3A5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | CB | sing | 1.51Å | 1.43Å | |
| CA | C | sing | 1.48Å | 1.43Å | |
| CA | N | doub | 1.28Å | 1.36Å | |
| C | O | doub | 1.21Å | 1.29Å | |
| C | OXT | sing | 1.35Å | 1.34Å | |
| O1 | C1 | doub | 1.21Å | 1.16Å | |
| C1 | O2 | sing | 1.34Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | N | sing | 1.46Å | 1.49Å | |
| C3 | C4 | sing | 1.51Å | 1.60Å | |
| C4 | O4 | doub | 1.21Å | 1.22Å | |
| C4 | O45 | sing | 1.34Å | 1.33Å | |
| O45 | C5 | sing | 1.45Å | 1.50Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| O2 | H22 | sing | 0.97Å | 0.95Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB | CA | C | 115.5° | 120.0° |
| CB | CA | N | 127.1° | 119.9° |
| CA | CB | HB1 | 109.5° | 109.4° |
| CA | CB | HB2 | 109.4° | 109.5° |
| CA | CB | HB3 | 109.4° | 109.5° |
| C | CA | N | 117.1° | 120.0° |
| CA | C | O | 118.4° | 120.0° |
| CA | C | OXT | 126.1° | 120.0° |
| CA | N | C3 | 122.4° | 120.1° |
| O | C | OXT | 115.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.1° |
| O1 | C1 | O2 | 119.7° | 120.0° |
| O1 | C1 | C2 | 120.1° | 120.0° |
| O2 | C1 | C2 | 120.2° | 120.0° |
| C1 | O2 | H22 | 109.5° | 117.0° |
| C1 | C2 | C3 | 113.2° | 109.4° |
| C1 | C2 | H21C | 108.5° | 109.5° |
| C1 | C2 | H22C | 108.5° | 109.5° |
| C2 | C3 | N | 113.2° | 109.5° |
| C2 | C3 | C4 | 108.3° | 109.4° |
| C3 | C2 | H21C | 108.5° | 109.5° |
| C3 | C2 | H22C | 108.5° | 109.5° |
| C2 | C3 | H3 | 110.0° | 109.4° |
| N | C3 | C4 | 105.8° | 109.5° |
| N | C3 | H3 | 110.4° | 109.5° |
| C3 | C4 | O4 | 122.7° | 120.0° |
| C3 | C4 | O45 | 117.3° | 120.0° |
| C4 | C3 | H3 | 109.0° | 109.5° |
| O4 | C4 | O45 | 119.2° | 120.0° |
| C4 | O45 | C5 | 111.1° | 117.0° |
| O45 | C5 | H51 | 109.5° | 109.4° |
| O45 | C5 | H52 | 109.5° | 109.6° |
| O45 | C5 | H53 | 109.5° | 109.5° |
| HB1 | CB | HB2 | 109.5° | 109.4° |
| HB1 | CB | HB3 | 109.5° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| H51 | C5 | H53 | 109.4° | 109.4° |
| H52 | C5 | H53 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB | CA | C | N | 174.3° | 179.7° |
| CB | CA | C | O | 159.3° | 0.0° |
| CB | CA | C | OXT | 21.0° | 179.9° |
| CB | CA | N | C3 | 7.7° | 5.8° |
| CA | CB | HB1 | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 120.0° | 120.1° |
| CA | C | O | OXT | 179.8° | 179.9° |
| C | CA | N | C3 | 178.8° | 174.5° |
| C | CA | CB | HB1 | 180.0° | 5.1° |
| C | CA | CB | HB2 | 60.0° | 114.9° |
| C | CA | CB | HB3 | 60.0° | 125.1° |
| CA | C | OXT | HXT | 179.8° | 179.9° |
| N | CA | C | O | 15.0° | 179.8° |
| N | CA | C | OXT | 164.8° | 0.3° |
| CA | N | C3 | C2 | 171.0° | 126.5° |
| CA | N | C3 | C4 | 70.5° | 113.5° |
| N | CA | CB | HB1 | 6.4° | 174.7° |
| N | CA | CB | HB2 | 113.6° | 65.4° |
| N | CA | CB | HB3 | 126.4° | 54.7° |
| CA | N | C3 | H3 | 47.3° | 6.5° |
| O | C | OXT | HXT | 0.0° | 0.2° |
| O1 | C1 | O2 | C2 | 179.3° | 180.0° |
| O1 | C1 | C2 | C3 | 11.4° | 0.0° |
| O1 | C1 | O2 | H22 | 0.0° | 0.1° |
| O1 | C1 | C2 | H21C | 109.2° | 120.0° |
| O1 | C1 | C2 | H22C | 131.9° | 120.0° |
| O2 | C1 | C2 | C3 | 167.9° | 180.0° |
| O2 | C1 | C2 | H21C | 71.6° | 60.0° |
| O2 | C1 | C2 | H22C | 47.3° | 60.0° |
| C1 | C2 | C3 | H21C | 120.5° | 120.0° |
| C1 | C2 | C3 | H22C | 120.6° | 120.0° |
| C1 | C2 | C3 | N | 64.1° | 65.0° |
| C1 | C2 | C3 | C4 | 178.9° | 175.0° |
| C2 | C1 | O2 | H22 | 179.3° | 180.0° |
| C1 | C2 | H21C | H22C | 118.3° | 120.0° |
| C1 | C2 | C3 | H3 | 59.9° | 55.0° |
| C2 | C3 | N | C4 | 118.5° | 120.0° |
| C2 | C3 | N | H3 | 123.8° | 120.0° |
| C2 | C3 | C4 | H3 | 119.6° | 119.9° |
| C2 | C3 | C4 | O4 | 55.0° | 120.0° |
| C2 | C3 | C4 | O45 | 114.1° | 59.9° |
| C3 | C2 | H21C | H22C | 118.3° | 120.0° |
| N | C3 | C4 | H3 | 118.7° | 120.0° |
| N | C3 | C4 | O4 | 176.6° | 0.0° |
| N | C3 | C4 | O45 | 7.5° | 179.9° |
| N | C3 | C2 | H21C | 175.4° | 175.0° |
| N | C3 | C2 | H22C | 56.4° | 55.0° |
| C3 | C4 | O4 | O45 | 168.9° | 179.9° |
| C3 | C4 | O45 | C5 | 179.3° | 180.0° |
| C4 | C3 | C2 | H21C | 58.4° | 55.0° |
| C4 | C3 | C2 | H22C | 60.5° | 65.1° |
| O4 | C4 | O45 | C5 | 9.8° | 0.1° |
| O4 | C4 | C3 | H3 | 64.7° | 120.1° |
| O45 | C4 | C3 | H3 | 126.2° | 60.0° |
| C4 | O45 | C5 | H51 | 180.0° | 60.1° |
| C4 | O45 | C5 | H52 | 60.0° | 59.9° |
| C4 | O45 | C5 | H53 | 60.0° | 180.0° |
| O45 | C5 | H51 | H52 | 120.0° | 120.1° |
| O45 | C5 | H51 | H53 | 120.0° | 120.0° |
| O45 | C5 | H52 | H53 | 120.0° | 120.1° |
| HB1 | CB | HB2 | HB3 | 120.0° | 120.0° |
| H21C | C2 | C3 | H3 | 60.6° | 65.0° |
| H22C | C2 | C3 | H3 | 179.5° | 175.0° |
| H51 | C5 | H52 | H53 | 120.0° | 119.9° |
