EZP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAD | CAM | sing | 1.43Å | 1.43Å | |
CE1 | NE2 | sing | 1.35Å | 1.34Å | Aromatic |
CE1 | ND1 | doub | 1.31Å | 1.34Å | Aromatic |
NE2 | CD2 | sing | 1.37Å | 1.34Å | Aromatic |
ND1 | CG | sing | 1.34Å | 1.33Å | Aromatic |
CD2 | CG | doub | 1.35Å | 1.33Å | Aromatic |
O | C | doub | 1.21Å | 1.23Å | |
CAM | CAX | sing | 1.53Å | 1.53Å | |
CAX | NAP | sing | 1.46Å | 1.47Å | |
CAX | CAW | sing | 1.53Å | 1.54Å | |
CG | CB | sing | 1.51Å | 1.54Å | |
C | NAP | sing | 1.35Å | 1.34Å | |
C | CA | sing | 1.51Å | 1.54Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | N | sing | 1.47Å | 1.47Å | |
CAH | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
CAH | CAT | sing | 1.38Å | 1.39Å | Aromatic |
CAW | CAT | sing | 1.51Å | 1.40Å | |
CAW | OAE | sing | 1.43Å | 1.44Å | |
CAJ | CAU | sing | 1.38Å | 1.39Å | Aromatic |
CAT | CAG | doub | 1.38Å | 1.40Å | Aromatic |
OAC | NAY | doub | 1.22Å | 1.38Å | |
CAU | NAY | sing | 1.48Å | 1.34Å | |
CAU | CAI | doub | 1.38Å | 1.39Å | Aromatic |
CAG | CAI | sing | 1.38Å | 1.40Å | Aromatic |
NAY | OAF | sing | 1.22Å | 1.43Å | |
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 | |
CD2 | H18 | sing | 1.08Å | 1.08Å | |
NE2 | H19 | sing | 0.97Å | 1.00Å | |
CE1 | H20 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAD | CAM | CAX | 112.5° | 109.5° |
OAD | CAM | H8 | 108.7° | 109.5° |
OAD | CAM | H9 | 108.7° | 109.5° |
CAM | OAD | H10 | 109.5° | 114.0° |
NE2 | CE1 | ND1 | 108.4° | 108.7° |
CE1 | NE2 | CD2 | 108.4° | 107.2° |
CE1 | NE2 | H19 | 125.8° | 126.4° |
NE2 | CE1 | H20 | 125.8° | 125.7° |
CE1 | ND1 | CG | 106.8° | 109.2° |
ND1 | CE1 | H20 | 125.8° | 125.6° |
NE2 | CD2 | CG | 106.6° | 106.8° |
NE2 | CD2 | H18 | 126.7° | 126.6° |
CD2 | NE2 | H19 | 125.8° | 126.4° |
ND1 | CG | CD2 | 109.9° | 108.0° |
ND1 | CG | CB | 123.3° | 126.0° |
CD2 | CG | CB | 126.8° | 126.0° |
CG | CD2 | H18 | 126.7° | 126.6° |
O | C | NAP | 124.7° | 120.0° |
O | C | CA | 122.3° | 120.0° |
CAM | CAX | NAP | 106.3° | 109.4° |
CAM | CAX | CAW | 101.6° | 109.5° |
CAM | CAX | H7 | 109.7° | 109.4° |
CAX | CAM | H8 | 108.7° | 109.5° |
CAX | CAM | H9 | 108.7° | 109.4° |
NAP | CAX | CAW | 118.3° | 109.5° |
CAX | NAP | C | 126.5° | 120.0° |
NAP | CAX | H7 | 110.6° | 109.5° |
CAX | NAP | H11 | 116.8° | 119.9° |
CAX | CAW | CAT | 120.4° | 109.5° |
CAX | CAW | OAE | 109.5° | 109.5° |
CAX | CAW | H5 | 104.1° | 109.5° |
