2GR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.27Å | |
| OE2 | CD | doub | 1.21Å | 1.27Å | |
| CD | OE1 | sing | 1.34Å | 1.25Å | |
| CD | CG | sing | 1.51Å | 1.56Å | |
| C | OXT | sing | 1.34Å | 1.27Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.57Å | |
| CA | N | sing | 1.47Å | 1.50Å | |
| OAD | PAY | doub | 1.48Å | 1.53Å | |
| N | PAY | sing | 1.68Å | 1.67Å | |
| CAN | CAM | sing | 1.53Å | 1.55Å | |
| CAN | OAS | sing | 1.43Å | 1.45Å | |
| PAY | OAS | sing | 1.61Å | 1.57Å | |
| PAY | OAG | sing | 1.61Å | 1.50Å | |
| CAM | NAQ | sing | 1.46Å | 1.51Å | |
| NAQ | CAV | sing | 1.35Å | 1.35Å | |
| CAH | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | CAW | doub | 1.40Å | 1.41Å | Aromatic |
| CAK | CAW | sing | 1.40Å | 1.40Å | Aromatic |
| CAW | CAV | sing | 1.48Å | 1.57Å | |
| CAV | OAC | doub | 1.22Å | 1.25Å | |
| CAK | H1 | sing | 1.08Å | 1.08Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAL | H5 | sing | 1.08Å | 1.08Å | |
| NAQ | H6 | sing | 0.97Å | 1.00Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| OAG | H11 | sing | 0.97Å | 0.95Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| CA | H13 | sing | 1.09Å | 1.10Å | |
| OXT | 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 | |
| OE1 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 125.8° | 120.0° |
| O | C | CA | 114.3° | 120.0° |
| OE2 | CD | OE1 | 123.8° | 120.0° |
| OE2 | CD | CG | 120.1° | 120.0° |
| OE1 | CD | CG | 115.9° | 120.0° |
| CD | OE1 | H19 | 109.5° | 117.0° |
| CD | CG | CB | 114.9° | 109.5° |
| CD | CG | H17 | 108.1° | 109.4° |
| CD | CG | H18 | 108.1° | 109.5° |
| OXT | C | CA | 119.9° | 119.9° |
| C | OXT | H14 | 109.5° | 117.0° |
| C | CA | CB | 108.1° | 109.5° |
| C | CA | N | 114.7° | 109.5° |
| C | CA | H13 | 108.3° | 109.5° |
| CG | CB | CA | 111.0° | 109.5° |
| CG | CB | H15 | 109.1° | 109.5° |
| CG | CB | H16 | 109.1° | 109.5° |
| CB | CG | H17 | 108.1° | 109.5° |
| CB | CG | H18 | 108.1° | 109.5° |
| CB | CA | N | 108.7° | 109.4° |
| CB | CA | H13 | 108.0° | 109.5° |
| CA | CB | H15 | 109.1° | 109.5° |
| CA | CB | H16 | 109.1° | 109.5° |
| CA | N | PAY | 113.0° | 111.0° |
| CA | N | H12 | 108.6° | 111.0° |
| N | CA | H13 | 108.9° | 109.4° |
| OAD | PAY | N | 110.6° | 109.5° |
| OAD | PAY | OAS | 108.4° | 109.4° |
| OAD | PAY | OAG | 111.2° | 109.5° |
| N | PAY | OAS | 107.6° | 109.5° |
| N | PAY | OAG | 110.0° | 109.5° |
