7WJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CG | CB | sing | 1.53Å | 1.52Å | |
| CG | ND | sing | 1.47Å | 1.45Å | |
| N | CA | sing | 1.47Å | 1.49Å | |
| OE | CE | doub | 1.22Å | 1.22Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| ND | CE | sing | 1.35Å | 1.33Å | |
| CE | CQ | sing | 1.48Å | 1.50Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| CQ | CR2 | doub | 1.40Å | 1.39Å | Aromatic |
| CQ | CR1 | sing | 1.40Å | 1.39Å | Aromatic |
| CR2 | CS2 | sing | 1.39Å | 1.39Å | Aromatic |
| CU4 | CV4 | doub | 1.38Å | 1.39Å | Aromatic |
| CU4 | CT3 | sing | 1.39Å | 1.39Å | Aromatic |
| C | O | doub | 1.21Å | 1.23Å | |
| CV4 | CW2 | sing | 1.39Å | 1.39Å | Aromatic |
| CR1 | CS1 | doub | 1.39Å | 1.39Å | Aromatic |
| CS2 | CT3 | sing | 1.48Å | 1.48Å | |
| CS2 | NT2 | doub | 1.32Å | 1.34Å | Aromatic |
| CT3 | NU3 | doub | 1.33Å | 1.36Å | Aromatic |
| CW2 | CV3 | doub | 1.38Å | 1.39Å | Aromatic |
| CS1 | NT2 | sing | 1.32Å | 1.34Å | Aromatic |
| CS1 | CT1 | sing | 1.48Å | 1.48Å | |
| NU3 | CV3 | sing | 1.32Å | 1.34Å | Aromatic |
| CT1 | CU2 | doub | 1.39Å | 1.39Å | Aromatic |
| CT1 | NU1 | sing | 1.33Å | 1.36Å | Aromatic |
| CU2 | CV2 | sing | 1.39Å | 1.39Å | Aromatic |
| NU1 | CV1 | doub | 1.32Å | 1.34Å | Aromatic |
| CV2 | CW1 | doub | 1.39Å | 1.39Å | Aromatic |
| CV1 | CW1 | sing | 1.38Å | 1.39Å | Aromatic |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| CG | H9 | sing | 1.09Å | 1.10Å | |
| ND | H10 | sing | 0.97Å | 1.00Å | |
| CR1 | H11 | sing | 1.08Å | 1.08Å | |
| CR2 | H12 | sing | 1.08Å | 1.08Å | |
| CU2 | H13 | sing | 1.08Å | 1.08Å | |
| CU4 | H14 | sing | 1.08Å | 1.08Å | |
| CV1 | H15 | sing | 1.08Å | 1.08Å | |
| CV2 | H16 | sing | 1.08Å | 1.08Å | |
| CV3 | H17 | sing | 1.08Å | 1.08Å | |
| CV4 | H18 | sing | 1.08Å | 1.08Å | |
| CW1 | H19 | sing | 1.08Å | 1.08Å | |
| CW2 | H20 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB | CG | ND | 111.1° | 109.5° |
| CG | CB | CA | 110.2° | 109.4° |
| CG | CB | H3 | 109.3° | 109.5° |
| CG | CB | H4 | 109.3° | 109.5° |
| CB | CG | H8 | 109.1° | 109.5° |
| CB | CG | H9 | 109.0° | 109.5° |
| CG | ND | CE | 122.1° | 120.0° |
| ND | CG | H8 | 109.1° | 109.4° |
| ND | CG | H9 | 109.1° | 109.5° |
| CG | ND | H10 | 118.9° | 120.0° |
| N | CA | CB | 109.9° | 109.5° |
| N | CA | C | 111.2° | 109.4° |
| N | CA | HA | 108.7° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| OE | CE | ND | 122.1° | 119.9° |
| OE | CE | CQ | 119.6° | 120.0° |
