SH3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CBA | OBB | sing | 1.44Å | 1.44Å | |
CBA | OAZ | sing | 1.44Å | 1.47Å | |
OBB | CBC | sing | 1.37Å | 1.36Å | |
CAI | CAG | sing | 1.53Å | 1.54Å | |
OAA | PAB | doub | 1.48Å | 1.48Å | |
CAF | CAG | sing | 1.53Å | 1.53Å | |
CAF | OAE | sing | 1.43Å | 1.43Å | |
OAZ | CAY | sing | 1.36Å | 1.36Å | |
CBC | CAY | doub | 1.39Å | 1.33Å | Aromatic |
CBC | CBD | sing | 1.39Å | 1.34Å | Aromatic |
CAG | CAH | sing | 1.53Å | 1.54Å | |
CAG | CAJ | sing | 1.53Å | 1.55Å | |
OAE | PAB | sing | 1.61Å | 1.59Å | |
CAY | CAX | sing | 1.39Å | 1.33Å | Aromatic |
PAB | OAC | sing | 1.61Å | 1.62Å | |
PAB | OAD | sing | 1.61Å | 1.60Å | |
CBD | CAV | doub | 1.38Å | 1.40Å | Aromatic |
OAK | CAJ | sing | 1.43Å | 1.43Å | |
CAP | CAQ | sing | 1.51Å | 1.52Å | |
CAP | CAO | sing | 1.53Å | 1.53Å | |
CAJ | CAL | sing | 1.51Å | 1.53Å | |
CAX | CAW | doub | 1.38Å | 1.39Å | Aromatic |
NAS | CAQ | sing | 1.35Å | 1.34Å | |
NAS | CAT | sing | 1.47Å | 1.45Å | |
NAN | CAL | sing | 1.35Å | 1.34Å | |
NAN | CAO | sing | 1.47Å | 1.46Å | |
CAL | OAM | doub | 1.21Å | 1.23Å | |
CAQ | OAR | doub | 1.21Å | 1.23Å | |
CAV | CAW | sing | 1.38Å | 1.39Å | Aromatic |
CAV | CAU | sing | 1.51Å | 1.42Å | |
CAT | CAU | sing | 1.53Å | 1.52Å | |
OAC | H1 | sing | 0.97Å | 0.95Å | |
OAD | H2 | sing | 0.97Å | 0.95Å | |
CAF | H3 | sing | 1.09Å | 1.10Å | |
CAF | H4 | sing | 1.09Å | 1.10Å | |
CAH | H5 | sing | 1.09Å | 1.10Å | |
CAH | H6 | sing | 1.09Å | 1.10Å | |
CAH | H7 | sing | 1.09Å | 1.10Å | |
CAI | H8 | sing | 1.09Å | 1.10Å | |
CAI | H9 | sing | 1.09Å | 1.10Å | |
CAI | H10 | sing | 1.09Å | 1.10Å | |
CAJ | H11 | sing | 1.09Å | 1.10Å | |
OAK | H12 | sing | 0.97Å | 0.95Å | |
NAN | H13 | sing | 0.97Å | 1.00Å | |
CAO | H14 | sing | 1.09Å | 1.10Å | |
CAO | H15 | sing | 1.09Å | 1.10Å | |
CAP | H16 | sing | 1.09Å | 1.10Å | |
CAP | H17 | sing | 1.09Å | 1.10Å | |
NAS | H18 | sing | 0.97Å | 1.00Å | |
CAT | H19 | sing | 1.09Å | 1.10Å | |
CAT | H20 | sing | 1.09Å | 1.10Å | |
CAU | H21 | sing | 1.09Å | 1.10Å | |
CAU | H22 | sing | 1.09Å | 1.10Å | |
CBD | H23 | sing | 1.08Å | 1.08Å | |
CBA | H24 | sing | 1.09Å | 1.10Å | |
CBA | H25 | sing | 1.09Å | 1.10Å | |
CAX | H26 | sing | 1.08Å | 1.08Å | |
CAW | H27 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OBB | CBA | OAZ | 102.6° | 103.7° |
