EZM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAD | CAM | sing | 1.43Å | 1.43Å | |
CE | NZ | sing | 1.47Å | 1.50Å | |
CE | CD | sing | 1.53Å | 1.53Å | |
CG | CD | sing | 1.53Å | 1.52Å | |
CG | CB | sing | 1.53Å | 1.52Å | |
O | C | doub | 1.21Å | 1.23Å | |
CAM | CAX | sing | 1.53Å | 1.54Å | |
CAX | NAP | sing | 1.47Å | 1.48Å | |
CAX | CAW | sing | 1.53Å | 1.55Å | |
CB | CA | sing | 1.53Å | 1.52Å | |
C | NAP | sing | 1.35Å | 1.35Å | |
C | CA | sing | 1.51Å | 1.55Å | |
CAH | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
CAH | CAT | sing | 1.38Å | 1.39Å | Aromatic |
CAW | CAT | sing | 1.51Å | 1.41Å | |
CAW | OAE | sing | 1.43Å | 1.44Å | |
CA | N | sing | 1.47Å | 1.47Å | |
CAJ | CAU | sing | 1.38Å | 1.39Å | Aromatic |
CAT | CAG | doub | 1.38Å | 1.39Å | Aromatic |
OAC | NAY | doub | 1.22Å | 1.26Å | |
CAU | NAY | sing | 1.48Å | 1.34Å | |
CAU | CAI | doub | 1.38Å | 1.39Å | Aromatic |
CAG | CAI | sing | 1.38Å | 1.39Å | Aromatic |
NAY | OAF | sing | 1.22Å | 1.48Å | |
CAG | H1 | sing | 1.08Å | 1.08Å | |
CAI | H2 | sing | 1.08Å | 1.08Å | |
CAJ | H3 | sing | 1.08Å | 1.08Å | |
CAH | H4 | sing | 1.08Å | 1.08Å | |
CAW | H5 | sing | 1.09Å | 1.10Å | |
OAE | H6 | sing | 0.97Å | 0.95Å | |
CAX | H7 | sing | 1.09Å | 1.10Å | |
CAM | H8 | sing | 1.09Å | 1.10Å | |
CAM | H9 | sing | 1.09Å | 1.10Å | |
OAD | H10 | sing | 0.97Å | 0.95Å | |
NAP | H11 | sing | 0.97Å | 1.00Å | |
CA | H12 | sing | 1.09Å | 1.10Å | |
N | H13 | sing | 1.01Å | 1.00Å | |
N | H14 | sing | 1.01Å | 1.00Å | |
CB | H16 | sing | 1.09Å | 1.10Å | |
CB | H17 | sing | 1.09Å | 1.10Å | |
CG | H18 | sing | 1.09Å | 1.10Å | |
CG | H19 | sing | 1.09Å | 1.10Å | |
CD | H20 | sing | 1.09Å | 1.10Å | |
CD | H21 | sing | 1.09Å | 1.10Å | |
CE | H22 | sing | 1.09Å | 1.10Å | |
CE | H23 | sing | 1.09Å | 1.10Å | |
NZ | H24 | sing | 1.01Å | 1.00Å | |
NZ | H25 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAD | CAM | CAX | 114.2° | 109.5° |
OAD | CAM | H8 | 108.3° | 109.5° |
OAD | CAM | H9 | 108.3° | 109.5° |
CAM | OAD | H10 | 109.5° | 114.0° |
NZ | CE | CD | 112.9° | 109.5° |
NZ | CE | H22 | 108.6° | 109.4° |
NZ | CE | H23 | 108.6° | 109.4° |
CE | NZ | H24 | 109.5° | 111.0° |
CE | NZ | H25 | 109.4° | 111.0° |
CE | CD | CG | 111.6° | 109.5° |
CE | CD | H20 | 108.9° | 109.5° |
