TR0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | CAW | sing | 1.51Å | 1.53Å | |
CAW | CAK | sing | 1.41Å | 1.35Å | Aromatic |
CAW | NAQ | doub | 1.30Å | 1.33Å | Aromatic |
CAK | CAZ | doub | 1.36Å | 1.35Å | Aromatic |
NAQ | OAT | sing | 1.21Å | 1.43Å | Aromatic |
OAT | CAZ | sing | 1.34Å | 1.37Å | Aromatic |
CAZ | CAM | sing | 1.51Å | 1.55Å | |
CAM | CAU | sing | 1.51Å | 1.53Å | |
CAU | OAB | doub | 1.21Å | 1.21Å | |
CAU | N | sing | 1.35Å | 1.33Å | |
N | CD2 | sing | 1.47Å | 1.49Å | |
N | CA | sing | 1.47Å | 1.48Å | |
CD2 | CG | sing | 1.55Å | 1.53Å | |
CG | OD1 | sing | 1.43Å | 1.43Å | |
CG | CB | sing | 1.55Å | 1.53Å | |
CB | CA | sing | 1.54Å | 1.53Å | |
CA | C | sing | 1.51Å | 1.53Å | |
C | O | doub | 1.21Å | 1.23Å | |
C | NAR | sing | 1.35Å | 1.33Å | |
NAR | CAL | sing | 1.47Å | 1.46Å | |
CAL | CAX | sing | 1.51Å | 1.53Å | |
CA0 | CAJ | sing | 1.38Å | 1.41Å | Aromatic |
CA0 | CAI | doub | 1.38Å | 1.39Å | Aromatic |
CAX | CAF | sing | 1.38Å | 1.41Å | Aromatic |
CAX | CAE | doub | 1.38Å | 1.39Å | Aromatic |
CA1 | CA2 | doub | 1.38Å | 1.41Å | Aromatic |
CA1 | CAI | sing | 1.38Å | 1.39Å | Aromatic |
CAF | CAH | doub | 1.38Å | 1.40Å | Aromatic |
CA2 | CBA | sing | 1.39Å | 1.39Å | Aromatic |
CAH | CAY | sing | 1.39Å | 1.40Å | Aromatic |
CAE | CAG | sing | 1.38Å | 1.39Å | Aromatic |
CAG | CAY | doub | 1.39Å | 1.41Å | Aromatic |
CAY | CBA | sing | 1.48Å | 1.40Å | |
CBA | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
CAA | HAA1 | sing | 1.09Å | 1.10Å | |
CAA | HAA2 | sing | 1.09Å | 1.10Å | |
CAA | HAA3 | sing | 1.09Å | 1.10Å | |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAM | HAM1 | sing | 1.09Å | 1.10Å | |
CAM | HAM2 | sing | 1.09Å | 1.10Å | |
CD2 | HD21 | sing | 1.09Å | 1.10Å | |
CD2 | HD22 | sing | 1.09Å | 1.10Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CG | HG | sing | 1.09Å | 1.10Å | |
OD1 | HD1 | sing | 0.97Å | 0.95Å | |
CB | HB1C | sing | 1.09Å | 1.10Å | |
CB | HB2C | sing | 1.09Å | 1.10Å | |
NAR | HAR | sing | 0.97Å | 1.00Å | |
CAL | HAL1 | sing | 1.09Å | 1.10Å | |
CAL | HAL2 | sing | 1.09Å | 1.10Å | |
CA0 | HA0 | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CA1 | HA1 | sing | 1.08Å | 1.08Å | |
CA2 | HA2 | sing | 1.08Å | 1.08Å | |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAG | HAG | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAA | CAW | CAK | 125.7° | 126.8° |
