ZAI
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAR | PAO | doub | 1.48Å | 1.57Å | |
CBD | SBE | sing | 1.81Å | 1.84Å | |
CBD | CAZ | sing | 1.53Å | 1.44Å | |
OAP | PAO | sing | 1.61Å | 1.55Å | |
OBB | CBA | doub | 1.21Å | 1.31Å | |
PAO | OAQ | sing | 1.61Å | 1.52Å | |
PAO | OAN | sing | 1.61Å | 1.59Å | |
CAZ | CBA | sing | 1.51Å | 1.62Å | |
CAZ | NAT | sing | 1.47Å | 1.44Å | |
CBA | OBC | sing | 1.34Å | 1.20Å | |
CAM | OAN | sing | 1.43Å | 1.47Å | |
CAM | CAF | sing | 1.51Å | 1.50Å | |
NAT | CAJ | sing | 1.47Å | 1.55Å | |
CAJ | NAS | sing | 1.47Å | 1.48Å | |
CAJ | CAD | sing | 1.51Å | 1.48Å | |
CAU | NAS | sing | 1.47Å | 1.47Å | |
CAU | CAV | sing | 1.53Å | 1.61Å | |
CAF | CAD | sing | 1.39Å | 1.38Å | Aromatic |
CAF | CAG | doub | 1.38Å | 1.32Å | Aromatic |
CAD | CAE | doub | 1.39Å | 1.42Å | Aromatic |
N | CA | sing | 1.47Å | 1.50Å | |
CAG | NAH | sing | 1.32Å | 1.40Å | Aromatic |
CAW | CAV | sing | 1.53Å | 1.52Å | |
CAW | CB | sing | 1.53Å | 1.60Å | |
CAE | OAK | sing | 1.36Å | 1.36Å | |
CAE | CAI | sing | 1.39Å | 1.42Å | Aromatic |
CA | CB | sing | 1.53Å | 1.55Å | |
CA | C | sing | 1.51Å | 1.53Å | |
NAH | CAI | doub | 1.32Å | 1.33Å | Aromatic |
CAI | CAL | sing | 1.51Å | 1.52Å | |
C | O | doub | 1.21Å | 1.22Å | |
OAP | H1 | sing | 0.97Å | 0.95Å | |
OAQ | H2 | sing | 0.97Å | 0.95Å | |
CAM | H3 | sing | 1.09Å | 1.10Å | |
CAM | H4 | sing | 1.09Å | 1.10Å | |
CAG | H5 | sing | 1.08Å | 1.08Å | |
CAL | H6 | sing | 1.09Å | 1.10Å | |
CAL | H7 | sing | 1.09Å | 1.10Å | |
CAL | H8 | sing | 1.09Å | 1.10Å | |
OAK | H9 | sing | 0.97Å | 0.95Å | |
CAJ | H10 | sing | 1.09Å | 1.10Å | |
NAT | H11 | sing | 1.01Å | 1.00Å | |
CAZ | H13 | sing | 1.09Å | 1.10Å | |
OBC | H14 | sing | 0.97Å | 0.95Å | |
CBD | H15 | sing | 1.09Å | 1.10Å | |
CBD | H16 | sing | 1.09Å | 1.10Å | |
SBE | H17 | sing | 1.34Å | 1.30Å | |
NAS | H18 | sing | 1.01Å | 1.00Å | |
CAU | H20 | sing | 1.09Å | 1.10Å | |
CAU | H21 | sing | 1.09Å | 1.10Å | |
CAV | H22 | sing | 1.09Å | 1.10Å | |
CAV | H23 | sing | 1.09Å | 1.10Å | |
CAW | H24 | sing | 1.09Å | 1.10Å | |
CAW | H25 | sing | 1.09Å | 1.10Å | |
CB | H26 | sing | 1.09Å | 1.10Å | |
CB | H27 | sing | 1.09Å | 1.10Å | |
CA | H28 | sing | 1.09Å | 1.10Å | |
N | H30 | sing | 1.01Å | 1.00Å | |
N | H31 | sing | 1.01Å | 1.00Å | |
C | OXT | sing | 1.34Å | 1.42Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAR | PAO | OAP | 110.1° | 109.5° |
