D6E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | doub | 1.21Å | 1.26Å | |
| OE1 | CD | doub | 1.21Å | 1.25Å | |
| O | C | sing | 1.34Å | 1.26Å | |
| C | CA | sing | 1.51Å | 1.57Å | |
| CD | OE2 | sing | 1.34Å | 1.25Å | |
| CD | CG | sing | 1.51Å | 1.52Å | |
| CG | CB | sing | 1.53Å | 1.56Å | |
| CB | CA | sing | 1.53Å | 1.56Å | |
| CA | N | sing | 1.46Å | 1.46Å | |
| OAF | CAR | doub | 1.22Å | 1.24Å | |
| N | CAR | sing | 1.35Å | 1.35Å | |
| CAB | CAS | sing | 1.53Å | 1.54Å | |
| CAR | NAN | sing | 1.35Å | 1.32Å | |
| CAL | CAS | sing | 1.53Å | 1.53Å | |
| CAL | CAU | sing | 1.53Å | 1.56Å | |
| CAS | CAA | sing | 1.53Å | 1.55Å | |
| NAN | CAU | sing | 1.46Å | 1.47Å | |
| CAU | CAQ | sing | 1.51Å | 1.51Å | |
| CAQ | OAI | doub | 1.21Å | 1.26Å | |
| CAQ | OAE | sing | 1.34Å | 1.25Å | |
| OE2 | H1 | sing | 0.97Å | 0.95Å | |
| CG | H2 | sing | 1.09Å | 1.10Å | |
| CG | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CA | H6 | sing | 1.09Å | 1.10Å | |
| O | H7 | sing | 0.97Å | 0.95Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| NAN | H9 | sing | 0.97Å | 1.00Å | |
| CAU | H10 | sing | 1.09Å | 1.10Å | |
| OAE | H11 | sing | 0.97Å | 0.95Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| CAS | H14 | sing | 1.09Å | 1.10Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å | |
| CAB | H16 | sing | 1.09Å | 1.10Å | |
| CAB | H17 | sing | 1.09Å | 1.10Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAA | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 123.0° | 119.9° |
| OXT | C | CA | 116.9° | 120.0° |
| OE1 | CD | OE2 | 123.9° | 120.0° |
| OE1 | CD | CG | 118.5° | 120.0° |
| O | C | CA | 120.1° | 120.0° |
| C | O | H7 | 109.5° | 117.1° |
| C | CA | CB | 108.8° | 109.4° |
| C | CA | N | 106.6° | 109.5° |
| C | CA | H6 | 109.4° | 109.4° |
| OE2 | CD | CG | 116.3° | 120.0° |
| CD | OE2 | H1 | 109.5° | 117.0° |
| CD | CG | CB | 113.9° | 109.5° |
| CD | CG | H2 | 108.3° | 109.5° |
| CD | CG | H3 | 108.3° | 109.4° |
| CG | CB | CA | 108.8° | 109.4° |
| CB | CG | H2 | 108.3° | 109.5° |
| CB | CG | H3 | 108.3° | 109.5° |
| CG | CB | H4 | 109.6° | 109.5° |
| CG | CB | H5 | 109.6° | 109.4° |
| CB | CA | N | 111.8° | 109.5° |
| CA | CB | H4 | 109.7° | 109.5° |
| CA | CB | H5 | 109.7° | 109.5° |
| CB | CA | H6 | 109.4° | 109.5° |
| CA | N | CAR | 121.4° | 120.0° |
| N | CA | H6 | 110.8° | 109.5° |
| CA | N | H8 | 119.3° | 120.0° |
