2G2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | doub | 1.21Å | 1.25Å | |
| OAK | CAY | doub | 1.21Å | 1.27Å | |
| OAH | CAU | doub | 1.21Å | 1.27Å | |
| C | O | sing | 1.34Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.57Å | |
| CAU | OAB | sing | 1.34Å | 1.27Å | |
| CAU | CAM | sing | 1.51Å | 1.55Å | |
| CAY | OAF | sing | 1.34Å | 1.25Å | |
| CAY | CBB | sing | 1.51Å | 1.53Å | |
| CAM | CAP | sing | 1.53Å | 1.54Å | |
| CAP | CBB | sing | 1.53Å | 1.61Å | |
| CA | CB | sing | 1.53Å | 1.58Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CBB | NAS | sing | 1.47Å | 1.49Å | |
| CB | CAN | sing | 1.53Å | 1.55Å | |
| OAG | PBC | doub | 1.48Å | 1.50Å | |
| NAS | PBC | sing | 1.68Å | 1.63Å | |
| CAN | CAV | sing | 1.51Å | 1.57Å | |
| CAQ | CBA | sing | 1.53Å | 1.52Å | |
| CAQ | OAT | sing | 1.43Å | 1.41Å | |
| CAV | OAC | doub | 1.21Å | 1.23Å | |
| CAV | NAR | sing | 1.35Å | 1.34Å | |
| PBC | OAT | sing | 1.61Å | 1.57Å | |
| PBC | OAL | sing | 1.61Å | 1.54Å | |
| NAR | CBA | sing | 1.47Å | 1.52Å | |
| CBA | CAX | sing | 1.51Å | 1.56Å | |
| CAX | OAE | doub | 1.21Å | 1.23Å | |
| CAX | OAJ | sing | 1.34Å | 1.24Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| NAR | H10 | sing | 0.97Å | 1.00Å | |
| CBA | H11 | sing | 1.09Å | 1.10Å | |
| OAJ | H12 | sing | 0.97Å | 0.95Å | |
| CAQ | H13 | sing | 1.09Å | 1.10Å | |
| CAQ | H14 | sing | 1.09Å | 1.10Å | |
| OAL | H15 | sing | 0.97Å | 0.95Å | |
| NAS | H16 | sing | 1.01Å | 1.00Å | |
| CBB | H17 | sing | 1.09Å | 1.10Å | |
| OAF | H18 | sing | 0.97Å | 0.95Å | |
| CAP | H19 | sing | 1.09Å | 1.10Å | |
| CAP | H20 | sing | 1.09Å | 1.10Å | |
| CAM | H21 | sing | 1.09Å | 1.10Å | |
| CAM | H22 | sing | 1.09Å | 1.10Å | |
| OAB | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 122.8° | 120.0° |
| OXT | C | CA | 119.9° | 119.9° |
| OAK | CAY | OAF | 124.4° | 120.0° |
| OAK | CAY | CBB | 116.6° | 120.0° |
| OAH | CAU | OAB | 124.9° | 120.0° |
| OAH | CAU | CAM | 119.2° | 120.0° |
| O | C | CA | 117.2° | 120.0° |
| C | O | H1 | 109.5° | 117.0° |
| C | CA | CB | 111.0° | 109.5° |
| C | CA | N | 112.6° | 109.5° |
| C | CA | H2 | 107.2° | 109.5° |
| OAB | CAU | CAM | 115.9° | 120.0° |
| CAU | OAB | H23 | 109.5° | 117.0° |
| CAU | CAM | CAP | 113.4° | 109.5° |
| CAU | CAM | H21 | 108.5° | 109.4° |
| CAU | CAM | H22 | 108.5° | 109.5° |
| OAF | CAY | CBB | 118.9° | 120.0° |