OAR | PAO | OAQ | 111.8° | 109.5° |
OAR | PAO | OAN | 105.6° | 109.5° |
SBE | CBD | CAZ | 100.7° | 109.5° |
SBE | CBD | H15 | 111.6° | 109.5° |
SBE | CBD | H16 | 111.6° | 109.5° |
CBD | SBE | H17 | 102.0° | 103.0° |
CBD | CAZ | CBA | 114.1° | 109.5° |
CBD | CAZ | NAT | 115.7° | 109.5° |
CBD | CAZ | H13 | 107.1° | 109.5° |
CAZ | CBD | H15 | 111.6° | 109.5° |
CAZ | CBD | H16 | 111.6° | 109.4° |
OAP | PAO | OAQ | 115.0° | 109.5° |
OAP | PAO | OAN | 111.1° | 109.5° |
PAO | OAP | H1 | 109.5° | 114.0° |
OBB | CBA | CAZ | 127.1° | 120.0° |
OBB | CBA | OBC | 123.4° | 120.1° |
OAQ | PAO | OAN | 102.7° | 109.4° |
PAO | OAQ | H2 | 109.5° | 114.0° |
PAO | OAN | CAM | 118.2° | 123.1° |
CBA | CAZ | NAT | 107.0° | 109.4° |
CAZ | CBA | OBC | 109.1° | 120.0° |
CBA | CAZ | H13 | 105.2° | 109.4° |
CAZ | NAT | CAJ | 131.2° | 111.0° |
CAZ | NAT | H11 | 103.8° | 111.0° |
NAT | CAZ | H13 | 107.1° | 109.5° |
CBA | OBC | H14 | 109.5° | 117.0° |
OAN | CAM | CAF | 105.9° | 109.5° |
OAN | CAM | H3 | 110.4° | 109.5° |
OAN | CAM | H4 | 110.4° | 109.4° |
CAM | CAF | CAD | 123.0° | 120.4° |
CAM | CAF | CAG | 118.6° | 120.4° |
CAF | CAM | H3 | 110.4° | 109.5° |
CAF | CAM | H4 | 110.4° | 109.5° |
NAT | CAJ | NAS | 101.5° | 109.4° |
NAT | CAJ | CAD | 105.7° | 109.5° |
NAT | CAJ | H10 | 114.7° | 109.4° |
CAJ | NAT | H11 | 103.8° | 111.0° |
NAS | CAJ | CAD | 100.8° | 109.5° |
CAJ | NAS | CAU | 135.0° | 111.0° |
NAS | CAJ | H10 | 116.1° | 109.4° |
CAJ | NAS | H18 | 102.7° | 111.0° |
CAJ | CAD | CAF | 118.2° | 120.8° |
CAJ | CAD | CAE | 123.1° | 120.9° |
CAD | CAJ | H10 | 116.1° | 109.6° |
NAS | CAU | CAV | 114.9° | 109.5° |
CAU | NAS | H18 | 102.8° | 111.0° |
NAS | CAU | H20 | 108.1° | 109.5° |
NAS | CAU | H21 | 108.1° | 109.5° |
CAU | CAV | CAW | 111.3° | 109.4° |
CAV | CAU | H20 | 108.1° | 109.5° |
CAV | CAU | H21 | 108.1° | 109.4° |
CAU | CAV | H22 | 109.0° | 109.4° |
CAU | CAV | H23 | 109.0° | 109.4° |
CAD | CAF | CAG | 118.0° | 119.2° |
CAF | CAD | CAE | 118.6° | 118.4° |
CAF | CAG | NAH | 122.9° | 120.9° |
CAF | CAG | H5 | 118.5° | 119.5° |
CAD | CAE | OAK | 120.3° | 120.4° |
CAD | CAE | CAI | 122.8° | 119.1° |
N | CA | CB | 109.7° | 109.5° |
N | CA | C | 112.1° | 109.5° |
N | CA | H28 | 109.7° | 109.5° |
CA | N | H30 | 109.5° | 111.0° |
CA | N | H31 | 109.5° | 111.0° |
CAG | NAH | CAI | 123.2° | 121.7° |