CAW | CAX | H7 | 109.7° | 109.5° |
CG | CB | CA | 115.3° | 109.5° |
CG | CB | H16 | 108.0° | 109.4° |
CG | CB | H17 | 108.0° | 109.4° |
NAP | C | CA | 113.0° | 120.0° |
C | NAP | H11 | 116.7° | 120.0° |
C | CA | CB | 105.9° | 109.5° |
C | CA | N | 110.7° | 109.5° |
C | CA | H12 | 109.4° | 109.4° |
CB | CA | N | 110.8° | 109.5° |
CB | CA | H12 | 109.5° | 109.5° |
CA | CB | H16 | 108.0° | 109.5° |
CA | CB | H17 | 108.0° | 109.5° |
N | CA | H12 | 110.4° | 109.4° |
CA | N | H13 | 109.5° | 111.0° |
CA | N | H14 | 109.4° | 111.0° |
CAJ | CAH | CAT | 120.1° | 120.0° |
CAH | CAJ | CAU | 120.9° | 120.0° |
CAH | CAJ | H3 | 119.5° | 120.0° |
CAJ | CAH | H4 | 119.9° | 120.0° |
CAH | CAT | CAW | 118.5° | 120.0° |
CAH | CAT | CAG | 119.1° | 120.0° |
CAT | CAH | H4 | 119.9° | 120.0° |
CAT | CAW | OAE | 110.7° | 109.4° |
CAW | CAT | CAG | 122.2° | 120.0° |
CAT | CAW | H5 | 105.6° | 109.5° |
OAE | CAW | H5 | 105.2° | 109.4° |
CAW | OAE | H6 | 109.5° | 114.0° |
CAJ | CAU | NAY | 119.5° | 120.0° |
CAJ | CAU | CAI | 119.3° | 120.1° |
CAU | CAJ | H3 | 119.6° | 120.0° |
CAT | CAG | CAI | 120.7° | 120.0° |
CAT | CAG | H1 | 119.7° | 120.0° |
OAC | NAY | CAU | 119.2° | 120.0° |
OAC | NAY | OAF | 121.3° | 120.0° |
NAY | CAU | CAI | 121.2° | 120.0° |
CAU | NAY | OAF | 119.2° | 120.0° |
CAU | CAI | CAG | 119.8° | 119.9° |
CAU | CAI | H2 | 120.1° | 120.0° |
CAI | CAG | H1 | 119.6° | 120.0° |
CAG | CAI | H2 | 120.1° | 120.0° |
H8 | CAM | H9 | 109.5° | 109.5° |
H13 | N | H14 | 109.4° | 111.0° |
H16 | CB | H17 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAD | CAM | CAX | H8 | 120.4° | 120.0° |
OAD | CAM | CAX | H9 | 120.5° | 120.0° |
OAD | CAM | CAX | NAP | 65.7° | 65.0° |
OAD | CAM | CAX | CAW | 169.9° | 55.0° |
OAD | CAM | CAX | H7 | 53.9° | 175.0° |
OAD | CAM | H8 | H9 | 118.6° | 120.1° |
NE2 | CE1 | ND1 | H20 | 180.0° | 179.8° |
CE1 | NE2 | CD2 | H19 | 180.0° | 180.0° |
NE2 | CE1 | ND1 | CG | 0.3° | 0.4° |
CE1 | NE2 | CD2 | CG | 0.2° | 0.0° |
CE1 | NE2 | CD2 | H18 | 179.8° | 180.0° |
ND1 | CE1 | NE2 | CD2 | 0.1° | 0.2° |
CE1 | ND1 | CG | CD2 | 0.4° | 0.4° |
CE1 | ND1 | CG | CB | 179.3° | 179.9° |
ND1 | CE1 | NE2 | H19 | 179.9° | 179.8° |
NE2 | CD2 | CG | ND1 | 0.3° | 0.2° |
NE2 | CD2 | CG | H18 | 180.0° | 180.0° |
NE2 | CD2 | CG | CB | 179.2° | 179.9° |
CD2 | NE2 | CE1 | H20 | 179.9° | 180.0° |
ND1 | CG | CD2 | CB | 178.9° | 179.7° |
ND1 | CG | CB | CA | 156.7° | 55.4° |
ND1 | CG | CB | H16 | 82.5° | 175.3° |