| OAF | CAR | N | 119.7° | 120.0° |
| OAF | CAR | NAN | 124.0° | 120.0° |
| N | CAR | NAN | 115.9° | 120.0° |
| CAR | N | H8 | 119.3° | 120.0° |
| CAB | CAS | CAL | 109.6° | 109.5° |
| CAB | CAS | CAA | 108.4° | 109.5° |
| CAB | CAS | H14 | 110.1° | 109.5° |
| CAS | CAB | H15 | 109.5° | 109.5° |
| CAS | CAB | H16 | 109.4° | 109.5° |
| CAS | CAB | H17 | 109.5° | 109.5° |
| CAR | NAN | CAU | 122.8° | 120.0° |
| CAR | NAN | H9 | 118.6° | 120.0° |
| CAS | CAL | CAU | 113.2° | 109.5° |
| CAL | CAS | CAA | 108.6° | 109.4° |
| CAS | CAL | H12 | 108.5° | 109.4° |
| CAS | CAL | H13 | 108.5° | 109.4° |
| CAL | CAS | H14 | 110.2° | 109.5° |
| CAL | CAU | NAN | 104.6° | 109.5° |
| CAL | CAU | CAQ | 111.8° | 109.4° |
| CAL | CAU | H10 | 109.7° | 109.5° |
| CAU | CAL | H12 | 108.5° | 109.5° |
| CAU | CAL | H13 | 108.5° | 109.5° |
| CAA | CAS | H14 | 109.9° | 109.4° |
| CAS | CAA | H18 | 109.5° | 109.5° |
| CAS | CAA | H19 | 109.5° | 109.4° |
| CAS | CAA | H20 | 109.5° | 109.4° |
| NAN | CAU | CAQ | 109.4° | 109.5° |
| CAU | NAN | H9 | 118.6° | 120.0° |
| NAN | CAU | H10 | 110.9° | 109.5° |
| CAU | CAQ | OAI | 118.0° | 120.0° |
| CAU | CAQ | OAE | 114.3° | 120.0° |
| CAQ | CAU | H10 | 110.3° | 109.5° |
| OAI | CAQ | OAE | 127.6° | 120.0° |
| CAQ | OAE | H11 | 109.5° | 117.0° |
| H2 | CG | H3 | 109.5° | 109.5° |
| H4 | CB | H5 | 109.4° | 109.5° |
| H12 | CAL | H13 | 109.5° | 109.5° |
| H15 | CAB | H16 | 109.5° | 109.5° |
| H15 | CAB | H17 | 109.5° | 109.5° |
| H16 | CAB | H17 | 109.5° | 109.4° |
| H18 | CAA | H19 | 109.5° | 109.5° |
| H18 | CAA | H20 | 109.5° | 109.5° |
| H19 | CAA | H20 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 177.1° | 179.9° |
| OXT | C | CA | CB | 84.4° | 120.0° |
| OXT | C | CA | N | 154.9° | 0.0° |
| OXT | C | CA | H6 | 35.1° | 120.0° |
| OXT | C | O | H7 | 0.0° | 0.1° |
| OE1 | CD | OE2 | CG | 166.5° | 179.7° |
| OE1 | CD | CG | CB | 34.6° | 0.0° |
| OE1 | CD | OE2 | H1 | 0.0° | 0.1° |
| OE1 | CD | CG | H2 | 86.1° | 120.0° |
| OE1 | CD | CG | H3 | 155.2° | 120.0° |
| O | C | CA | CB | 98.4° | 60.0° |
| O | C | CA | N | 22.3° | 180.0° |
| O | C | CA | H6 | 142.2° | 60.0° |
| C | CA | CB | CG | 64.7° | 175.0° |
| C | CA | CB | N | 117.4° | 120.0° |
| C | CA | CB | H6 | 119.4° | 119.9° |
| C | CA | N | H6 | 118.9° | 120.0° |
| C | CA | N | CAR | 52.5° | 85.0° |
| C | CA | CB | H4 | 175.4° | 55.0° |
| C | CA | CB | H5 | 55.2° | 65.1° |
| CA | C | O | H7 | 177.0° | 180.0° |