| CB | CA | C | 110.2° | 109.5° |
| CB | CA | HA | 108.2° | 109.5° |
| CA | CB | H3 | 109.3° | 109.5° |
| CA | CB | H4 | 109.3° | 109.5° |
| ND | CE | CQ | 118.3° | 120.0° |
| CE | ND | H10 | 118.9° | 120.0° |
| CE | CQ | CR2 | 120.2° | 120.8° |
| CE | CQ | CR1 | 119.5° | 120.8° |
| CA | C | O | 121.0° | 120.0° |
| C | CA | HA | 108.6° | 109.4° |
| CA | C | OXT | 115.9° | 120.0° |
| CR2 | CQ | CR1 | 120.3° | 118.4° |
| CQ | CR2 | CS2 | 118.3° | 119.1° |
| CQ | CR2 | H12 | 120.9° | 120.4° |
| CQ | CR1 | CS1 | 118.4° | 119.1° |
| CQ | CR1 | H11 | 120.8° | 120.5° |
| CR2 | CS2 | CT3 | 124.7° | 119.6° |
| CR2 | CS2 | NT2 | 120.2° | 120.8° |
| CS2 | CR2 | H12 | 120.9° | 120.5° |
| CV4 | CU4 | CT3 | 118.8° | 119.0° |
| CU4 | CV4 | CW2 | 119.1° | 118.5° |
| CV4 | CU4 | H14 | 120.6° | 120.5° |
| CU4 | CV4 | H18 | 120.5° | 120.7° |
| CU4 | CT3 | CS2 | 121.9° | 119.7° |
| CU4 | CT3 | NU3 | 121.3° | 120.6° |
| CT3 | CU4 | H14 | 120.6° | 120.4° |
| O | C | OXT | 123.1° | 120.0° |
| CV4 | CW2 | CV3 | 119.9° | 119.4° |
| CW2 | CV4 | H18 | 120.4° | 120.7° |
| CV4 | CW2 | H20 | 120.1° | 120.3° |
| CR1 | CS1 | NT2 | 120.1° | 120.8° |
| CR1 | CS1 | CT1 | 124.8° | 119.6° |
| CS1 | CR1 | H11 | 120.8° | 120.4° |
| CT3 | CS2 | NT2 | 115.1° | 119.6° |
| CS2 | CT3 | NU3 | 116.8° | 119.7° |
| CS2 | NT2 | CS1 | 122.8° | 121.8° |
| CT3 | NU3 | CV3 | 120.5° | 121.6° |
| CW2 | CV3 | NU3 | 120.5° | 120.9° |
| CW2 | CV3 | H17 | 119.8° | 119.6° |
| CV3 | CW2 | H20 | 120.1° | 120.3° |
| NT2 | CS1 | CT1 | 115.1° | 119.6° |
| CS1 | CT1 | CU2 | 122.1° | 119.8° |
| CS1 | CT1 | NU1 | 116.7° | 119.7° |
| NU3 | CV3 | H17 | 119.7° | 119.6° |
| CU2 | CT1 | NU1 | 121.2° | 120.5° |
| CT1 | CU2 | CV2 | 118.7° | 119.1° |
| CT1 | CU2 | H13 | 120.6° | 120.5° |
| CT1 | NU1 | CV1 | 120.7° | 121.6° |
| CU2 | CV2 | CW1 | 119.1° | 118.5° |
| CV2 | CU2 | H13 | 120.6° | 120.5° |
| CU2 | CV2 | H16 | 120.4° | 120.7° |
| NU1 | CV1 | CW1 | 120.3° | 120.9° |
| NU1 | CV1 | H15 | 119.8° | 119.6° |
| CV2 | CW1 | CV1 | 119.9° | 119.3° |
| CW1 | CV2 | H16 | 120.4° | 120.8° |
| CV2 | CW1 | H19 | 120.1° | 120.3° |
| CW1 | CV1 | H15 | 119.9° | 119.5° |
| CV1 | CW1 | H19 | 120.0° | 120.3° |
| H3 | CB | H4 | 109.5° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| H8 | CG | H9 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB | CG | ND | H8 | 120.2° | 120.0° |
| CB | CG | ND | H9 | 120.2° | 120.0° |
| CG | CB | CA | N | 79.4° | 65.0° |