| CAY | OAF | H18 | 109.5° | 117.0° |
| CAY | CBB | CAP | 106.2° | 109.5° |
| CAY | CBB | NAS | 112.6° | 109.5° |
| CAY | CBB | H17 | 108.3° | 109.4° |
| CAM | CAP | CBB | 110.2° | 109.5° |
| CAM | CAP | H19 | 109.3° | 109.5° |
| CAM | CAP | H20 | 109.3° | 109.5° |
| CAP | CAM | H21 | 108.5° | 109.5° |
| CAP | CAM | H22 | 108.5° | 109.5° |
| CAP | CBB | NAS | 113.1° | 109.5° |
| CAP | CBB | H17 | 107.4° | 109.4° |
| CBB | CAP | H19 | 109.3° | 109.4° |
| CBB | CAP | H20 | 109.3° | 109.5° |
| CB | CA | N | 110.5° | 109.4° |
| CA | CB | CAN | 116.3° | 109.5° |
| CB | CA | H2 | 107.1° | 109.5° |
| CA | CB | H6 | 107.7° | 109.5° |
| CA | CB | H7 | 107.7° | 109.4° |
| N | CA | H2 | 108.3° | 109.4° |
| CA | N | H3 | 109.5° | 111.0° |
| CA | N | H4 | 109.5° | 110.9° |
| CBB | NAS | PBC | 117.2° | 111.0° |
| CBB | NAS | H16 | 107.5° | 111.0° |
| NAS | CBB | H17 | 108.8° | 109.5° |
| CB | CAN | CAV | 107.6° | 109.4° |
| CAN | CB | H6 | 107.7° | 109.5° |
| CAN | CB | H7 | 107.7° | 109.4° |
| CB | CAN | H8 | 109.9° | 109.5° |
| CB | CAN | H9 | 109.9° | 109.4° |
| OAG | PBC | NAS | 107.7° | 109.5° |
| OAG | PBC | OAT | 110.6° | 109.4° |
| OAG | PBC | OAL | 115.1° | 109.5° |
| NAS | PBC | OAT | 107.2° | 109.5° |
| NAS | PBC | OAL | 108.4° | 109.5° |
| PBC | NAS | H16 | 107.5° | 111.0° |
| CAN | CAV | OAC | 119.5° | 120.0° |
| CAN | CAV | NAR | 118.4° | 120.0° |
| CAV | CAN | H8 | 109.9° | 109.5° |
| CAV | CAN | H9 | 109.9° | 109.5° |
| CBA | CAQ | OAT | 108.4° | 109.5° |
| CAQ | CBA | NAR | 108.2° | 109.5° |
| CAQ | CBA | CAX | 108.3° | 109.5° |
| CAQ | CBA | H11 | 110.3° | 109.4° |
| CBA | CAQ | H13 | 109.8° | 109.5° |
| CBA | CAQ | H14 | 109.8° | 109.5° |
| CAQ | OAT | PBC | 118.7° | 123.0° |
| OAT | CAQ | H13 | 109.7° | 109.5° |
| OAT | CAQ | H14 | 109.7° | 109.5° |
| OAC | CAV | NAR | 122.0° | 120.0° |
| CAV | NAR | CBA | 123.2° | 120.0° |
| CAV | NAR | H10 | 118.4° | 120.1° |
| OAT | PBC | OAL | 107.6° | 109.5° |
| PBC | OAL | H15 | 109.5° | 114.0° |
| NAR | CBA | CAX | 110.0° | 109.5° |
| CBA | NAR | H10 | 118.4° | 120.0° |
| NAR | CBA | H11 | 110.3° | 109.5° |
| CBA | CAX | OAE | 116.9° | 120.0° |
| CBA | CAX | OAJ | 118.1° | 120.0° |
| CAX | CBA | H11 | 109.8° | 109.5° |
| OAE | CAX | OAJ | 124.9° | 120.0° |
| CAX | OAJ | H12 | 109.5° | 117.0° |
