1 | 179.9° | 179.7° |
| CAR | CAS | CAT | H3 | 180.0° | 180.0° |
| CAS | CAR | CAQ | H5 | 128.7° | 30.0° |
| CAS | CAR | CAQ | H6 | 8.9° | 150.1° |
| OAV | CAU | CAT | CAS | 179.8° | 180.0° |
| CAU | OAV | CAW | H2 | 115.7° | 145.7° |
| OAV | CAU | CAT | H3 | 0.2° | 0.0° |
| CAU | OAV | CAW | H26 | 123.3° | 91.5° |
| CAU | CAT | CAS | H3 | 180.0° | 179.9° |
| CAU | CAT | CAS | H4 | 180.0° | 180.0° |
| CAP | NAO | CAM | H9 | 180.0° | 180.0° |
| CAP | NAO | CAM | OAN | 3.0° | 0.0° |
| CAP | NAO | CAM | CAL | 176.1° | 180.0° |
| NAO | CAP | CAQ | H5 | 167.0° | 60.1° |
| NAO | CAP | CAQ | H6 | 47.2° | 60.0° |
| NAO | CAP | H7 | H8 | 118.3° | 120.0° |
| NAO | CAM | OAN | CAL | 179.1° | 180.0° |
| NAO | CAM | CAL | CAK | 77.4° | 180.0° |
| CAM | NAO | CAP | H7 | 23.3° | 60.0° |
| CAM | NAO | CAP | H8 | 142.1° | 60.0° |
| NAO | CAM | CAL | H10 | 162.2° | 60.0° |
| NAO | CAM | CAL | H11 | 43.0° | 60.0° |
| OAN | CAM | CAL | CAK | 103.5° | 0.0° |
| OAN | CAM | NAO | H9 | 177.1° | 180.0° |
| OAN | CAM | CAL | H10 | 16.9° | 120.0° |
| OAN | CAM | CAL | H11 | 136.2° | 120.0° |
| CAM | CAL | CAK | NAJ | 52.3° | 180.0° |
| CAM | CAL | CAK | H10 | 120.4° | 120.0° |
| CAM | CAL | CAK | H11 | 120.4° | 120.0° |
| CAL | CAM | NAO | H9 | 3.8° | 0.0° |
| CAM | CAL | H10 | H11 | 118.8° | 119.9° |
| CAM | CAL | CAK | H12 | 67.6° | 60.0° |
| CAM | CAL | CAK | H13 | 172.3° | 60.0° |
| OAI | CAH | NAJ | CAF | 179.0° | 180.0° |
| OAI | CAH | NAJ | CAK | 179.7° | 5.1° |
| OAI | CAH | CAF | CAB | 24.3° | 71.7° |
| OAI | CAH | CAF | OAG | 99.6° | 168.2° |
| OAI | CAH | NAJ | H14 | 0.3° | 174.9° |
| OAI | CAH | CAF | H15 | 143.5° | 48.2° |
| CAH | NAJ | CAK | H14 | 180.0° | 179.9° |
| CAH | NAJ | CAK | CAL | 154.1° | 180.0° |
| NAJ | CAH | CAF | CAB | 156.7° | 108.3° |
| NAJ | CAH | CAF | OAG | 79.4° | 11.8° |
| CAH | NAJ | CAK | H12 | 86.0° | 60.0° |
| CAH | NAJ | CAK | H13 | 34.1° | 59.9° |
| NAJ | CAH | CAF | H15 | 37.6° | 131.8° |
| CAK | NAJ | CAH | CAF | 1.3° | 174.9° |
| NAJ | CAK | CAL | H12 | 119.9° | 120.0° |
| NAJ | CAK | CAL | H13 | 119.9° | 120.0° |
| NAJ | CAK | CAL | H10 | 68.1° | 60.0° |
| NAJ | CAK | CAL | H11 | 172.7° | 60.0° |
| NAJ | CAK | H12 | H13 | 120.1° | 120.0° |
| CAH | CAF | CAB | CAC | 83.6° | 54.1° |
| CAH | CAF | CAB | CAA | 38.8° | 65.9° |
| CAH | CAF | CAB | OAG | 122.9° | 120.0° |
| CAH | CAF | CAB | H15 | 119.2° | 119.9° |
| CAH | CAF | OAG | H15 | 116.0° | 120.0° |
| CAH | CAF | CAB | CAD | 160.4° | 174.0° |
| CAF | CAH | NAJ | H14 | 178.7° | 5.1° |
| CAH | CAF | OAG | H16 | 180.0° | 60.0° |
| CAK | CAL | H10 | H11 | 118.8° | 120.0° |
| CAL | CAK | H12 | H13 | 120.1° | 120.0° |
| CAL | CAK | NAJ | H14 | 25.9° | 0.0° |
| CAC | CAB | CAA | CAF | 122.1° | 120.0° |
| CAC | CAB | CAA | CAD | 116.7° | 120.0° |
| CAC | CAB | CAF | CAD | 116.0° | 120.0° |
