823
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.54Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| OD2 | CG | doub | 1.21Å | 1.20Å | |
| CG | ND | sing | 1.35Å | 1.39Å | |
| ND | CE | sing | 1.47Å | 1.47Å | |
| ND | CE2 | sing | 1.47Å | 1.47Å | |
| CE | CZ | sing | 1.53Å | 1.54Å | |
| ST | CH | sing | 1.81Å | 1.83Å | |
| CZ | CH | sing | 1.53Å | 1.52Å | |
| CE2 | CZ2 | sing | 1.53Å | 1.53Å | |
| CZ2 | CH2 | sing | 1.53Å | 1.52Å | |
| ST2 | CH2 | sing | 1.81Å | 1.83Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CE | H8 | sing | 1.09Å | 1.10Å | |
| CE | H9 | sing | 1.09Å | 1.10Å | |
| CE2 | H10 | sing | 1.09Å | 1.10Å | |
| CE2 | H11 | sing | 1.09Å | 1.10Å | |
| CZ2 | H12 | sing | 1.09Å | 1.10Å | |
| CZ2 | H13 | sing | 1.09Å | 1.10Å | |
| CH2 | H14 | sing | 1.09Å | 1.10Å | |
| CH2 | H15 | sing | 1.09Å | 1.10Å | |
| ST2 | H16 | sing | 1.34Å | 1.30Å | |
| CZ | H17 | sing | 1.09Å | 1.10Å | |
| CZ | H18 | sing | 1.09Å | 1.10Å | |
| CH | H19 | sing | 1.09Å | 1.10Å | |
| CH | H20 | sing | 1.09Å | 1.10Å | |
| ST | H21 | sing | 1.34Å | 1.30Å | |
| C | OXT | sing | 1.34Å | 22.16Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 122.1° | 120.0° |
| C | CA | N | 111.2° | 109.5° |
| C | CA | CB | 115.6° | 109.4° |
| C | CA | HA | 105.2° | 109.5° |
| CA | C | OXT | 117.3° | 120.0° |
| O | C | OXT | 26.2° | 120.0° |
| N | CA | CB | 112.6° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | HA | 106.1° | 109.5° |
| CA | CB | CG | 114.2° | 109.5° |
| CB | CA | HA | 105.3° | 109.5° |
| CA | CB | H6 | 108.3° | 109.5° |
| CA | CB | H7 | 108.3° | 109.5° |
| CB | CG | OD2 | 112.4° | 120.0° |
| CB | CG | ND | 126.3° | 120.0° |
| CG | CB | H6 | 108.3° | 109.5° |
| CG | CB | H7 | 108.3° | 109.5° |
| OD2 | CG | ND | 121.2° | 120.0° |
| CG | ND | CE | 122.8° | 120.0° |
| CG | ND | CE2 | 123.5° | 120.0° |
| CE | ND | CE2 | 113.6° | 120.0° |
| ND | CE | CZ | 117.6° | 109.5° |
| ND | CE | H8 | 107.4° | 109.4° |
| ND | CE | H9 | 107.4° | 109.5° |
| ND | CE2 | CZ2 | 111.6° | 109.5° |
| ND | CE2 | H10 | 109.0° | 109.5° |
| ND | CE2 | H11 | 108.9° | 109.5° |
| CE | CZ | CH | 109.1° | 109.4° |
| CZ | CE | H8 | 107.4° | 109.5° |
| CZ | CE | H9 | 107.4° | 109.5° |
| CE | CZ | H17 | 109.6° | 109.5° |
| CE | CZ | H18 | 109.6° | 109.5° |
| ST | CH | CZ | 115.9° | 109.5° |
| ST | CH | H19 | 107.8° | 109.5° |
| ST | CH | H20 | 107.8° | 109.4° |
| CH | ST | H21 | 102.0° | 103.0° |
| CH | CZ | H17 | 109.6° | 109.5° |
| CH | CZ | H18 | 109.6° | 109.5° |
| CZ | CH | H19 | 107.9° | 109.5° |
| CZ | CH | H20 | 107.9° | 109.5° |
| CE2 | CZ2 | CH2 | 111.1° | 109.5° |
| CZ2 | CE2 | H10 | 108.9° | 109.5° |
| CZ2 | CE2 | H11 | 108.9° | 109.5° |
| CE2 | CZ2 | H12 | 109.0° | 109.5° |
| CE2 | CZ2 | H13 | 109.1° | 109.5° |
| CZ2 | CH2 | ST2 | 116.2° | 109.5° |
