A1A5T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C30 | sing | 1.53Å | 1.56Å | |
| C29 | C30 | sing | 1.53Å | 1.57Å | |
| C29 | C28 | sing | 1.53Å | 1.58Å | |
| C28 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | CD2 | sing | 1.43Å | 1.46Å | |
| CD2 | CG | sing | 1.53Å | 1.53Å | |
| CD1 | CG | sing | 1.53Å | 1.54Å | |
| CG | CB | sing | 1.53Å | 1.56Å | |
| CB | CA | sing | 1.53Å | 1.56Å | |
| C | CA | sing | 1.51Å | 1.57Å | |
| C | O | doub | 1.21Å | 1.39Å | |
| CA | N | sing | 1.47Å | 1.53Å | |
| N | C40 | sing | 1.47Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.53Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C30 | C29 | 114.0° | 109.4° |
| C31 | C30 | H301 | 108.3° | 109.4° |
| C31 | C30 | H302 | 108.3° | 109.4° |
| C30 | C31 | H312 | 109.5° | 109.4° |
| C30 | C31 | H311 | 109.5° | 109.5° |
| C30 | C31 | H313 | 109.5° | 109.5° |
| C30 | C29 | C28 | 111.1° | 109.5° |
| C30 | C29 | H292 | 109.1° | 109.5° |
| C30 | C29 | H291 | 109.1° | 109.5° |
| C29 | C30 | H301 | 108.3° | 109.5° |
| C29 | C30 | H302 | 108.4° | 109.5° |
| C29 | C28 | O2 | 113.5° | 109.5° |
| C29 | C28 | H281 | 108.5° | 109.5° |
| C29 | C28 | H282 | 108.4° | 109.5° |
| C28 | C29 | H292 | 109.0° | 109.5° |
| C28 | C29 | H291 | 109.0° | 109.5° |
| C28 | O2 | CD2 | 123.5° | 114.0° |
| O2 | C28 | H281 | 108.5° | 109.5° |
| O2 | C28 | H282 | 108.5° | 109.5° |
| O2 | CD2 | CG | 107.6° | 109.5° |
| O2 | CD2 | HD21 | 109.9° | 109.5° |
| O2 | CD2 | HD22 | 110.0° | 109.5° |
| CD2 | CG | CD1 | 108.3° | 109.5° |
| CD2 | CG | CB | 108.0° | 109.5° |
| CG | CD2 | HD21 | 110.0° | 109.4° |
| CG | CD2 | HD22 | 109.9° | 109.4° |
| CD2 | CG | HG | 110.0° | 109.5° |
| CD1 | CG | CB | 110.9° | 109.5° |
| CG | CD1 | HD11 | 109.5° | 109.5° |
| CG | CD1 | HD12 | 109.5° | 109.5° |
| CG | CD1 | HD13 | 109.5° | 109.5° |
| CD1 | CG | HG | 109.9° | 109.4° |
| CG | CB | CA | 113.4° | 109.5° |
| CG | CB | HB2 | 108.5° | 109.5° |
| CG | CB | HB3 | 108.5° | 109.4° |
| CB | CG | HG | 109.7° | 109.5° |
| CB | CA | C | 114.7° | 109.5° |
| CB | CA | N | 105.2° | 109.5° |
| CB | CA | HA | 107.6° | 109.5° |
| CA | CB | HB2 | 108.5° | 109.5° |
| CA | CB | HB3 | 108.5° | 109.5° |
| CA | C | O | 112.4° | 120.0° |
| C | CA | N | 113.5° | 109.5° |
| C | CA | HA | 107.5° | 109.5° |
| CA | C | OXT | 112.4° | 120.0° |
| O | C | OXT | 110.3° | 120.0° |
| CA | N | C40 | 117.0° | 111.0° |
| N | CA | HA | 108.0° | 109.5° |
| CA | N | H | 107.5° | 111.0° |
| N | C40 | H401 | 109.5° | 109.5° |
| N | C40 | H403 | 109.4° | 109.5° |
| N | C40 | H402 | 109.5° | 109.5° |
| C40 | N | H | 107.6° | 111.0° |
| HD11 | CD1 | HD12 | 109.5° | 109.4° |
| HD11 | CD1 | HD13 | 109.5° | 109.4° |
| HD12 | CD1 | HD13 | 109.4° | 109.5° |
| HD21 | CD2 | HD22 | 109.5° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.4° |
| H292 | C29 | H291 | 109.5° | 109.4° |
| H301 | C30 | H302 | 109.5° | 109.6° |
| H312 | C31 | H311 | 109.5° | 109.5° |