| C | CA | N | H8 | 127.4° | 94.9° |
| OE2 | CD | CG | CB | 158.1° | 179.7° |
| OE2 | CD | CG | H2 | 81.2° | 60.3° |
| OE2 | CD | CG | H3 | 37.5° | 59.7° |
| CD | CG | CB | H2 | 120.7° | 120.0° |
| CD | CG | CB | H3 | 120.7° | 120.0° |
| CD | CG | CB | CA | 171.5° | 180.0° |
| CG | CD | OE2 | H1 | 166.5° | 179.8° |
| CD | CG | H2 | H3 | 118.0° | 120.0° |
| CD | CG | CB | H4 | 68.6° | 60.0° |
| CD | CG | CB | H5 | 51.6° | 60.1° |
| CG | CB | CA | H4 | 119.9° | 120.0° |
| CG | CB | CA | H5 | 119.9° | 119.9° |
| CG | CB | CA | N | 52.8° | 65.0° |
| CB | CG | H2 | H3 | 117.9° | 120.0° |
| CG | CB | H4 | H5 | 120.3° | 120.0° |
| CG | CB | CA | H6 | 175.9° | 55.1° |
| CB | CA | N | H6 | 122.4° | 120.1° |
| CB | CA | N | CAR | 171.3° | 155.1° |
| CA | CB | CG | H2 | 50.8° | 60.0° |
| CA | CB | CG | H3 | 67.9° | 60.1° |
| CA | CB | H4 | H5 | 120.3° | 120.1° |
| CB | CA | N | H8 | 8.7° | 25.0° |
| CA | N | CAR | OAF | 15.9° | 0.1° |
| CA | N | CAR | H8 | 180.0° | 179.9° |
| CA | N | CAR | NAN | 170.6° | 180.0° |
| N | CA | CB | H4 | 67.1° | 175.0° |
| N | CA | CB | H5 | 172.7° | 54.9° |
| OAF | CAR | N | NAN | 173.5° | 179.9° |
| OAF | CAR | NAN | CAU | 8.2° | 0.0° |
| OAF | CAR | N | H8 | 164.1° | 180.0° |
| OAF | CAR | NAN | H9 | 171.8° | 180.0° |
| N | CAR | NAN | CAU | 178.6° | 180.0° |
| CAR | N | CA | H6 | 66.4° | 35.0° |
| N | CAR | NAN | H9 | 1.4° | 0.0° |
| CAB | CAS | CAL | CAA | 118.2° | 120.0° |
| CAB | CAS | CAL | H14 | 121.3° | 120.0° |
| CAB | CAS | CAL | CAU | 175.6° | 174.1° |
| CAB | CAS | CAA | H14 | 120.4° | 120.0° |
| CAB | CAS | CAL | H12 | 55.1° | 54.1° |
| CAB | CAS | CAL | H13 | 63.8° | 65.8° |
| CAS | CAB | H15 | H16 | 120.0° | 120.0° |
| CAS | CAB | H15 | H17 | 120.0° | 120.0° |
| CAS | CAB | H16 | H17 | 120.0° | 120.0° |
| CAB | CAS | CAA | H18 | 180.0° | 180.0° |
| CAB | CAS | CAA | H19 | 60.0° | 60.0° |
| CAB | CAS | CAA | H20 | 60.0° | 60.0° |
| CAR | NAN | CAU | CAL | 85.5° | 155.0° |
| CAR | NAN | CAU | H9 | 180.0° | 180.0° |
| CAR | NAN | CAU | CAQ | 154.6° | 85.0° |
| NAN | CAR | N | H8 | 9.4° | 0.1° |
| CAR | NAN | CAU | H10 | 32.7° | 35.0° |
| CAS | CAL | CAU | H12 | 120.5° | 119.9° |
| CAS | CAL | CAU | H13 | 120.6° | 120.0° |
| CAL | CAS | CAA | H14 | 120.6° | 120.0° |
| CAS | CAL | CAU | NAN | 169.3° | 63.3° |
| CAS | CAL | CAU | CAQ | 51.1° | 176.7° |
| CAS | CAL | CAU | H10 | 71.7° | 56.7° |
