34E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | OK | sing | 1.43Å | 1.43Å | |
| OK | CI | sing | 1.43Å | 1.43Å | |
| CI | CQ | sing | 1.53Å | 1.51Å | |
| CQ | NH | sing | 1.47Å | 1.47Å | |
| CZ1 | CE1 | sing | 1.53Å | 1.52Å | |
| CZ1 | NH | sing | 1.47Å | 1.47Å | |
| CE1 | ND | sing | 1.47Å | 1.46Å | |
| NH | CZ2 | sing | 1.47Å | 1.46Å | |
| ND | CG1 | sing | 1.47Å | 1.47Å | |
| ND | CE2 | sing | 1.47Å | 1.48Å | |
| CZ2 | CE2 | sing | 1.53Å | 1.52Å | |
| CG1 | CB | sing | 1.53Å | 1.62Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.55Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CB | CG2 | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| N | CM | sing | 1.47Å | 1.47Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CM | HM3 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | sing | 1.09Å | 1.10Å | |
| CQ | HQ1 | sing | 1.09Å | 1.10Å | |
| CQ | HQ2 | sing | 1.09Å | 1.10Å | |
| CI | HI1 | sing | 1.09Å | 1.10Å | |
| CI | HI2 | sing | 1.09Å | 1.10Å | |
| CL | HL1 | sing | 1.09Å | 1.10Å | |
| CL | HL2 | sing | 1.09Å | 1.10Å | |
| CL | HL3 | sing | 1.09Å | 1.10Å | |
| CZ2 | HZ21 | sing | 1.09Å | 1.10Å | |
| CZ2 | HZ22 | sing | 1.09Å | 1.10Å | |
| CE2 | HE21 | sing | 1.09Å | 1.10Å | |
| CE2 | HE22 | sing | 1.09Å | 1.10Å | |
| CE1 | HE11 | sing | 1.09Å | 1.10Å | |
| CE1 | HE12 | sing | 1.09Å | 1.10Å | |
| CZ1 | HZ11 | sing | 1.09Å | 1.10Å | |
| CZ1 | HZ12 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | OK | CI | 113.0° | 114.0° |
| OK | CL | HL1 | 109.5° | 109.4° |
| OK | CL | HL2 | 109.5° | 109.5° |
| OK | CL | HL3 | 109.4° | 109.5° |
| OK | CI | CQ | 109.3° | 109.4° |
| OK | CI | HI1 | 109.5° | 109.5° |
| OK | CI | HI2 | 109.5° | 109.5° |
| CI | CQ | NH | 112.8° | 109.5° |
| CI | CQ | HQ1 | 108.6° | 109.5° |
| CI | CQ | HQ2 | 108.6° | 109.5° |
| CQ | CI | HI1 | 109.5° | 109.5° |
| CQ | CI | HI2 | 109.5° | 109.5° |
| CQ | NH | CZ1 | 111.7° | 111.0° |
| CQ | NH | CZ2 | 112.8° | 111.0° |
| NH | CQ | HQ1 | 108.6° | 109.5° |
| NH | CQ | HQ2 | 108.6° | 109.5° |
| CE1 | CZ1 | NH | 110.4° | 109.3° |
| CZ1 | CE1 | ND | 110.6° | 109.4° |
| CZ1 | CE1 | HE11 | 109.2° | 109.5° |
| CZ1 | CE1 | HE12 | 109.2° | 109.5° |
| CE1 | CZ1 | HZ11 | 109.3° | 109.5° |
| CE1 | CZ1 | HZ12 | 109.2° | 109.5° |
| CZ1 | NH | CZ2 | 108.8° | 110.9° |
| NH | CZ1 | HZ11 | 109.2° | 109.5° |
