4GW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | PBU | doub | 1.48Å | 1.50Å | |
| OAO | PBU | sing | 1.61Å | 1.51Å | |
| PBU | OBA | sing | 1.61Å | 1.55Å | |
| PBU | OAH | sing | 1.61Å | 1.52Å | |
| OBA | PBT | sing | 1.61Å | 1.55Å | |
| C5' | O5' | sing | 1.43Å | 1.39Å | |
| C5' | C4' | sing | 1.53Å | 1.48Å | |
| O5' | PBT | sing | 1.61Å | 1.55Å | |
| O4' | C4' | sing | 1.44Å | 1.40Å | |
| O4' | C1' | sing | 1.44Å | 1.48Å | |
| PBT | OAN | doub | 1.48Å | 1.51Å | |
| PBT | OAG | sing | 1.61Å | 1.52Å | |
| C4' | C3' | sing | 1.54Å | 1.49Å | |
| CAP | CAQ | sing | 1.36Å | 1.43Å | Aromatic |
| CAP | CBE | doub | 1.37Å | 1.40Å | Aromatic |
| CAQ | CBF | doub | 1.37Å | 1.40Å | Aromatic |
| CBE | CBD | sing | 1.41Å | 1.48Å | |
| CBE | SBB | sing | 1.76Å | 1.69Å | Aromatic |
| CBD | OAD | doub | 1.22Å | 1.38Å | |
| C1' | NBS | sing | 1.47Å | 1.47Å | |
| C1' | C2' | sing | 1.55Å | 1.48Å | |
| CAR | NBS | sing | 1.36Å | 1.35Å | |
| CAR | CBG | doub | 1.37Å | 1.40Å | |
| C3' | O3' | sing | 1.43Å | 1.36Å | |
| C3' | C2' | sing | 1.55Å | 1.47Å | |
| CBF | CBG | sing | 1.48Å | 1.51Å | |
| CBF | SBB | sing | 1.76Å | 1.70Å | Aromatic |
| O2' | C2' | sing | 1.43Å | 1.39Å | |
| NBS | CBI | sing | 1.34Å | 1.34Å | |
| CBG | CBH | sing | 1.47Å | 1.39Å | |
| CBI | OAF | doub | 1.22Å | 1.22Å | |
| CBI | NAV | sing | 1.34Å | 1.34Å | |
| CBH | NAV | sing | 1.35Å | 1.35Å | |
| CBH | OAE | doub | 1.22Å | 1.38Å | |
| CBD | H1 | sing | 1.08Å | 1.08Å | |
| CAP | H4 | sing | 1.08Å | 1.08Å | |
| CAQ | H5 | sing | 1.08Å | 1.08Å | |
| CAR | H7 | sing | 1.08Å | 1.08Å | |
| NAV | H8 | sing | 0.97Å | 1.00Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| O2' | H11 | sing | 0.97Å | 0.95Å | |
| C3' | H12 | sing | 1.09Å | 1.10Å | |
| O3' | H13 | sing | 0.97Å | 0.95Å | |
| C4' | H14 | sing | 1.09Å | 1.10Å | |
| C5' | H15 | sing | 1.09Å | 1.10Å | |
| C5' | H16 | sing | 1.09Å | 1.10Å | |
| OAG | H17 | sing | 0.97Å | 0.95Å | |
| OAO | H18 | sing | 0.97Å | 0.95Å | |
| OAH | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | PBU | OAO | 111.3° | 109.5° |
| O1 | PBU | OBA | 109.1° | 109.5° |
| O1 | PBU | OAH | 108.4° | 109.5° |
| OAO | PBU | OBA | 110.0° | 109.5° |
| OAO | PBU | OAH | 106.2° | 109.5° |
| PBU | OAO | H18 | 109.5° | 114.0° |
| OBA | PBU | OAH | 111.8° | 109.4° |
| PBU | OBA | PBT | 122.6° | 133.9° |
| PBU | OAH | H19 | 109.5° | 114.0° |
| OBA | PBT | O5' | 108.0° | 109.4° |
| OBA | PBT | OAN | 111.3° | 109.5° |
