8YL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAC | NAY | sing | 1.47Å | 0.00Å | |
CAD | NAY | sing | 1.46Å | 0.00Å | |
NAY | C | sing | 1.35Å | 0.00Å | |
C | CA | sing | 1.51Å | 0.00Å | |
C | O | doub | 1.21Å | 0.00Å | |
CA | N | sing | 1.48Å | 0.00Å | |
CA | CB | sing | 1.54Å | 0.00Å | |
N | CD | sing | 1.48Å | 0.00Å | |
CD | CG | sing | 1.55Å | 0.00Å | |
CB | CG | sing | 1.55Å | 0.00Å | |
CG | SAO | sing | 1.81Å | 0.00Å | |
OAH | CAP | doub | 1.22Å | 0.00Å | |
SAO | CAT | sing | 1.76Å | 0.00Å | |
OAE | CAP | sing | 1.35Å | 0.00Å | |
CAP | CAS | sing | 1.41Å | 0.00Å | |
CAT | CAS | doub | 1.35Å | 0.00Å | |
CAT | CAV | sing | 1.51Å | 0.00Å | |
CAS | NAN | sing | 1.40Å | 0.00Å | |
CAV | CAB | sing | 1.53Å | 0.00Å | |
CAV | CAZ | sing | 1.54Å | 0.00Å | |
NAN | CAZ | sing | 1.47Å | 0.00Å | |
CAZ | CBA | sing | 1.53Å | 0.00Å | |
OAF | CAQ | doub | 1.21Å | 0.00Å | |
CAQ | OAI | sing | 1.34Å | 0.00Å | |
CAQ | CBA | sing | 1.51Å | 0.00Å | |
CBA | CAU | sing | 1.53Å | 0.00Å | |
CAU | OAJ | sing | 1.43Å | 0.00Å | |
CAU | CAA | sing | 1.53Å | 0.00Å | |
CAA | H1 | sing | 1.09Å | 0.00Å | |
CAA | H2 | sing | 1.09Å | 0.00Å | |
CAA | H3 | sing | 1.09Å | 0.00Å | |
CAU | H4 | sing | 1.09Å | 0.00Å | |
OAJ | H5 | sing | 0.97Å | 0.00Å | |
CBA | H6 | sing | 1.09Å | 0.00Å | |
OAI | H7 | sing | 0.97Å | 0.00Å | |
CAZ | H8 | sing | 1.09Å | 0.00Å | |
CAV | H9 | sing | 1.09Å | 0.00Å | |
CAB | H10 | sing | 1.09Å | 0.00Å | |
CAB | H11 | sing | 1.09Å | 0.00Å | |
CAB | H12 | sing | 1.09Å | 0.00Å | |
NAN | H13 | sing | 0.97Å | 0.00Å | |
OAE | H14 | sing | 0.97Å | 0.00Å | |
CG | H15 | sing | 1.09Å | 0.00Å | |
CB | H16 | sing | 1.09Å | 0.00Å | |
CB | H17 | sing | 1.09Å | 0.00Å | |
CD | H18 | sing | 1.09Å | 0.00Å | |
CD | H19 | sing | 1.09Å | 0.00Å | |
N | H20 | sing | 1.01Å | 0.00Å | |
CA | H22 | sing | 1.09Å | 0.00Å | |
CAD | H23 | sing | 1.09Å | 0.00Å | |
CAD | H24 | sing | 1.09Å | 0.00Å | |
CAD | H25 | sing | 1.09Å | 0.00Å | |
CAC | H26 | sing | 1.09Å | 0.00Å | |
CAC | H27 | sing | 1.09Å | 0.00Å | |
CAC | H28 | sing | 1.09Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAC | NAY | CAD | 90.0° | 120.0° |
CAC | NAY | C | 90.0° | 120.0° |
NAY | CAC | H26 | 90.0° | 109.5° |
NAY | CAC | H27 | 90.0° | 109.4° |