| NH | CZ1 | HZ12 | 109.3° | 109.5° |
| CE1 | ND | CG1 | 109.0° | 111.0° |
| CE1 | ND | CE2 | 110.0° | 110.9° |
| ND | CE1 | HE11 | 109.2° | 109.5° |
| ND | CE1 | HE12 | 109.2° | 109.5° |
| NH | CZ2 | CE2 | 110.4° | 109.4° |
| NH | CZ2 | HZ21 | 109.2° | 109.4° |
| NH | CZ2 | HZ22 | 109.3° | 109.5° |
| CG1 | ND | CE2 | 112.9° | 111.0° |
| ND | CG1 | CB | 115.8° | 109.5° |
| ND | CG1 | HG11 | 107.9° | 109.5° |
| ND | CG1 | HG12 | 107.9° | 109.5° |
| ND | CE2 | CZ2 | 111.2° | 109.4° |
| ND | CE2 | HE21 | 109.0° | 109.5° |
| ND | CE2 | HE22 | 109.0° | 109.5° |
| CE2 | CZ2 | HZ21 | 109.2° | 109.5° |
| CE2 | CZ2 | HZ22 | 109.2° | 109.5° |
| CZ2 | CE2 | HE21 | 109.0° | 109.5° |
| CZ2 | CE2 | HE22 | 109.1° | 109.4° |
| CG1 | CB | CA | 114.0° | 109.5° |
| CG1 | CB | CG2 | 103.1° | 109.4° |
| CG1 | CB | HB | 109.0° | 109.5° |
| CB | CG1 | HG11 | 107.9° | 109.5° |
| CB | CG1 | HG12 | 107.9° | 109.5° |
| O | C | CA | 121.1° | 120.0° |
| O | C | OXT | 122.9° | 120.0° |
| C | CA | CB | 118.4° | 109.5° |
| C | CA | N | 108.7° | 109.5° |
| C | CA | HA | 104.9° | 109.5° |
| CA | C | OXT | 116.0° | 120.0° |
| CA | CB | CG2 | 110.2° | 109.5° |
| CB | CA | N | 113.0° | 109.5° |
| CB | CA | HA | 105.0° | 109.5° |
| CA | CB | HB | 110.1° | 109.5° |
| CG2 | CB | HB | 110.3° | 109.5° |
| CB | CG2 | HG21 | 109.5° | 109.5° |
| CB | CG2 | HG22 | 109.5° | 109.4° |
| CB | CG2 | HG23 | 109.5° | 109.5° |
| CA | N | CM | 117.7° | 111.0° |
| N | CA | HA | 105.7° | 109.4° |
| CA | N | H | 107.4° | 111.0° |
| N | CM | HM1 | 109.5° | 109.5° |
| N | CM | HM2 | 109.5° | 109.4° |
| N | CM | HM3 | 109.5° | 109.5° |
| CM | N | H | 107.4° | 111.0° |
| HM1 | CM | HM2 | 109.5° | 109.5° |
| HM1 | CM | HM3 | 109.5° | 109.5° |
| HM2 | CM | HM3 | 109.5° | 109.5° |
| HG11 | CG1 | HG12 | 109.5° | 109.5° |
| HG21 | CG2 | HG22 | 109.4° | 109.4° |
| HG21 | CG2 | HG23 | 109.4° | 109.5° |
| HG22 | CG2 | HG23 | 109.5° | 109.5° |
| HQ1 | CQ | HQ2 | 109.5° | 109.4° |
| HI1 | CI | HI2 | 109.4° | 109.5° |
| HL1 | CL | HL2 | 109.5° | 109.5° |
| HL1 | CL | HL3 | 109.4° | 109.4° |
| HL2 | CL | HL3 | 109.5° | 109.5° |
| HZ21 | CZ2 | HZ22 | 109.5° | 109.5° |
| HE21 | CE2 | HE22 | 109.5° | 109.5° |
| HE11 | CE1 | HE12 | 109.5° | 109.5° |
| HZ11 | CZ1 | HZ12 | 109.4° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | OK | CI | CQ | 109.7° | 180.0° |