| OBA | PBT | OAG | 109.2° | 109.5° |
| O5' | C5' | C4' | 117.5° | 109.5° |
| C5' | O5' | PBT | 118.9° | 123.0° |
| O5' | C5' | H15 | 107.4° | 109.5° |
| O5' | C5' | H16 | 107.4° | 109.4° |
| C5' | C4' | O4' | 111.6° | 109.9° |
| C5' | C4' | C3' | 113.2° | 109.9° |
| C5' | C4' | H14 | 108.8° | 110.0° |
| C4' | C5' | H15 | 107.4° | 109.5° |
| C4' | C5' | H16 | 107.4° | 109.5° |
| O5' | PBT | OAN | 109.1° | 109.5° |
| O5' | PBT | OAG | 110.6° | 109.4° |
| C4' | O4' | C1' | 106.7° | 107.0° |
| O4' | C4' | C3' | 104.7° | 107.3° |
| O4' | C4' | H14 | 109.9° | 109.9° |
| O4' | C1' | NBS | 111.8° | 110.6° |
| O4' | C1' | C2' | 105.4° | 103.5° |
| O4' | C1' | H9 | 108.5° | 110.8° |
| OAN | PBT | OAG | 108.6° | 109.5° |
| PBT | OAG | H17 | 109.5° | 114.1° |
| C4' | C3' | O3' | 114.0° | 110.5° |
| C4' | C3' | C2' | 101.4° | 104.2° |
| C4' | C3' | H12 | 108.5° | 110.6° |
| C3' | C4' | H14 | 108.6° | 109.9° |
| CAQ | CAP | CBE | 113.9° | 114.6° |
| CAP | CAQ | CBF | 114.2° | 114.8° |
| CAQ | CAP | H4 | 123.0° | 122.7° |
| CAP | CAQ | H5 | 122.9° | 122.6° |
| CAP | CBE | CBD | 126.7° | 125.2° |
| CAP | CBE | SBB | 107.0° | 109.7° |
| CBE | CAP | H4 | 123.1° | 122.7° |
| CAQ | CBF | CBG | 125.4° | 125.1° |
| CAQ | CBF | SBB | 106.3° | 109.7° |
| CBF | CAQ | H5 | 122.9° | 122.6° |
| CBD | CBE | SBB | 126.2° | 125.2° |
| CBE | CBD | OAD | 116.5° | 120.0° |
| CBE | CBD | H1 | 121.8° | 119.9° |
| CBE | SBB | CBF | 98.5° | 91.2° |
| OAD | CBD | H1 | 121.7° | 120.1° |
| NBS | C1' | C2' | 113.5° | 110.6° |
| C1' | NBS | CAR | 120.4° | 119.3° |
| C1' | NBS | CBI | 119.3° | 119.3° |
| NBS | C1' | H9 | 108.8° | 110.5° |
| C1' | C2' | C3' | 100.1° | 102.1° |
| C1' | C2' | O2' | 110.2° | 110.9° |
| C2' | C1' | H9 | 108.6° | 110.7° |
| C1' | C2' | H10 | 111.0° | 110.9° |
| NBS | CAR | CBG | 120.3° | 119.4° |
| CAR | NBS | CBI | 120.3° | 121.5° |
| NBS | CAR | H7 | 119.8° | 120.3° |
| CAR | CBG | CBF | 121.3° | 120.9° |
| CAR | CBG | CBH | 117.1° | 118.3° |
| CBG | CAR | H7 | 119.8° | 120.3° |
| O3' | C3' | C2' | 113.3° | 110.5° |
| O3' | C3' | H12 | 110.3° | 110.4° |
| C3' | O3' | H13 | 109.5° | 114.0° |
| C3' | C2' | O2' | 111.3° | 111.0° |
| C3' | C2' | H10 | 111.1° | 110.9° |
| C2' | C3' | H12 | 108.8° | 110.5° |
| CBG | CBF | SBB | 128.1° | 125.2° |
| CBF | CBG | CBH | 121.2° | 120.9° |
| O2' | C2' | H10 | 112.5° | 110.8° |
| C2' | O2' | H11 | 109.5° | 114.0° |
| NBS | CBI | OAF | 119.7° | 119.0° |
