DXY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OE2 | CD | doub | 1.21Å | 1.26Å | |
CD | OE1 | sing | 1.34Å | 1.27Å | |
CD | CG | sing | 1.51Å | 1.57Å | |
CG | CB | sing | 1.53Å | 1.55Å | |
CB | CA | sing | 1.53Å | 1.55Å | |
CAA | SAV | sing | 1.81Å | 1.80Å | |
CA | N | sing | 1.47Å | 1.48Å | |
CA | C | sing | 1.51Å | 1.53Å | |
SAV | CBG | sing | 1.81Å | 1.85Å | |
OAF | CAY | doub | 1.22Å | 1.23Å | |
N | CAY | sing | 1.35Å | 1.34Å | |
CAY | CBB | sing | 1.48Å | 1.50Å | |
CBB | CAJ | doub | 1.40Å | 1.36Å | Aromatic |
CBB | CAK | sing | 1.40Å | 1.39Å | Aromatic |
CAJ | CAL | sing | 1.38Å | 1.38Å | Aromatic |
CAK | CAM | doub | 1.38Å | 1.40Å | Aromatic |
CAL | CBC | doub | 1.38Å | 1.39Å | Aromatic |
CAM | CBC | sing | 1.38Å | 1.39Å | Aromatic |
O | C | doub | 1.21Å | 1.24Å | |
C | OXT | sing | 1.34Å | 1.24Å | |
CBC | CBG | sing | 1.51Å | 1.56Å | |
CBG | CAQ | sing | 1.53Å | 1.55Å | |
CAQ | CAN | sing | 1.53Å | 1.52Å | |
CAN | CAP | sing | 1.53Å | 1.57Å | |
CAP | CBD | sing | 1.51Å | 1.51Å | |
NAC | CBA | sing | 1.38Å | 1.34Å | |
CBD | CBA | doub | 1.39Å | 1.42Å | |
CBD | CBE | sing | 1.40Å | 1.39Å | |
CBA | NAS | sing | 1.34Å | 1.33Å | |
CBE | OAG | doub | 1.22Å | 1.23Å | |
CBE | NAU | sing | 1.35Å | 1.35Å | |
NAS | CAZ | doub | 1.32Å | 1.35Å | |
NAU | CAZ | sing | 1.36Å | 1.38Å | |
CAZ | NAB | sing | 1.37Å | 1.31Å | |
CG | H1G | sing | 1.09Å | 1.10Å | |
CG | H2G | sing | 1.09Å | 1.10Å | |
CB | H1B | sing | 1.09Å | 1.10Å | |
CB | H2B | sing | 1.09Å | 1.10Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
N | HN | sing | 0.97Å | 1.00Å | |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAM | HAM | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CBG | HBG | sing | 1.09Å | 1.10Å | |
CAA | H1AA | sing | 1.09Å | 1.10Å | |
CAA | H2AA | sing | 1.09Å | 1.10Å | |
CAA | H3AA | sing | 1.09Å | 1.10Å | |
CAQ | H1AQ | sing | 1.09Å | 1.10Å | |
CAQ | H2AQ | sing | 1.09Å | 1.10Å | |
CAN | H1AN | sing | 1.09Å | 1.10Å | |
CAN | H2AN | sing | 1.09Å | 1.10Å | |
CAP | H1AP | sing | 1.09Å | 1.10Å | |
CAP | H2AP | sing | 1.09Å | 1.10Å | |
NAU | HNAU | sing | 0.97Å | 1.00Å | |
NAB | H1AB | sing | 0.97Å | 1.00Å | |
NAB | H2AB | sing | 0.97Å | 1.00Å | |
NAC | H1AC | sing | 0.97Å | 1.00Å | |
NAC | H2AC | sing | 0.97Å | 1.00Å | |
OE1 | HOE1 | sing | 0.97Å | 0.95Å | |