ND1 | CG | CB | H17 | 35.8° | 64.6° |
ND1 | CG | CD2 | H18 | 179.6° | 179.8° |
CG | ND1 | CE1 | H20 | 179.7° | 179.8° |
CD2 | CG | CB | CA | 24.6° | 125.0° |
CD2 | CG | CB | H16 | 96.2° | 5.0° |
CD2 | CG | CB | H17 | 145.5° | 115.0° |
CG | CD2 | NE2 | H19 | 179.9° | 180.0° |
O | C | NAP | CAX | 3.4° | 0.1° |
O | C | NAP | CA | 179.1° | 180.0° |
O | C | CA | CB | 175.6° | 100.0° |
O | C | CA | N | 64.3° | 20.0° |
O | C | NAP | H11 | 176.6° | 180.0° |
O | C | CA | H12 | 57.7° | 140.0° |
CAM | CAX | NAP | CAW | 113.2° | 120.1° |
CAM | CAX | NAP | H7 | 119.1° | 119.9° |
CAM | CAX | CAW | H7 | 116.0° | 120.0° |
CAM | CAX | NAP | C | 169.4° | 85.0° |
CAM | CAX | CAW | CAT | 172.8° | 175.0° |
CAM | CAX | CAW | OAE | 42.9° | 55.0° |
CAM | CAX | CAW | H5 | 69.2° | 64.9° |
CAX | CAM | H8 | H9 | 118.6° | 119.9° |
CAX | CAM | OAD | H10 | 180.0° | 180.0° |
CAM | CAX | NAP | H11 | 10.6° | 95.1° |
NAP | CAX | CAW | H7 | 128.1° | 120.0° |
CAX | NAP | C | H11 | 180.0° | 179.9° |
CAX | NAP | C | CA | 175.8° | 180.0° |
NAP | CAX | CAW | CAT | 57.0° | 55.0° |
NAP | CAX | CAW | OAE | 73.0° | 65.0° |
NAP | CAX | CAW | H5 | 175.0° | 175.0° |
NAP | CAX | CAM | H8 | 54.7° | 55.0° |
NAP | CAX | CAM | H9 | 173.8° | 174.9° |
CAW | CAX | NAP | C | 77.4° | 154.9° |
CAX | CAW | CAT | CAH | 97.2° | 95.0° |
CAX | CAW | CAT | OAE | 129.5° | 120.0° |
CAX | CAW | CAT | H5 | 117.2° | 120.1° |
CAX | CAW | OAE | H5 | 111.4° | 120.0° |
CAX | CAW | CAT | CAG | 87.7° | 84.4° |
CAX | CAW | OAE | H6 | 180.0° | 60.0° |
CAW | CAX | CAM | H8 | 69.6° | 175.1° |
CAW | CAX | CAM | H9 | 49.5° | 65.0° |
CAW | CAX | NAP | H11 | 102.6° | 25.0° |
CG | CB | CA | C | 139.8° | 175.0° |
CG | CB | CA | H16 | 120.9° | 120.0° |
CG | CB | CA | H17 | 120.9° | 120.0° |
CG | CB | CA | N | 100.1° | 65.0° |
CG | CB | CA | H12 | 21.9° | 55.0° |
CG | CB | H16 | H17 | 117.3° | 120.0° |
CB | CG | CD2 | H18 | 0.8° | 0.1° |
NAP | C | CA | CB | 3.5° | 80.0° |
NAP | C | CA | N | 116.6° | 159.9° |
C | NAP | CAX | H7 | 50.3° | 34.9° |
NAP | C | CA | H12 | 121.5° | 40.0° |
C | CA | CB | N | 120.1° | 120.0° |
C | CA | CB | H12 | 117.9° | 120.0° |
C | CA | N | H12 | 121.3° | 119.9° |
CA | C | NAP | H11 | 4.2° | 0.0° |
C | CA | N | H13 | 180.0° | 176.0° |
C | CA | N | H14 | 60.0° | 60.0° |
C | CA | CB | H16 | 99.3° | 55.0° |
C | CA | CB | H17 | 18.9° | 65.0° |
CB | CA | N | H12 | 121.5° | 120.0° |
CB | CA | N | H13 | 62.9° | 63.9° |