CBA | OBB | CBC | 105.3° | 105.5° |
OBB | CBA | H24 | 111.2° | 110.6° |
OBB | CBA | H25 | 111.2° | 110.6° |
CBA | OAZ | CAY | 104.5° | 105.5° |
OAZ | CBA | H24 | 111.2° | 110.5° |
OAZ | CBA | H25 | 111.2° | 110.5° |
OBB | CBC | CAY | 110.1° | 108.6° |
OBB | CBC | CBD | 129.1° | 131.6° |
CAI | CAG | CAF | 107.8° | 109.5° |
CAI | CAG | CAH | 110.4° | 109.5° |
CAI | CAG | CAJ | 111.1° | 109.5° |
CAG | CAI | H8 | 109.5° | 109.4° |
CAG | CAI | H9 | 109.4° | 109.5° |
CAG | CAI | H10 | 109.5° | 109.5° |
OAA | PAB | OAE | 113.1° | 109.5° |
OAA | PAB | OAC | 112.7° | 109.4° |
OAA | PAB | OAD | 110.7° | 109.5° |
CAG | CAF | OAE | 109.1° | 109.5° |
CAF | CAG | CAH | 109.0° | 109.5° |
CAF | CAG | CAJ | 108.2° | 109.5° |
CAG | CAF | H3 | 109.6° | 109.4° |
CAG | CAF | H4 | 109.6° | 109.5° |
CAF | OAE | PAB | 119.4° | 123.0° |
OAE | CAF | H3 | 109.5° | 109.5° |
OAE | CAF | H4 | 109.6° | 109.5° |
OAZ | CAY | CBC | 110.1° | 108.7° |
OAZ | CAY | CAX | 129.1° | 131.5° |
CAY | CBC | CBD | 120.7° | 119.9° |
CBC | CAY | CAX | 120.8° | 119.8° |
CBC | CBD | CAV | 121.3° | 120.0° |
CBC | CBD | H23 | 119.3° | 120.0° |
CAH | CAG | CAJ | 110.3° | 109.5° |
CAG | CAH | H5 | 109.5° | 109.5° |
CAG | CAH | H6 | 109.5° | 109.5° |
CAG | CAH | H7 | 109.5° | 109.5° |
CAG | CAJ | OAK | 109.2° | 109.5° |
CAG | CAJ | CAL | 111.7° | 109.4° |
CAG | CAJ | H11 | 108.8° | 109.5° |
OAE | PAB | OAC | 107.3° | 109.5° |
OAE | PAB | OAD | 107.5° | 109.5° |
CAY | CAX | CAW | 121.2° | 120.0° |
CAY | CAX | H26 | 119.4° | 120.0° |
OAC | PAB | OAD | 105.1° | 109.5° |
PAB | OAC | H1 | 109.5° | 114.0° |
PAB | OAD | H2 | 109.5° | 114.0° |
CBD | CAV | CAW | 117.2° | 120.2° |
CBD | CAV | CAU | 122.0° | 119.9° |
CAV | CBD | H23 | 119.4° | 120.0° |
OAK | CAJ | CAL | 107.4° | 109.5° |
OAK | CAJ | H11 | 110.6° | 109.5° |
CAJ | OAK | H12 | 109.5° | 114.1° |
CAQ | CAP | CAO | 107.3° | 109.4° |
CAP | CAQ | NAS | 114.9° | 120.0° |
CAP | CAQ | OAR | 119.7° | 120.0° |
CAQ | CAP | H16 | 110.0° | 109.5° |
CAQ | CAP | H17 | 110.0° | 109.5° |
CAP | CAO | NAN | 109.1° | 109.5° |
CAP | CAO | H14 | 109.5° | 109.5° |
CAP | CAO | H15 | 109.6° | 109.5° |
CAO | CAP | H16 | 110.0° | 109.5° |
CAO | CAP | H17 | 110.0° | 109.4° |
CAJ | CAL | NAN | 113.8° | 120.0° |
CAJ | CAL | OAM | 121.1° | 120.0° |
CAL | CAJ | H11 | 109.2° | 109.5° |
CAX | CAW | CAV | 118.8° | 120.2° |