CAA | CAW | NAQ | 122.0° | 126.8° |
CAW | CAA | HAA1 | 109.5° | 109.4° |
CAW | CAA | HAA2 | 109.5° | 109.5° |
CAW | CAA | HAA3 | 109.5° | 109.5° |
CAK | CAW | NAQ | 112.3° | 106.5° |
CAW | CAK | CAZ | 108.4° | 103.9° |
CAW | CAK | HAK | 125.8° | 128.0° |
CAW | NAQ | OAT | 103.4° | 111.5° |
CAK | CAZ | OAT | 106.8° | 106.4° |
CAK | CAZ | CAM | 131.1° | 126.8° |
CAZ | CAK | HAK | 125.8° | 128.0° |
NAQ | OAT | CAZ | 109.1° | 111.6° |
OAT | CAZ | CAM | 122.0° | 126.8° |
CAZ | CAM | CAU | 104.7° | 109.5° |
CAZ | CAM | HAM1 | 110.6° | 109.4° |
CAZ | CAM | HAM2 | 110.7° | 109.5° |
CAM | CAU | OAB | 120.4° | 120.0° |
CAM | CAU | N | 124.2° | 120.0° |
CAU | CAM | HAM1 | 110.7° | 109.5° |
CAU | CAM | HAM2 | 110.6° | 109.5° |
OAB | CAU | N | 115.3° | 120.0° |
CAU | N | CD2 | 125.7° | 125.7° |
CAU | N | CA | 122.0° | 125.7° |
CD2 | N | CA | 112.4° | 108.7° |
N | CD2 | CG | 103.5° | 104.8° |
N | CD2 | HD21 | 110.9° | 110.3° |
N | CD2 | HD22 | 110.9° | 110.4° |
N | CA | CB | 104.0° | 107.3° |
N | CA | C | 109.7° | 109.9° |
N | CA | HA | 111.6° | 109.9° |
CD2 | CG | OD1 | 106.1° | 111.0° |
CD2 | CG | CB | 105.7° | 101.6° |
CG | CD2 | HD21 | 110.9° | 110.4° |
CG | CD2 | HD22 | 110.9° | 110.4° |
CD2 | CG | HG | 111.2° | 111.0° |
OD1 | CG | CB | 109.4° | 111.0° |
OD1 | CG | HG | 112.8° | 110.9° |
CG | OD1 | HD1 | 109.5° | 114.0° |
CG | CB | CA | 105.1° | 103.0° |
CB | CG | HG | 111.2° | 111.0° |
CG | CB | HB1C | 110.6° | 110.7° |
CG | CB | HB2C | 110.5° | 110.7° |
CB | CA | C | 109.5° | 110.0° |
CB | CA | HA | 110.9° | 109.8° |
CA | CB | HB1C | 110.6° | 110.9° |
CA | CB | HB2C | 110.5° | 110.5° |
CA | C | O | 122.1° | 120.0° |
CA | C | NAR | 115.0° | 120.0° |
C | CA | HA | 110.9° | 110.0° |
O | C | NAR | 122.9° | 120.0° |
C | NAR | CAL | 117.4° | 120.0° |
C | NAR | HAR | 121.3° | 120.1° |
NAR | CAL | CAX | 108.3° | 109.5° |
CAL | NAR | HAR | 121.3° | 119.9° |
NAR | CAL | HAL1 | 109.8° | 109.4° |
NAR | CAL | HAL2 | 109.8° | 109.5° |
CAL | CAX | CAF | 121.4° | 119.9° |
CAL | CAX | CAE | 117.4° | 119.9° |
CAX | CAL | HAL1 | 109.8° | 109.5° |
CAX | CAL | HAL2 | 109.7° | 109.5° |
CAJ | CA0 | CAI | 120.4° | 120.2° |
CA0 | CAJ | CBA | 121.4° | 119.9° |
CAJ | CA0 | HA0 | 119.8° | 119.9° |
CA0 | CAJ | HAJ | 119.3° | 120.1° |
CA0 | CAI | CA1 | 118.1° | 120.2° |