NAY | CAC | H28 | 90.0° | 109.5° |
CAD | NAY | C | 90.0° | 120.0° |
NAY | CAD | H23 | 90.0° | 109.5° |
NAY | CAD | H24 | 90.0° | 109.5° |
NAY | CAD | H25 | 90.0° | 109.5° |
NAY | C | CA | 90.0° | 120.0° |
NAY | C | O | 90.0° | 120.0° |
CA | C | O | 90.0° | 120.0° |
C | CA | N | 90.0° | 109.9° |
C | CA | CB | 90.0° | 109.9° |
C | CA | H22 | 90.0° | 110.0° |
N | CA | CB | 90.0° | 107.2° |
CA | N | CD | 90.0° | 108.6° |
CA | N | H20 | 90.0° | 111.0° |
N | CA | H22 | 90.0° | 109.9° |
CA | CB | CG | 90.0° | 103.0° |
CA | CB | H16 | 90.0° | 110.7° |
CA | CB | H17 | 90.0° | 110.9° |
CB | CA | H22 | 90.0° | 109.9° |
N | CD | CG | 90.0° | 104.8° |
N | CD | H18 | 90.0° | 110.4° |
N | CD | H19 | 90.0° | 110.5° |
CD | N | H20 | 90.0° | 111.0° |
CD | CG | CB | 90.0° | 101.7° |
CD | CG | SAO | 90.0° | 111.0° |
CD | CG | H15 | 90.0° | 111.0° |
CG | CD | H18 | 90.0° | 110.4° |
CG | CD | H19 | 90.0° | 110.4° |
CB | CG | SAO | 90.0° | 111.0° |
CB | CG | H15 | 90.0° | 111.0° |
CG | CB | H16 | 90.0° | 110.7° |
CG | CB | H17 | 90.0° | 110.7° |
CG | SAO | CAT | 90.0° | 100.0° |
SAO | CG | H15 | 90.0° | 110.8° |
OAH | CAP | OAE | 90.0° | 120.0° |
OAH | CAP | CAS | 90.0° | 120.0° |
SAO | CAT | CAS | 90.0° | 125.6° |
SAO | CAT | CAV | 90.0° | 125.6° |
OAE | CAP | CAS | 90.0° | 120.0° |
CAP | OAE | H14 | 90.0° | 114.0° |
CAP | CAS | CAT | 90.0° | 123.7° |
CAP | CAS | NAN | 90.0° | 123.6° |
CAS | CAT | CAV | 90.0° | 108.8° |
CAT | CAS | NAN | 90.0° | 112.7° |
CAT | CAV | CAB | 90.0° | 110.4° |
CAT | CAV | CAZ | 90.0° | 104.6° |
CAT | CAV | H9 | 90.0° | 110.5° |
CAS | NAN | CAZ | 90.0° | 109.2° |
CAS | NAN | H13 | 90.0° | 125.4° |
CAB | CAV | CAZ | 90.0° | 110.4° |
CAB | CAV | H9 | 90.0° | 110.4° |
CAV | CAB | H10 | 90.0° | 109.5° |
CAV | CAB | H11 | 90.0° | 109.5° |
CAV | CAB | H12 | 90.0° | 109.4° |
CAV | CAZ | NAN | 90.0° | 104.7° |
CAV | CAZ | CBA | 90.0° | 110.4° |
CAV | CAZ | H8 | 90.0° | 110.4° |
CAZ | CAV | H9 | 90.0° | 110.4° |
NAN | CAZ | CBA | 90.0° | 110.4° |
NAN | CAZ | H8 | 90.0° | 110.4° |
CAZ | NAN | H13 | 90.0° | 125.4° |
CAZ | CBA | CAQ | 90.0° | 109.5° |
CAZ | CBA | CAU | 90.0° | 109.5° |
CAZ | CBA | H6 | 90.0° | 109.5° |
CBA | CAZ | H8 | 90.0° | 110.4° |
OAF | CAQ | OAI | 90.0° | 120.0° |
OAF | CAQ | CBA | 90.0° | 120.0° |