| PAY | N | H12 | 108.6° | 111.0° |
| CAM | CAN | OAS | 108.2° | 109.5° |
| CAN | CAM | NAQ | 113.7° | 109.5° |
| CAN | CAM | H7 | 108.4° | 109.5° |
| CAN | CAM | H8 | 108.4° | 109.4° |
| CAM | CAN | H9 | 109.8° | 109.5° |
| CAM | CAN | H10 | 109.8° | 109.5° |
| CAN | OAS | PAY | 121.6° | 123.0° |
| OAS | CAN | H9 | 109.8° | 109.5° |
| OAS | CAN | H10 | 109.7° | 109.5° |
| OAS | PAY | OAG | 109.0° | 109.5° |
| PAY | OAG | H11 | 109.5° | 114.0° |
| CAM | NAQ | CAV | 121.4° | 120.0° |
| CAM | NAQ | H6 | 119.3° | 119.9° |
| NAQ | CAM | H7 | 108.4° | 109.5° |
| NAQ | CAM | H8 | 108.4° | 109.5° |
| NAQ | CAV | CAW | 114.8° | 120.0° |
| NAQ | CAV | OAC | 123.2° | 120.1° |
| CAV | NAQ | H6 | 119.3° | 120.1° |
| CAJ | CAH | CAI | 119.7° | 120.3° |
| CAH | CAJ | CAL | 119.2° | 120.2° |
| CAJ | CAH | H3 | 120.1° | 119.9° |
| CAH | CAJ | H4 | 120.4° | 119.9° |
| CAH | CAI | CAK | 120.5° | 120.2° |
| CAH | CAI | H2 | 119.7° | 119.9° |
| CAI | CAH | H3 | 120.1° | 119.8° |
| CAJ | CAL | CAW | 121.8° | 119.8° |
| CAL | CAJ | H4 | 120.4° | 119.9° |
| CAJ | CAL | H5 | 119.1° | 120.1° |
| CAI | CAK | CAW | 120.6° | 119.8° |
| CAI | CAK | H1 | 119.7° | 120.2° |
| CAK | CAI | H2 | 119.8° | 119.9° |
| CAL | CAW | CAK | 118.2° | 119.7° |
| CAL | CAW | CAV | 121.6° | 120.2° |
| CAW | CAL | H5 | 119.1° | 120.1° |
| CAK | CAW | CAV | 120.2° | 120.1° |
| CAW | CAK | H1 | 119.7° | 120.0° |
| CAW | CAV | OAC | 121.9° | 120.0° |
| H7 | CAM | H8 | 109.5° | 109.4° |
| H9 | CAN | H10 | 109.5° | 109.5° |
| H15 | CB | H16 | 109.5° | 109.4° |
| H17 | CG | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 179.5° | 180.0° |
| O | C | CA | CB | 80.9° | 120.0° |
| O | C | CA | N | 157.7° | 0.0° |
| O | C | CA | H13 | 35.9° | 120.0° |
| O | C | OXT | H14 | 0.0° | 0.0° |
| OE2 | CD | OE1 | CG | 174.5° | 180.0° |
| OE2 | CD | CG | CB | 20.9° | 0.0° |
| OE2 | CD | CG | H17 | 99.9° | 120.1° |
| OE2 | CD | CG | H18 | 141.7° | 120.0° |
| OE2 | CD | OE1 | H19 | 0.0° | 0.0° |
| OE1 | CD | CG | CB | 164.4° | 180.0° |
| OE1 | CD | CG | H17 | 74.8° | 60.0° |
| OE1 | CD | CG | H18 | 43.6° | 60.0° |
| CD | CG | CB | H17 | 120.8° | 120.0° |
| CD | CG | CB | H18 | 120.8° | 120.0° |
| CD | CG | CB | CA | 166.9° | 180.0° |
| CD | CG | CB | H15 | 72.9° | 60.0° |
| CD | CG | CB | H16 | 46.7° | 60.0° |
| CD | CG | H17 | H18 | 117.6° | 120.0° |
| CG | CD | OE1 | H19 | 174.5° | 180.0° |
| OXT | C | CA | CB | 99.6° | 60.0° |