NAH | CAG | H5 | 118.5° | 119.5° |
CAV | CAW | CB | 116.3° | 109.4° |
CAW | CAV | H22 | 109.0° | 109.5° |
CAW | CAV | H23 | 109.0° | 109.5° |
CAV | CAW | H24 | 107.8° | 109.6° |
CAV | CAW | H25 | 107.7° | 109.5° |
CAW | CB | CA | 102.2° | 109.5° |
CB | CAW | H24 | 107.7° | 109.4° |
CB | CAW | H25 | 107.7° | 109.5° |
CAW | CB | H26 | 111.3° | 109.4° |
CAW | CB | H27 | 111.3° | 109.4° |
OAK | CAE | CAI | 116.9° | 120.5° |
CAE | OAK | H9 | 109.5° | 114.0° |
CAE | CAI | NAH | 114.3° | 120.7° |
CAE | CAI | CAL | 127.3° | 119.7° |
CB | CA | C | 106.8° | 109.4° |
CA | CB | H26 | 111.2° | 109.4° |
CA | CB | H27 | 111.3° | 109.5° |
CB | CA | H28 | 109.0° | 109.5° |
CA | C | O | 121.3° | 120.0° |
C | CA | H28 | 109.4° | 109.5° |
CA | C | OXT | 117.6° | 120.0° |
NAH | CAI | CAL | 118.4° | 119.6° |
CAI | CAL | H6 | 109.5° | 109.4° |
CAI | CAL | H7 | 109.4° | 109.5° |
CAI | CAL | H8 | 109.5° | 109.5° |
O | C | OXT | 120.9° | 120.0° |
H3 | CAM | H4 | 109.5° | 109.4° |
H6 | CAL | H7 | 109.5° | 109.5° |
H6 | CAL | H8 | 109.5° | 109.5° |
H7 | CAL | H8 | 109.5° | 109.5° |
H15 | CBD | H16 | 109.5° | 109.5° |
H20 | CAU | H21 | 109.4° | 109.4° |
H22 | CAV | H23 | 109.5° | 109.5° |
H24 | CAW | H25 | 109.5° | 109.4° |
H26 | CB | H27 | 109.5° | 109.5° |
H30 | N | H31 | 109.5° | 111.0° |
C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAR | PAO | OAP | OAQ | 127.3° | 120.0° |
OAR | PAO | OAP | OAN | 116.6° | 120.0° |
OAR | PAO | OAQ | OAN | 112.7° | 120.0° |
OAR | PAO | OAN | CAM | 52.1° | 55.0° |
OAR | PAO | OAP | H1 | 0.0° | 60.0° |
OAR | PAO | OAQ | H2 | 0.0° | 179.9° |
SBE | CBD | CAZ | H15 | 118.6° | 120.0° |
SBE | CBD | CAZ | H16 | 118.6° | 120.0° |
SBE | CBD | CAZ | CBA | 68.0° | 169.5° |
SBE | CBD | CAZ | NAT | 56.7° | 49.6° |
SBE | CBD | CAZ | H13 | 176.0° | 70.5° |
SBE | CBD | H15 | H16 | 124.1° | 120.0° |
CBD | CAZ | CBA | OBB | 9.8° | 132.7° |
CBD | CAZ | CBA | NAT | 129.2° | 120.0° |
CBD | CAZ | CBA | H13 | 117.1° | 120.0° |
CBD | CAZ | NAT | H13 | 119.3° | 120.1° |
CBD | CAZ | CBA | OBC | 177.2° | 47.3° |
CBD | CAZ | NAT | CAJ | 22.8° | 41.8° |
CBD | CAZ | NAT | H11 | 100.0° | 165.9° |
CAZ | CBD | H15 | H16 | 124.1° | 120.0° |
CAZ | CBD | SBE | H17 | 180.0° | 180.0° |
OAP | PAO | OAQ | OAN | 120.8° | 120.0° |
OAP | PAO | OAN | CAM | 67.2° | 175.0° |
OAP | PAO | OAQ | H2 | 126.5° | 59.9° |