| CH2 | CZ2 | H12 | 109.1° | 109.5° |
| CH2 | CZ2 | H13 | 109.0° | 109.5° |
| CZ2 | CH2 | H14 | 107.8° | 109.4° |
| CZ2 | CH2 | H15 | 107.8° | 109.5° |
| ST2 | CH2 | H14 | 107.8° | 109.4° |
| ST2 | CH2 | H15 | 107.8° | 109.5° |
| CH2 | ST2 | H16 | 102.0° | 103.0° |
| H2 | N | H | 109.4° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H8 | CE | H9 | 109.5° | 109.5° |
| H10 | CE2 | H11 | 109.4° | 109.5° |
| H12 | CZ2 | H13 | 109.5° | 109.5° |
| H14 | CH2 | H15 | 109.5° | 109.5° |
| H17 | CZ | H18 | 109.4° | 109.5° |
| H19 | CH | H20 | 109.5° | 109.5° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 87.1° | 179.7° |
| C | CA | N | CB | 131.5° | 119.9° |
| C | CA | N | HA | 113.8° | 120.0° |
| C | CA | CB | HA | 115.6° | 120.0° |
| C | CA | CB | CG | 61.3° | 175.0° |
| C | CA | N | H2 | 180.0° | 64.0° |
| C | CA | N | H | 60.0° | 59.9° |
| C | CA | CB | H6 | 59.4° | 65.0° |
| C | CA | CB | H7 | 178.0° | 55.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| O | C | CA | N | 31.0° | 20.0° |
| O | C | CA | CB | 98.9° | 100.0° |
| O | C | CA | HA | 145.5° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.3° |
| N | CA | CB | HA | 115.2° | 120.1° |
| N | CA | CB | CG | 67.9° | 65.0° |
| CA | N | H2 | H | 120.0° | 123.9° |
| N | CA | CB | H6 | 171.3° | 55.0° |
| N | CA | CB | H7 | 52.8° | 175.0° |
| N | CA | C | OXT | 60.7° | 159.7° |
| CA | CB | CG | H6 | 120.7° | 120.0° |
| CA | CB | CG | H7 | 120.7° | 120.0° |
| CA | CB | CG | OD2 | 54.7° | 0.0° |
| CA | CB | CG | ND | 126.3° | 180.0° |
| CB | CA | N | H2 | 48.5° | 176.1° |
| CB | CA | N | H | 168.5° | 60.0° |
| CA | CB | H6 | H7 | 117.8° | 120.0° |
| CB | CA | C | OXT | 69.2° | 80.3° |
| CB | CG | OD2 | ND | 179.1° | 180.0° |
| CB | CG | ND | CE | 0.8° | 180.0° |
| CB | CG | ND | CE2 | 178.5° | 0.0° |
| CG | CB | CA | HA | 176.9° | 55.0° |
| CG | CB | H6 | H7 | 117.9° | 120.0° |
| OD2 | CG | ND | CE | 178.1° | 0.0° |
| OD2 | CG | ND | CE2 | 0.5° | 180.0° |
| OD2 | CG | CB | H6 | 66.0° | 120.0° |
| OD2 | CG | CB | H7 | 175.4° | 120.0° |
| CG | ND | CE | CE2 | 177.9° | 180.0° |
| CG | ND | CE | CZ | 116.3° | 90.0° |
| CG | ND | CE2 | CZ2 | 64.2° | 90.0° |
| ND | CG | CB | H6 | 113.0° | 60.0° |
| ND | CG | CB | H7 | 5.6° | 60.0° |
| CG | ND | CE | H8 | 122.6° | 150.0° |
| CG | ND | CE | H9 | 4.9° | 30.0° |
| CG | ND | CE2 | H10 | 175.5° | 150.0° |
| CG | ND | CE2 | H11 | 56.1° | 30.0° |
| ND | CE | CZ | H8 | 121.2° | 120.0° |
| ND | CE | CZ | H9 | 121.1° | 120.0° |
| ND | CE | CZ | CH | 161.8° | 180.0° |
| CE | ND | CE2 | CZ2 | 113.7° | 90.0° |
| ND | CE | H8 | H9 | 116.3° | 120.0° |
| CE | ND | CE2 | H10 | 6.6° | 30.0° |
| CE | ND | CE2 | H11 | 126.0° | 150.0° |
| ND | CE | CZ | H17 | 78.2° | 60.0° |
| ND | CE | CZ | H18 | 41.8° | 60.0° |
| CE2 | ND | CE | CZ | 65.8° | 90.0° |