| H312 | C31 | H313 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.4° | 109.5° |
| H401 | C40 | H403 | 109.5° | 109.4° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H403 | C40 | H402 | 109.5° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C30 | C29 | H301 | 120.7° | 119.9° |
| C31 | C30 | C29 | H302 | 120.7° | 119.9° |
| C31 | C30 | C29 | C28 | 45.5° | 180.0° |
| C31 | C30 | C29 | H292 | 165.7° | 60.0° |
| C31 | C30 | C29 | H291 | 74.8° | 60.0° |
| C31 | C30 | H301 | H302 | 117.9° | 120.0° |
| C30 | C31 | H312 | H311 | 120.0° | 120.0° |
| C30 | C31 | H312 | H313 | 120.0° | 120.0° |
| C30 | C31 | H311 | H313 | 120.0° | 120.0° |
| C30 | C29 | C28 | H292 | 120.3° | 120.0° |
| C30 | C29 | C28 | H291 | 120.2° | 120.0° |
| C30 | C29 | C28 | O2 | 56.0° | 180.0° |
| C30 | C29 | C28 | H281 | 176.6° | 60.0° |
| C30 | C29 | C28 | H282 | 64.6° | 60.0° |
| C30 | C29 | H292 | H291 | 119.3° | 120.0° |
| C29 | C30 | H301 | H302 | 118.0° | 120.1° |
| C29 | C30 | C31 | H312 | 180.0° | 180.0° |
| C29 | C30 | C31 | H311 | 60.0° | 60.1° |
| C29 | C30 | C31 | H313 | 60.0° | 60.0° |
| C29 | C28 | O2 | H281 | 120.6° | 120.0° |
| C29 | C28 | O2 | H282 | 120.6° | 120.0° |
| C29 | C28 | O2 | CD2 | 157.2° | 180.0° |
| C29 | C28 | H281 | H282 | 118.1° | 120.0° |
| C28 | C29 | H292 | H291 | 119.2° | 120.0° |
| C28 | C29 | C30 | H301 | 75.2° | 60.1° |
| C28 | C29 | C30 | H302 | 166.1° | 60.1° |
| C28 | O2 | CD2 | CG | 68.0° | 180.0° |
| C28 | O2 | CD2 | HD21 | 51.7° | 60.0° |
| C28 | O2 | CD2 | HD22 | 172.3° | 60.0° |
| O2 | C28 | H281 | H282 | 118.2° | 120.0° |
| O2 | C28 | C29 | H292 | 64.2° | 60.0° |
| O2 | C28 | C29 | H291 | 176.3° | 60.0° |
| O2 | CD2 | CG | HD21 | 119.7° | 120.0° |
| O2 | CD2 | CG | HD22 | 119.7° | 120.0° |
| O2 | CD2 | CG | CD1 | 161.9° | 65.0° |
| O2 | CD2 | CG | CB | 77.9° | 175.0° |
| O2 | CD2 | HD21 | HD22 | 120.9° | 120.1° |
| O2 | CD2 | CG | HG | 41.8° | 55.0° |
| CD2 | O2 | C28 | H281 | 82.2° | 60.0° |
| CD2 | O2 | C28 | H282 | 36.6° | 60.0° |
| CD2 | CG | CD1 | CB | 118.4° | 120.0° |
| CD2 | CG | CD1 | HG | 120.2° | 120.0° |
| CD2 | CG | CB | HG | 119.9° | 120.1° |
| CD2 | CG | CB | CA | 63.7° | 175.0° |
| CD2 | CG | CD1 | HD11 | 180.0° | 60.0° |
| CD2 | CG | CD1 | HD12 | 60.0° | 180.0° |
| CD2 | CG | CD1 | HD13 | 60.0° | 60.0° |
| CG | CD2 | HD21 | HD22 | 120.9° | 120.0° |
| CD2 | CG | CB | HB2 | 56.9° | 55.0° |
| CD2 | CG | CB | HB3 | 175.7° | 65.0° |
| CD1 | CG | CB | HG | 121.6° | 119.9° |
| CD1 | CG | CB | CA | 54.8° | 65.0° |
| CG | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| CG | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| CG | CD1 | HD12 | HD13 | 120.0° | 120.1° |
| CD1 | CG | CD2 | HD21 | 42.2° | 55.0° |
| CD1 | CG | CD2 | HD22 | 78.3° | 175.0° |
| CD1 | CG | CB | HB2 | 175.4° | 175.0° |
| CD1 | CG | CB | HB3 | 65.8° | 55.0° |
| CG | CB | CA | HB2 | 120.6° | 120.0° |