| NBS | CBI | NAV | 120.8° | 121.9° |
| CBG | CBH | NAV | 120.2° | 118.6° |
| CBG | CBH | OAE | 119.9° | 120.7° |
| OAF | CBI | NAV | 119.4° | 119.0° |
| CBI | NAV | CBH | 121.0° | 120.4° |
| CBI | NAV | H8 | 119.5° | 119.8° |
| NAV | CBH | OAE | 119.8° | 120.7° |
| CBH | NAV | H8 | 119.5° | 119.8° |
| H15 | C5' | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | PBU | OAO | OBA | 121.0° | 120.0° |
| O1 | PBU | OAO | OAH | 117.8° | 120.0° |
| O1 | PBU | OBA | OAH | 119.9° | 120.0° |
| O1 | PBU | OBA | PBT | 107.9° | 40.0° |
| O1 | PBU | OAO | H18 | 0.0° | 180.0° |
| O1 | PBU | OAH | H19 | 0.0° | 60.0° |
| OAO | PBU | OBA | OAH | 117.7° | 120.0° |
| OAO | PBU | OBA | PBT | 129.7° | 80.0° |
| OAO | PBU | OAH | H19 | 119.7° | 60.0° |
| PBU | OBA | PBT | O5' | 153.3° | 165.0° |
| PBU | OBA | PBT | OAN | 33.5° | 45.0° |
| PBU | OBA | PBT | OAG | 86.4° | 75.0° |
| OBA | PBU | OAO | H18 | 121.0° | 60.0° |
| OBA | PBU | OAH | H19 | 120.3° | 180.0° |
| OAH | PBU | OBA | PBT | 12.0° | 160.0° |
| OAH | PBU | OAO | H18 | 117.8° | 60.0° |
| OBA | PBT | O5' | C5' | 85.7° | 175.0° |
| OBA | PBT | O5' | OAN | 121.2° | 120.0° |
| OBA | PBT | O5' | OAG | 119.4° | 119.9° |
| OBA | PBT | OAN | OAG | 120.3° | 120.0° |
| OBA | PBT | OAG | H17 | 121.6° | 60.0° |
| O5' | C5' | C4' | H15 | 121.2° | 120.0° |
| O5' | C5' | C4' | H16 | 121.1° | 120.0° |
| O5' | C5' | C4' | O4' | 65.9° | 66.5° |
| C5' | O5' | PBT | OAN | 35.5° | 55.0° |
| C5' | O5' | PBT | OAG | 154.9° | 65.1° |
| O5' | C5' | C4' | C3' | 51.9° | 175.7° |
| O5' | C5' | C4' | H14 | 172.7° | 54.6° |
| O5' | C5' | H15 | H16 | 116.4° | 120.0° |
| C4' | C5' | O5' | PBT | 112.2° | 180.0° |
| C5' | C4' | O4' | C3' | 122.8° | 119.4° |
| C5' | C4' | O4' | H14 | 120.7° | 121.2° |
| C5' | C4' | O4' | C1' | 142.1° | 145.9° |
| C5' | C4' | C3' | H14 | 120.9° | 121.2° |
| C5' | C4' | C3' | O3' | 74.9° | 119.9° |
| C5' | C4' | C3' | C2' | 162.9° | 121.4° |
| C5' | C4' | C3' | H12 | 48.4° | 2.7° |
| C4' | C5' | H15 | H16 | 116.3° | 120.1° |
| O5' | PBT | OAN | OAG | 120.6° | 120.0° |
| PBT | O5' | C5' | H15 | 9.0° | 60.0° |
| PBT | O5' | C5' | H16 | 126.7° | 60.0° |
| O5' | PBT | OAG | H17 | 119.7° | 60.0° |
| O4' | C4' | C3' | H14 | 117.4° | 119.4° |
| C4' | O4' | C1' | NBS | 114.4° | 158.6° |
| C4' | O4' | C1' | C2' | 9.4° | 40.1° |
| O4' | C4' | C3' | O3' | 163.3° | 120.7° |
| O4' | C4' | C3' | C2' | 41.2° | 2.0° |
| C4' | O4' | C1' | H9 | 125.6° | 78.5° |