| CAS | CAL | H12 | H13 | 118.3° | 119.9° |
| CAL | CAS | CAB | H15 | 180.0° | 62.8° |
| CAL | CAS | CAB | H16 | 60.0° | 57.2° |
| CAL | CAS | CAB | H17 | 60.0° | 177.2° |
| CAL | CAS | CAA | H18 | 61.0° | 60.0° |
| CAL | CAS | CAA | H19 | 59.0° | 180.0° |
| CAL | CAS | CAA | H20 | 179.0° | 60.0° |
| CAU | CAL | CAS | CAA | 66.1° | 65.9° |
| CAL | CAU | NAN | CAQ | 119.9° | 120.0° |
| CAL | CAU | NAN | H10 | 118.2° | 120.0° |
| CAL | CAU | CAQ | H10 | 122.4° | 120.0° |
| CAL | CAU | CAQ | OAI | 68.3° | 120.0° |
| CAL | CAU | CAQ | OAE | 114.8° | 59.9° |
| CAL | CAU | NAN | H9 | 94.5° | 25.0° |
| CAU | CAL | H12 | H13 | 118.3° | 120.1° |
| CAU | CAL | CAS | H14 | 54.4° | 54.1° |
| CAA | CAS | CAL | H12 | 173.3° | 174.2° |
| CAA | CAS | CAL | H13 | 54.4° | 54.2° |
| CAA | CAS | CAB | H15 | 61.6° | 177.2° |
| CAA | CAS | CAB | H16 | 58.4° | 62.8° |
| CAA | CAS | CAB | H17 | 178.4° | 57.2° |
| CAS | CAA | H18 | H19 | 120.0° | 120.0° |
| CAS | CAA | H18 | H20 | 120.0° | 120.0° |
| CAS | CAA | H19 | H20 | 120.0° | 120.0° |
| NAN | CAU | CAQ | H10 | 122.2° | 120.0° |
| NAN | CAU | CAQ | OAI | 47.1° | 0.0° |
| NAN | CAU | CAQ | OAE | 129.9° | 180.0° |
| NAN | CAU | CAL | H12 | 48.8° | 56.6° |
| NAN | CAU | CAL | H13 | 70.1° | 176.7° |
| CAU | CAQ | OAI | OAE | 176.5° | 180.0° |
| CAQ | CAU | NAN | H9 | 25.4° | 95.0° |
| CAU | CAQ | OAE | H11 | 176.6° | 180.0° |
| CAQ | CAU | CAL | H12 | 69.4° | 63.4° |
| CAQ | CAU | CAL | H13 | 171.7° | 56.7° |
| OAI | CAQ | CAU | H10 | 169.3° | 120.0° |
| OAI | CAQ | OAE | H11 | 0.0° | 0.1° |
| OAE | CAQ | CAU | H10 | 7.6° | 60.0° |
| H2 | CG | CB | H4 | 170.7° | 180.0° |
| H2 | CG | CB | H5 | 69.1° | 60.0° |
| H3 | CG | CB | H4 | 52.1° | 60.0° |
| H3 | CG | CB | H5 | 172.2° | 180.0° |
| H4 | CB | CA | H6 | 56.0° | 64.9° |
| H5 | CB | CA | H6 | 64.2° | 175.0° |
| H6 | CA | N | H8 | 113.6° | 145.1° |
| H9 | NAN | CAU | H10 | 147.3° | 145.0° |
| H10 | CAU | CAL | H12 | 167.8° | 176.6° |
| H10 | CAU | CAL | H13 | 48.9° | 63.3° |
| H12 | CAL | CAS | H14 | 66.2° | 65.9° |
| H13 | CAL | CAS | H14 | 174.9° | 174.1° |
| H14 | CAS | CAB | H15 | 58.7° | 57.3° |
| H14 | CAS | CAB | H16 | 178.7° | 177.3° |
| H14 | CAS | CAB | H17 | 61.3° | 62.8° |
| H14 | CAS | CAA | H18 | 59.7° | 60.0° |
| H14 | CAS | CAA | H19 | 179.6° | 60.0° |
| H14 | CAS | CAA | H20 | 60.4° | 180.0° |
| H15 | CAB | H16 | H17 | 120.0° | 120.0° |
| H18 | CAA | H19 | H20 | 120.0° | 120.1° |