| H3 | N | H4 | 109.4° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H8 | CAN | H9 | 109.5° | 109.5° |
| H13 | CAQ | H14 | 109.4° | 109.4° |
| H19 | CAP | H20 | 109.5° | 109.5° |
| H21 | CAM | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 175.9° | 179.9° |
| OXT | C | CA | CB | 85.3° | 100.0° |
| OXT | C | CA | N | 150.2° | 20.0° |
| OXT | C | O | H1 | 0.0° | 0.0° |
| OXT | C | CA | H2 | 31.3° | 140.0° |
| OAK | CAY | OAF | CBB | 176.8° | 180.0° |
| OAK | CAY | CBB | CAP | 78.1° | 120.0° |
| OAK | CAY | CBB | NAS | 157.5° | 0.0° |
| OAK | CAY | CBB | H17 | 37.0° | 120.0° |
| OAK | CAY | OAF | H18 | 0.0° | 0.0° |
| OAH | CAU | OAB | CAM | 177.3° | 179.9° |
| OAH | CAU | CAM | CAP | 18.2° | 0.0° |
| OAH | CAU | CAM | H21 | 102.3° | 120.0° |
| OAH | CAU | CAM | H22 | 138.8° | 120.0° |
| OAH | CAU | OAB | H23 | 0.0° | 0.1° |
| O | C | CA | CB | 90.7° | 80.0° |
| O | C | CA | N | 33.7° | 160.0° |
| O | C | CA | H2 | 152.7° | 40.0° |
| C | CA | CB | N | 125.6° | 120.1° |
| C | CA | CB | H2 | 116.7° | 120.0° |
| C | CA | N | H2 | 118.3° | 120.0° |
| C | CA | CB | CAN | 178.1° | 174.9° |
| CA | C | O | H1 | 175.9° | 179.9° |
| C | CA | N | H3 | 180.0° | 63.9° |
| C | CA | N | H4 | 60.0° | 60.0° |
| C | CA | CB | H6 | 57.1° | 65.0° |
| C | CA | CB | H7 | 60.9° | 55.0° |
| OAB | CAU | CAM | CAP | 159.3° | 180.0° |
| OAB | CAU | CAM | H21 | 80.2° | 60.0° |
| OAB | CAU | CAM | H22 | 38.7° | 59.9° |
| CAU | CAM | CAP | H21 | 120.6° | 119.9° |
| CAU | CAM | CAP | H22 | 120.6° | 120.0° |
| CAU | CAM | CAP | CBB | 167.9° | 180.0° |
| CAU | CAM | CAP | H19 | 72.0° | 60.1° |
| CAU | CAM | CAP | H20 | 47.8° | 60.0° |
| CAU | CAM | H21 | H22 | 118.2° | 120.0° |
| CAM | CAU | OAB | H23 | 177.3° | 180.0° |
| OAF | CAY | CBB | CAP | 98.9° | 59.9° |
| OAF | CAY | CBB | NAS | 25.5° | 180.0° |
| OAF | CAY | CBB | H17 | 145.9° | 60.0° |
| CAY | CBB | CAP | CAM | 67.9° | 175.0° |
| CAY | CBB | CAP | NAS | 124.1° | 120.1° |
| CAY | CBB | CAP | H17 | 115.8° | 119.9° |
| CAY | CBB | NAS | H17 | 120.2° | 120.0° |
| CAY | CBB | NAS | PBC | 76.7° | 95.0° |
| CAY | CBB | NAS | H16 | 44.4° | 29.0° |
| CBB | CAY | OAF | H18 | 176.8° | 180.0° |
| CAY | CBB | CAP | H19 | 172.0° | 65.1° |
| CAY | CBB | CAP | H20 | 52.2° | 55.0° |
| CAM | CAP | CBB | H19 | 120.1° | 120.0° |
| CAM | CAP | CBB | H20 | 120.1° | 120.0° |
| CAM | CAP | CBB | NAS | 56.2° | 65.0° |
| CAM | CAP | CBB | H17 | 176.4° | 55.1° |