CAW | CAX | H26 | 119.4° | 120.0° |
CAX | CAW | H27 | 120.6° | 119.9° |
CAQ | NAS | CAT | 122.8° | 120.0° |
NAS | CAQ | OAR | 125.3° | 120.0° |
CAQ | NAS | H18 | 118.6° | 120.0° |
NAS | CAT | CAU | 104.5° | 109.5° |
CAT | NAS | H18 | 118.6° | 120.0° |
NAS | CAT | H19 | 110.7° | 109.5° |
NAS | CAT | H20 | 110.7° | 109.5° |
CAL | NAN | CAO | 123.3° | 120.0° |
NAN | CAL | OAM | 125.1° | 120.0° |
CAL | NAN | H13 | 118.3° | 120.0° |
CAO | NAN | H13 | 118.4° | 120.0° |
NAN | CAO | H14 | 109.6° | 109.5° |
NAN | CAO | H15 | 109.6° | 109.5° |
CAW | CAV | CAU | 120.8° | 119.9° |
CAV | CAW | H27 | 120.6° | 120.0° |
CAV | CAU | CAT | 107.0° | 109.4° |
CAV | CAU | H21 | 110.1° | 109.5° |
CAV | CAU | H22 | 110.1° | 109.5° |
CAU | CAT | H19 | 110.7° | 109.5° |
CAU | CAT | H20 | 110.7° | 109.4° |
CAT | CAU | H21 | 110.1° | 109.5° |
CAT | CAU | H22 | 110.1° | 109.5° |
H3 | CAF | H4 | 109.5° | 109.5° |
H5 | CAH | H6 | 109.5° | 109.5° |
H5 | CAH | H7 | 109.5° | 109.4° |
H6 | CAH | H7 | 109.4° | 109.5° |
H8 | CAI | H9 | 109.5° | 109.5° |
H8 | CAI | H10 | 109.5° | 109.4° |
H9 | CAI | H10 | 109.5° | 109.5° |
H14 | CAO | H15 | 109.5° | 109.5° |
H16 | CAP | H17 | 109.5° | 109.5° |
H19 | CAT | H20 | 109.5° | 109.5° |
H21 | CAU | H22 | 109.4° | 109.5° |
H24 | CBA | H25 | 109.5° | 110.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OBB | CBA | OAZ | H24 | 118.9° | 118.6° |
OBB | CBA | OAZ | H25 | 118.9° | 118.6° |
OBB | CBA | OAZ | CAY | 25.7° | 27.1° |
CBA | OBB | CBC | CAY | 16.9° | 17.3° |
CBA | OBB | CBC | CBD | 163.4° | 162.7° |
OBB | CBA | H24 | H25 | 123.2° | 122.9° |
OAZ | CBA | OBB | CBC | 25.6° | 27.1° |
CBA | OAZ | CAY | CBC | 16.7° | 17.2° |
CBA | OAZ | CAY | CAX | 163.9° | 162.8° |
OAZ | CBA | H24 | H25 | 123.2° | 122.8° |
OBB | CBC | CAY | OAZ | 0.2° | 0.0° |
OBB | CBC | CAY | CBD | 179.8° | 180.0° |
OBB | CBC | CAY | CAX | 179.7° | 179.9° |
OBB | CBC | CBD | CAV | 180.0° | 180.0° |
OBB | CBC | CBD | H23 | 0.0° | 0.0° |
CBC | OBB | CBA | H24 | 144.5° | 145.7° |
CBC | OBB | CBA | H25 | 93.3° | 91.4° |
CAI | CAG | CAF | CAH | 119.8° | 120.0° |
CAI | CAG | CAF | CAJ | 120.2° | 120.0° |
CAI | CAG | CAF | OAE | 175.2° | 59.9° |
CAI | CAG | CAH | CAJ | 123.1° | 120.0° |
CAI | CAG | CAJ | OAK | 67.0° | 54.3° |
CAI | CAG | CAJ | CAL | 51.6° | 174.3° |
CAI | CAG | CAF | H3 | 64.9° | 60.1° |