OAI | CAQ | CBA | 90.0° | 120.0° |
CAQ | OAI | H7 | 90.0° | 117.0° |
CAQ | CBA | CAU | 90.0° | 109.5° |
CAQ | CBA | H6 | 90.0° | 109.5° |
CBA | CAU | OAJ | 90.0° | 109.5° |
CBA | CAU | CAA | 90.0° | 109.4° |
CBA | CAU | H4 | 90.0° | 109.5° |
CAU | CBA | H6 | 90.0° | 109.5° |
OAJ | CAU | CAA | 90.0° | 109.5° |
OAJ | CAU | H4 | 90.0° | 109.5° |
CAU | OAJ | H5 | 90.0° | 114.0° |
CAU | CAA | H1 | 90.0° | 109.4° |
CAU | CAA | H2 | 90.0° | 109.4° |
CAU | CAA | H3 | 90.0° | 109.5° |
CAA | CAU | H4 | 90.0° | 109.5° |
H1 | CAA | H2 | 90.0° | 109.5° |
H1 | CAA | H3 | 90.0° | 109.5° |
H2 | CAA | H3 | 90.0° | 109.5° |
H10 | CAB | H11 | 90.0° | 109.5° |
H10 | CAB | H12 | 90.0° | 109.5° |
H11 | CAB | H12 | 90.0° | 109.4° |
H16 | CB | H17 | 90.0° | 110.6° |
H18 | CD | H19 | 90.0° | 110.3° |
H23 | CAD | H24 | 90.0° | 109.5° |
H23 | CAD | H25 | 90.0° | 109.4° |
H24 | CAD | H25 | 90.0° | 109.5° |
H26 | CAC | H27 | 90.0° | 109.4° |
H26 | CAC | H28 | 90.0° | 109.5° |
H27 | CAC | H28 | 90.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAC | NAY | CAD | C | 90.0° | 180.0° |
CAC | NAY | C | CA | 90.0° | 0.0° |
CAC | NAY | C | O | 90.0° | 180.0° |
CAC | NAY | CAD | H23 | 90.0° | 90.0° |
CAC | NAY | CAD | H24 | 90.0° | 30.0° |
CAC | NAY | CAD | H25 | 90.0° | 150.0° |
NAY | CAC | H26 | H27 | 90.0° | 119.9° |
NAY | CAC | H26 | H28 | 90.0° | 120.0° |
NAY | CAC | H27 | H28 | 90.0° | 120.0° |
CAD | NAY | C | CA | 90.0° | 180.0° |
CAD | NAY | C | O | 90.0° | 0.1° |
NAY | CAD | H23 | H24 | 90.0° | 120.0° |
NAY | CAD | H23 | H25 | 90.0° | 119.9° |
NAY | CAD | H24 | H25 | 90.0° | 120.0° |
CAD | NAY | CAC | H26 | 90.0° | 180.0° |
CAD | NAY | CAC | H27 | 90.0° | 60.0° |
CAD | NAY | CAC | H28 | 90.0° | 60.0° |
NAY | C | CA | O | 90.0° | 180.0° |
NAY | C | CA | N | 90.0° | 161.5° |
NAY | C | CA | CB | 90.0° | 80.8° |
NAY | C | CA | H22 | 90.0° | 40.3° |
C | NAY | CAD | H23 | 90.0° | 90.0° |
C | NAY | CAD | H24 | 90.0° | 150.0° |
C | NAY | CAD | H25 | 90.0° | 29.9° |
C | NAY | CAC | H26 | 90.0° | 0.0° |
C | NAY | CAC | H27 | 90.0° | 120.0° |
C | NAY | CAC | H28 | 90.0° | 120.1° |
C | CA | N | CB | 90.0° | 119.4° |
C | CA | N | H22 | 90.0° | 121.3° |
C | CA | CB | H22 | 90.0° | 121.2° |
C | CA | N | CD | 90.0° | 118.4° |