OXT | HOXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OE2 | CD | OE1 | 124.8° | 120.0° |
OE2 | CD | CG | 115.8° | 120.0° |
OE1 | CD | CG | 119.4° | 120.0° |
CD | OE1 | HOE1 | 109.5° | 117.0° |
CD | CG | CB | 111.8° | 109.5° |
CD | CG | H1G | 108.7° | 109.4° |
CD | CG | H2G | 108.2° | 109.5° |
CG | CB | CA | 115.7° | 109.4° |
CB | CG | H1G | 108.7° | 109.5° |
CB | CG | H2G | 108.1° | 109.5° |
CG | CB | H1B | 107.4° | 109.5° |
CG | CB | H2B | 106.0° | 109.5° |
CB | CA | N | 113.8° | 109.5° |
CB | CA | C | 106.9° | 109.5° |
CA | CB | H1B | 107.4° | 109.5° |
CA | CB | H2B | 106.0° | 109.5° |
CB | CA | HA | 109.7° | 109.5° |
CAA | SAV | CBG | 108.0° | 103.0° |
SAV | CAA | H1AA | 109.5° | 109.5° |
SAV | CAA | H2AA | 109.5° | 109.5° |
SAV | CAA | H3AA | 109.4° | 109.4° |
N | CA | C | 113.4° | 109.5° |
CA | N | CAY | 121.0° | 120.0° |
N | CA | HA | 102.7° | 109.4° |
CA | N | HN | 119.5° | 119.9° |
CA | C | O | 116.2° | 120.0° |
CA | C | OXT | 119.0° | 120.0° |
C | CA | HA | 110.2° | 109.5° |
SAV | CBG | CBC | 111.7° | 109.4° |
SAV | CBG | CAQ | 113.5° | 109.5° |
SAV | CBG | HBG | 108.3° | 109.5° |
OAF | CAY | N | 122.6° | 120.0° |
OAF | CAY | CBB | 122.7° | 120.0° |
N | CAY | CBB | 114.5° | 120.0° |
CAY | N | HN | 119.5° | 120.0° |
CAY | CBB | CAJ | 114.5° | 120.1° |
CAY | CBB | CAK | 127.0° | 120.2° |
CAJ | CBB | CAK | 118.4° | 119.7° |
CBB | CAJ | CAL | 120.3° | 119.9° |
CBB | CAJ | HAJ | 119.8° | 120.1° |
CBB | CAK | CAM | 121.6° | 119.9° |
CBB | CAK | HAK | 119.2° | 120.0° |
CAJ | CAL | CBC | 122.7° | 120.1° |
CAL | CAJ | HAJ | 119.9° | 120.1° |
CAJ | CAL | HAL | 118.7° | 119.9° |
CAK | CAM | CBC | 119.5° | 120.1° |
CAM | CAK | HAK | 119.2° | 120.1° |
CAK | CAM | HAM | 120.2° | 119.9° |
CAL | CBC | CAM | 117.5° | 120.3° |
CAL | CBC | CBG | 113.7° | 119.9° |
CBC | CAL | HAL | 118.6° | 119.9° |
CAM | CBC | CBG | 128.8° | 119.9° |
CBC | CAM | HAM | 120.3° | 119.9° |
O | C | OXT | 124.7° | 120.0° |
C | OXT | HOXT | 109.5° | 117.0° |
CBC | CBG | CAQ | 117.5° | 109.5° |
CBC | CBG | HBG | 103.3° | 109.5° |
CBG | CAQ | CAN | 114.2° | 109.5° |
CAQ | CBG | HBG | 100.9° | 109.5° |
CBG | CAQ | H1AQ | 107.9° | 109.5° |
CBG | CAQ | H2AQ | 106.8° | 109.4° |
CAQ | CAN | CAP | 119.1° | 109.5° |
CAN | CAQ | H1AQ | 107.9° | 109.5° |
CAN | CAQ | H2AQ | 106.9° | 109.5° |
CAQ | CAN | H1AN | 106.4° | 109.5° |