OBB | CBA | CAZ | OBC | 172.9° | 180.0° |
OBB | CBA | CAZ | NAT | 139.1° | 12.7° |
OBB | CBA | CAZ | H13 | 107.2° | 107.3° |
OBB | CBA | OBC | H14 | 0.0° | 0.0° |
OAQ | PAO | OAN | CAM | 169.4° | 65.0° |
OAQ | PAO | OAP | H1 | 127.4° | 60.0° |
PAO | OAN | CAM | CAF | 166.4° | 180.0° |
OAN | PAO | OAP | H1 | 116.6° | 180.0° |
OAN | PAO | OAQ | H2 | 112.7° | 60.1° |
PAO | OAN | CAM | H3 | 46.9° | 60.0° |
PAO | OAN | CAM | H4 | 74.2° | 60.0° |
CBA | CAZ | NAT | H13 | 112.4° | 119.9° |
CBA | CAZ | NAT | CAJ | 151.1° | 78.2° |
CBA | CAZ | NAT | H11 | 28.3° | 45.9° |
CAZ | CBA | OBC | H14 | 173.3° | 180.0° |
CBA | CAZ | CBD | H15 | 50.6° | 70.4° |
CBA | CAZ | CBD | H16 | 173.4° | 49.5° |
NAT | CAZ | CBA | OBC | 48.0° | 167.3° |
CAZ | NAT | CAJ | H11 | 122.8° | 124.0° |
CAZ | NAT | CAJ | NAS | 135.1° | 104.6° |
CAZ | NAT | CAJ | CAD | 120.1° | 135.3° |
CAZ | NAT | CAJ | H10 | 9.2° | 15.2° |
NAT | CAZ | CBD | H15 | 175.3° | 169.6° |
NAT | CAZ | CBD | H16 | 61.9° | 70.4° |
OBC | CBA | CAZ | H13 | 65.7° | 72.7° |
OAN | CAM | CAF | H3 | 119.4° | 120.0° |
OAN | CAM | CAF | H4 | 119.4° | 120.0° |
OAN | CAM | CAF | CAD | 70.5° | 180.0° |
OAN | CAM | CAF | CAG | 116.8° | 0.3° |
OAN | CAM | H3 | H4 | 121.6° | 119.9° |
CAM | CAF | CAD | CAJ | 5.9° | 0.0° |
CAM | CAF | CAD | CAG | 172.7° | 179.8° |
CAM | CAF | CAD | CAE | 177.4° | 179.8° |
CAM | CAF | CAG | NAH | 175.1° | 180.0° |
CAF | CAM | H3 | H4 | 121.7° | 120.1° |
CAM | CAF | CAG | H5 | 4.8° | 0.1° |
NAT | CAJ | NAS | CAD | 108.6° | 120.0° |
NAT | CAJ | NAS | H10 | 125.1° | 119.9° |
NAT | CAJ | CAD | H10 | 128.4° | 120.0° |
NAT | CAJ | NAS | CAU | 67.4° | 106.4° |
NAT | CAJ | CAD | CAF | 141.9° | 179.7° |
NAT | CAJ | CAD | CAE | 41.5° | 0.1° |
CAJ | NAT | CAZ | H13 | 96.5° | 161.9° |
NAT | CAJ | NAS | H18 | 55.7° | 17.6° |
NAS | CAJ | CAD | H10 | 126.3° | 120.0° |
CAJ | NAS | CAU | H18 | 123.1° | 124.0° |
CAJ | NAS | CAU | CAV | 174.1° | 173.7° |
NAS | CAJ | CAD | CAF | 112.8° | 60.3° |
NAS | CAJ | CAD | CAE | 63.7° | 119.9° |
NAS | CAJ | NAT | H11 | 12.3° | 19.4° |
CAJ | NAS | CAU | H20 | 65.1° | 66.2° |
CAJ | NAS | CAU | H21 | 53.2° | 53.7° |
CAD | CAJ | NAS | CAU | 176.0° | 133.6° |
CAJ | CAD | CAF | CAE | 176.7° | 179.8° |
CAJ | CAD | CAF | CAG | 178.7° | 179.8° |
CAJ | CAD | CAE | OAK | 1.1° | 0.0° |
CAJ | CAD | CAE | CAI | 179.4° | 179.8° |