| O4' | C4' | C3' | H12 | 73.3° | 116.7° |
| O4' | C4' | C5' | H15 | 172.9° | 173.6° |
| O4' | C4' | C5' | H16 | 55.2° | 53.5° |
| C1' | O4' | C4' | C3' | 19.4° | 26.5° |
| O4' | C1' | NBS | C2' | 119.1° | 114.1° |
| O4' | C1' | NBS | H9 | 119.8° | 123.0° |
| O4' | C1' | C2' | H9 | 116.2° | 118.7° |
| O4' | C1' | NBS | CAR | 21.4° | 130.9° |
| O4' | C1' | C2' | C3' | 34.2° | 37.1° |
| O4' | C1' | C2' | O2' | 83.1° | 155.3° |
| O4' | C1' | NBS | CBI | 159.7° | 49.0° |
| O4' | C1' | C2' | H10 | 151.6° | 81.1° |
| C1' | O4' | C4' | H14 | 97.1° | 92.9° |
| OAN | PBT | OAG | H17 | 0.0° | 180.0° |
| C4' | C3' | C2' | C1' | 45.3° | 20.9° |
| C4' | C3' | O3' | C2' | 115.3° | 114.8° |
| C4' | C3' | O3' | H12 | 122.4° | 122.7° |
| C4' | C3' | C2' | H12 | 114.3° | 118.8° |
| C4' | C3' | C2' | O2' | 71.2° | 139.1° |
| C4' | C3' | C2' | H10 | 162.7° | 97.3° |
| C4' | C3' | O3' | H13 | 80.2° | 176.2° |
| C3' | C4' | C5' | H15 | 69.2° | 55.7° |
| C3' | C4' | C5' | H16 | 173.1° | 64.3° |
| CAQ | CAP | CBE | H4 | 180.0° | 179.9° |
| CAP | CAQ | CBF | H5 | 180.0° | 179.9° |
| CAQ | CAP | CBE | CBD | 179.4° | 180.0° |
| CAQ | CAP | CBE | SBB | 0.2° | 0.3° |
| CAP | CAQ | CBF | CBG | 176.6° | 180.0° |
| CAP | CAQ | CBF | SBB | 0.8° | 0.1° |
| CBE | CAP | CAQ | CBF | 0.7° | 0.1° |
| CAP | CBE | CBD | SBB | 179.5° | 179.7° |
| CAP | CBE | CBD | OAD | 165.6° | 179.6° |
| CAP | CBE | SBB | CBF | 0.2° | 0.3° |
| CAP | CBE | CBD | H1 | 14.4° | 0.0° |
| CBE | CAP | CAQ | H5 | 179.3° | 180.0° |
| CAQ | CBF | SBB | CBE | 0.5° | 0.2° |
| CAQ | CBF | CBG | CAR | 6.8° | 115.3° |
| CAQ | CBF | CBG | SBB | 175.0° | 179.9° |
| CAQ | CBF | CBG | CBH | 179.2° | 65.0° |
| CBF | CAQ | CAP | H4 | 179.3° | 180.0° |
| CBE | CBD | OAD | H1 | 180.0° | 179.7° |
| CBD | CBE | SBB | CBF | 179.8° | 180.0° |
| CBD | CBE | CAP | H4 | 0.6° | 0.1° |
| SBB | CBE | CBD | OAD | 14.9° | 0.0° |
| CBE | SBB | CBF | CBG | 176.3° | 179.9° |
| SBB | CBE | CBD | H1 | 165.1° | 179.7° |
| SBB | CBE | CAP | H4 | 179.8° | 179.8° |
| NBS | C1' | C2' | H9 | 121.2° | 122.8° |
| C1' | NBS | CAR | CBI | 178.9° | 180.0° |
| C1' | NBS | CAR | CBG | 178.5° | 180.0° |
| NBS | C1' | C2' | C3' | 88.4° | 155.5° |
| NBS | C1' | C2' | O2' | 154.3° | 86.2° |
| C1' | NBS | CBI | OAF | 1.0° | 0.1° |
| C1' | NBS | CBI | NAV | 179.5° | 179.7° |
| C1' | NBS | CAR | H7 | 1.6° | 0.0° |
| NBS | C1' | C2' | H10 | 29.0° | 37.3° |
| C2' | C1' | NBS | CAR | 97.7° | 115.0° |