C | CA | CB | CG | 90.0° | 141.7° |
C | CA | CB | H16 | 90.0° | 99.9° |
C | CA | CB | H17 | 90.0° | 23.2° |
C | CA | N | H20 | 90.0° | 119.3° |
O | C | CA | N | 90.0° | 18.5° |
O | C | CA | CB | 90.0° | 99.2° |
O | C | CA | H22 | 90.0° | 139.7° |
N | CA | CB | H22 | 90.0° | 119.4° |
CA | N | CD | H20 | 90.0° | 122.3° |
CA | N | CD | CG | 90.0° | 24.1° |
N | CA | CB | CG | 90.0° | 22.3° |
N | CA | CB | H16 | 90.0° | 140.7° |
N | CA | CB | H17 | 90.0° | 96.2° |
CA | N | CD | H18 | 90.0° | 94.8° |
CA | N | CD | H19 | 90.0° | 143.0° |
CB | CA | N | CD | 90.0° | 1.0° |
CA | CB | CG | CD | 90.0° | 35.6° |
CA | CB | CG | H16 | 90.0° | 118.4° |
CA | CB | CG | H17 | 90.0° | 118.6° |
CA | CB | CG | SAO | 90.0° | 153.8° |
CA | CB | CG | H15 | 90.0° | 82.5° |
CA | CB | H16 | H17 | 90.0° | 123.3° |
CB | CA | N | H20 | 90.0° | 121.3° |
N | CD | CG | H18 | 90.0° | 118.9° |
N | CD | CG | H19 | 90.0° | 119.0° |
N | CD | CG | CB | 90.0° | 37.1° |
N | CD | CG | SAO | 90.0° | 155.2° |
N | CD | CG | H15 | 90.0° | 81.1° |
N | CD | H18 | H19 | 90.0° | 122.4° |
CD | N | CA | H22 | 90.0° | 120.3° |
CD | CG | CB | SAO | 90.0° | 118.1° |
CD | CG | CB | H15 | 90.0° | 118.1° |
CD | CG | SAO | H15 | 90.0° | 123.8° |
CD | CG | SAO | CAT | 90.0° | 77.9° |
CD | CG | CB | H16 | 90.0° | 154.0° |
CD | CG | CB | H17 | 90.0° | 83.0° |
CG | CD | H18 | H19 | 90.0° | 122.2° |
CG | CD | N | H20 | 90.0° | 98.2° |
CB | CG | SAO | H15 | 90.0° | 123.8° |
CB | CG | SAO | CAT | 90.0° | 169.8° |
CG | CB | H16 | H17 | 90.0° | 123.1° |
CB | CG | CD | H18 | 90.0° | 81.8° |
CB | CG | CD | H19 | 90.0° | 156.0° |
CG | CB | CA | H22 | 90.0° | 97.1° |
CG | SAO | CAT | CAS | 90.0° | 114.6° |
CG | SAO | CAT | CAV | 90.0° | 65.4° |
SAO | CG | CB | H16 | 90.0° | 87.8° |
SAO | CG | CB | H17 | 90.0° | 35.2° |
SAO | CG | CD | H18 | 90.0° | 36.3° |
SAO | CG | CD | H19 | 90.0° | 85.8° |
OAH | CAP | OAE | CAS | 90.0° | 180.0° |
OAH | CAP | CAS | CAT | 90.0° | 5.2° |
OAH | CAP | CAS | NAN | 90.0° | 174.8° |
OAH | CAP | OAE | H14 | 90.0° | 0.0° |
SAO | CAT | CAS | CAP | 90.0° | 0.0° |
SAO | CAT | CAS | CAV | 90.0° | 180.0° |
SAO | CAT | CAS | NAN | 90.0° | 180.0° |
SAO | CAT | CAV | CAB | 90.0° | 61.2° |
SAO | CAT | CAV | CAZ | 90.0° | 180.0° |
SAO | CAT | CAV | H9 | 90.0° | 61.2° |