| OXT | C | CA | N | 21.8° | 180.0° |
| OXT | C | CA | H13 | 143.7° | 60.0° |
| C | CA | CB | CG | 66.5° | 175.0° |
| C | CA | CB | N | 125.1° | 120.0° |
| C | CA | CB | H13 | 117.0° | 120.0° |
| C | CA | N | H13 | 121.5° | 120.0° |
| C | CA | N | PAY | 74.4° | 95.0° |
| C | CA | N | H12 | 46.2° | 28.9° |
| CA | C | OXT | H14 | 179.5° | 180.0° |
| C | CA | CB | H15 | 173.3° | 65.0° |
| C | CA | CB | H16 | 53.7° | 55.0° |
| CG | CB | CA | H15 | 120.2° | 120.0° |
| CG | CB | CA | H16 | 120.2° | 120.0° |
| CG | CB | CA | N | 58.6° | 65.0° |
| CG | CB | CA | H13 | 176.5° | 55.0° |
| CG | CB | H15 | H16 | 119.3° | 120.0° |
| CB | CG | H17 | H18 | 117.5° | 120.0° |
| CB | CA | N | H13 | 117.4° | 119.9° |
| CB | CA | N | PAY | 164.5° | 145.0° |
| CB | CA | N | H12 | 74.9° | 91.1° |
| CA | CB | H15 | H16 | 119.3° | 120.0° |
| CA | CB | CG | H17 | 46.1° | 60.0° |
| CA | CB | CG | H18 | 72.3° | 60.0° |
| CA | N | PAY | OAD | 19.8° | 180.0° |
| CA | N | PAY | H12 | 120.5° | 123.9° |
| CA | N | PAY | OAS | 137.9° | 60.0° |
| CA | N | PAY | OAG | 103.4° | 60.0° |
| N | CA | CB | H15 | 61.6° | 55.1° |
| N | CA | CB | H16 | 178.9° | 175.0° |
| OAD | PAY | N | OAS | 118.1° | 120.0° |
| OAD | PAY | N | OAG | 123.2° | 120.0° |
| OAD | PAY | OAS | CAN | 55.1° | 50.0° |
| OAD | PAY | OAS | OAG | 121.2° | 120.0° |
| OAD | PAY | OAG | H11 | 0.0° | 180.0° |
| OAD | PAY | N | H12 | 100.7° | 56.1° |
| N | PAY | OAS | CAN | 64.4° | 70.0° |
| N | PAY | OAS | OAG | 119.3° | 120.0° |
| N | PAY | OAG | H11 | 122.8° | 60.0° |
| PAY | N | CA | H13 | 47.2° | 25.0° |
| CAM | CAN | OAS | H9 | 119.8° | 120.0° |
| CAM | CAN | OAS | H10 | 119.8° | 120.0° |
| CAM | CAN | OAS | PAY | 139.5° | 180.0° |
| CAN | CAM | NAQ | H7 | 120.6° | 120.0° |
| CAN | CAM | NAQ | H8 | 120.6° | 120.0° |
| CAN | CAM | NAQ | CAV | 73.1° | 180.0° |
| CAN | CAM | NAQ | H6 | 107.0° | 0.1° |
| CAN | CAM | H7 | H8 | 118.0° | 119.9° |
| CAM | CAN | H9 | H10 | 120.6° | 120.0° |
| CAN | OAS | PAY | OAG | 176.3° | 170.0° |
| OAS | CAN | CAM | NAQ | 138.7° | 65.0° |
| OAS | CAN | CAM | H7 | 18.1° | 55.0° |
| OAS | CAN | CAM | H8 | 100.7° | 175.0° |
| OAS | CAN | H9 | H10 | 120.5° | 120.0° |
| PAY | OAS | CAN | H9 | 100.7° | 60.0° |
| PAY | OAS | CAN | H10 | 19.7° | 60.0° |
| OAS | PAY | OAG | H11 | 119.4° | 60.0° |
| OAS | PAY | N | H12 | 17.4° | 176.1° |
| OAG | PAY | N | H12 | 136.1° | 63.9° |