| CL | OK | CI | HI1 | 130.3° | 60.1° |
| CL | OK | CI | HI2 | 10.3° | 60.0° |
| OK | CL | HL1 | HL2 | 120.0° | 120.0° |
| OK | CL | HL1 | HL3 | 120.0° | 119.9° |
| OK | CL | HL2 | HL3 | 120.0° | 120.0° |
| OK | CI | CQ | HI1 | 120.0° | 120.0° |
| OK | CI | CQ | HI2 | 120.0° | 120.0° |
| OK | CI | CQ | NH | 16.2° | 55.9° |
| OK | CI | CQ | HQ1 | 136.7° | 64.1° |
| OK | CI | CQ | HQ2 | 104.2° | 175.9° |
| OK | CI | HI1 | HI2 | 120.1° | 120.0° |
| CI | OK | CL | HL1 | 180.0° | 60.1° |
| CI | OK | CL | HL2 | 60.0° | 59.9° |
| CI | OK | CL | HL3 | 60.0° | 180.0° |
| CI | CQ | NH | HQ1 | 120.5° | 120.1° |
| CI | CQ | NH | HQ2 | 120.5° | 120.0° |
| CI | CQ | NH | CZ1 | 102.2° | 159.8° |
| CI | CQ | NH | CZ2 | 134.8° | 76.4° |
| CI | CQ | HQ1 | HQ2 | 118.5° | 120.0° |
| CQ | CI | HI1 | HI2 | 120.1° | 120.0° |
| CQ | NH | CZ1 | CE1 | 174.3° | 176.8° |
| CQ | NH | CZ1 | CZ2 | 125.2° | 123.9° |
| CQ | NH | CZ2 | CE2 | 176.2° | 176.8° |
| NH | CQ | HQ1 | HQ2 | 118.5° | 120.0° |
| NH | CQ | CI | HI1 | 103.7° | 175.9° |
| NH | CQ | CI | HI2 | 136.2° | 64.1° |
| CQ | NH | CZ2 | HZ21 | 56.1° | 56.8° |
| CQ | NH | CZ2 | HZ22 | 63.6° | 63.2° |
| CQ | NH | CZ1 | HZ11 | 54.1° | 63.3° |
| CQ | NH | CZ1 | HZ12 | 65.6° | 56.8° |
| CE1 | CZ1 | NH | HZ11 | 120.2° | 119.9° |
| CE1 | CZ1 | NH | HZ12 | 120.1° | 120.0° |
| CZ1 | CE1 | ND | HE11 | 120.2° | 120.0° |
| CZ1 | CE1 | ND | HE12 | 120.2° | 120.0° |
| CE1 | CZ1 | NH | CZ2 | 60.5° | 59.3° |
| CZ1 | CE1 | ND | CG1 | 179.5° | 176.8° |
| CZ1 | CE1 | ND | CE2 | 56.2° | 59.3° |
| CZ1 | CE1 | HE11 | HE12 | 119.5° | 120.1° |
| CE1 | CZ1 | HZ11 | HZ12 | 119.6° | 120.1° |
| NH | CZ1 | CE1 | ND | 59.7° | 58.4° |
| CZ1 | NH | CZ2 | CE2 | 59.2° | 59.3° |
| CZ1 | NH | CQ | HQ1 | 137.3° | 39.8° |
| CZ1 | NH | CQ | HQ2 | 18.3° | 80.2° |
| CZ1 | NH | CZ2 | HZ21 | 179.3° | 179.3° |
| CZ1 | NH | CZ2 | HZ22 | 60.9° | 60.7° |
| NH | CZ1 | CE1 | HE11 | 179.8° | 61.6° |
| NH | CZ1 | CE1 | HE12 | 60.5° | 178.3° |
| NH | CZ1 | HZ11 | HZ12 | 119.6° | 120.1° |
| CE1 | ND | CG1 | CE2 | 122.6° | 123.8° |
| CE1 | ND | CE2 | CZ2 | 55.3° | 59.3° |
| CE1 | ND | CG1 | CB | 177.0° | 73.6° |
| CE1 | ND | CG1 | HG11 | 56.1° | 166.4° |
| CE1 | ND | CG1 | HG12 | 62.1° | 46.4° |
| CE1 | ND | CE2 | HE21 | 175.5° | 60.7° |
| CE1 | ND | CE2 | HE22 | 65.0° | 179.2° |
