B2E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAN | CAJ | doub | 1.22Å | 1.18Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.46Å | 1.45Å | |
| OXT | C | doub | 1.21Å | 1.26Å | |
| O6 | C6 | sing | 1.35Å | 1.40Å | |
| CAJ | N | sing | 1.35Å | 1.45Å | |
| CAJ | C5 | sing | 1.47Å | 1.52Å | |
| C | O | sing | 1.34Å | 1.26Å | |
| C6 | C5 | doub | 1.40Å | 1.45Å | |
| C6 | N1 | sing | 1.36Å | 1.45Å | |
| C5 | C4 | sing | 1.47Å | 1.45Å | |
| CAQ | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.34Å | 1.52Å | |
| C4 | O4 | doub | 1.22Å | 1.19Å | |
| C4 | N3 | sing | 1.35Å | 1.44Å | |
| C2 | N3 | sing | 1.34Å | 1.52Å | |
| C2 | O2 | doub | 1.22Å | 1.18Å | |
| N3 | CAR | sing | 1.47Å | 1.46Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| CAQ | HA6 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HA5 | sing | 1.09Å | 1.10Å | |
| CAR | HA4 | sing | 1.09Å | 1.10Å | |
| CAR | HA3 | sing | 1.09Å | 1.10Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAN | CAJ | N | 120.3° | 120.0° |
| OAN | CAJ | C5 | 120.5° | 120.0° |
| C | CA | N | 108.1° | 109.5° |
| CA | C | OXT | 120.5° | 120.0° |
| CA | C | O | 118.9° | 120.0° |
| C | CA | HA2 | 109.8° | 109.4° |
| C | CA | HA1 | 109.8° | 109.4° |
| CA | N | CAJ | 120.0° | 120.0° |
| CA | N | H | 120.0° | 120.0° |
| N | CA | HA2 | 109.8° | 109.5° |
| N | CA | HA1 | 109.8° | 109.5° |
| OXT | C | O | 120.6° | 120.0° |
| O6 | C6 | C5 | 119.3° | 120.5° |
| O6 | C6 | N1 | 120.2° | 120.5° |
| C6 | O6 | H6 | 109.5° | 117.0° |
| N | CAJ | C5 | 119.1° | 120.0° |
| CAJ | N | H | 120.0° | 120.0° |
| CAJ | C5 | C6 | 120.0° | 121.0° |
| CAJ | C5 | C4 | 119.6° | 121.0° |
| C | O | H1 | 109.5° | 117.0° |
| C5 | C6 | N1 | 120.6° | 119.1° |
| C6 | C5 | C4 | 120.4° | 118.0° |
| C6 | N1 | CAQ | 119.1° | 119.4° |
| C6 | N1 | C2 | 121.4° | 121.3° |
| C5 | C4 | O4 | 119.8° | 120.7° |
| C5 | C4 | N3 | 121.0° | 118.7° |
| CAQ | N1 | C2 | 119.5° | 119.3° |
| N1 | CAQ | HA6 | 109.5° | 109.4° |
| N1 | CAQ | HAQ | 109.5° | 109.5° |
| N1 | CAQ | HA5 | 109.5° | 109.4° |
| N1 | C2 | N3 | 115.2° | 122.3° |
| N1 | C2 | O2 | 122.8° | 118.8° |
| O4 | C4 | N3 | 119.2° | 120.6° |
| C4 | N3 | C2 | 121.4° | 120.7° |
| C4 | N3 | CAR | 119.0° | 119.7° |
| N3 | C2 | O2 | 122.0° | 118.9° |
| C2 | N3 | CAR | 119.7° | 119.7° |
| N3 | CAR | HA4 | 109.5° | 109.5° |
| N3 | CAR | HA3 | 109.5° | 109.4° |
| N3 | CAR | HAR | 109.5° | 109.5° |
| HA2 | CA | HA1 | 109.5° | 109.5° |
| HA6 | CAQ | HAQ | 109.4° | 109.5° |
| HA6 | CAQ | HA5 | 109.5° | 109.5° |
| HAQ | CAQ | HA5 | 109.5° | 109.5° |
| HA4 | CAR | HA3 | 109.5° | 109.5° |
| HA4 | CAR | HAR | 109.4° | 109.5° |
| HA3 | CAR | HAR | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAN | CAJ | N | CA | 0.9° | 5.1° |
| OAN | CAJ | N | C5 | 178.4° | 180.0° |
| OAN | CAJ | C5 | C6 | 20.8° | 5.7° |
| OAN | CAJ | C5 | C4 | 159.6° | 174.0° |
| OAN | CAJ | N | H | 179.1° | 175.0° |
| C | CA | N | HA2 | 119.8° | 120.0° |
| C | CA | N | HA1 | 119.8° | 119.9° |