| CAM | CAP | H19 | H20 | 119.6° | 120.1° |
| CAP | CAM | H21 | H22 | 118.2° | 120.0° |
| CAP | CBB | NAS | H17 | 119.3° | 120.0° |
| CAP | CBB | NAS | PBC | 162.8° | 145.0° |
| CAP | CBB | NAS | H16 | 76.1° | 91.1° |
| CBB | CAP | H19 | H20 | 119.7° | 120.0° |
| CBB | CAP | CAM | H21 | 47.4° | 60.1° |
| CBB | CAP | CAM | H22 | 71.5° | 59.9° |
| CB | CA | N | H2 | 117.0° | 119.9° |
| CA | CB | CAN | H6 | 121.0° | 120.0° |
| CA | CB | CAN | H7 | 121.0° | 120.0° |
| CA | CB | CAN | CAV | 176.7° | 180.0° |
| CB | CA | N | H3 | 55.3° | 176.0° |
| CB | CA | N | H4 | 175.3° | 60.0° |
| CA | CB | H6 | H7 | 116.9° | 120.0° |
| CA | CB | CAN | H8 | 57.0° | 60.0° |
| CA | CB | CAN | H9 | 63.6° | 60.0° |
| N | CA | CB | CAN | 52.5° | 65.0° |
| CA | N | H3 | H4 | 120.0° | 123.9° |
| N | CA | CB | H6 | 68.5° | 55.1° |
| N | CA | CB | H7 | 173.5° | 175.0° |
| CBB | NAS | PBC | OAG | 19.3° | 180.0° |
| CBB | NAS | PBC | H16 | 121.1° | 123.9° |
| CBB | NAS | PBC | OAT | 138.3° | 60.0° |
| CBB | NAS | PBC | OAL | 105.8° | 60.0° |
| NAS | CBB | CAP | H19 | 63.9° | 55.0° |
| NAS | CBB | CAP | H20 | 176.3° | 175.0° |
| CB | CAN | CAV | H8 | 119.7° | 120.0° |
| CB | CAN | CAV | H9 | 119.7° | 119.9° |
| CB | CAN | CAV | OAC | 55.5° | 0.0° |
| CB | CAN | CAV | NAR | 121.5° | 180.0° |
| CAN | CB | CA | H2 | 65.2° | 55.0° |
| CAN | CB | H6 | H7 | 116.9° | 120.0° |
| CB | CAN | H8 | H9 | 120.9° | 119.9° |
| OAG | PBC | NAS | OAT | 119.1° | 120.0° |
| OAG | PBC | NAS | OAL | 125.1° | 120.0° |
| OAG | PBC | OAT | CAQ | 72.2° | 50.0° |
| OAG | PBC | OAT | OAL | 126.5° | 120.0° |
| OAG | PBC | OAL | H15 | 0.0° | 180.0° |
| OAG | PBC | NAS | H16 | 101.8° | 56.1° |
| NAS | PBC | OAT | CAQ | 44.9° | 70.0° |
| NAS | PBC | OAT | OAL | 116.4° | 120.0° |
| NAS | PBC | OAL | H15 | 120.6° | 60.0° |
| PBC | NAS | CBB | H17 | 43.4° | 25.0° |
| CAN | CAV | OAC | NAR | 176.9° | 180.0° |
| CAN | CAV | NAR | CBA | 174.9° | 180.0° |
| CAV | CAN | CB | H6 | 62.3° | 60.0° |
| CAV | CAN | CB | H7 | 55.8° | 60.0° |
| CAV | CAN | H8 | H9 | 120.8° | 120.1° |
| CAN | CAV | NAR | H10 | 5.1° | 0.0° |
| CBA | CAQ | OAT | H13 | 119.9° | 120.0° |
| CBA | CAQ | OAT | H14 | 119.8° | 120.0° |
| CAQ | CBA | NAR | CAV | 152.0° | 155.0° |
| CBA | CAQ | OAT | PBC | 159.9° | 180.0° |
| CAQ | CBA | NAR | CAX | 118.1° | 120.0° |
