2G5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | doub | 1.21Å | 1.28Å | |
| OE1 | CD | doub | 1.21Å | 1.27Å | |
| CD | OE2 | sing | 1.34Å | 1.26Å | |
| CD | CG | sing | 1.51Å | 1.56Å | |
| C | O | sing | 1.34Å | 1.27Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CG | CB | sing | 1.53Å | 1.54Å | |
| CB | CA | sing | 1.53Å | 1.59Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CAK | CAJ | doub | 1.38Å | 1.41Å | Aromatic |
| CAK | CAM | sing | 1.38Å | 1.41Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | CAY | doub | 1.40Å | 1.40Å | Aromatic |
| OAE | PBB | doub | 1.48Å | 1.53Å | |
| N | PBB | sing | 1.68Å | 1.66Å | |
| CAL | CAN | doub | 1.38Å | 1.40Å | Aromatic |
| CAY | CAN | sing | 1.40Å | 1.41Å | Aromatic |
| CAY | CAX | sing | 1.48Å | 1.52Å | |
| CAQ | CBA | sing | 1.53Å | 1.52Å | |
| CAQ | OAT | sing | 1.43Å | 1.44Å | |
| NAR | CAX | sing | 1.35Å | 1.34Å | |
| NAR | CBA | sing | 1.46Å | 1.49Å | |
| PBB | OAT | sing | 1.61Å | 1.58Å | |
| PBB | OAI | sing | 1.61Å | 1.50Å | |
| CAX | OAD | doub | 1.22Å | 1.24Å | |
| CBA | CAW | sing | 1.51Å | 1.53Å | |
| CAW | OAC | doub | 1.21Å | 1.25Å | |
| CAW | OAH | sing | 1.34Å | 1.23Å | |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAK | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| CAL | H4 | sing | 1.08Å | 1.08Å | |
| CAN | H5 | sing | 1.08Å | 1.08Å | |
| NAR | H6 | sing | 0.97Å | 1.00Å | |
| CBA | H7 | sing | 1.09Å | 1.10Å | |
| OAH | H8 | sing | 0.97Å | 0.95Å | |
| CAQ | H9 | sing | 1.09Å | 1.10Å | |
| CAQ | H10 | sing | 1.09Å | 1.10Å | |
| OAI | H11 | sing | 0.97Å | 0.95Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| CA | H13 | sing | 1.09Å | 1.10Å | |
| O | H14 | sing | 0.97Å | 0.95Å | |
| CB | H15 | sing | 1.09Å | 1.10Å | |
| CB | H16 | sing | 1.09Å | 1.10Å | |
| CG | H17 | sing | 1.09Å | 1.10Å | |
| CG | H18 | sing | 1.09Å | 1.10Å | |
| OE2 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 126.5° | 120.0° |
| OXT | C | CA | 114.8° | 120.0° |
| OE1 | CD | OE2 | 124.7° | 120.0° |
| OE1 | CD | CG | 118.7° | 120.0° |
| OE2 | CD | CG | 116.4° | 120.0° |
| CD | OE2 | H19 | 109.5° | 117.0° |
| CD | CG | CB | 114.5° | 109.5° |
| CD | CG | H17 | 108.2° | 109.5° |
| CD | CG | H18 | 108.2° | 109.4° |
| O | C | CA | 118.6° | 120.0° |
| C | O | H14 | 109.5° | 117.0° |
| C | CA | CB | 107.1° | 109.5° |
| C | CA | N | 112.3° | 109.5° |
| C | CA | H13 | 108.4° | 109.5° |
| CG | CB | CA | 111.2° | 109.5° |
| CG | CB | H15 | 109.1° | 109.4° |
| CG | CB | H16 | 109.0° | 109.5° |
| CB | CG | H17 | 108.2° | 109.5° |
| CB | CG | H18 | 108.2° | 109.5° |
| CB | CA | N | 112.1° | 109.5° |
| CB | CA | H13 | 107.8° | 109.4° |
| CA | CB | H15 | 109.0° | 109.5° |