CAQ | CAN | H2AN | 104.1° | 109.5° |
CAN | CAP | CBD | 104.1° | 109.5° |
CAP | CAN | H1AN | 106.4° | 109.4° |
CAP | CAN | H2AN | 104.2° | 109.5° |
CAN | CAP | H1AP | 111.3° | 109.4° |
CAN | CAP | H2AP | 112.5° | 109.4° |
CAP | CBD | CBA | 121.5° | 120.6° |
CAP | CBD | CBE | 121.7° | 120.7° |
CBD | CAP | H1AP | 111.3° | 109.5° |
CBD | CAP | H2AP | 112.5° | 109.5° |
NAC | CBA | CBD | 119.9° | 120.1° |
NAC | CBA | NAS | 118.9° | 120.1° |
CBA | NAC | H1AC | 109.5° | 119.9° |
CBA | NAC | H2AC | 109.4° | 120.0° |
CBA | CBD | CBE | 116.7° | 118.7° |
CBD | CBA | NAS | 121.2° | 119.7° |
CBD | CBE | OAG | 122.4° | 120.5° |
CBD | CBE | NAU | 120.7° | 118.9° |
CBA | NAS | CAZ | 121.1° | 121.2° |
OAG | CBE | NAU | 116.9° | 120.6° |
CBE | NAU | CAZ | 120.8° | 120.2° |
CBE | NAU | HNAU | 119.6° | 119.9° |
NAS | CAZ | NAU | 119.5° | 121.3° |
NAS | CAZ | NAB | 123.1° | 119.3° |
NAU | CAZ | NAB | 117.4° | 119.3° |
CAZ | NAU | HNAU | 119.6° | 119.9° |
CAZ | NAB | H1AB | 109.7° | 120.0° |
CAZ | NAB | H2AB | 125.1° | 120.0° |
H1G | CG | H2G | 111.3° | 109.5° |
H1B | CB | H2B | 114.5° | 109.4° |
H1AA | CAA | H2AA | 109.5° | 109.5° |
H1AA | CAA | H3AA | 109.4° | 109.5° |
H2AA | CAA | H3AA | 109.5° | 109.4° |
H1AQ | CAQ | H2AQ | 113.3° | 109.5° |
H1AN | CAN | H2AN | 117.3° | 109.4° |
H1AP | CAP | H2AP | 105.3° | 109.5° |
H1AB | NAB | H2AB | 125.2° | 119.9° |
H1AC | NAC | H2AC | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OE2 | CD | OE1 | CG | 179.7° | 180.0° |
OE2 | CD | CG | CB | 98.8° | 0.0° |
OE2 | CD | CG | H1G | 141.2° | 120.0° |
OE2 | CD | CG | H2G | 20.2° | 120.0° |
OE2 | CD | OE1 | HOE1 | 0.0° | 0.0° |
OE1 | CD | CG | CB | 80.9° | 180.0° |
OE1 | CD | CG | H1G | 39.1° | 60.0° |
OE1 | CD | CG | H2G | 160.1° | 60.0° |
CD | CG | CB | H1G | 120.0° | 119.9° |
CD | CG | CB | H2G | 119.0° | 120.0° |
CD | CG | CB | CA | 162.2° | 180.0° |
CD | CG | H1G | H2G | 119.1° | 120.0° |
CD | CG | CB | H1B | 77.8° | 60.0° |
CD | CG | CB | H2B | 45.0° | 60.0° |
CG | CD | OE1 | HOE1 | 179.7° | 180.0° |
CG | CB | CA | H1B | 120.0° | 120.1° |
CG | CB | CA | H2B | 117.2° | 120.0° |
CG | CB | CA | N | 14.8° | 65.0° |
CG | CB | CA | C | 140.9° | 175.0° |
CB | CG | H1G | H2G | 119.0° | 120.1° |
CG | CB | H1B | H2B | 117.4° | 120.1° |
CG | CB | CA | HA | 99.6° | 55.0° |
CB | CA | N | C | 122.6° | 120.0° |