| C1' | C2' | C3' | O3' | 167.9° | 97.8° |
| C1' | C2' | C3' | O2' | 116.5° | 118.2° |
| C1' | C2' | C3' | H10 | 117.4° | 118.2° |
| C1' | C2' | O2' | H10 | 124.5° | 123.6° |
| C2' | C1' | NBS | CBI | 81.2° | 65.0° |
| C1' | C2' | O2' | H11 | 180.0° | 180.0° |
| C1' | C2' | C3' | H12 | 69.0° | 139.7° |
| NBS | CAR | CBG | H7 | 180.0° | 180.0° |
| NBS | CAR | CBG | CBF | 177.1° | 180.0° |
| NBS | CAR | CBG | CBH | 4.5° | 0.3° |
| CAR | NBS | CBI | OAF | 177.9° | 180.0° |
| CAR | NBS | CBI | NAV | 0.5° | 0.3° |
| CAR | NBS | C1' | H9 | 141.2° | 7.9° |
| CAR | CBG | CBF | CBH | 172.3° | 179.7° |
| CAR | CBG | CBF | SBB | 168.1° | 64.8° |
| CBG | CAR | NBS | CBI | 2.6° | 0.0° |
| CAR | CBG | CBH | NAV | 4.4° | 0.3° |
| CAR | CBG | CBH | OAE | 179.5° | 179.8° |
| O3' | C3' | C2' | H12 | 123.1° | 122.5° |
| O3' | C3' | C2' | O2' | 51.4° | 20.4° |
| O3' | C3' | C2' | H10 | 74.7° | 144.0° |
| O3' | C3' | C4' | H14 | 45.9° | 1.3° |
| C3' | C2' | O2' | H10 | 125.4° | 123.6° |
| C3' | C2' | C1' | H9 | 150.4° | 81.6° |
| C3' | C2' | O2' | H11 | 69.9° | 67.2° |
| C2' | C3' | O3' | H13 | 164.4° | 61.4° |
| C2' | C3' | C4' | H14 | 76.2° | 117.4° |
| CBF | CBG | CBH | NAV | 177.1° | 180.0° |
| CBF | CBG | CBH | OAE | 6.9° | 0.1° |
| CBG | CBF | CAQ | H5 | 3.4° | 0.1° |
| CBF | CBG | CAR | H7 | 2.9° | 0.1° |
| SBB | CBF | CBG | CBH | 4.2° | 114.8° |
| SBB | CBF | CAQ | H5 | 179.2° | 179.8° |
| O2' | C2' | C1' | H9 | 33.1° | 36.6° |
| O2' | C2' | C3' | H12 | 174.5° | 102.1° |
| NBS | CBI | OAF | NAV | 178.5° | 179.7° |
| NBS | CBI | NAV | CBH | 0.5° | 0.3° |
| CBI | NBS | CAR | H7 | 177.4° | 180.0° |
| NBS | CBI | NAV | H8 | 179.5° | 179.8° |
| CBI | NBS | C1' | H9 | 39.9° | 172.1° |
| CBG | CBH | NAV | CBI | 2.5° | 0.0° |
| CBG | CBH | NAV | OAE | 176.1° | 179.9° |
| CBH | CBG | CAR | H7 | 175.5° | 179.7° |
| CBG | CBH | NAV | H8 | 177.5° | 179.9° |
| OAF | CBI | NAV | CBH | 178.0° | 179.9° |
| OAF | CBI | NAV | H8 | 2.0° | 0.1° |
| CBI | NAV | CBH | H8 | 180.0° | 179.9° |
| CBI | NAV | CBH | OAE | 178.6° | 179.9° |
| OAE | CBH | NAV | H8 | 1.4° | 0.0° |
| H4 | CAP | CAQ | H5 | 0.7° | 0.1° |
| H9 | C1' | C2' | H10 | 92.2° | 160.1° |
| H10 | C2' | O2' | H11 | 55.5° | 56.4° |
| H10 | C2' | C3' | H12 | 48.4° | 21.5° |
| H12 | C3' | O3' | H13 | 42.2° | 61.1° |
| H12 | C3' | C4' | H14 | 169.3° | 123.9° |
| H14 | C4' | C5' | H15 | 51.6° | 65.3° |
| H14 | C4' | C5' | H16 | 66.1° | 174.6° |