CAI | CA0 | HA0 | 119.8° | 119.9° |
CA0 | CAI | HAI | 121.0° | 119.9° |
CAF | CAX | CAE | 121.2° | 120.2° |
CAX | CAF | CAH | 119.9° | 120.2° |
CAX | CAF | HAF | 120.0° | 119.9° |
CAX | CAE | CAG | 118.3° | 120.2° |
CAX | CAE | HAE | 120.8° | 119.9° |
CA2 | CA1 | CAI | 121.4° | 120.1° |
CA1 | CA2 | CBA | 120.9° | 119.9° |
CA2 | CA1 | HA1 | 119.3° | 119.9° |
CA1 | CA2 | HA2 | 119.6° | 120.1° |
CA1 | CAI | HAI | 121.0° | 119.9° |
CAI | CA1 | HA1 | 119.3° | 119.9° |
CAF | CAH | CAY | 119.5° | 119.9° |
CAH | CAF | HAF | 120.0° | 119.9° |
CAF | CAH | HAH | 120.2° | 120.0° |
CA2 | CBA | CAY | 122.2° | 120.1° |
CA2 | CBA | CAJ | 117.9° | 119.7° |
CBA | CA2 | HA2 | 119.6° | 120.0° |
CAH | CAY | CAG | 119.5° | 119.8° |
CAH | CAY | CBA | 122.8° | 120.1° |
CAY | CAH | HAH | 120.3° | 120.1° |
CAE | CAG | CAY | 121.5° | 119.8° |
CAG | CAE | HAE | 120.9° | 119.9° |
CAE | CAG | HAG | 119.2° | 120.1° |
CAG | CAY | CBA | 117.6° | 120.1° |
CAY | CAG | HAG | 119.3° | 120.1° |
CAY | CBA | CAJ | 119.9° | 120.1° |
CBA | CAJ | HAJ | 119.3° | 120.1° |
HAA1 | CAA | HAA2 | 109.5° | 109.5° |
HAA1 | CAA | HAA3 | 109.5° | 109.5° |
HAA2 | CAA | HAA3 | 109.5° | 109.5° |
HAM1 | CAM | HAM2 | 109.5° | 109.5° |
HD21 | CD2 | HD22 | 109.5° | 110.4° |
HB1C | CB | HB2C | 109.5° | 110.8° |
HAL1 | CAL | HAL2 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAA | CAW | CAK | NAQ | 179.5° | 179.7° |
CAA | CAW | CAK | CAZ | 179.8° | 179.9° |
CAA | CAW | NAQ | OAT | 179.7° | 179.9° |
CAW | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
CAW | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
CAW | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
CAA | CAW | CAK | HAK | 0.2° | 0.1° |
CAW | CAK | CAZ | HAK | 180.0° | 180.0° |
CAK | CAW | NAQ | OAT | 0.7° | 0.2° |
CAW | CAK | CAZ | OAT | 0.3° | 0.2° |
CAW | CAK | CAZ | CAM | 179.7° | 180.0° |
CAK | CAW | CAA | HAA1 | 179.5° | 90.0° |
CAK | CAW | CAA | HAA2 | 59.4° | 150.0° |
CAK | CAW | CAA | HAA3 | 60.5° | 29.9° |
NAQ | CAW | CAK | CAZ | 0.7° | 0.2° |
CAW | NAQ | OAT | CAZ | 0.5° | 0.1° |
NAQ | CAW | CAA | HAA1 | 0.0° | 90.3° |
NAQ | CAW | CAA | HAA2 | 120.0° | 29.7° |
NAQ | CAW | CAA | HAA3 | 120.0° | 149.7° |
NAQ | CAW | CAK | HAK | 179.3° | 179.8° |
CAK | CAZ | OAT | NAQ | 0.2° | 0.1° |
CAK | CAZ | OAT | CAM | 179.5° | 179.8° |
CAK | CAZ | CAM | CAU | 67.5° | 90.0° |