CB | CA | N | HA | 118.5° | 120.0° |
CB | CA | C | HA | 119.2° | 120.0° |
CB | CA | N | CAY | 130.9° | 155.0° |
CB | CA | C | O | 78.2° | 120.0° |
CB | CA | C | OXT | 99.4° | 60.0° |
CA | CB | CG | H1G | 42.2° | 60.0° |
CA | CB | CG | H2G | 78.8° | 60.0° |
CA | CB | H1B | H2B | 117.4° | 119.9° |
CB | CA | N | HN | 49.1° | 25.0° |
CAA | SAV | CBG | CBC | 21.2° | 66.2° |
CAA | SAV | CBG | CAQ | 114.5° | 173.8° |
CAA | SAV | CBG | HBG | 134.3° | 53.7° |
SAV | CAA | H1AA | H2AA | 120.0° | 120.0° |
SAV | CAA | H1AA | H3AA | 120.0° | 120.0° |
SAV | CAA | H2AA | H3AA | 120.0° | 119.9° |
N | CA | C | HA | 114.5° | 119.9° |
CA | N | CAY | OAF | 2.9° | 0.0° |
CA | N | CAY | HN | 180.0° | 180.0° |
CA | N | CAY | CBB | 178.2° | 180.0° |
N | CA | C | O | 155.4° | 0.0° |
N | CA | C | OXT | 27.0° | 180.0° |
N | CA | CB | H1B | 134.8° | 175.0° |
N | CA | CB | H2B | 102.3° | 55.0° |
C | CA | N | CAY | 106.5° | 85.0° |
CA | C | O | OXT | 177.4° | 180.0° |
C | CA | CB | H1B | 99.1° | 54.9° |
C | CA | CB | H2B | 23.8° | 65.0° |
C | CA | N | HN | 73.5° | 95.0° |
CA | C | OXT | HOXT | 177.4° | 180.0° |
SAV | CBG | CBC | CAL | 115.2° | 59.8° |
SAV | CBG | CBC | CAM | 63.4° | 120.0° |
SAV | CBG | CBC | CAQ | 133.8° | 120.0° |
SAV | CBG | CBC | HBG | 116.2° | 120.0° |
SAV | CBG | CAQ | HBG | 115.7° | 120.0° |
SAV | CBG | CAQ | CAN | 176.0° | 65.8° |
CBG | SAV | CAA | H1AA | 139.2° | 173.9° |
CBG | SAV | CAA | H2AA | 19.1° | 53.9° |
CBG | SAV | CAA | H3AA | 100.9° | 66.0° |
SAV | CBG | CAQ | H1AQ | 64.1° | 54.2° |
SAV | CBG | CAQ | H2AQ | 58.0° | 174.2° |
OAF | CAY | N | CBB | 175.3° | 180.0° |
OAF | CAY | CBB | CAJ | 177.1° | 0.0° |
OAF | CAY | CBB | CAK | 3.7° | 179.7° |
OAF | CAY | N | HN | 177.1° | 180.0° |
N | CAY | CBB | CAJ | 1.9° | 180.0° |
N | CAY | CBB | CAK | 179.0° | 0.3° |
CAY | N | CA | HA | 12.4° | 35.0° |
CAY | CBB | CAJ | CAK | 179.2° | 179.7° |
CAY | CBB | CAJ | CAL | 179.4° | 180.0° |
CAY | CBB | CAK | CAM | 179.5° | 180.0° |
CBB | CAY | N | HN | 1.8° | 0.0° |
CAY | CBB | CAK | HAK | 0.5° | 0.1° |
CAY | CBB | CAJ | HAJ | 0.6° | 0.0° |
CBB | CAJ | CAL | HAJ | 180.0° | 179.9° |
CAJ | CBB | CAK | CAM | 1.4° | 0.3° |
CBB | CAJ | CAL | CBC | 0.9° | 0.0° |
CAJ | CBB | CAK | HAK | 178.6° | 179.8° |
CBB | CAJ | CAL | HAL | 179.1° | 179.9° |
CAK | CBB | CAJ | CAL | 1.4° | 0.3° |