| CA | CB | H16 | 109.0° | 109.5° |
| CA | N | PBB | 114.6° | 111.0° |
| CA | N | H12 | 108.2° | 111.0° |
| N | CA | H13 | 109.1° | 109.5° |
| CAJ | CAK | CAM | 119.9° | 120.1° |
| CAK | CAJ | CAL | 120.8° | 120.3° |
| CAJ | CAK | H2 | 120.0° | 120.0° |
| CAK | CAJ | H3 | 119.6° | 119.8° |
| CAK | CAM | CAY | 118.9° | 119.8° |
| CAK | CAM | H1 | 120.5° | 120.1° |
| CAM | CAK | H2 | 120.0° | 119.9° |
| CAJ | CAL | CAN | 119.5° | 120.1° |
| CAL | CAJ | H3 | 119.6° | 119.9° |
| CAJ | CAL | H4 | 120.2° | 119.9° |
| CAM | CAY | CAN | 121.1° | 119.7° |
| CAM | CAY | CAX | 121.2° | 120.1° |
| CAY | CAM | H1 | 120.5° | 120.1° |
| OAE | PBB | N | 109.2° | 109.5° |
| OAE | PBB | OAT | 108.6° | 109.5° |
| OAE | PBB | OAI | 115.9° | 109.5° |
| N | PBB | OAT | 107.4° | 109.5° |
| N | PBB | OAI | 110.6° | 109.5° |
| PBB | N | H12 | 108.2° | 111.0° |
| CAL | CAN | CAY | 119.7° | 119.9° |
| CAN | CAL | H4 | 120.3° | 120.0° |
| CAL | CAN | H5 | 120.1° | 120.0° |
| CAN | CAY | CAX | 117.7° | 120.1° |
| CAY | CAN | H5 | 120.2° | 120.1° |
| CAY | CAX | NAR | 117.3° | 120.0° |
| CAY | CAX | OAD | 119.1° | 120.0° |
| CBA | CAQ | OAT | 108.1° | 109.4° |
| CAQ | CBA | NAR | 111.8° | 109.5° |
| CAQ | CBA | CAW | 108.5° | 109.5° |
| CAQ | CBA | H7 | 108.7° | 109.5° |
| CBA | CAQ | H9 | 109.8° | 109.5° |
| CBA | CAQ | H10 | 109.8° | 109.5° |
| CAQ | OAT | PBB | 116.4° | 123.0° |
| OAT | CAQ | H9 | 109.8° | 109.4° |
| OAT | CAQ | H10 | 109.8° | 109.5° |
| CAX | NAR | CBA | 117.8° | 120.1° |
| NAR | CAX | OAD | 123.5° | 120.0° |
| CAX | NAR | H6 | 121.1° | 120.0° |
| NAR | CBA | CAW | 110.3° | 109.5° |
| CBA | NAR | H6 | 121.1° | 120.0° |
| NAR | CBA | H7 | 109.0° | 109.4° |
| OAT | PBB | OAI | 104.7° | 109.5° |
| PBB | OAI | H11 | 109.5° | 114.0° |
| CBA | CAW | OAC | 117.5° | 120.0° |
| CBA | CAW | OAH | 117.2° | 120.0° |
| CAW | CBA | H7 | 108.5° | 109.4° |
| OAC | CAW | OAH | 125.2° | 120.0° |
| CAW | OAH | H8 | 109.5° | 117.0° |
| H9 | CAQ | H10 | 109.5° | 109.5° |
| H15 | CB | H16 | 109.5° | 109.5° |
| H17 | CG | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 176.2° | 179.9° |
| OXT | C | CA | CB | 78.0° | 120.0° |
| OXT | C | CA | N | 158.6° | 0.1° |
| OXT | C | CA | H13 | 38.0° | 120.1° |
| OXT | C | O | H14 | 0.0° | 0.1° |
| OE1 | CD | OE2 | CG | 174.9° | 180.0° |
| OE1 | CD | CG | CB | 18.3° | 0.1° |
| OE1 | CD | CG | H17 | 102.4° | 120.0° |
| OE1 | CD | CG | H18 | 139.1° | 120.1° |
| OE1 | CD | OE2 | H19 | 0.0° | 0.0° |
| OE2 | CD | CG | CB | 166.5° | 180.0° |
| OE2 | CD | CG | H17 | 72.8° | 60.0° |
| OE2 | CD | CG | H18 | 45.7° | 60.0° |
| CD | CG | CB | H17 | 120.7° | 120.0° |
| CD | CG | CB | H18 | 120.8° | 120.0° |
| CD | CG | CB | CA | 168.4° | 180.0° |