| CAM | NAQ | CAV | H6 | 180.0° | 179.9° |
| CAM | NAQ | CAV | CAW | 177.3° | 180.0° |
| CAM | NAQ | CAV | OAC | 3.4° | 0.0° |
| NAQ | CAM | H7 | H8 | 118.1° | 120.0° |
| NAQ | CAM | CAN | H9 | 18.9° | 175.0° |
| NAQ | CAM | CAN | H10 | 101.5° | 55.0° |
| NAQ | CAV | CAW | CAL | 133.4° | 0.3° |
| NAQ | CAV | CAW | CAK | 47.0° | 180.0° |
| NAQ | CAV | CAW | OAC | 179.3° | 179.9° |
| CAV | NAQ | CAM | H7 | 47.6° | 60.0° |
| CAV | NAQ | CAM | H8 | 166.4° | 60.0° |
| CAJ | CAH | CAI | H3 | 180.0° | 179.8° |
| CAH | CAJ | CAL | H4 | 180.0° | 180.0° |
| CAJ | CAH | CAI | CAK | 0.2° | 0.0° |
| CAH | CAJ | CAL | CAW | 0.5° | 0.0° |
| CAJ | CAH | CAI | H2 | 179.8° | 180.0° |
| CAH | CAJ | CAL | H5 | 179.5° | 179.9° |
| CAI | CAH | CAJ | CAL | 0.4° | 0.1° |
| CAH | CAI | CAK | H2 | 180.0° | 180.0° |
| CAH | CAI | CAK | CAW | 0.7° | 0.0° |
| CAH | CAI | CAK | H1 | 179.3° | 179.7° |
| CAI | CAH | CAJ | H4 | 179.6° | 180.0° |
| CAJ | CAL | CAW | H5 | 180.0° | 180.0° |
| CAJ | CAL | CAW | CAK | 0.0° | 0.0° |
| CAJ | CAL | CAW | CAV | 179.5° | 179.7° |
| CAL | CAJ | CAH | H3 | 179.7° | 179.9° |
| CAI | CAK | CAW | CAL | 0.5° | 0.0° |
| CAI | CAK | CAW | H1 | 180.0° | 179.7° |
| CAI | CAK | CAW | CAV | 179.9° | 179.7° |
| CAK | CAI | CAH | H3 | 179.8° | 179.9° |
| CAL | CAW | CAK | CAV | 179.6° | 179.8° |
| CAL | CAW | CAV | OAC | 45.9° | 179.8° |
| CAL | CAW | CAK | H1 | 179.5° | 179.7° |
| CAW | CAL | CAJ | H4 | 179.5° | 180.0° |
| CAK | CAW | CAV | OAC | 133.6° | 0.0° |
| CAW | CAK | CAI | H2 | 179.3° | 180.0° |
| CAK | CAW | CAL | H5 | 180.0° | 180.0° |
| CAV | CAW | CAK | H1 | 0.1° | 0.0° |
| CAV | CAW | CAL | H5 | 0.4° | 0.2° |
| CAW | CAV | NAQ | H6 | 2.7° | 0.1° |
| OAC | CAV | NAQ | H6 | 176.6° | 180.0° |
| H1 | CAK | CAI | H2 | 0.7° | 0.3° |
| H2 | CAI | CAH | H3 | 0.2° | 0.1° |
| H3 | CAH | CAJ | H4 | 0.4° | 0.1° |
| H4 | CAJ | CAL | H5 | 0.5° | 0.0° |
| H6 | NAQ | CAM | H7 | 132.4° | 120.0° |
| H6 | NAQ | CAM | H8 | 13.6° | 120.1° |
| H7 | CAM | CAN | H9 | 101.7° | 65.0° |
| H7 | CAM | CAN | H10 | 137.9° | 175.0° |
| H8 | CAM | CAN | H9 | 139.5° | 55.0° |
| H8 | CAM | CAN | H10 | 19.1° | 65.1° |
| H12 | N | CA | H13 | 167.7° | 148.9° |
| H13 | CA | CB | H15 | 56.3° | 175.0° |
| H13 | CA | CB | H16 | 63.2° | 65.1° |
| H15 | CB | CG | H17 | 166.3° | 180.0° |
| H15 | CB | CG | H18 | 47.9° | 60.1° |
| H16 | CB | CG | H17 | 74.1° | 60.0° |
| H16 | CB | CG | H18 | 167.5° | 180.0° |
