A1G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.44Å | |
| CO | CN | sing | 1.53Å | 1.54Å | |
| CO | CB | sing | 1.53Å | 1.54Å | |
| CN | CM | sing | 1.53Å | 1.56Å | |
| CN | CJ | sing | 1.53Å | 1.55Å | |
| CA | CB | sing | 1.53Å | 1.41Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CM | CL | sing | 1.53Å | 1.56Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | CH | sing | 1.53Å | 1.55Å | |
| CG | CL | sing | 1.53Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.13Å | |
| CJ | CI | sing | 1.53Å | 1.52Å | |
| CL | CK | sing | 1.53Å | 1.52Å | |
| CH | CI | sing | 1.53Å | 1.55Å | |
| CI | CK | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CG | H6 | sing | 1.09Å | 1.10Å | |
| CG | H7 | sing | 1.09Å | 1.10Å | |
| CH | H8 | sing | 1.09Å | 1.10Å | |
| CH | H9 | sing | 1.09Å | 1.10Å | |
| CI | H10 | sing | 1.09Å | 1.10Å | |
| CJ | H11 | sing | 1.09Å | 1.10Å | |
| CJ | H12 | sing | 1.09Å | 1.10Å | |
| CK | H13 | sing | 1.09Å | 1.10Å | |
| CK | H14 | sing | 1.09Å | 1.10Å | |
| CL | H15 | sing | 1.09Å | 1.10Å | |
| CM | H16 | sing | 1.09Å | 1.10Å | |
| CM | H17 | sing | 1.09Å | 1.10Å | |
| CN | H18 | sing | 1.09Å | 1.10Å | |
| CO | H19 | sing | 1.09Å | 1.10Å | |
| CO | H20 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 39.41Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | CB | 115.5° | 109.5° |
| N | CA | C | 106.7° | 109.4° |
| N | CA | HA | 103.2° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CN | CO | CB | 108.2° | 109.5° |
| CO | CN | CM | 107.1° | 109.4° |
| CO | CN | CJ | 112.3° | 109.5° |
| CO | CN | H18 | 109.5° | 109.5° |
| CN | CO | H19 | 109.8° | 109.5° |
| CN | CO | H20 | 109.8° | 109.5° |
| CO | CB | CA | 113.0° | 109.5° |
| CO | CB | CG | 113.0° | 109.5° |
| CO | CB | CH | 106.2° | 109.5° |
| CB | CO | H19 | 109.8° | 109.5° |
| CB | CO | H20 | 109.8° | 109.5° |
| CM | CN | CJ | 109.3° | 109.5° |
| CN | CM | CL | 108.4° | 109.5° |
| CN | CM | H16 | 109.8° | 109.5° |
| CN | CM | H17 | 109.7° | 109.5° |
| CM | CN | H18 | 109.3° | 109.5° |
| CN | CJ | CI | 110.1° | 109.5° |
| CN | CJ | H11 | 109.3° | 109.4° |
| CN | CJ | H12 | 109.3° | 109.5° |
| CJ | CN | H18 | 109.4° | 109.5° |
| CB | CA | C | 122.9° | 109.5° |
| CA | CB | CG | 102.7° | 109.5° |
| CA | CB | CH | 113.6° | 109.4° |
| CB | CA | HA | 103.5° | 109.5° |
| CA | C | O | 117.2° | 120.0° |
| C | CA | HA | 102.3° | 109.5° |
| CA | C | OXT | 120.9° | 120.0° |
| CM | CL | CG | 107.6° | 109.5° |
| CM | CL | CK | 112.4° | 109.5° |
| CM | CL | H15 | 108.7° | 109.5° |
| CL | CM | H16 | 109.7° | 109.4° |
| CL | CM | H17 | 109.7° | 109.4° |
| CG | CB | CH | 108.5° | 109.5° |
| CB | CG | CL | 109.8° | 109.5° |
| CB | CG | H6 | 109.4° | 109.4° |
| CB | CG | H7 | 109.4° | 109.5° |