| CG | CB | CA | HB3 | 120.6° | 119.9° |
| CG | CB | CA | C | 41.6° | 175.0° |
| CG | CB | CA | N | 167.0° | 65.0° |
| CG | CB | CA | HA | 78.0° | 55.0° |
| CB | CG | CD1 | HD11 | 61.6° | 60.0° |
| CB | CG | CD1 | HD12 | 178.3° | 59.9° |
| CB | CG | CD1 | HD13 | 58.4° | 180.0° |
| CB | CG | CD2 | HD21 | 162.4° | 65.0° |
| CB | CG | CD2 | HD22 | 41.8° | 55.0° |
| CG | CB | HB2 | HB3 | 118.2° | 120.0° |
| CB | CA | C | N | 121.0° | 120.0° |
| CB | CA | C | HA | 119.6° | 120.0° |
| CB | CA | C | O | 131.1° | 120.0° |
| CB | CA | N | HA | 114.7° | 120.0° |
| CB | CA | N | C40 | 103.4° | 155.0° |
| CA | CB | HB2 | HB3 | 118.2° | 120.0° |
| CA | CB | CG | HG | 176.4° | 55.0° |
| CB | CA | N | H | 135.5° | 81.0° |
| CB | CA | C | OXT | 5.9° | 60.0° |
| CA | C | O | OXT | 126.3° | 179.9° |
| C | CA | N | HA | 119.1° | 120.0° |
| C | CA | N | C40 | 130.4° | 85.0° |
| C | CA | CB | HB2 | 79.0° | 65.0° |
| C | CA | CB | HB3 | 162.2° | 55.0° |
| C | CA | N | H | 9.3° | 39.0° |
| CA | C | OXT | HXT | 126.3° | 180.0° |
| O | C | CA | N | 10.1° | 0.0° |
| O | C | CA | HA | 109.3° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| CA | N | C40 | H | 121.1° | 124.0° |
| N | CA | CB | HB2 | 46.5° | 55.0° |
| N | CA | CB | HB3 | 72.4° | 175.0° |
| CA | N | C40 | H401 | 180.0° | 180.0° |
| CA | N | C40 | H403 | 60.0° | 60.0° |
| CA | N | C40 | H402 | 60.0° | 60.0° |
| N | CA | C | OXT | 115.1° | 180.0° |
| C40 | N | CA | HA | 11.3° | 35.0° |
| N | C40 | H401 | H403 | 120.0° | 120.0° |
| N | C40 | H401 | H402 | 120.0° | 120.0° |
| N | C40 | H403 | H402 | 120.0° | 120.0° |
| HA | CA | CB | HB2 | 161.4° | 175.0° |
| HA | CA | CB | HB3 | 42.6° | 65.0° |
| HA | CA | N | H | 109.8° | 159.0° |
| HA | CA | C | OXT | 125.6° | 60.0° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| HD11 | CD1 | CG | HG | 59.8° | 180.0° |
| HD12 | CD1 | CG | HG | 60.2° | 60.0° |
| HD13 | CD1 | CG | HG | 179.9° | 60.0° |
| HD21 | CD2 | CG | HG | 77.9° | 175.0° |
| HD22 | CD2 | CG | HG | 161.6° | 65.0° |
| HB2 | CB | CG | HG | 63.1° | 65.0° |
| HB3 | CB | CG | HG | 55.8° | 174.9° |
| H281 | C28 | C29 | H292 | 56.4° | 180.0° |
| H281 | C28 | C29 | H291 | 63.1° | 60.0° |
| H282 | C28 | C29 | H292 | 175.2° | 60.0° |
| H282 | C28 | C29 | H291 | 55.7° | 180.0° |
| H292 | C29 | C30 | H301 | 45.0° | 179.9° |
| H292 | C29 | C30 | H302 | 73.6° | 59.9° |
| H291 | C29 | C30 | H301 | 164.6° | 60.0° |
| H291 | C29 | C30 | H302 | 45.9° | 179.9° |
| H301 | C30 | C31 | H312 | 59.3° | 60.0° |
| H301 | C30 | C31 | H311 | 60.7° | 180.0° |
| H301 | C30 | C31 | H313 | 179.3° | 60.0° |
| H302 | C30 | C31 | H312 | 59.4° | 60.0° |
| H302 | C30 | C31 | H311 | 179.3° | 59.9° |
| H302 | C30 | C31 | H313 | 60.7° | 180.0° |
| H312 | C31 | H311 | H313 | 120.0° | 120.0° |
| H401 | C40 | H403 | H402 | 120.0° | 120.0° |
| H401 | C40 | N | H | 58.9° | 56.0° |
| H403 | C40 | N | H | 178.9° | 176.0° |
| H402 | C40 | N | H | 61.1° | 64.0° |