CAI | CAG | CAF | H4 | 55.2° | 180.0° |
CAI | CAG | CAH | H5 | 180.0° | 53.6° |
CAI | CAG | CAH | H6 | 60.0° | 66.4° |
CAI | CAG | CAH | H7 | 60.0° | 173.5° |
CAG | CAI | H8 | H9 | 120.0° | 120.0° |
CAG | CAI | H8 | H10 | 120.0° | 120.0° |
CAG | CAI | H9 | H10 | 120.0° | 120.1° |
CAI | CAG | CAJ | H11 | 172.2° | 65.7° |
OAA | PAB | OAE | CAF | 53.9° | 55.0° |
OAA | PAB | OAE | OAC | 124.9° | 120.0° |
OAA | PAB | OAE | OAD | 122.5° | 120.0° |
OAA | PAB | OAC | OAD | 120.6° | 120.0° |
OAA | PAB | OAC | H1 | 0.0° | 60.0° |
OAA | PAB | OAD | H2 | 0.0° | 180.0° |
CAG | CAF | OAE | H3 | 119.9° | 120.0° |
CAG | CAF | OAE | H4 | 119.9° | 120.0° |
CAF | CAG | CAH | CAJ | 118.7° | 120.0° |
CAG | CAF | OAE | PAB | 131.6° | 180.0° |
CAF | CAG | CAJ | OAK | 51.2° | 65.7° |
CAF | CAG | CAJ | CAL | 169.8° | 54.2° |
CAG | CAF | H3 | H4 | 120.2° | 120.0° |
CAF | CAG | CAH | H5 | 61.8° | 66.4° |
CAF | CAG | CAH | H6 | 178.2° | 173.6° |
CAF | CAG | CAH | H7 | 58.3° | 53.5° |
CAF | CAG | CAI | H8 | 180.0° | 63.4° |
CAF | CAG | CAI | H9 | 60.0° | 176.6° |
CAF | CAG | CAI | H10 | 60.0° | 56.5° |
CAF | CAG | CAJ | H11 | 69.6° | 174.2° |
OAE | CAF | CAG | CAH | 65.0° | 60.0° |
OAE | CAF | CAG | CAJ | 55.0° | 180.0° |
CAF | OAE | PAB | OAC | 71.0° | 175.0° |
CAF | OAE | PAB | OAD | 176.4° | 65.0° |
OAE | CAF | H3 | H4 | 120.2° | 120.0° |
OAZ | CAY | CBC | CAX | 179.5° | 180.0° |
OAZ | CAY | CBC | CBD | 179.6° | 180.0° |
OAZ | CAY | CAX | CAW | 179.4° | 179.9° |
CAY | OAZ | CBA | H24 | 144.5° | 145.7° |
CAY | OAZ | CBA | H25 | 93.2° | 91.5° |
OAZ | CAY | CAX | H26 | 0.6° | 0.1° |
CAY | CBC | CBD | CAV | 0.2° | 0.0° |
CBC | CAY | CAX | CAW | 0.0° | 0.1° |
CAY | CBC | CBD | H23 | 179.8° | 179.9° |
CBC | CAY | CAX | H26 | 180.0° | 180.0° |
CBD | CBC | CAY | CAX | 0.1° | 0.1° |
CBC | CBD | CAV | H23 | 180.0° | 179.9° |
CBC | CBD | CAV | CAW | 0.7° | 0.1° |
CBC | CBD | CAV | CAU | 179.5° | 179.8° |
CAH | CAG | CAJ | OAK | 170.3° | 174.3° |
CAH | CAG | CAJ | CAL | 71.1° | 65.7° |
CAH | CAG | CAF | H3 | 54.9° | 180.0° |
CAH | CAG | CAF | H4 | 175.1° | 60.0° |
CAG | CAH | H5 | H6 | 120.0° | 120.0° |
CAG | CAH | H5 | H7 | 120.0° | 120.0° |
CAG | CAH | H6 | H7 | 120.0° | 120.0° |
CAH | CAG | CAI | H8 | 61.0° | 176.6° |
CAH | CAG | CAI | H9 | 178.9° | 56.6° |
CAH | CAG | CAI | H10 | 59.0° | 63.4° |