CAT | SAO | CG | H15 | 90.0° | 46.0° |
OAE | CAP | CAS | CAT | 90.0° | 174.8° |
OAE | CAP | CAS | NAN | 90.0° | 5.2° |
CAP | CAS | CAT | NAN | 90.0° | 180.0° |
CAP | CAS | CAT | CAV | 90.0° | 180.0° |
CAP | CAS | NAN | CAZ | 90.0° | 180.0° |
CAP | CAS | NAN | H13 | 90.0° | 0.0° |
CAS | CAP | OAE | H14 | 90.0° | 180.0° |
CAS | CAT | CAV | CAB | 90.0° | 118.8° |
CAS | CAT | CAV | CAZ | 90.0° | 0.0° |
CAT | CAS | NAN | CAZ | 90.0° | 0.0° |
CAS | CAT | CAV | H9 | 90.0° | 118.8° |
CAT | CAS | NAN | H13 | 90.0° | 180.0° |
CAV | CAT | CAS | NAN | 90.0° | 0.0° |
CAT | CAV | CAB | CAZ | 90.0° | 115.1° |
CAT | CAV | CAB | H9 | 90.0° | 122.5° |
CAT | CAV | CAZ | H9 | 90.0° | 118.9° |
CAT | CAV | CAZ | NAN | 90.0° | 0.0° |
CAT | CAV | CAZ | CBA | 90.0° | 118.8° |
CAT | CAV | CAZ | H8 | 90.0° | 118.9° |
CAT | CAV | CAB | H10 | 90.0° | 47.3° |
CAT | CAV | CAB | H11 | 90.0° | 72.8° |
CAT | CAV | CAB | H12 | 90.0° | 167.3° |
CAS | NAN | CAZ | CAV | 90.0° | 0.0° |
CAS | NAN | CAZ | H13 | 90.0° | 180.0° |
CAS | NAN | CAZ | CBA | 90.0° | 118.8° |
CAS | NAN | CAZ | H8 | 90.0° | 118.9° |
CAB | CAV | CAZ | H9 | 90.0° | 122.4° |
CAB | CAV | CAZ | NAN | 90.0° | 118.8° |
CAB | CAV | CAZ | CBA | 90.0° | 0.0° |
CAB | CAV | CAZ | H8 | 90.0° | 122.4° |
CAV | CAB | H10 | H11 | 90.0° | 120.0° |
CAV | CAB | H10 | H12 | 90.0° | 120.0° |
CAV | CAB | H11 | H12 | 90.0° | 120.0° |
CAV | CAZ | NAN | CBA | 90.0° | 118.8° |
CAV | CAZ | NAN | H8 | 90.0° | 118.9° |
CAV | CAZ | CBA | H8 | 90.0° | 122.4° |
CAV | CAZ | CBA | CAQ | 90.0° | 66.9° |
CAV | CAZ | CBA | CAU | 90.0° | 173.1° |
CAV | CAZ | CBA | H6 | 90.0° | 53.2° |
CAZ | CAV | CAB | H10 | 90.0° | 67.9° |
CAZ | CAV | CAB | H11 | 90.0° | 172.1° |
CAZ | CAV | CAB | H12 | 90.0° | 52.1° |
CAV | CAZ | NAN | H13 | 90.0° | 179.9° |
NAN | CAZ | CBA | H8 | 90.0° | 122.3° |
NAN | CAZ | CBA | CAQ | 90.0° | 48.4° |
NAN | CAZ | CBA | CAU | 90.0° | 71.5° |
NAN | CAZ | CBA | H6 | 90.0° | 168.5° |
NAN | CAZ | CAV | H9 | 90.0° | 118.8° |
CAZ | CBA | CAQ | OAF | 90.0° | 13.6° |
CAZ | CBA | CAQ | OAI | 90.0° | 166.4° |
CAZ | CBA | CAQ | CAU | 90.0° | 120.0° |
CAZ | CBA | CAQ | H6 | 90.0° | 120.0° |
CAZ | CBA | CAU | H6 | 90.0° | 120.0° |
CAZ | CBA | CAU | OAJ | 90.0° | 54.5° |
CAZ | CBA | CAU | CAA | 90.0° | 65.5° |