| CD | CG | CB | H15 | 71.3° | 60.0° |
| CD | CG | CB | H16 | 48.2° | 60.0° |
| CD | CG | H17 | H18 | 117.7° | 120.0° |
| CG | CD | OE2 | H19 | 174.9° | 180.0° |
| O | C | CA | CB | 98.6° | 59.9° |
| O | C | CA | N | 24.8° | 180.0° |
| O | C | CA | H13 | 145.4° | 60.0° |
| C | CA | CB | CG | 70.4° | 175.0° |
| C | CA | CB | N | 123.6° | 120.1° |
| C | CA | CB | H13 | 116.4° | 120.0° |
| C | CA | N | H13 | 120.2° | 120.0° |
| C | CA | N | PBB | 77.5° | 95.0° |
| C | CA | N | H12 | 43.3° | 29.0° |
| CA | C | O | H14 | 176.1° | 180.0° |
| C | CA | CB | H15 | 169.3° | 65.0° |
| C | CA | CB | H16 | 49.8° | 55.0° |
| CG | CB | CA | H15 | 120.3° | 120.0° |
| CG | CB | CA | H16 | 120.2° | 120.0° |
| CG | CB | CA | N | 53.2° | 65.0° |
| CG | CB | CA | H13 | 173.2° | 55.0° |
| CG | CB | H15 | H16 | 119.2° | 120.0° |
| CB | CG | H17 | H18 | 117.7° | 120.0° |
| CB | CA | N | H13 | 119.2° | 119.9° |
| CB | CA | N | PBB | 161.9° | 145.0° |
| CB | CA | N | H12 | 77.3° | 91.1° |
| CA | CB | H15 | H16 | 119.2° | 120.0° |
| CA | CB | CG | H17 | 47.7° | 60.0° |
| CA | CB | CG | H18 | 70.8° | 60.0° |
| CA | N | PBB | OAE | 24.3° | 180.0° |
| CA | N | PBB | H12 | 120.8° | 123.9° |
| CA | N | PBB | OAT | 141.9° | 60.0° |
| CA | N | PBB | OAI | 104.4° | 60.0° |
| N | CA | CB | H15 | 67.1° | 55.0° |
| N | CA | CB | H16 | 173.4° | 175.0° |
| CAJ | CAK | CAM | H2 | 180.0° | 180.0° |
| CAK | CAJ | CAL | H3 | 180.0° | 179.9° |
| CAJ | CAK | CAM | CAY | 0.2° | 0.0° |
| CAK | CAJ | CAL | CAN | 0.3° | 0.1° |
| CAJ | CAK | CAM | H1 | 179.7° | 179.8° |
| CAK | CAJ | CAL | H4 | 179.7° | 179.9° |
| CAM | CAK | CAJ | CAL | 0.2° | 0.0° |
| CAK | CAM | CAY | H1 | 180.0° | 179.8° |
| CAK | CAM | CAY | CAN | 0.7° | 0.0° |
| CAK | CAM | CAY | CAX | 179.5° | 179.8° |
| CAM | CAK | CAJ | H3 | 179.8° | 180.0° |
| CAJ | CAL | CAN | H4 | 180.0° | 180.0° |
| CAJ | CAL | CAN | CAY | 0.1° | 0.1° |
| CAL | CAJ | CAK | H2 | 179.8° | 180.0° |
| CAJ | CAL | CAN | H5 | 179.9° | 180.0° |
| CAM | CAY | CAN | CAL | 0.6° | 0.0° |
| CAM | CAY | CAN | CAX | 178.8° | 179.8° |
| CAM | CAY | CAX | NAR | 8.9° | 180.0° |
| CAM | CAY | CAX | OAD | 168.0° | 0.0° |
| CAY | CAM | CAK | H2 | 179.7° | 180.0° |
| CAM | CAY | CAN | H5 | 179.4° | 180.0° |
| OAE | PBB | N | OAT | 117.6° | 120.0° |
| OAE | PBB | N | OAI | 128.7° | 120.0° |
| OAE | PBB | OAT | CAQ | 50.8° | 50.0° |
| OAE | PBB | OAT | OAI | 124.5° | 120.0° |
| OAE | PBB | OAI | H11 | 0.0° | 180.0° |
| OAE | PBB | N | H12 | 96.5° | 56.0° |
| N | PBB | OAT | CAQ | 67.1° | 70.0° |
| N | PBB | OAT | OAI | 117.6° | 120.0° |
| N | PBB | OAI | H11 | 125.0° | 60.0° |
| PBB | N | CA | H13 | 42.7° | 25.0° |
| CAL | CAN | CAY | H5 | 180.0° | 179.9° |