| CA | C | OXT | O | 179.8° | 180.0° |
| C | CA | N | CAJ | 177.3° | 180.0° |
| C | CA | N | H | 2.7° | 0.0° |
| C | CA | HA2 | HA1 | 120.6° | 119.9° |
| CA | C | O | H1 | 179.8° | 180.0° |
| N | CA | C | OXT | 174.3° | 0.0° |
| CA | N | CAJ | H | 180.0° | 180.0° |
| CA | N | CAJ | C5 | 179.3° | 174.9° |
| N | CA | C | O | 5.5° | 180.0° |
| N | CA | HA2 | HA1 | 120.7° | 120.1° |
| OXT | C | CA | HA2 | 65.9° | 120.0° |
| OXT | C | CA | HA1 | 54.5° | 120.0° |
| OXT | C | O | H1 | 0.0° | 0.0° |
| O6 | C6 | C5 | CAJ | 0.4° | 0.3° |
| O6 | C6 | C5 | N1 | 179.4° | 180.0° |
| O6 | C6 | C5 | C4 | 180.0° | 180.0° |
| O6 | C6 | N1 | CAQ | 0.4° | 0.1° |
| O6 | C6 | N1 | C2 | 179.7° | 180.0° |
| N | CAJ | C5 | C6 | 160.8° | 174.3° |
| N | CAJ | C5 | C4 | 18.8° | 6.1° |
| CAJ | N | CA | HA2 | 63.0° | 60.0° |
| CAJ | N | CA | HA1 | 57.5° | 60.0° |
| CAJ | C5 | C6 | C4 | 179.6° | 179.7° |
| CAJ | C5 | C6 | N1 | 179.7° | 179.7° |
| CAJ | C5 | C4 | O4 | 0.1° | 0.3° |
| CAJ | C5 | C4 | N3 | 179.9° | 179.7° |
| C5 | CAJ | N | H | 0.7° | 5.1° |
| O | C | CA | HA2 | 114.3° | 59.9° |
| O | C | CA | HA1 | 125.3° | 60.0° |
| C5 | C6 | N1 | CAQ | 179.7° | 180.0° |
| C5 | C6 | N1 | C2 | 0.4° | 0.1° |
| C6 | C5 | C4 | O4 | 179.6° | 180.0° |
| C6 | C5 | C4 | N3 | 0.5° | 0.1° |
| C5 | C6 | O6 | H6 | 7.6° | 180.0° |
| N1 | C6 | C5 | C4 | 0.6° | 0.0° |
| C6 | N1 | CAQ | C2 | 179.9° | 179.9° |
| C6 | N1 | C2 | N3 | 0.0° | 0.1° |
| C6 | N1 | C2 | O2 | 179.7° | 180.0° |
| N1 | C6 | O6 | H6 | 171.8° | 0.0° |
| C6 | N1 | CAQ | HA6 | 180.0° | 90.0° |
| C6 | N1 | CAQ | HAQ | 60.0° | 150.0° |
| C6 | N1 | CAQ | HA5 | 60.0° | 30.0° |
| C5 | C4 | O4 | N3 | 179.9° | 179.9° |
| C5 | C4 | N3 | C2 | 0.1° | 0.0° |
| C5 | C4 | N3 | CAR | 180.0° | 179.9° |
| CAQ | N1 | C2 | N3 | 179.9° | 180.0° |
| CAQ | N1 | C2 | O2 | 0.3° | 0.1° |
| N1 | CAQ | HA6 | HAQ | 120.0° | 120.0° |
| N1 | CAQ | HA6 | HA5 | 120.0° | 120.0° |
| N1 | CAQ | HAQ | HA5 | 120.0° | 120.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| N1 | C2 | N3 | O2 | 179.7° | 180.0° |
| N1 | C2 | N3 | CAR | 179.8° | 180.0° |
| C2 | N1 | CAQ | HA6 | 0.1° | 90.0° |
| C2 | N1 | CAQ | HAQ | 119.9° | 29.9° |
| C2 | N1 | CAQ | HA5 | 120.1° | 149.9° |
| O4 | C4 | N3 | C2 | 180.0° | 180.0° |
| O4 | C4 | N3 | CAR | 0.1° | 0.0° |
| C4 | N3 | C2 | CAR | 179.9° | 180.0° |
| C4 | N3 | C2 | O2 | 179.8° | 180.0° |
| C4 | N3 | CAR | HA4 | 180.0° | 90.0° |
| C4 | N3 | CAR | HA3 | 60.0° | 30.0° |
| C4 | N3 | CAR | HAR | 60.0° | 150.0° |
| C2 | N3 | CAR | HA4 | 0.1° | 90.0° |
| C2 | N3 | CAR | HA3 | 120.1° | 150.0° |
| C2 | N3 | CAR | HAR | 119.9° | 30.0° |
| O2 | C2 | N3 | CAR | 0.1° | 0.0° |
| N3 | CAR | HA4 | HA3 | 120.0° | 120.0° |
| N3 | CAR | HA4 | HAR | 120.0° | 120.0° |
| N3 | CAR | HA3 | HAR | 120.0° | 120.0° |
| H | N | CA | HA2 | 117.0° | 120.0° |
| H | N | CA | HA1 | 122.5° | 119.9° |
| HA6 | CAQ | HAQ | HA5 | 120.0° | 120.1° |
| HA4 | CAR | HA3 | HAR | 120.0° | 120.0° |