| CAQ | CBA | NAR | H11 | 120.7° | 119.9° |
| CAQ | CBA | CAX | H11 | 120.5° | 120.0° |
| CAQ | CBA | CAX | OAE | 67.0° | 120.0° |
| CAQ | CBA | CAX | OAJ | 109.0° | 60.0° |
| CAQ | CBA | NAR | H10 | 27.9° | 25.0° |
| CBA | CAQ | H13 | H14 | 120.5° | 120.0° |
| CAQ | OAT | PBC | OAL | 161.3° | 170.0° |
| OAT | CAQ | CBA | NAR | 72.0° | 65.0° |
| OAT | CAQ | CBA | CAX | 47.1° | 55.0° |
| OAT | CAQ | CBA | H11 | 167.3° | 175.0° |
| OAT | CAQ | H13 | H14 | 120.5° | 119.9° |
| OAC | CAV | NAR | CBA | 2.0° | 0.0° |
| OAC | CAV | CAN | H8 | 175.2° | 120.0° |
| OAC | CAV | CAN | H9 | 64.2° | 119.9° |
| OAC | CAV | NAR | H10 | 178.0° | 180.0° |
| CAV | NAR | CBA | H10 | 180.0° | 180.0° |
| CAV | NAR | CBA | CAX | 89.8° | 85.0° |
| NAR | CAV | CAN | H8 | 1.8° | 60.0° |
| NAR | CAV | CAN | H9 | 118.8° | 60.1° |
| CAV | NAR | CBA | H11 | 31.3° | 35.1° |
| PBC | OAT | CAQ | H13 | 80.2° | 59.9° |
| PBC | OAT | CAQ | H14 | 40.1° | 60.0° |
| OAT | PBC | OAL | H15 | 123.8° | 60.0° |
| OAT | PBC | NAS | H16 | 17.3° | 176.0° |
| OAL | PBC | NAS | H16 | 133.1° | 63.9° |
| NAR | CBA | CAX | H11 | 121.5° | 120.0° |
| NAR | CBA | CAX | OAE | 174.9° | 0.0° |
| NAR | CBA | CAX | OAJ | 9.0° | 180.0° |
| NAR | CBA | CAQ | H13 | 168.1° | 175.0° |
| NAR | CBA | CAQ | H14 | 47.8° | 55.0° |
| CBA | CAX | OAE | OAJ | 175.8° | 180.0° |
| CAX | CBA | NAR | H10 | 90.2° | 95.0° |
| CBA | CAX | OAJ | H12 | 175.7° | 180.0° |
| CAX | CBA | CAQ | H13 | 72.7° | 65.0° |
| CAX | CBA | CAQ | H14 | 166.9° | 175.0° |
| OAE | CAX | CBA | H11 | 53.5° | 120.0° |
| OAE | CAX | OAJ | H12 | 0.0° | 0.1° |
| OAJ | CAX | CBA | H11 | 130.5° | 59.9° |
| H2 | CA | N | H3 | 61.7° | 56.1° |
| H2 | CA | N | H4 | 58.3° | 180.0° |
| H2 | CA | CB | H6 | 173.8° | 175.0° |
| H2 | CA | CB | H7 | 55.8° | 65.0° |
| H6 | CB | CAN | H8 | 178.0° | 180.0° |
| H6 | CB | CAN | H9 | 57.4° | 60.0° |
| H7 | CB | CAN | H8 | 63.9° | 60.0° |
| H7 | CB | CAN | H9 | 175.5° | 180.0° |
| H10 | NAR | CBA | H11 | 148.6° | 144.9° |
| H11 | CBA | CAQ | H13 | 47.4° | 55.0° |
| H11 | CBA | CAQ | H14 | 72.9° | 65.0° |
| H16 | NAS | CBB | H17 | 164.5° | 148.9° |
| H17 | CBB | CAP | H19 | 56.2° | 175.0° |
| H17 | CBB | CAP | H20 | 63.5° | 65.0° |
| H19 | CAP | CAM | H21 | 167.5° | 180.0° |
| H19 | CAP | CAM | H22 | 48.6° | 60.0° |
| H20 | CAP | CAM | H21 | 72.8° | 59.9° |
| H20 | CAP | CAM | H22 | 168.4° | 179.9° |