| CAL | CAN | CAY | CAX | 179.5° | 179.8° |
| CAN | CAL | CAJ | H3 | 179.7° | 180.0° |
| CAN | CAY | CAX | NAR | 172.3° | 0.3° |
| CAN | CAY | CAX | OAD | 10.8° | 179.8° |
| CAN | CAY | CAM | H1 | 179.3° | 179.8° |
| CAY | CAN | CAL | H4 | 179.9° | 179.9° |
| CAY | CAX | NAR | OAD | 176.8° | 180.0° |
| CAY | CAX | NAR | CBA | 178.9° | 180.0° |
| CAX | CAY | CAM | H1 | 0.5° | 0.0° |
| CAX | CAY | CAN | H5 | 0.6° | 0.3° |
| CAY | CAX | NAR | H6 | 1.1° | 0.0° |
| CBA | CAQ | OAT | H9 | 119.8° | 120.0° |
| CBA | CAQ | OAT | H10 | 119.8° | 120.0° |
| CAQ | CBA | NAR | CAX | 173.9° | 155.0° |
| CAQ | CBA | NAR | CAW | 120.8° | 120.1° |
| CAQ | CBA | NAR | H7 | 120.2° | 120.0° |
| CBA | CAQ | OAT | PBB | 162.2° | 180.0° |
| CAQ | CBA | CAW | H7 | 117.9° | 120.0° |
| CAQ | CBA | CAW | OAC | 76.8° | 120.0° |
| CAQ | CBA | CAW | OAH | 106.5° | 60.0° |
| CAQ | CBA | NAR | H6 | 6.0° | 25.1° |
| CBA | CAQ | H9 | H10 | 120.6° | 120.1° |
| OAT | CAQ | CBA | NAR | 165.5° | 65.1° |
| CAQ | OAT | PBB | OAI | 175.3° | 170.0° |
| OAT | CAQ | CBA | CAW | 43.6° | 55.0° |
| OAT | CAQ | CBA | H7 | 74.1° | 175.0° |
| OAT | CAQ | H9 | H10 | 120.6° | 120.0° |
| CAX | NAR | CBA | H6 | 180.0° | 180.0° |
| CAX | NAR | CBA | CAW | 65.2° | 84.9° |
| CAX | NAR | CBA | H7 | 53.8° | 35.0° |
| CBA | NAR | CAX | OAD | 4.3° | 0.1° |
| NAR | CBA | CAW | H7 | 119.4° | 119.9° |
| NAR | CBA | CAW | OAC | 45.9° | 0.0° |
| NAR | CBA | CAW | OAH | 130.8° | 180.0° |
| NAR | CBA | CAQ | H9 | 74.7° | 175.0° |
| NAR | CBA | CAQ | H10 | 45.7° | 54.9° |
| PBB | OAT | CAQ | H9 | 42.5° | 60.0° |
| PBB | OAT | CAQ | H10 | 78.0° | 60.0° |
| OAT | PBB | OAI | H11 | 119.7° | 60.0° |
| OAT | PBB | N | H12 | 21.1° | 176.0° |
| OAI | PBB | N | H12 | 134.8° | 64.0° |
| OAD | CAX | NAR | H6 | 175.7° | 180.0° |
| CBA | CAW | OAC | OAH | 176.4° | 180.0° |
| CAW | CBA | NAR | H6 | 114.8° | 95.0° |
| CBA | CAW | OAH | H8 | 176.5° | 180.0° |
| CAW | CBA | CAQ | H9 | 163.4° | 64.9° |
| CAW | CBA | CAQ | H10 | 76.2° | 175.0° |
| OAC | CAW | CBA | H7 | 165.3° | 120.0° |
| OAC | CAW | OAH | H8 | 0.0° | 0.0° |
| OAH | CAW | CBA | H7 | 11.4° | 60.1° |
| H1 | CAM | CAK | H2 | 0.3° | 0.2° |
| H2 | CAK | CAJ | H3 | 0.2° | 0.0° |
| H3 | CAJ | CAL | H4 | 0.3° | 0.0° |
| H4 | CAL | CAN | H5 | 0.1° | 0.0° |
| H6 | NAR | CBA | H7 | 126.2° | 145.0° |
| H7 | CBA | CAQ | H9 | 45.6° | 55.1° |
| H7 | CBA | CAQ | H10 | 166.1° | 65.0° |
| H12 | N | CA | H13 | 163.5° | 149.0° |
| H13 | CA | CB | H15 | 52.9° | 175.0° |
| H13 | CA | CB | H16 | 66.6° | 65.0° |
| H15 | CB | CG | H17 | 167.9° | 180.0° |
| H15 | CB | CG | H18 | 49.4° | 60.0° |
| H16 | CB | CG | H17 | 72.6° | 60.0° |
| H16 | CB | CG | H18 | 168.9° | 180.0° |