| CB | CH | CI | 110.8° | 109.5° |
| CB | CH | H8 | 109.1° | 109.5° |
| CB | CH | H9 | 109.1° | 109.5° |
| CG | CL | CK | 109.4° | 109.5° |
| CL | CG | H6 | 109.4° | 109.5° |
| CL | CG | H7 | 109.4° | 109.5° |
| CG | CL | H15 | 109.4° | 109.5° |
| O | C | OXT | 121.9° | 120.0° |
| CJ | CI | CH | 108.0° | 109.5° |
| CJ | CI | CK | 108.1° | 109.4° |
| CJ | CI | H10 | 110.1° | 109.5° |
| CI | CJ | H11 | 109.3° | 109.5° |
| CI | CJ | H12 | 109.3° | 109.5° |
| CL | CK | CI | 110.1° | 109.5° |
| CL | CK | H13 | 109.3° | 109.5° |
| CL | CK | H14 | 109.3° | 109.5° |
| CK | CL | H15 | 109.3° | 109.4° |
| CH | CI | CK | 110.6° | 109.5° |
| CI | CH | H8 | 109.2° | 109.5° |
| CI | CH | H9 | 109.1° | 109.4° |
| CH | CI | H10 | 109.8° | 109.5° |
| CK | CI | H10 | 110.2° | 109.5° |
| CI | CK | H13 | 109.3° | 109.4° |
| CI | CK | H14 | 109.3° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| H6 | CG | H7 | 109.5° | 109.5° |
| H8 | CH | H9 | 109.5° | 109.5° |
| H11 | CJ | H12 | 109.5° | 109.5° |
| H13 | CK | H14 | 109.5° | 109.4° |
| H16 | CM | H17 | 109.5° | 109.5° |
| H19 | CO | H20 | 109.5° | 109.4° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | CO | 63.3° | 180.0° |
| N | CA | CB | C | 133.4° | 120.0° |
| N | CA | CB | HA | 112.0° | 119.9° |
| N | CA | C | HA | 108.0° | 119.9° |
| N | CA | CB | CG | 58.7° | 60.0° |
| N | CA | CB | CH | 175.7° | 60.0° |
| N | CA | C | O | 138.1° | 20.1° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | OXT | 43.8° | 160.3° |
| CN | CO | CB | H19 | 119.8° | 120.0° |
| CN | CO | CB | H20 | 119.8° | 120.0° |
| CO | CN | CM | CJ | 121.8° | 120.0° |
| CO | CN | CM | H18 | 118.5° | 120.0° |
| CO | CN | CJ | H18 | 121.7° | 120.0° |
| CN | CO | CB | CA | 173.2° | 180.0° |
| CO | CN | CM | CL | 66.1° | 60.0° |
| CN | CO | CB | CG | 57.2° | 60.0° |
| CN | CO | CB | CH | 61.6° | 60.0° |
| CO | CN | CJ | CI | 56.8° | 60.0° |
| CO | CN | CJ | H11 | 63.3° | 180.0° |
| CO | CN | CJ | H12 | 176.8° | 60.0° |
| CO | CN | CM | H16 | 174.1° | 60.0° |
| CO | CN | CM | H17 | 53.7° | 180.0° |
| CN | CO | H19 | H20 | 120.6° | 120.0° |
| CB | CO | CN | CM | 60.6° | 60.0° |
| CB | CO | CN | CJ | 59.4° | 60.0° |
| CO | CB | CA | CG | 122.0° | 120.0° |
| CO | CB | CA | CH | 121.0° | 120.0° |
| CO | CB | CA | C | 163.3° | 60.0° |
| CO | CB | CG | CH | 117.5° | 120.0° |
| CO | CB | CG | CL | 57.0° | 60.0° |
| CO | CB | CH | CI | 65.4° | 60.0° |
| CO | CB | CA | HA | 48.7° | 60.0° |
| CO | CB | CG | H6 | 63.0° | 60.0° |
| CO | CB | CG | H7 | 177.0° | 180.0° |
| CO | CB | CH | H8 | 174.3° | 180.0° |
| CO | CB | CH | H9 | 54.8° | 60.0° |
| CB | CO | CN | H18 | 178.9° | 180.0° |
| CB | CO | H19 | H20 | 120.6° | 120.0° |
| CM | CN | CJ | H18 | 119.6° | 120.0° |