CBB | CAK | CAM | HAK | 180.0° | 179.9° |
CBB | CAK | CAM | CBC | 0.8° | 0.0° |
CBB | CAK | CAM | HAM | 179.2° | 180.0° |
CAK | CBB | CAJ | HAJ | 178.6° | 179.7° |
CAJ | CAL | CBC | HAL | 180.0° | 179.9° |
CAJ | CAL | CBC | CAM | 0.2° | 0.3° |
CAJ | CAL | CBC | CBG | 179.0° | 180.0° |
CAK | CAM | CBC | CAL | 0.2° | 0.3° |
CAK | CAM | CBC | HAM | 180.0° | 180.0° |
CAK | CAM | CBC | CBG | 178.7° | 180.0° |
CAL | CBC | CAM | CBG | 178.5° | 179.8° |
CAL | CBC | CBG | CAQ | 111.1° | 60.2° |
CAL | CBC | CAM | HAM | 179.8° | 179.7° |
CBC | CAL | CAJ | HAJ | 179.1° | 179.9° |
CAL | CBC | CBG | HBG | 1.1° | 179.7° |
CAM | CBC | CBG | CAQ | 70.3° | 120.0° |
CBC | CAM | CAK | HAK | 179.2° | 179.9° |
CAM | CBC | CAL | HAL | 179.8° | 179.7° |
CAM | CBC | CBG | HBG | 179.6° | 0.0° |
O | C | CA | HA | 40.9° | 120.0° |
O | C | OXT | HOXT | 0.0° | 0.0° |
OXT | C | CA | HA | 141.4° | 60.0° |
CBC | CBG | CAQ | HBG | 111.4° | 120.0° |
CBC | CBG | CAQ | CAN | 43.0° | 174.3° |
CBG | CBC | CAM | HAM | 1.3° | 0.0° |
CBG | CBC | CAL | HAL | 1.0° | 0.1° |
CBC | CBG | CAQ | H1AQ | 163.0° | 65.7° |
CBC | CBG | CAQ | H2AQ | 74.9° | 54.3° |
CBG | CAQ | CAN | H1AQ | 120.0° | 120.0° |
CBG | CAQ | CAN | H2AQ | 117.9° | 120.0° |
CBG | CAQ | CAN | CAP | 139.6° | 174.8° |
CBG | CAQ | H1AQ | H2AQ | 118.0° | 120.0° |
CBG | CAQ | CAN | H1AN | 100.4° | 54.9° |
CBG | CAQ | CAN | H2AN | 24.2° | 65.1° |
CAQ | CAN | CAP | H1AN | 120.0° | 120.0° |
CAQ | CAN | CAP | H2AN | 115.4° | 120.0° |
CAQ | CAN | CAP | CBD | 162.4° | 180.0° |
CAN | CAQ | CBG | HBG | 68.4° | 54.2° |
CAN | CAQ | H1AQ | H2AQ | 118.1° | 120.0° |
CAQ | CAN | H1AN | H2AN | 116.0° | 120.0° |
CAQ | CAN | CAP | H1AP | 77.6° | 60.0° |
CAQ | CAN | CAP | H2AP | 40.4° | 60.0° |
CAN | CAP | CBD | H1AP | 120.0° | 120.0° |
CAN | CAP | CBD | H2AP | 122.0° | 120.0° |
CAN | CAP | CBD | CBA | 79.4° | 95.0° |
CAN | CAP | CBD | CBE | 97.5° | 84.7° |
CAP | CAN | CAQ | H1AQ | 19.6° | 65.1° |
CAP | CAN | CAQ | H2AQ | 102.5° | 54.9° |
CAP | CAN | H1AN | H2AN | 116.1° | 120.0° |
CAN | CAP | H1AP | H2AP | 122.2° | 119.9° |
CAP | CBD | CBA | NAC | 1.4° | 0.0° |
CAP | CBD | CBA | CBE | 177.0° | 179.8° |
CAP | CBD | CBA | NAS | 176.2° | 179.8° |
CAP | CBD | CBE | OAG | 3.6° | 0.0° |
CAP | CBD | CBE | NAU | 177.7° | 180.0° |
CBD | CAP | CAN | H1AN | 42.4° | 60.0° |