CE | CD | H21 | 108.9° | 109.5° |
CD | CE | H22 | 108.6° | 109.5° |
CD | CE | H23 | 108.6° | 109.5° |
CD | CG | CB | 113.2° | 109.5° |
CD | CG | H18 | 108.6° | 109.5° |
CD | CG | H19 | 108.5° | 109.5° |
CG | CD | H20 | 108.9° | 109.4° |
CG | CD | H21 | 109.0° | 109.5° |
CG | CB | CA | 114.3° | 109.5° |
CG | CB | H16 | 108.3° | 109.4° |
CG | CB | H17 | 108.3° | 109.4° |
CB | CG | H18 | 108.5° | 109.4° |
CB | CG | H19 | 108.6° | 109.5° |
O | C | NAP | 123.3° | 120.0° |
O | C | CA | 121.0° | 120.0° |
CAM | CAX | NAP | 107.9° | 109.4° |
CAM | CAX | CAW | 102.0° | 109.5° |
CAM | CAX | H7 | 111.1° | 109.5° |
CAX | CAM | H8 | 108.3° | 109.5° |
CAX | CAM | H9 | 108.3° | 109.5° |
NAP | CAX | CAW | 112.4° | 109.5° |
CAX | NAP | C | 124.4° | 120.0° |
NAP | CAX | H7 | 112.0° | 109.5° |
CAX | NAP | H11 | 117.8° | 120.0° |
CAX | CAW | CAT | 119.2° | 109.5° |
CAX | CAW | OAE | 109.1° | 109.5° |
CAX | CAW | H5 | 105.9° | 109.5° |
CAW | CAX | H7 | 111.1° | 109.5° |
CB | CA | C | 111.2° | 109.5° |
CB | CA | N | 108.7° | 109.5° |
CB | CA | H12 | 108.8° | 109.4° |
CA | CB | H16 | 108.2° | 109.5° |
CA | CB | H17 | 108.2° | 109.5° |
NAP | C | CA | 115.7° | 120.0° |
C | NAP | H11 | 117.8° | 120.0° |
C | CA | N | 110.3° | 109.5° |
C | CA | H12 | 108.5° | 109.5° |
CAJ | CAH | CAT | 119.4° | 120.0° |
CAH | CAJ | CAU | 121.4° | 120.0° |
CAH | CAJ | H3 | 119.3° | 120.0° |
CAJ | CAH | H4 | 120.3° | 120.0° |
CAH | CAT | CAW | 120.5° | 120.0° |
CAH | CAT | CAG | 119.1° | 120.0° |
CAT | CAH | H4 | 120.3° | 120.0° |
CAT | CAW | OAE | 107.5° | 109.5° |
CAW | CAT | CAG | 120.2° | 120.0° |
CAT | CAW | H5 | 107.5° | 109.4° |
OAE | CAW | H5 | 107.1° | 109.5° |
CAW | OAE | H6 | 109.5° | 114.0° |
N | CA | H12 | 109.5° | 109.5° |
CA | N | H13 | 109.5° | 111.0° |
CA | N | H14 | 109.5° | 111.1° |
CAJ | CAU | NAY | 120.2° | 120.0° |
CAJ | CAU | CAI | 118.8° | 120.0° |
CAU | CAJ | H3 | 119.3° | 120.0° |
CAT | CAG | CAI | 121.3° | 120.0° |
CAT | CAG | H1 | 119.4° | 120.0° |
OAC | NAY | CAU | 118.7° | 120.0° |
OAC | NAY | OAF | 121.2° | 120.0° |
NAY | CAU | CAI | 121.0° | 120.0° |
CAU | NAY | OAF | 120.1° | 120.0° |
CAU | CAI | CAG | 119.9° | 120.0° |
CAU | CAI | H2 | 120.1° | 120.0° |
CAI | CAG | H1 | 119.3° | 120.0° |