| CN | CM | CL | H16 | 119.8° | 120.0° |
| CN | CM | CL | H17 | 119.8° | 120.0° |
| CN | CM | CL | CG | 65.4° | 60.0° |
| CM | CN | CJ | CI | 61.9° | 60.0° |
| CN | CM | CL | CK | 55.1° | 60.0° |
| CM | CN | CJ | H11 | 178.1° | 60.0° |
| CM | CN | CJ | H12 | 58.2° | 180.0° |
| CN | CM | CL | H15 | 176.2° | 180.0° |
| CN | CM | H16 | H17 | 120.5° | 120.1° |
| CM | CN | CO | H19 | 59.2° | 180.0° |
| CM | CN | CO | H20 | 179.7° | 60.0° |
| CJ | CN | CM | CL | 55.7° | 60.0° |
| CN | CJ | CI | H11 | 120.1° | 119.9° |
| CN | CJ | CI | H12 | 120.1° | 120.0° |
| CN | CJ | CI | CH | 56.2° | 60.0° |
| CN | CJ | CI | CK | 63.4° | 60.0° |
| CN | CJ | CI | H10 | 176.1° | 180.0° |
| CN | CJ | H11 | H12 | 119.7° | 120.0° |
| CJ | CN | CM | H16 | 64.1° | 180.0° |
| CJ | CN | CM | H17 | 175.5° | 60.0° |
| CJ | CN | CO | H19 | 179.2° | 60.0° |
| CJ | CN | CO | H20 | 60.4° | 180.0° |
| CB | CA | C | HA | 115.2° | 120.1° |
| CA | CB | CG | CH | 120.6° | 120.0° |
| CA | CB | CG | CL | 179.0° | 180.0° |
| CB | CA | C | O | 85.1° | 99.9° |
| CA | CB | CH | CI | 169.8° | 180.0° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 63.9° |
| CA | CB | CG | H6 | 59.0° | 60.0° |
| CA | CB | CG | H7 | 61.0° | 60.0° |
| CA | CB | CH | H8 | 49.6° | 60.0° |
| CA | CB | CH | H9 | 70.0° | 60.0° |
| CA | CB | CO | H19 | 53.4° | 60.0° |
| CA | CB | CO | H20 | 67.0° | 60.0° |
| CB | CA | C | OXT | 93.0° | 79.7° |
| C | CA | CB | CG | 74.7° | 180.0° |
| C | CA | CB | CH | 42.2° | 60.0° |
| CA | C | O | OXT | 178.1° | 179.6° |
| C | CA | N | H | 39.5° | 60.0° |
| C | CA | N | H2 | 80.5° | 176.0° |
| CA | C | OXT | HXT | 90.0° | 179.7° |
| CM | CL | CG | CB | 59.1° | 60.0° |
| CM | CL | CG | CK | 122.4° | 120.0° |
| CM | CL | CG | H15 | 118.0° | 120.1° |
| CM | CL | CK | H15 | 120.8° | 120.0° |
| CM | CL | CK | CI | 58.3° | 60.0° |
| CM | CL | CG | H6 | 60.9° | 60.0° |
| CM | CL | CG | H7 | 179.2° | 180.0° |
| CM | CL | CK | H13 | 61.8° | 180.0° |
| CM | CL | CK | H14 | 178.4° | 60.0° |
| CL | CM | H16 | H17 | 120.5° | 119.9° |
| CL | CM | CN | H18 | 175.4° | 180.0° |
| CB | CG | CL | H6 | 120.0° | 120.0° |
| CB | CG | CL | H7 | 120.1° | 120.0° |
| CB | CG | CL | CK | 63.2° | 60.0° |
| CG | CB | CH | CI | 56.3° | 60.0° |
| CG | CB | CA | HA | 170.7° | 60.0° |
| CB | CG | H6 | H7 | 119.9° | 120.0° |
| CG | CB | CH | H8 | 63.9° | 60.0° |
| CG | CB | CH | H9 | 176.5° | 180.0° |
| CB | CG | CL | H15 | 177.1° | 180.0° |
| CG | CB | CO | H19 | 62.6° | 180.0° |
| CG | CB | CO | H20 | 177.0° | 60.0° |
| CH | CB | CG | CL | 60.5° | 60.0° |
| CB | CH | CI | CJ | 62.8° | 60.0° |
| CB | CH | CI | H8 | 120.2° | 120.0° |
| CB | CH | CI | H9 | 120.2° | 120.0° |
| CB | CH | CI | CK | 55.3° | 60.0° |