CBD | CAP | CAN | H2AN | 82.2° | 60.0° |
CBD | CAP | H1AP | H2AP | 122.2° | 120.1° |
NAC | CBA | CBD | NAS | 177.6° | 179.8° |
NAC | CBA | CBD | CBE | 178.4° | 179.8° |
NAC | CBA | NAS | CAZ | 179.1° | 179.8° |
CBA | NAC | H1AC | H2AC | 120.0° | 179.9° |
CBA | CBD | CBE | OAG | 179.4° | 179.7° |
CBA | CBD | CBE | NAU | 0.7° | 0.2° |
CBD | CBA | NAS | CAZ | 1.5° | 0.5° |
CBA | CBD | CAP | H1AP | 40.6° | 25.0° |
CBA | CBD | CAP | H2AP | 158.6° | 145.0° |
CBD | CBA | NAC | H1AC | 155.7° | 0.0° |
CBD | CBA | NAC | H2AC | 84.3° | 180.0° |
CBE | CBD | CBA | NAS | 0.8° | 0.5° |
CBD | CBE | OAG | NAU | 178.7° | 180.0° |
CBD | CBE | NAU | CAZ | 1.6° | 0.0° |
CBE | CBD | CAP | H1AP | 142.5° | 155.3° |
CBE | CBD | CAP | H2AP | 24.6° | 35.2° |
CBD | CBE | NAU | HNAU | 178.4° | 180.0° |
CBA | NAS | CAZ | NAU | 0.5° | 0.2° |
CBA | NAS | CAZ | NAB | 179.7° | 179.8° |
NAS | CBA | NAC | H1AC | 26.6° | 179.8° |
NAS | CBA | NAC | H2AC | 93.4° | 0.3° |
OAG | CBE | NAU | CAZ | 179.6° | 180.0° |
OAG | CBE | NAU | HNAU | 0.4° | 0.0° |
CBE | NAU | CAZ | NAS | 1.0° | 0.1° |
CBE | NAU | CAZ | HNAU | 180.0° | 180.0° |
CBE | NAU | CAZ | NAB | 178.8° | 180.0° |
NAS | CAZ | NAU | NAB | 179.8° | 180.0° |
NAS | CAZ | NAU | HNAU | 179.0° | 179.9° |
NAS | CAZ | NAB | H1AB | 0.1° | 179.9° |
NAS | CAZ | NAB | H2AB | 179.9° | 0.0° |
NAU | CAZ | NAB | H1AB | 179.9° | 0.0° |
NAU | CAZ | NAB | H2AB | 0.1° | 180.0° |
NAB | CAZ | NAU | HNAU | 1.2° | 0.0° |
CAZ | NAB | H1AB | H2AB | 180.0° | 179.9° |
H1G | CG | CB | H1B | 162.1° | 179.9° |
H1G | CG | CB | H2B | 75.0° | 59.9° |
H2G | CG | CB | H1B | 41.2° | 60.0° |
H2G | CG | CB | H2B | 164.0° | 180.0° |
H1B | CB | CA | HA | 20.4° | 65.1° |
H2B | CB | CA | HA | 143.2° | 175.0° |
HA | CA | N | HN | 167.6° | 145.0° |
HAK | CAK | CAM | HAM | 0.8° | 0.1° |
HAJ | CAJ | CAL | HAL | 0.9° | 0.0° |
HBG | CBG | CAQ | H1AQ | 51.6° | 174.2° |
HBG | CBG | CAQ | H2AQ | 173.7° | 65.7° |
H1AA | CAA | H2AA | H3AA | 120.0° | 120.1° |
H1AQ | CAQ | CAN | H1AN | 139.6° | 174.9° |
H1AQ | CAQ | CAN | H2AN | 95.8° | 54.9° |
H2AQ | CAQ | CAN | H1AN | 17.5° | 65.1° |
H2AQ | CAQ | CAN | H2AN | 142.1° | 174.9° |
H1AN | CAN | CAP | H1AP | 162.4° | 180.0° |
H1AN | CAN | CAP | H2AP | 79.6° | 60.0° |
H2AN | CAN | CAP | H1AP | 37.8° | 60.1° |
H2AN | CAN | CAP | H2AP | 155.7° | 180.0° |