CAG | CAI | H2 | 120.0° | 120.0° |
H8 | CAM | H9 | 109.5° | 109.4° |
H13 | N | H14 | 109.5° | 111.0° |
H16 | CB | H17 | 109.5° | 109.5° |
H18 | CG | H19 | 109.4° | 109.4° |
H20 | CD | H21 | 109.5° | 109.4° |
H22 | CE | H23 | 109.5° | 109.4° |
H24 | NZ | H25 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAD | CAM | CAX | H8 | 120.7° | 120.1° |
OAD | CAM | CAX | H9 | 120.7° | 120.0° |
OAD | CAM | CAX | NAP | 78.5° | 65.0° |
OAD | CAM | CAX | CAW | 163.0° | 55.0° |
OAD | CAM | CAX | H7 | 44.7° | 175.0° |
OAD | CAM | H8 | H9 | 117.8° | 120.0° |
NZ | CE | CD | H22 | 120.5° | 120.0° |
NZ | CE | CD | H23 | 120.5° | 120.0° |
NZ | CE | CD | CG | 92.2° | 180.0° |
NZ | CE | CD | H20 | 28.1° | 60.0° |
NZ | CE | CD | H21 | 147.5° | 60.0° |
NZ | CE | H22 | H23 | 118.5° | 119.9° |
CE | NZ | H24 | H25 | 120.0° | 124.0° |
CE | CD | CG | H20 | 120.3° | 120.0° |
CE | CD | CG | H21 | 120.3° | 120.0° |
CE | CD | CG | CB | 124.7° | 180.0° |
CE | CD | CG | H18 | 114.7° | 60.0° |
CE | CD | CG | H19 | 4.1° | 59.9° |
CE | CD | H20 | H21 | 119.0° | 120.0° |
CD | CE | H22 | H23 | 118.4° | 120.0° |
CD | CE | NZ | H24 | 180.0° | 56.1° |
CD | CE | NZ | H25 | 60.0° | 180.0° |
CD | CG | CB | H18 | 120.6° | 120.0° |
CD | CG | CB | H19 | 120.5° | 120.1° |
CD | CG | CB | CA | 89.7° | 180.0° |
CD | CG | CB | H16 | 149.6° | 60.0° |
CD | CG | CB | H17 | 31.0° | 60.0° |
CD | CG | H18 | H19 | 118.3° | 120.0° |
CG | CD | H20 | H21 | 119.0° | 120.0° |
CG | CD | CE | H22 | 147.3° | 60.0° |
CG | CD | CE | H23 | 28.3° | 60.0° |
CG | CB | CA | H16 | 120.7° | 120.0° |
CG | CB | CA | H17 | 120.7° | 120.0° |
CG | CB | CA | C | 53.2° | 175.0° |
CG | CB | CA | N | 174.7° | 65.0° |
CG | CB | CA | H12 | 66.2° | 55.1° |
CG | CB | H16 | H17 | 117.8° | 119.9° |
CB | CG | H18 | H19 | 118.3° | 120.0° |
CB | CG | CD | H20 | 4.4° | 60.0° |
CB | CG | CD | H21 | 115.0° | 60.0° |
O | C | NAP | CAX | 0.1° | 0.0° |
O | C | CA | CB | 79.8° | 100.0° |
O | C | NAP | CA | 178.3° | 180.0° |
O | C | CA | N | 40.8° | 20.0° |
O | C | NAP | H11 | 179.9° | 180.0° |
O | C | CA | H12 | 160.7° | 140.0° |
CAM | CAX | NAP | CAW | 111.6° | 120.0° |
CAM | CAX | NAP | H7 | 122.5° | 120.0° |
CAM | CAX | CAW | H7 | 118.4° | 120.0° |
CAM | CAX | NAP | C | 156.9° | 85.0° |
CAM | CAX | CAW | CAT | 177.8° | 175.0° |