CB | CA | N | H14 | 57.1° | 60.0° |
CA | CB | H16 | H17 | 117.4° | 120.1° |
CA | N | H13 | H14 | 120.0° | 123.9° |
N | CA | CB | H16 | 20.7° | 175.0° |
N | CA | CB | H17 | 139.0° | 55.0° |
CAJ | CAH | CAT | H4 | 180.0° | 179.8° |
CAJ | CAH | CAT | CAW | 177.0° | 179.9° |
CAH | CAJ | CAU | H3 | 180.0° | 179.9° |
CAJ | CAH | CAT | CAG | 1.8° | 0.5° |
CAH | CAJ | CAU | NAY | 179.5° | 180.0° |
CAH | CAJ | CAU | CAI | 0.9° | 0.0° |
CAH | CAT | CAW | CAG | 175.1° | 179.4° |
CAH | CAT | CAW | OAE | 133.3° | 145.0° |
CAT | CAH | CAJ | CAU | 0.3° | 0.2° |
CAH | CAT | CAG | CAI | 2.3° | 0.5° |
CAH | CAT | CAG | H1 | 177.7° | 179.7° |
CAT | CAH | CAJ | H3 | 179.8° | 179.7° |
CAH | CAT | CAW | H5 | 20.0° | 25.0° |
CAT | CAW | OAE | H5 | 113.5° | 120.0° |
CAW | CAT | CAG | CAI | 177.3° | 180.0° |
CAW | CAT | CAG | H1 | 2.7° | 0.3° |
CAW | CAT | CAH | H4 | 3.0° | 0.3° |
CAT | CAW | OAE | H6 | 44.9° | 60.1° |
CAT | CAW | CAX | H7 | 71.1° | 65.0° |
OAE | CAW | CAT | CAG | 41.7° | 35.6° |
OAE | CAW | CAX | H7 | 158.9° | 175.0° |
CAJ | CAU | NAY | OAC | 3.8° | 0.0° |
CAJ | CAU | NAY | CAI | 178.6° | 180.0° |
CAJ | CAU | CAI | CAG | 0.4° | 0.0° |
CAJ | CAU | NAY | OAF | 178.0° | 180.0° |
CAJ | CAU | CAI | H2 | 179.6° | 179.9° |
CAU | CAJ | CAH | H4 | 179.8° | 180.0° |
CAT | CAG | CAI | CAU | 1.2° | 0.3° |
CAT | CAG | CAI | H1 | 180.0° | 179.7° |
CAT | CAG | CAI | H2 | 178.9° | 179.7° |
CAG | CAT | CAH | H4 | 178.2° | 179.7° |
CAG | CAT | CAW | H5 | 155.0° | 155.6° |
OAC | NAY | CAU | OAF | 174.2° | 180.0° |
OAC | NAY | CAU | CAI | 174.8° | 180.0° |
NAY | CAU | CAI | CAG | 179.0° | 180.0° |
NAY | CAU | CAI | H2 | 1.0° | 0.0° |
NAY | CAU | CAJ | H3 | 0.5° | 0.0° |
CAU | CAI | CAG | H2 | 180.0° | 180.0° |
CAI | CAU | NAY | OAF | 0.6° | 0.0° |
CAU | CAI | CAG | H1 | 178.8° | 180.0° |
CAI | CAU | CAJ | H3 | 179.1° | 179.9° |
H1 | CAG | CAI | H2 | 1.2° | 0.1° |
H3 | CAJ | CAH | H4 | 0.2° | 0.1° |
H5 | CAW | OAE | H6 | 68.6° | 179.9° |
H5 | CAW | CAX | H7 | 46.9° | 55.0° |
H7 | CAX | CAM | H8 | 174.4° | 65.0° |
H7 | CAX | CAM | H9 | 66.5° | 55.0° |
H7 | CAX | NAP | H11 | 129.7° | 145.0° |
H8 | CAM | OAD | H10 | 59.5° | 60.0° |
H9 | CAM | OAD | H10 | 59.6° | 60.0° |
H12 | CA | N | H13 | 58.7° | 56.1° |
H12 | CA | N | H14 | 178.7° | 180.0° |
H12 | CA | CB | H16 | 142.8° | 65.0° |
H12 | CA | CB | H17 | 98.9° | 175.0° |
H18 | CD2 | NE2 | H19 | 0.2° | 0.0° |
H19 | NE2 | CE1 | H20 | 0.1° | 0.0° |