| ND | CE2 | CZ2 | H10 | 120.3° | 120.0° |
| ND | CE2 | CZ2 | H11 | 120.3° | 120.0° |
| ND | CE2 | CZ2 | CH2 | 176.9° | 180.0° |
| CE2 | ND | CE | H8 | 55.3° | 30.0° |
| CE2 | ND | CE | H9 | 173.0° | 150.0° |
| ND | CE2 | H10 | H11 | 119.0° | 120.0° |
| ND | CE2 | CZ2 | H12 | 56.6° | 60.0° |
| ND | CE2 | CZ2 | H13 | 62.9° | 60.0° |
| CE | CZ | CH | ST | 62.8° | 180.0° |
| CE | CZ | CH | H17 | 120.0° | 120.0° |
| CE | CZ | CH | H18 | 120.0° | 120.0° |
| CZ | CE | H8 | H9 | 116.3° | 120.0° |
| CE | CZ | H17 | H18 | 120.1° | 120.0° |
| CE | CZ | CH | H19 | 58.2° | 60.0° |
| CE | CZ | CH | H20 | 176.3° | 60.0° |
| ST | CH | CZ | H19 | 120.9° | 120.0° |
| ST | CH | CZ | H20 | 120.9° | 120.0° |
| ST | CH | CZ | H17 | 57.2° | 60.0° |
| ST | CH | CZ | H18 | 177.3° | 60.0° |
| ST | CH | H19 | H20 | 117.1° | 120.0° |
| CH | CZ | CE | H8 | 40.7° | 60.0° |
| CH | CZ | CE | H9 | 77.0° | 60.0° |
| CH | CZ | H17 | H18 | 120.2° | 120.0° |
| CZ | CH | H19 | H20 | 117.1° | 120.0° |
| CZ | CH | ST | H21 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | H12 | 120.2° | 120.0° |
| CE2 | CZ2 | CH2 | H13 | 120.2° | 120.0° |
| CE2 | CZ2 | CH2 | ST2 | 69.0° | 180.0° |
| CZ2 | CE2 | H10 | H11 | 119.0° | 120.0° |
| CE2 | CZ2 | H12 | H13 | 119.2° | 120.0° |
| CE2 | CZ2 | CH2 | H14 | 170.0° | 60.1° |
| CE2 | CZ2 | CH2 | H15 | 51.9° | 60.0° |
| CZ2 | CH2 | ST2 | H14 | 121.0° | 119.9° |
| CZ2 | CH2 | ST2 | H15 | 121.0° | 120.0° |
| CH2 | CZ2 | CE2 | H10 | 62.7° | 60.0° |
| CH2 | CZ2 | CE2 | H11 | 56.6° | 60.0° |
| CH2 | CZ2 | H12 | H13 | 119.2° | 120.0° |
| CZ2 | CH2 | H14 | H15 | 116.9° | 120.0° |
| CZ2 | CH2 | ST2 | H16 | 180.0° | 180.0° |
| ST2 | CH2 | CZ2 | H12 | 51.2° | 60.0° |
| ST2 | CH2 | CZ2 | H13 | 170.7° | 60.0° |
| ST2 | CH2 | H14 | H15 | 117.0° | 120.0° |
| H2 | N | CA | HA | 66.1° | 56.0° |
| H | N | CA | HA | 53.8° | 180.0° |
| HA | CA | CB | H6 | 56.2° | 175.0° |
| HA | CA | CB | H7 | 62.4° | 65.0° |
| HA | CA | C | OXT | 175.2° | 39.7° |
| H8 | CE | CZ | H17 | 160.6° | 180.0° |
| H8 | CE | CZ | H18 | 79.3° | 60.0° |
| H9 | CE | CZ | H17 | 42.9° | 60.0° |
| H9 | CE | CZ | H18 | 163.0° | 180.0° |
| H10 | CE2 | CZ2 | H12 | 177.0° | 180.0° |
| H10 | CE2 | CZ2 | H13 | 57.5° | 60.0° |
| H11 | CE2 | CZ2 | H12 | 63.7° | 60.0° |
| H11 | CE2 | CZ2 | H13 | 176.8° | 180.0° |
| H12 | CZ2 | CH2 | H14 | 69.8° | 180.0° |
| H12 | CZ2 | CH2 | H15 | 172.2° | 60.0° |
| H13 | CZ2 | CH2 | H14 | 49.7° | 59.9° |
| H13 | CZ2 | CH2 | H15 | 68.3° | 180.0° |
| H14 | CH2 | ST2 | H16 | 59.0° | 60.1° |
| H15 | CH2 | ST2 | H16 | 59.0° | 60.0° |
| H17 | CZ | CH | H19 | 178.1° | 180.0° |
| H17 | CZ | CH | H20 | 63.7° | 60.0° |
| H18 | CZ | CH | H19 | 61.8° | 60.0° |
| H18 | CZ | CH | H20 | 56.3° | 180.0° |
| H19 | CH | ST | H21 | 59.1° | 60.0° |
| H20 | CH | ST | H21 | 59.0° | 60.0° |