CAH | CAG | CAJ | H11 | 49.5° | 54.3° |
CAG | CAJ | OAK | CAL | 121.3° | 119.9° |
CAG | CAJ | OAK | H11 | 119.7° | 120.1° |
CAG | CAJ | CAL | H11 | 120.3° | 120.0° |
CAG | CAJ | CAL | NAN | 113.5° | 68.2° |
CAG | CAJ | CAL | OAM | 66.3° | 111.8° |
CAJ | CAG | CAF | H3 | 174.9° | 60.0° |
CAJ | CAG | CAF | H4 | 65.0° | 60.0° |
CAJ | CAG | CAH | H5 | 56.9° | 173.6° |
CAJ | CAG | CAH | H6 | 63.1° | 53.6° |
CAJ | CAG | CAH | H7 | 176.9° | 66.5° |
CAJ | CAG | CAI | H8 | 61.6° | 56.6° |
CAJ | CAG | CAI | H9 | 58.4° | 63.4° |
CAJ | CAG | CAI | H10 | 178.4° | 176.6° |
CAG | CAJ | OAK | H12 | 180.0° | 60.0° |
OAE | PAB | OAC | OAD | 114.3° | 120.0° |
OAE | PAB | OAC | H1 | 125.1° | 179.9° |
OAE | PAB | OAD | H2 | 124.0° | 60.0° |
PAB | OAE | CAF | H3 | 108.5° | 60.0° |
PAB | OAE | CAF | H4 | 11.7° | 60.0° |
CAY | CAX | CAW | H26 | 180.0° | 179.9° |
CAY | CAX | CAW | CAV | 0.5° | 0.1° |
CAY | CAX | CAW | H27 | 179.5° | 179.7° |
OAC | PAB | OAD | H2 | 121.9° | 60.0° |
OAD | PAB | OAC | H1 | 120.6° | 60.0° |
CBD | CAV | CAW | CAX | 0.8° | 0.1° |
CBD | CAV | CAW | CAU | 179.8° | 179.7° |
CBD | CAV | CAU | CAT | 60.3° | 89.7° |
CBD | CAV | CAU | H21 | 59.3° | 150.3° |
CBD | CAV | CAU | H22 | 179.9° | 30.3° |
CBD | CAV | CAW | H27 | 179.2° | 179.7° |
OAK | CAJ | CAL | H11 | 119.9° | 120.0° |
OAK | CAJ | CAL | NAN | 6.2° | 171.9° |
OAK | CAJ | CAL | OAM | 174.0° | 8.1° |
CAQ | CAP | CAO | H16 | 119.7° | 120.0° |
CAQ | CAP | CAO | H17 | 119.7° | 120.0° |
CAP | CAQ | NAS | OAR | 177.8° | 180.0° |
CAP | CAQ | NAS | CAT | 177.4° | 180.0° |
CAQ | CAP | CAO | NAN | 157.4° | 180.0° |
CAQ | CAP | CAO | H14 | 82.6° | 60.0° |
CAQ | CAP | CAO | H15 | 37.5° | 60.0° |
CAQ | CAP | H16 | H17 | 121.0° | 120.1° |
CAP | CAQ | NAS | H18 | 2.5° | 0.0° |
CAO | CAP | CAQ | NAS | 105.1° | 180.0° |
CAP | CAO | NAN | CAL | 82.4° | 180.0° |
CAP | CAO | NAN | H14 | 119.9° | 120.0° |
CAP | CAO | NAN | H15 | 119.9° | 120.0° |
CAO | CAP | CAQ | OAR | 72.8° | 0.0° |
CAP | CAO | NAN | H13 | 97.6° | 0.1° |
CAP | CAO | H14 | H15 | 120.2° | 120.0° |
CAO | CAP | H16 | H17 | 121.0° | 120.0° |
CAJ | CAL | NAN | OAM | 179.8° | 180.0° |
CAJ | CAL | NAN | CAO | 179.7° | 175.6° |
CAL | CAJ | OAK | H12 | 58.7° | 60.0° |
CAJ | CAL | NAN | H13 | 0.3° | 4.4° |
CAX | CAW | CAV | H27 | 180.0° | 179.8° |
CAX | CAW | CAV | CAU | 179.4° | 179.8° |