CAK | CAZ | CAM | HAM1 | 173.3° | 150.0° |
CAK | CAZ | CAM | HAM2 | 51.7° | 30.0° |
NAQ | OAT | CAZ | CAM | 179.3° | 179.9° |
OAT | CAZ | CAM | CAU | 111.8° | 89.8° |
OAT | CAZ | CAK | HAK | 179.7° | 179.9° |
OAT | CAZ | CAM | HAM1 | 7.4° | 30.2° |
OAT | CAZ | CAM | HAM2 | 128.9° | 150.2° |
CAZ | CAM | CAU | HAM1 | 119.2° | 120.0° |
CAZ | CAM | CAU | HAM2 | 119.3° | 120.0° |
CAZ | CAM | CAU | OAB | 76.0° | 0.0° |
CAZ | CAM | CAU | N | 99.6° | 180.0° |
CAM | CAZ | CAK | HAK | 0.3° | 0.0° |
CAZ | CAM | HAM1 | HAM2 | 122.2° | 120.0° |
CAM | CAU | OAB | N | 176.0° | 179.9° |
CAM | CAU | N | CD2 | 6.6° | 0.1° |
CAM | CAU | N | CA | 174.7° | 179.7° |
CAU | CAM | HAM1 | HAM2 | 122.2° | 120.0° |
OAB | CAU | N | CD2 | 177.6° | 180.0° |
OAB | CAU | N | CA | 1.2° | 0.3° |
OAB | CAU | CAM | HAM1 | 164.8° | 120.0° |
OAB | CAU | CAM | HAM2 | 43.2° | 120.0° |
CAU | N | CD2 | CA | 178.9° | 179.7° |
CAU | N | CD2 | CG | 171.4° | 155.9° |
CAU | N | CA | CB | 169.5° | 178.9° |
CAU | N | CA | C | 52.5° | 61.6° |
N | CAU | CAM | HAM1 | 19.6° | 60.0° |
N | CAU | CAM | HAM2 | 141.1° | 60.0° |
CAU | N | CD2 | HD21 | 52.3° | 37.1° |
CAU | N | CD2 | HD22 | 69.6° | 85.2° |
CAU | N | CA | HA | 70.9° | 59.6° |
N | CD2 | CG | HD21 | 119.0° | 118.8° |
N | CD2 | CG | HD22 | 119.0° | 118.8° |
N | CD2 | CG | OD1 | 91.1° | 81.0° |
N | CD2 | CG | CB | 25.1° | 37.1° |
CD2 | N | CA | CB | 9.4° | 1.4° |
CD2 | N | CA | C | 126.4° | 118.1° |
N | CD2 | HD21 | HD22 | 122.8° | 122.3° |
CD2 | N | CA | HA | 110.2° | 120.7° |
N | CD2 | CG | HG | 145.9° | 155.1° |
CA | N | CD2 | CG | 9.8° | 24.4° |
N | CA | CB | CG | 24.8° | 21.9° |
N | CA | CB | C | 117.2° | 119.5° |
N | CA | CB | HA | 120.1° | 119.4° |
N | CA | C | HA | 123.7° | 121.1° |
N | CA | C | O | 27.5° | 18.6° |
N | CA | C | NAR | 153.5° | 161.5° |
CA | N | CD2 | HD21 | 128.8° | 143.2° |
CA | N | CD2 | HD22 | 109.3° | 94.5° |
N | CA | CB | HB1C | 144.1° | 140.3° |
N | CA | CB | HB2C | 94.5° | 96.4° |
CD2 | CG | OD1 | CB | 113.6° | 112.2° |
CD2 | CG | OD1 | HG | 122.0° | 123.9° |
CD2 | CG | CB | HG | 120.8° | 118.1° |
CD2 | CG | CB | CA | 31.4° | 35.4° |
CG | CD2 | HD21 | HD22 | 122.8° | 122.3° |
CD2 | CG | OD1 | HD1 | 180.0° | 61.4° |
CD2 | CG | CB | HB1C | 150.8° | 153.9° |
CD2 | CG | CB | HB2C | 87.9° | 82.8° |
OD1 | CG | CB | HG | 125.3° | 123.8° |