CAD | CAJ | NAT | H11 | 117.1° | 100.7° |
CAD | CAJ | NAS | H18 | 52.9° | 102.4° |
NAS | CAU | CAV | H20 | 120.8° | 120.1° |
NAS | CAU | CAV | H21 | 120.8° | 120.0° |
NAS | CAU | CAV | CAW | 141.9° | 180.0° |
CAU | NAS | CAJ | H10 | 57.6° | 13.5° |
NAS | CAU | H20 | H21 | 117.5° | 120.0° |
NAS | CAU | CAV | H22 | 97.9° | 59.9° |
NAS | CAU | CAV | H23 | 21.6° | 60.1° |
CAU | CAV | CAW | H22 | 120.3° | 120.0° |
CAU | CAV | CAW | H23 | 120.3° | 119.9° |
CAU | CAV | CAW | CB | 168.7° | 180.0° |
CAV | CAU | NAS | H18 | 50.9° | 49.7° |
CAV | CAU | H20 | H21 | 117.5° | 119.9° |
CAU | CAV | H22 | H23 | 119.2° | 119.9° |
CAU | CAV | CAW | H24 | 47.7° | 60.0° |
CAU | CAV | CAW | H25 | 70.3° | 60.0° |
CAD | CAF | CAG | NAH | 2.1° | 0.2° |
CAF | CAD | CAE | OAK | 177.6° | 179.8° |
CAF | CAD | CAE | CAI | 4.1° | 0.4° |
CAD | CAF | CAM | H3 | 49.0° | 60.0° |
CAD | CAF | CAM | H4 | 170.1° | 60.0° |
CAD | CAF | CAG | H5 | 177.9° | 179.7° |
CAF | CAD | CAJ | H10 | 13.5° | 59.7° |
CAG | CAF | CAD | CAE | 4.7° | 0.4° |
CAF | CAG | NAH | H5 | 180.0° | 179.9° |
CAF | CAG | NAH | CAI | 1.6° | 0.1° |
CAG | CAF | CAM | H3 | 123.7° | 119.7° |
CAG | CAF | CAM | H4 | 2.6° | 120.2° |
CAD | CAE | OAK | CAI | 178.4° | 179.8° |
CAD | CAE | CAI | NAH | 0.6° | 0.2° |
CAD | CAE | CAI | CAL | 179.4° | 179.8° |
CAD | CAE | OAK | H9 | 180.0° | 89.8° |
CAE | CAD | CAJ | H10 | 169.9° | 120.1° |
N | CA | CB | CAW | 76.2° | 65.0° |
N | CA | CB | C | 121.7° | 120.0° |
N | CA | CB | H28 | 120.2° | 120.0° |
N | CA | C | H28 | 122.0° | 120.0° |
N | CA | C | O | 172.0° | 19.9° |
N | CA | CB | H26 | 165.0° | 175.0° |
N | CA | CB | H27 | 42.6° | 55.0° |
CA | N | H30 | H31 | 120.0° | 123.9° |
N | CA | C | OXT | 12.6° | 160.0° |
CAG | NAH | CAI | CAE | 2.2° | 0.1° |
CAG | NAH | CAI | CAL | 177.8° | 179.9° |
CAV | CAW | CB | H24 | 121.0° | 120.1° |
CAV | CAW | CB | H25 | 121.0° | 120.0° |
CAV | CAW | CB | CA | 160.3° | 180.0° |
CAW | CAV | CAU | H20 | 21.1° | 59.9° |
CAW | CAV | CAU | H21 | 97.3° | 60.0° |
CAW | CAV | H22 | H23 | 119.2° | 120.1° |
CAV | CAW | H24 | H25 | 116.9° | 120.1° |
CAV | CAW | CB | H26 | 41.5° | 60.0° |
CAV | CAW | CB | H27 | 80.9° | 60.0° |
CAW | CB | CA | H26 | 118.8° | 119.9° |
CAW | CB | CA | H27 | 118.8° | 120.0° |
CAW | CB | CA | C | 162.0° | 175.0° |
CB | CAW | CAV | H22 | 71.0° | 60.0° |
CB | CAW | CAV | H23 | 48.4° | 60.1° |