| CAC | CAB | CAF | OAG | 153.5° | 66.0° |
| CAC | CAB | CAD | OAE | 128.5° | 60.0° |
| CAC | CAB | CAF | H15 | 35.6° | 174.0° |
| CAC | CAB | CAA | H17 | 180.0° | 55.6° |
| CAC | CAB | CAA | H18 | 60.0° | 64.4° |
| CAC | CAB | CAA | H19 | 60.0° | 175.6° |
| CAB | CAC | H20 | H21 | 120.0° | 120.1° |
| CAB | CAC | H20 | H22 | 120.0° | 120.0° |
| CAB | CAC | H21 | H22 | 120.0° | 120.1° |
| CAC | CAB | CAD | H23 | 111.3° | 60.0° |
| CAC | CAB | CAD | H24 | 8.3° | 180.0° |
| CAA | CAB | CAF | CAD | 121.7° | 120.1° |
| CAA | CAB | CAF | OAG | 84.1° | 174.1° |
| CAA | CAB | CAD | OAE | 9.8° | 60.0° |
| CAA | CAB | CAF | H15 | 158.0° | 54.0° |
| CAB | CAA | H17 | H18 | 120.0° | 120.0° |
| CAB | CAA | H17 | H19 | 120.0° | 120.0° |
| CAB | CAA | H18 | H19 | 120.0° | 120.0° |
| CAA | CAB | CAC | H20 | 180.0° | 180.0° |
| CAA | CAB | CAC | H21 | 60.0° | 60.0° |
| CAA | CAB | CAC | H22 | 60.0° | 60.0° |
| CAA | CAB | CAD | H23 | 130.1° | 180.0° |
| CAA | CAB | CAD | H24 | 110.4° | 60.0° |
| CAB | CAF | OAG | H15 | 116.9° | 120.0° |
| CAF | CAB | CAD | OAE | 113.9° | 180.0° |
| CAB | CAF | OAG | H16 | 53.0° | 60.0° |
| CAF | CAB | CAA | H17 | 57.9° | 64.4° |
| CAF | CAB | CAA | H18 | 177.9° | 175.6° |
| CAF | CAB | CAA | H19 | 62.1° | 55.6° |
| CAF | CAB | CAC | H20 | 55.8° | 60.0° |
| CAF | CAB | CAC | H21 | 64.2° | 180.0° |
| CAF | CAB | CAC | H22 | 175.8° | 60.0° |
| CAF | CAB | CAD | H23 | 6.4° | 60.0° |
| CAF | CAB | CAD | H24 | 125.9° | 60.0° |
| OAG | CAF | CAB | CAD | 37.5° | 54.0° |
| CAB | CAD | OAE | H23 | 120.2° | 120.1° |
| CAB | CAD | OAE | H24 | 120.2° | 120.0° |
| CAD | CAB | CAF | H15 | 80.3° | 66.0° |
| CAD | CAB | CAA | H17 | 63.3° | 175.6° |
| CAD | CAB | CAA | H18 | 56.7° | 55.6° |
| CAD | CAB | CAA | H19 | 176.7° | 64.4° |
| CAD | CAB | CAC | H20 | 61.5° | 60.0° |
| CAD | CAB | CAC | H21 | 178.5° | 60.0° |
| CAD | CAB | CAC | H22 | 58.5° | 180.0° |
| CAB | CAD | H23 | H24 | 119.3° | 120.0° |
| CAB | CAD | OAE | H25 | 180.0° | 180.0° |
| OAE | CAD | H23 | H24 | 119.4° | 120.0° |
| H3 | CAT | CAS | H4 | 0.0° | 0.0° |
| H5 | CAQ | CAP | H7 | 72.5° | 179.9° |
| H5 | CAQ | CAP | H8 | 46.4° | 59.9° |
| H6 | CAQ | CAP | H7 | 167.7° | 60.0° |
| H6 | CAQ | CAP | H8 | 73.4° | 180.0° |
| H7 | CAP | NAO | H9 | 156.7° | 120.0° |
| H8 | CAP | NAO | H9 | 37.8° | 120.0° |
| H10 | CAL | CAK | H12 | 172.0° | 180.0° |
| H10 | CAL | CAK | H13 | 51.9° | 60.0° |
| H11 | CAL | CAK | H12 | 52.8° | 60.0° |
| H11 | CAL | CAK | H13 | 67.3° | 180.0° |
| H12 | CAK | NAJ | H14 | 94.0° | 120.1° |
| H13 | CAK | NAJ | H14 | 145.9° | 120.0° |
| H15 | CAF | OAG | H16 | 64.0° | 180.0° |
| H17 | CAA | H18 | H19 | 120.0° | 120.1° |
| H20 | CAC | H21 | H22 | 120.0° | 119.9° |
| H23 | CAD | OAE | H25 | 59.8° | 60.0° |
| H24 | CAD | OAE | H25 | 59.8° | 60.0° |