CAM | CAX | CAW | OAE | 54.0° | 55.0° |
CAM | CAX | CAW | H5 | 61.0° | 65.1° |
CAX | CAM | H8 | H9 | 117.9° | 119.9° |
CAX | CAM | OAD | H10 | 180.0° | 180.0° |
CAM | CAX | NAP | H11 | 23.1° | 95.0° |
NAP | CAX | CAW | H7 | 126.4° | 120.0° |
CAX | NAP | C | H11 | 180.0° | 180.0° |
CAX | NAP | C | CA | 178.4° | 180.0° |
NAP | CAX | CAW | CAT | 62.6° | 55.0° |
NAP | CAX | CAW | OAE | 61.3° | 65.0° |
NAP | CAX | CAW | H5 | 176.2° | 175.0° |
NAP | CAX | CAM | H8 | 42.3° | 55.1° |
NAP | CAX | CAM | H9 | 160.9° | 175.0° |
CAW | CAX | NAP | C | 91.5° | 155.0° |
CAX | CAW | CAT | CAH | 98.8° | 95.0° |
CAX | CAW | CAT | OAE | 124.6° | 120.0° |
CAX | CAW | CAT | H5 | 120.4° | 120.0° |
CAX | CAW | OAE | H5 | 114.2° | 120.0° |
CAX | CAW | CAT | CAG | 85.6° | 84.4° |
CAX | CAW | OAE | H6 | 180.0° | 60.0° |
CAW | CAX | CAM | H8 | 76.3° | 175.0° |
CAW | CAX | CAM | H9 | 42.3° | 65.0° |
CAW | CAX | NAP | H11 | 88.5° | 25.0° |
CB | CA | C | NAP | 101.8° | 80.0° |
CB | CA | C | N | 120.6° | 120.0° |
CB | CA | C | H12 | 119.5° | 119.9° |
CB | CA | N | H12 | 118.7° | 120.0° |
CB | CA | N | H13 | 180.0° | 176.0° |
CB | CA | N | H14 | 60.0° | 60.0° |
CA | CB | H16 | H17 | 117.8° | 120.1° |
CA | CB | CG | H18 | 30.9° | 60.0° |
CA | CB | CG | H19 | 149.8° | 59.9° |
NAP | C | CA | N | 137.6° | 160.0° |
C | NAP | CAX | H7 | 34.4° | 35.0° |
NAP | C | CA | H12 | 17.7° | 40.0° |
C | CA | N | H12 | 119.3° | 120.0° |
CA | C | NAP | H11 | 1.6° | 0.0° |
C | CA | N | H13 | 58.0° | 64.0° |
C | CA | N | H14 | 62.1° | 60.0° |
C | CA | CB | H16 | 67.5° | 65.0° |
C | CA | CB | H17 | 173.9° | 55.0° |
CAJ | CAH | CAT | H4 | 180.0° | 179.7° |
CAJ | CAH | CAT | CAW | 177.7° | 180.0° |
CAH | CAJ | CAU | H3 | 180.0° | 179.9° |
CAJ | CAH | CAT | CAG | 2.1° | 0.6° |
CAH | CAJ | CAU | NAY | 179.9° | 180.0° |
CAH | CAJ | CAU | CAI | 0.1° | 0.1° |
CAH | CAT | CAW | CAG | 175.6° | 179.4° |
CAH | CAT | CAW | OAE | 136.6° | 145.0° |
CAT | CAH | CAJ | CAU | 1.0° | 0.4° |
CAH | CAT | CAG | CAI | 2.2° | 0.6° |
CAH | CAT | CAG | H1 | 177.8° | 179.7° |
CAT | CAH | CAJ | H3 | 179.0° | 179.7° |
CAH | CAT | CAW | H5 | 21.5° | 25.0° |
CAT | CAW | OAE | H5 | 115.3° | 120.0° |
CAW | CAT | CAG | CAI | 177.8° | 180.0° |
CAW | CAT | CAG | H1 | 2.2° | 0.3° |