| CH | CB | CA | HA | 72.4° | 180.0° |
| CH | CB | CG | H6 | 179.5° | 180.0° |
| CH | CB | CG | H7 | 59.6° | 60.0° |
| CB | CH | H8 | H9 | 119.4° | 120.1° |
| CB | CH | CI | H10 | 177.1° | 180.0° |
| CH | CB | CO | H19 | 178.6° | 60.0° |
| CH | CB | CO | H20 | 58.2° | 180.0° |
| CG | CL | CK | H15 | 119.7° | 120.0° |
| CG | CL | CK | CI | 61.2° | 60.0° |
| CL | CG | H6 | H7 | 119.8° | 120.0° |
| CG | CL | CK | H13 | 178.7° | 59.9° |
| CG | CL | CK | H14 | 58.9° | 179.9° |
| CG | CL | CM | H16 | 174.8° | 60.0° |
| CG | CL | CM | H17 | 54.5° | 180.0° |
| O | C | CA | HA | 30.1° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| CJ | CI | CK | CL | 61.0° | 60.0° |
| CJ | CI | CH | CK | 118.1° | 120.0° |
| CJ | CI | CH | H10 | 120.1° | 120.0° |
| CJ | CI | CK | H10 | 120.4° | 120.0° |
| CJ | CI | CH | H8 | 176.9° | 180.0° |
| CJ | CI | CH | H9 | 57.3° | 60.0° |
| CI | CJ | H11 | H12 | 119.7° | 120.0° |
| CJ | CI | CK | H13 | 59.2° | 180.0° |
| CJ | CI | CK | H14 | 178.9° | 60.1° |
| CI | CJ | CN | H18 | 178.5° | 180.0° |
| CL | CK | CI | CH | 57.1° | 60.0° |
| CL | CK | CI | H13 | 120.1° | 120.0° |
| CL | CK | CI | H14 | 120.1° | 120.1° |
| CK | CL | CG | H6 | 176.7° | 180.0° |
| CK | CL | CG | H7 | 56.8° | 60.0° |
| CL | CK | CI | H10 | 178.6° | 180.0° |
| CL | CK | H13 | H14 | 119.7° | 120.0° |
| CK | CL | CM | H16 | 64.7° | 180.0° |
| CK | CL | CM | H17 | 175.0° | 60.0° |
| CH | CI | CK | H10 | 121.5° | 120.0° |
| CI | CH | H8 | H9 | 119.4° | 119.9° |
| CH | CI | CJ | H11 | 63.8° | 179.9° |
| CH | CI | CJ | H12 | 176.3° | 60.0° |
| CH | CI | CK | H13 | 177.2° | 60.0° |
| CH | CI | CK | H14 | 63.0° | 180.0° |
| CK | CI | CH | H8 | 64.9° | 60.1° |
| CK | CI | CH | H9 | 175.5° | 180.0° |
| CK | CI | CJ | H11 | 176.5° | 60.0° |
| CK | CI | CJ | H12 | 56.6° | 180.0° |
| CI | CK | H13 | H14 | 119.7° | 120.0° |
| CI | CK | CL | H15 | 179.1° | 179.9° |
| HA | CA | N | H | 67.8° | 180.0° |
| HA | CA | N | H2 | 172.2° | 56.1° |
| HA | CA | C | OXT | 151.8° | 40.4° |
| H6 | CG | CL | H15 | 57.1° | 60.1° |
| H7 | CG | CL | H15 | 62.8° | 59.9° |
| H8 | CH | CI | H10 | 56.8° | 59.9° |
| H9 | CH | CI | H10 | 62.8° | 60.0° |
| H10 | CI | CJ | H11 | 56.0° | 60.0° |
| H10 | CI | CJ | H12 | 63.8° | 60.0° |
| H10 | CI | CK | H13 | 61.3° | 60.0° |
| H10 | CI | CK | H14 | 58.5° | 59.9° |
| H11 | CJ | CN | H18 | 58.4° | 60.0° |
| H12 | CJ | CN | H18 | 61.4° | 60.0° |
| H13 | CK | CL | H15 | 59.0° | 60.0° |
| H14 | CK | CL | H15 | 60.8° | 60.0° |
| H15 | CL | CM | H16 | 56.4° | 60.0° |
| H15 | CL | CM | H17 | 63.9° | 60.0° |
| H16 | CM | CN | H18 | 55.6° | 60.0° |
| H17 | CM | CN | H18 | 64.7° | 60.1° |
| H18 | CN | CO | H19 | 59.1° | 60.0° |
| H18 | CN | CO | H20 | 61.3° | 60.0° |