OD1 | CG | CB | CA | 82.4° | 82.8° |
OD1 | CG | CD2 | HD21 | 28.0° | 37.7° |
OD1 | CG | CD2 | HD22 | 149.9° | 160.1° |
OD1 | CG | CB | HB1C | 36.9° | 35.8° |
OD1 | CG | CB | HB2C | 158.3° | 159.0° |
CG | CB | CA | HB1C | 119.3° | 118.4° |
CG | CB | CA | HB2C | 119.3° | 118.3° |
CG | CB | CA | C | 141.9° | 141.3° |
CB | CG | CD2 | HD21 | 144.1° | 155.9° |
CB | CG | CD2 | HD22 | 94.0° | 81.8° |
CG | CB | CA | HA | 95.3° | 97.5° |
CB | CG | OD1 | HD1 | 66.4° | 173.6° |
CG | CB | HB1C | HB2C | 122.0° | 123.2° |
CB | CA | C | HA | 122.7° | 121.0° |
CB | CA | C | O | 86.0° | 99.3° |
CB | CA | C | NAR | 93.0° | 80.6° |
CA | CB | CG | HG | 152.3° | 153.4° |
CA | CB | HB1C | HB2C | 122.0° | 123.1° |
CA | C | O | NAR | 178.9° | 179.9° |
CA | C | NAR | CAL | 177.1° | 180.0° |
C | CA | CB | HB1C | 98.7° | 100.2° |
C | CA | CB | HB2C | 22.6° | 23.0° |
CA | C | NAR | HAR | 3.0° | 0.1° |
O | C | NAR | CAL | 1.9° | 0.1° |
O | C | CA | HA | 151.3° | 139.7° |
O | C | NAR | HAR | 178.1° | 180.0° |
C | NAR | CAL | HAR | 180.0° | 179.9° |
C | NAR | CAL | CAX | 93.2° | 180.0° |
NAR | C | CA | HA | 29.8° | 40.4° |
C | NAR | CAL | HAL1 | 26.6° | 60.0° |
C | NAR | CAL | HAL2 | 146.9° | 59.9° |
NAR | CAL | CAX | HAL1 | 119.8° | 119.9° |
NAR | CAL | CAX | HAL2 | 119.8° | 120.1° |
NAR | CAL | CAX | CAF | 15.4° | 90.0° |
NAR | CAL | CAX | CAE | 164.3° | 90.3° |
NAR | CAL | HAL1 | HAL2 | 120.5° | 120.0° |
CAL | CAX | CAF | CAE | 179.7° | 179.8° |
CAL | CAX | CAF | CAH | 178.3° | 180.0° |
CAL | CAX | CAE | CAG | 179.0° | 180.0° |
CAX | CAL | NAR | HAR | 86.8° | 0.1° |
CAX | CAL | HAL1 | HAL2 | 120.5° | 120.0° |
CAL | CAX | CAF | HAF | 1.7° | 0.1° |
CAL | CAX | CAE | HAE | 1.0° | 0.1° |
CAJ | CA0 | CAI | HA0 | 180.0° | 179.7° |
CAJ | CA0 | CAI | CA1 | 0.9° | 0.1° |
CA0 | CAJ | CBA | CA2 | 0.9° | 0.0° |
CA0 | CAJ | CBA | CAY | 179.0° | 180.0° |
CA0 | CAJ | CBA | HAJ | 180.0° | 179.9° |
CAJ | CA0 | CAI | HAI | 179.1° | 180.0° |
CA0 | CAI | CA1 | CA2 | 0.4° | 0.1° |
CA0 | CAI | CA1 | HAI | 180.0° | 179.9° |
CAI | CA0 | CAJ | CBA | 1.2° | 0.0° |
CAI | CA0 | CAJ | HAJ | 178.8° | 179.9° |
CA0 | CAI | CA1 | HA1 | 179.6° | 180.0° |
CAX | CAF | CAH | HAF | 180.0° | 179.9° |
CAX | CAF | CAH | CAY | 0.7° | 0.0° |
CAF | CAX | CAE | CAG | 1.2° | 0.2° |
CAF | CAX | CAL | HAL1 | 135.2° | 30.0° |
CAF | CAX | CAL | HAL2 | 104.4° | 149.9° |