CAZ | CBA | CAU | H4 | 90.0° | 174.5° |
CBA | CAZ | CAV | H9 | 90.0° | 122.4° |
CBA | CAZ | NAN | H13 | 90.0° | 61.2° |
OAF | CAQ | OAI | CBA | 90.0° | 180.0° |
OAF | CAQ | CBA | CAU | 90.0° | 106.4° |
OAF | CAQ | CBA | H6 | 90.0° | 133.6° |
OAF | CAQ | OAI | H7 | 90.0° | 0.0° |
OAI | CAQ | CBA | CAU | 90.0° | 73.6° |
OAI | CAQ | CBA | H6 | 90.0° | 46.4° |
CAQ | CBA | CAU | H6 | 90.0° | 120.0° |
CAQ | CBA | CAU | OAJ | 90.0° | 65.5° |
CAQ | CBA | CAU | CAA | 90.0° | 174.5° |
CAQ | CBA | CAU | H4 | 90.0° | 54.5° |
CBA | CAQ | OAI | H7 | 90.0° | 180.0° |
CAQ | CBA | CAZ | H8 | 90.0° | 170.8° |
CBA | CAU | OAJ | CAA | 90.0° | 120.0° |
CBA | CAU | OAJ | H4 | 90.0° | 120.0° |
CBA | CAU | CAA | H4 | 90.0° | 120.0° |
CBA | CAU | CAA | H1 | 90.0° | 180.0° |
CBA | CAU | CAA | H2 | 90.0° | 60.0° |
CBA | CAU | CAA | H3 | 90.0° | 60.0° |
CBA | CAU | OAJ | H5 | 90.0° | 74.6° |
CAU | CBA | CAZ | H8 | 90.0° | 50.8° |
OAJ | CAU | CAA | H4 | 90.0° | 120.0° |
OAJ | CAU | CAA | H1 | 90.0° | 60.0° |
OAJ | CAU | CAA | H2 | 90.0° | 180.0° |
OAJ | CAU | CAA | H3 | 90.0° | 60.0° |
OAJ | CAU | CBA | H6 | 90.0° | 174.5° |
CAU | CAA | H1 | H2 | 90.0° | 119.9° |
CAU | CAA | H1 | H3 | 90.0° | 120.0° |
CAU | CAA | H2 | H3 | 90.0° | 120.0° |
CAA | CAU | OAJ | H5 | 90.0° | 45.4° |
CAA | CAU | CBA | H6 | 90.0° | 54.5° |
H1 | CAA | H2 | H3 | 90.0° | 120.1° |
H1 | CAA | CAU | H4 | 90.0° | 60.0° |
H2 | CAA | CAU | H4 | 90.0° | 60.0° |
H3 | CAA | CAU | H4 | 90.0° | 180.0° |
H4 | CAU | OAJ | H5 | 90.0° | 165.4° |
H4 | CAU | CBA | H6 | 90.0° | 65.5° |
H6 | CBA | CAZ | H8 | 90.0° | 69.2° |
H8 | CAZ | CAV | H9 | 90.0° | 0.0° |
H8 | CAZ | NAN | H13 | 90.0° | 61.1° |
H9 | CAV | CAB | H10 | 90.0° | 169.8° |
H9 | CAV | CAB | H11 | 90.0° | 49.7° |
H9 | CAV | CAB | H12 | 90.0° | 70.2° |
H10 | CAB | H11 | H12 | 90.0° | 120.0° |
H15 | CG | CB | H16 | 90.0° | 35.9° |
H15 | CG | CB | H17 | 90.0° | 158.9° |
H15 | CG | CD | H18 | 90.0° | 160.1° |
H15 | CG | CD | H19 | 90.0° | 37.9° |
H16 | CB | CA | H22 | 90.0° | 21.3° |
H17 | CB | CA | H22 | 90.0° | 144.4° |
H18 | CD | N | H20 | 90.0° | 142.9° |
H19 | CD | N | H20 | 90.0° | 20.7° |
H20 | N | CA | H22 | 90.0° | 2.0° |
H23 | CAD | H24 | H25 | 90.0° | 120.0° |
H26 | CAC | H27 | H28 | 90.0° | 120.1° |