CAW | CAT | CAH | H4 | 2.3° | 0.3° |
CAT | CAW | OAE | H6 | 49.5° | 60.0° |
CAT | CAW | CAX | H7 | 63.8° | 65.0° |
OAE | CAW | CAT | CAG | 39.0° | 35.6° |
OAE | CAW | CAX | H7 | 172.3° | 175.0° |
CA | N | H13 | H14 | 120.0° | 124.0° |
N | CA | CB | H16 | 54.0° | 55.0° |
N | CA | CB | H17 | 64.6° | 175.0° |
CAJ | CAU | NAY | OAC | 4.4° | 0.1° |
CAJ | CAU | NAY | CAI | 179.8° | 179.9° |
CAJ | CAU | CAI | CAG | 0.0° | 0.1° |
CAJ | CAU | NAY | OAF | 173.1° | 179.9° |
CAJ | CAU | CAI | H2 | 180.0° | 180.0° |
CAU | CAJ | CAH | H4 | 179.1° | 179.9° |
CAT | CAG | CAI | CAU | 1.1° | 0.3° |
CAT | CAG | CAI | H1 | 180.0° | 179.7° |
CAT | CAG | CAI | H2 | 178.9° | 179.7° |
CAG | CAT | CAH | H4 | 177.9° | 179.7° |
CAG | CAT | CAW | H5 | 154.0° | 155.6° |
OAC | NAY | CAU | OAF | 177.5° | 180.0° |
OAC | NAY | CAU | CAI | 175.8° | 180.0° |
NAY | CAU | CAI | CAG | 179.8° | 180.0° |
NAY | CAU | CAI | H2 | 0.2° | 0.0° |
NAY | CAU | CAJ | H3 | 0.2° | 0.1° |
CAU | CAI | CAG | H2 | 180.0° | 179.9° |
CAI | CAU | NAY | OAF | 6.7° | 0.0° |
CAU | CAI | CAG | H1 | 178.9° | 179.9° |
CAI | CAU | CAJ | H3 | 179.9° | 180.0° |
H1 | CAG | CAI | H2 | 1.1° | 0.0° |
H3 | CAJ | CAH | H4 | 1.0° | 0.0° |
H5 | CAW | OAE | H6 | 65.8° | 179.9° |
H5 | CAW | CAX | H7 | 57.4° | 55.0° |
H7 | CAX | CAM | H8 | 165.4° | 64.9° |
H7 | CAX | CAM | H9 | 76.0° | 55.0° |
H7 | CAX | NAP | H11 | 145.6° | 145.0° |
H8 | CAM | OAD | H10 | 59.3° | 59.9° |
H9 | CAM | OAD | H10 | 59.3° | 60.0° |
H12 | CA | N | H13 | 61.3° | 56.1° |
H12 | CA | N | H14 | 178.6° | 180.0° |
H12 | CA | CB | H16 | 173.1° | 175.0° |
H12 | CA | CB | H17 | 54.5° | 64.9° |
H16 | CB | CG | H18 | 89.8° | 180.0° |
H16 | CB | CG | H19 | 29.1° | 60.1° |
H17 | CB | CG | H18 | 151.6° | 60.0° |
H17 | CB | CG | H19 | 89.6° | 180.0° |
H18 | CG | CD | H20 | 124.9° | 180.0° |
H18 | CG | CD | H21 | 5.6° | 60.0° |
H19 | CG | CD | H20 | 116.2° | 60.1° |
H19 | CG | CD | H21 | 124.5° | 180.0° |
H20 | CD | CE | H22 | 92.4° | 180.0° |
H20 | CD | CE | H23 | 148.6° | 60.0° |
H21 | CD | CE | H22 | 26.9° | 60.0° |
H21 | CD | CE | H23 | 92.0° | 180.0° |
H22 | CE | NZ | H24 | 59.5° | 64.0° |
H22 | CE | NZ | H25 | 60.5° | 60.0° |
H23 | CE | NZ | H24 | 59.5° | 176.1° |
H23 | CE | NZ | H25 | 179.5° | 59.9° |