CB | CAW | H24 | H25 | 116.9° | 119.9° |
CAW | CB | H26 | H27 | 123.4° | 120.0° |
CAW | CB | CA | H28 | 44.0° | 55.0° |
OAK | CAE | CAI | NAH | 178.9° | 180.0° |
OAK | CAE | CAI | CAL | 1.0° | 0.0° |
CAE | CAI | NAH | CAL | 180.0° | 180.0° |
CAE | CAI | CAL | H6 | 180.0° | 90.0° |
CAE | CAI | CAL | H7 | 60.0° | 30.0° |
CAE | CAI | CAL | H8 | 60.0° | 150.0° |
CAI | CAE | OAK | H9 | 1.6° | 90.0° |
CB | CA | C | H28 | 117.8° | 120.0° |
CB | CA | C | O | 67.9° | 100.0° |
CA | CB | CAW | H24 | 78.7° | 60.0° |
CA | CB | CAW | H25 | 39.3° | 59.9° |
CA | CB | H26 | H27 | 123.4° | 120.1° |
CB | CA | N | H30 | 180.0° | 176.1° |
CB | CA | N | H31 | 60.0° | 60.0° |
CB | CA | C | OXT | 107.6° | 80.1° |
CA | C | O | OXT | 175.3° | 179.9° |
C | CA | CB | H26 | 43.2° | 55.1° |
C | CA | CB | H27 | 79.1° | 65.0° |
C | CA | N | H30 | 61.5° | 64.0° |
C | CA | N | H31 | 58.4° | 59.9° |
CA | C | OXT | HXT | 175.5° | 180.0° |
CAI | NAH | CAG | H5 | 178.4° | 180.0° |
NAH | CAI | CAL | H6 | 0.0° | 90.0° |
NAH | CAI | CAL | H7 | 120.0° | 150.0° |
NAH | CAI | CAL | H8 | 120.0° | 30.0° |
CAI | CAL | H6 | H7 | 120.0° | 120.0° |
CAI | CAL | H6 | H8 | 120.0° | 120.0° |
CAI | CAL | H7 | H8 | 120.0° | 120.0° |
O | C | CA | H28 | 50.0° | 139.9° |
O | C | OXT | HXT | 0.0° | 0.1° |
H6 | CAL | H7 | H8 | 120.0° | 120.1° |
H10 | CAJ | NAT | H11 | 113.6° | 139.3° |
H10 | CAJ | NAS | H18 | 179.2° | 137.5° |
H11 | NAT | CAZ | H13 | 140.7° | 74.1° |
H13 | CAZ | CBD | H15 | 65.4° | 49.5° |
H13 | CAZ | CBD | H16 | 57.4° | 169.5° |
H15 | CBD | SBE | H17 | 61.4° | 60.0° |
H16 | CBD | SBE | H17 | 61.4° | 60.0° |
H18 | NAS | CAU | H20 | 171.8° | 169.8° |
H18 | NAS | CAU | H21 | 69.9° | 70.3° |
H20 | CAU | CAV | H22 | 141.3° | 180.0° |
H20 | CAU | CAV | H23 | 99.2° | 60.0° |
H21 | CAU | CAV | H22 | 23.0° | 60.0° |
H21 | CAU | CAV | H23 | 142.4° | 180.0° |
H22 | CAV | CAW | H24 | 168.0° | 180.0° |
H22 | CAV | CAW | H25 | 49.9° | 60.0° |
H23 | CAV | CAW | H24 | 72.6° | 59.9° |
H23 | CAV | CAW | H25 | 169.4° | 179.9° |
H24 | CAW | CB | H26 | 162.5° | 179.9° |
H24 | CAW | CB | H27 | 40.1° | 60.1° |
H25 | CAW | CB | H26 | 79.5° | 60.0° |
H25 | CAW | CB | H27 | 158.1° | 180.0° |
H26 | CB | CA | H28 | 74.8° | 64.9° |
H27 | CB | CA | H28 | 162.8° | 175.0° |
H28 | CA | N | H30 | 60.2° | 56.0° |
H28 | CA | N | H31 | 179.8° | 180.0° |
H28 | CA | C | OXT | 134.5° | 39.9° |