| ND | CE1 | HE11 | HE12 | 119.5° | 120.0° |
| ND | CE1 | CZ1 | HZ11 | 179.8° | 61.5° |
| ND | CE1 | CZ1 | HZ12 | 60.5° | 178.4° |
| NH | CZ2 | CE2 | ND | 57.3° | 58.4° |
| NH | CZ2 | CE2 | HZ21 | 120.1° | 120.0° |
| NH | CZ2 | CE2 | HZ22 | 120.2° | 120.0° |
| CZ2 | NH | CQ | HQ1 | 14.3° | 163.6° |
| CZ2 | NH | CQ | HQ2 | 104.7° | 43.6° |
| NH | CZ2 | HZ21 | HZ22 | 119.6° | 120.0° |
| NH | CZ2 | CE2 | HE21 | 177.6° | 61.6° |
| NH | CZ2 | CE2 | HE22 | 62.9° | 178.4° |
| CZ2 | NH | CZ1 | HZ11 | 179.3° | 60.6° |
| CZ2 | NH | CZ1 | HZ12 | 59.6° | 179.3° |
| CG1 | ND | CE2 | CZ2 | 177.3° | 176.8° |
| ND | CG1 | CB | HG11 | 120.9° | 120.0° |
| ND | CG1 | CB | HG12 | 120.9° | 120.0° |
| ND | CG1 | CB | CA | 176.4° | 65.5° |
| ND | CG1 | CB | CG2 | 64.1° | 174.5° |
| ND | CG1 | CB | HB | 53.1° | 54.5° |
| ND | CG1 | HG11 | HG12 | 117.1° | 120.0° |
| CG1 | ND | CE2 | HE21 | 62.5° | 63.2° |
| CG1 | ND | CE2 | HE22 | 57.0° | 56.9° |
| CG1 | ND | CE1 | HE11 | 59.3° | 63.3° |
| CG1 | ND | CE1 | HE12 | 60.4° | 56.8° |
| ND | CE2 | CZ2 | HE21 | 120.3° | 120.0° |
| ND | CE2 | CZ2 | HE22 | 120.2° | 120.0° |
| CE2 | ND | CG1 | CB | 60.4° | 162.6° |
| CE2 | ND | CG1 | HG11 | 178.7° | 42.6° |
| CE2 | ND | CG1 | HG12 | 60.5° | 77.4° |
| ND | CE2 | CZ2 | HZ21 | 177.4° | 178.4° |
| ND | CE2 | CZ2 | HZ22 | 62.9° | 61.6° |
| ND | CE2 | HE21 | HE22 | 119.2° | 120.1° |
| CE2 | ND | CE1 | HE11 | 176.4° | 60.6° |
| CE2 | ND | CE1 | HE12 | 63.9° | 179.3° |
| CE2 | CZ2 | HZ21 | HZ22 | 119.6° | 120.1° |
| CZ2 | CE2 | HE21 | HE22 | 119.3° | 120.0° |
| CG1 | CB | CA | C | 72.9° | 65.9° |
| CG1 | CB | CA | CG2 | 115.3° | 119.9° |
| CG1 | CB | CA | HB | 122.8° | 120.0° |
| CG1 | CB | CG2 | HB | 116.3° | 120.0° |
| CG1 | CB | CA | N | 158.5° | 174.1° |
| CG1 | CB | CA | HA | 43.7° | 54.1° |
| CB | CG1 | HG11 | HG12 | 117.2° | 120.0° |
| CG1 | CB | CG2 | HG21 | 180.0° | 65.0° |
| CG1 | CB | CG2 | HG22 | 60.0° | 175.1° |
| CG1 | CB | CG2 | HG23 | 60.0° | 55.1° |
| O | C | CA | OXT | 179.6° | 179.9° |
| O | C | CA | CB | 45.1° | 90.7° |
| O | C | CA | N | 85.5° | 29.3° |
| O | C | CA | HA | 161.8° | 149.3° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | CB | N | 128.7° | 120.0° |
| C | CA | CB | HA | 116.6° | 120.0° |
| C | CA | CB | CG2 | 171.8° | 174.2° |
| C | CA | N | HA | 112.1° | 120.0° |
| C | CA | N | CM | 66.0° | 85.0° |