CAQ | NAS | CAT | H18 | 180.0° | 180.0° |
CAQ | NAS | CAT | CAU | 141.1° | 180.0° |
NAS | CAQ | CAP | H16 | 135.2° | 60.0° |
NAS | CAQ | CAP | H17 | 14.5° | 60.0° |
CAQ | NAS | CAT | H19 | 99.7° | 60.0° |
CAQ | NAS | CAT | H20 | 21.9° | 60.0° |
CAT | NAS | CAQ | OAR | 0.4° | 0.0° |
NAS | CAT | CAU | CAV | 108.8° | 180.0° |
NAS | CAT | CAU | H19 | 119.2° | 120.0° |
NAS | CAT | CAU | H20 | 119.2° | 120.0° |
NAS | CAT | H19 | H20 | 122.3° | 120.0° |
NAS | CAT | CAU | H21 | 10.9° | 60.0° |
NAS | CAT | CAU | H22 | 131.6° | 60.0° |
CAL | NAN | CAO | H13 | 180.0° | 179.9° |
NAN | CAL | CAJ | H11 | 126.1° | 51.9° |
CAL | NAN | CAO | H14 | 157.7° | 60.0° |
CAL | NAN | CAO | H15 | 37.6° | 60.0° |
CAO | NAN | CAL | OAM | 0.5° | 4.4° |
NAN | CAO | H14 | H15 | 120.2° | 120.0° |
NAN | CAO | CAP | H16 | 37.8° | 60.0° |
NAN | CAO | CAP | H17 | 82.9° | 60.0° |
OAM | CAL | CAJ | H11 | 54.1° | 128.1° |
OAM | CAL | NAN | H13 | 179.5° | 175.5° |
OAR | CAQ | CAP | H16 | 46.8° | 120.0° |
OAR | CAQ | CAP | H17 | 167.5° | 119.9° |
OAR | CAQ | NAS | H18 | 179.6° | 180.0° |
CAW | CAV | CAU | CAT | 119.9° | 90.0° |
CAW | CAV | CAU | H21 | 120.5° | 30.0° |
CAW | CAV | CAU | H22 | 0.3° | 150.0° |
CAW | CAV | CBD | H23 | 179.3° | 180.0° |
CAV | CAW | CAX | H26 | 179.5° | 180.0° |
CAV | CAU | CAT | H21 | 119.6° | 119.9° |
CAV | CAU | CAT | H22 | 119.6° | 120.0° |
CAV | CAU | CAT | H19 | 10.4° | 60.0° |
CAV | CAU | CAT | H20 | 132.0° | 60.0° |
CAV | CAU | H21 | H22 | 121.1° | 120.1° |
CAU | CAV | CBD | H23 | 0.5° | 0.3° |
CAU | CAV | CAW | H27 | 0.6° | 0.0° |
CAU | CAT | NAS | H18 | 38.9° | 0.0° |
CAU | CAT | H19 | H20 | 122.3° | 120.0° |
CAT | CAU | H21 | H22 | 121.1° | 120.0° |
H5 | CAH | H6 | H7 | 120.0° | 120.0° |
H8 | CAI | H9 | H10 | 120.0° | 119.9° |
H11 | CAJ | OAK | H12 | 60.3° | 180.0° |
H13 | NAN | CAO | H14 | 22.3° | 119.9° |
H13 | NAN | CAO | H15 | 142.5° | 120.0° |
H14 | CAO | CAP | H16 | 157.7° | 180.0° |
H14 | CAO | CAP | H17 | 37.0° | 60.0° |
H15 | CAO | CAP | H16 | 82.2° | 60.0° |
H15 | CAO | CAP | H17 | 157.2° | 180.0° |
H18 | NAS | CAT | H19 | 80.3° | 120.0° |
H18 | NAS | CAT | H20 | 158.1° | 120.0° |
H19 | CAT | CAU | H21 | 130.1° | 180.0° |
H19 | CAT | CAU | H22 | 109.2° | 60.0° |
H20 | CAT | CAU | H21 | 108.3° | 60.0° |
H20 | CAT | CAU | H22 | 12.4° | 180.0° |
H26 | CAX | CAW | H27 | 0.5° | 0.2° |