CAF | CAX | CAE | HAE | 178.8° | 179.7° |
CAX | CAF | CAH | HAH | 179.3° | 179.9° |
CAE | CAX | CAF | CAH | 2.0° | 0.3° |
CAX | CAE | CAG | HAE | 180.0° | 179.9° |
CAX | CAE | CAG | CAY | 0.7° | 0.1° |
CAE | CAX | CAL | HAL1 | 44.5° | 149.8° |
CAE | CAX | CAL | HAL2 | 75.8° | 29.8° |
CAE | CAX | CAF | HAF | 178.0° | 179.8° |
CAX | CAE | CAG | HAG | 179.3° | 180.0° |
CA2 | CA1 | CAI | HA1 | 180.0° | 179.9° |
CA1 | CA2 | CBA | HA2 | 180.0° | 180.0° |
CA1 | CA2 | CBA | CAY | 178.5° | 180.0° |
CA1 | CA2 | CBA | CAJ | 0.4° | 0.0° |
CA2 | CA1 | CAI | HAI | 179.6° | 180.0° |
CAI | CA1 | CA2 | CBA | 0.2° | 0.0° |
CA1 | CAI | CA0 | HA0 | 179.1° | 179.7° |
CAI | CA1 | CA2 | HA2 | 179.8° | 180.0° |
CAF | CAH | CAY | HAH | 180.0° | 179.9° |
CAF | CAH | CAY | CAG | 1.2° | 0.3° |
CAF | CAH | CAY | CBA | 178.5° | 180.0° |
CA2 | CBA | CAY | CAH | 35.4° | 180.0° |
CA2 | CBA | CAY | CAG | 142.0° | 0.3° |
CA2 | CBA | CAY | CAJ | 178.0° | 179.9° |
CA2 | CBA | CAJ | HAJ | 179.1° | 180.0° |
CBA | CA2 | CA1 | HA1 | 179.8° | 179.9° |
CAH | CAY | CAG | CAE | 1.9° | 0.3° |
CAH | CAY | CAG | CBA | 177.5° | 179.7° |
CAH | CAY | CBA | CAJ | 146.6° | 0.1° |
CAY | CAH | CAF | HAF | 179.2° | 179.9° |
CAH | CAY | CAG | HAG | 178.1° | 179.7° |
CAE | CAG | CAY | HAG | 180.0° | 179.9° |
CAE | CAG | CAY | CBA | 179.4° | 180.0° |
CAG | CAY | CBA | CAJ | 36.0° | 179.8° |
CAY | CAG | CAE | HAE | 179.3° | 180.0° |
CAG | CAY | CAH | HAH | 178.8° | 179.8° |
CAY | CBA | CAJ | HAJ | 1.0° | 0.1° |
CAY | CBA | CA2 | HA2 | 1.5° | 0.0° |
CBA | CAY | CAH | HAH | 1.5° | 0.1° |
CBA | CAY | CAG | HAG | 0.6° | 0.0° |
CBA | CAJ | CA0 | HA0 | 178.8° | 179.7° |
CAJ | CBA | CA2 | HA2 | 179.6° | 180.0° |
HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
HD21 | CD2 | CG | HG | 95.0° | 86.1° |
HD22 | CD2 | CG | HG | 26.9° | 36.3° |
HA | CA | CB | HB1C | 24.0° | 21.0° |
HA | CA | CB | HB2C | 145.4° | 144.2° |
HG | CG | OD1 | HD1 | 58.0° | 62.5° |
HG | CG | CB | HB1C | 88.4° | 88.0° |
HG | CG | CB | HB2C | 33.0° | 35.2° |
HAR | NAR | CAL | HAL1 | 153.4° | 120.1° |
HAR | NAR | CAL | HAL2 | 33.1° | 120.0° |
HA0 | CA0 | CAJ | HAJ | 1.2° | 0.3° |
HA0 | CA0 | CAI | HAI | 0.9° | 0.2° |
HAI | CAI | CA1 | HA1 | 0.4° | 0.1° |
HAF | CAF | CAH | HAH | 0.8° | 0.0° |
HAE | CAE | CAG | HAG | 0.7° | 0.1° |
HA1 | CA1 | CA2 | HA2 | 0.2° | 0.0° |