| C | CA | CB | HB | 50.0° | 54.1° |
| CA | C | OXT | HXT | 179.7° | 180.0° |
| C | CA | N | H | 172.8° | 39.0° |
| CA | CB | CG2 | HB | 121.7° | 120.1° |
| CB | CA | N | HA | 114.3° | 120.0° |
| CB | CA | N | CM | 67.5° | 155.0° |
| CA | CB | CG1 | HG11 | 62.7° | 54.5° |
| CA | CB | CG1 | HG12 | 55.6° | 174.5° |
| CA | CB | CG2 | HG21 | 58.0° | 55.0° |
| CA | CB | CG2 | HG22 | 178.0° | 65.0° |
| CA | CB | CG2 | HG23 | 62.0° | 175.1° |
| CB | CA | C | OXT | 135.2° | 89.2° |
| CB | CA | N | H | 53.6° | 81.0° |
| CG2 | CB | CA | N | 43.1° | 54.2° |
| CG2 | CB | CA | HA | 71.6° | 65.8° |
| CG2 | CB | CG1 | HG11 | 56.8° | 65.5° |
| CG2 | CB | CG1 | HG12 | 175.0° | 54.5° |
| CB | CG2 | HG21 | HG22 | 120.0° | 119.9° |
| CB | CG2 | HG21 | HG23 | 120.0° | 120.1° |
| CB | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| CA | N | CM | H | 121.2° | 124.0° |
| CA | N | CM | HM1 | 180.0° | 60.0° |
| CA | N | CM | HM2 | 60.0° | 60.0° |
| CA | N | CM | HM3 | 60.0° | 180.0° |
| N | CA | CB | HB | 78.7° | 65.9° |
| N | CA | C | OXT | 94.1° | 150.8° |
| N | CM | HM1 | HM2 | 120.0° | 120.0° |
| N | CM | HM1 | HM3 | 120.0° | 120.1° |
| N | CM | HM2 | HM3 | 120.0° | 120.0° |
| CM | N | CA | HA | 178.1° | 35.0° |
| HM1 | CM | HM2 | HM3 | 120.0° | 120.0° |
| HM1 | CM | N | H | 58.8° | 176.0° |
| HM2 | CM | N | H | 178.8° | 64.0° |
| HM3 | CM | N | H | 61.2° | 56.0° |
| HA | CA | CB | HB | 166.5° | 174.1° |
| HA | CA | C | OXT | 18.6° | 30.8° |
| HA | CA | N | H | 60.7° | 159.0° |
| HB | CB | CG1 | HG11 | 174.0° | 174.5° |
| HB | CB | CG1 | HG12 | 67.8° | 65.5° |
| HB | CB | CG2 | HG21 | 63.7° | 175.1° |
| HB | CB | CG2 | HG22 | 56.3° | 55.1° |
| HB | CB | CG2 | HG23 | 176.3° | 64.9° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| HQ1 | CQ | CI | HI1 | 16.8° | 55.9° |
| HQ1 | CQ | CI | HI2 | 103.3° | 175.9° |
| HQ2 | CQ | CI | HI1 | 135.8° | 64.1° |
| HQ2 | CQ | CI | HI2 | 15.8° | 55.9° |
| HL1 | CL | HL2 | HL3 | 120.0° | 120.0° |
| HZ21 | CZ2 | CE2 | HE21 | 62.3° | 58.4° |
| HZ21 | CZ2 | CE2 | HE22 | 57.2° | 61.6° |
| HZ22 | CZ2 | CE2 | HE21 | 57.4° | 178.4° |
| HZ22 | CZ2 | CE2 | HE22 | 176.9° | 58.4° |
| HE11 | CE1 | CZ1 | HZ11 | 60.0° | 178.5° |
| HE11 | CE1 | CZ1 | HZ12 | 59.7° | 58.4° |
| HE12 | CE1 | CZ1 | HZ11 | 59.7° | 58.4° |
| HE12 | CE1 | CZ1 | HZ12 | 179.4° | 61.7° |