| CG | CB | CA | H3 | 120.1° | 120.0° |
| CG | CB | CA | H4 | 120.1° | 120.0° |
| CB | CG | ND | CE | 106.0° | 180.0° |
| CG | CB | CA | C | 157.7° | 175.0° |
| CG | CB | CA | HA | 39.1° | 55.0° |
| CG | CB | H3 | H4 | 119.7° | 120.0° |
| CB | CG | H8 | H9 | 119.3° | 120.0° |
| CB | CG | ND | H10 | 74.0° | 0.1° |
| CG | ND | CE | OE | 0.3° | 0.1° |
| ND | CG | CB | CA | 70.4° | 180.0° |
| CG | ND | CE | H10 | 180.0° | 179.9° |
| CG | ND | CE | CQ | 179.8° | 180.0° |
| ND | CG | CB | H3 | 49.8° | 60.0° |
| ND | CG | CB | H4 | 169.5° | 60.0° |
| ND | CG | H8 | H9 | 119.3° | 120.0° |
| N | CA | CB | C | 122.9° | 120.0° |
| N | CA | CB | HA | 118.5° | 120.1° |
| N | CA | C | HA | 119.5° | 120.0° |
| N | CA | C | O | 151.7° | 20.1° |
| N | CA | CB | H3 | 160.5° | 55.0° |
| N | CA | CB | H4 | 40.7° | 175.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | OXT | 28.1° | 159.7° |
| OE | CE | ND | CQ | 179.5° | 180.0° |
| OE | CE | CQ | CR2 | 14.7° | 0.0° |
| OE | CE | CQ | CR1 | 165.3° | 179.7° |
| OE | CE | ND | H10 | 179.6° | 180.0° |
| CB | CA | C | HA | 118.4° | 120.0° |
| CB | CA | C | O | 86.2° | 100.0° |
| CA | CB | H3 | H4 | 119.7° | 120.0° |
| CB | CA | N | H | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 59.9° |
| CA | CB | CG | H8 | 49.9° | 60.0° |
| CA | CB | CG | H9 | 169.4° | 60.0° |
| CB | CA | C | OXT | 94.0° | 80.3° |
| ND | CE | CQ | CR2 | 165.8° | 179.9° |
| ND | CE | CQ | CR1 | 14.2° | 0.2° |
| CE | ND | CG | H8 | 14.2° | 60.1° |
| CE | ND | CG | H9 | 133.8° | 59.9° |
| CE | CQ | CR2 | CR1 | 180.0° | 179.7° |
| CE | CQ | CR2 | CS2 | 180.0° | 180.0° |
| CE | CQ | CR1 | CS1 | 180.0° | 180.0° |
| CQ | CE | ND | H10 | 0.1° | 0.1° |
| CE | CQ | CR1 | H11 | 0.0° | 0.0° |
| CE | CQ | CR2 | H12 | 0.0° | 0.0° |
| CA | C | O | OXT | 179.7° | 179.8° |
| C | CA | CB | H3 | 37.6° | 65.0° |
| C | CA | CB | H4 | 82.2° | 55.0° |
| C | CA | N | H | 57.7° | 64.0° |
| C | CA | N | H2 | 62.3° | 60.1° |
| CA | C | OXT | HXT | 179.7° | 179.7° |
| CQ | CR2 | CS2 | H12 | 180.0° | 179.9° |
| CR2 | CQ | CR1 | CS1 | 0.0° | 0.3° |
| CQ | CR2 | CS2 | CT3 | 180.0° | 179.9° |
| CQ | CR2 | CS2 | NT2 | 0.1° | 0.1° |
| CR2 | CQ | CR1 | H11 | 180.0° | 179.7° |
| CR1 | CQ | CR2 | CS2 | 0.0° | 0.3° |
| CQ | CR1 | CS1 | H11 | 180.0° | 180.0° |
| CQ | CR1 | CS1 | NT2 | 0.1° | 0.0° |
| CQ | CR1 | CS1 | CT1 | 180.0° | 180.0° |
| CR1 | CQ | CR2 | H12 | 180.0° | 179.7° |
| CR2 | CS2 | CT3 | CU4 | 0.1° | 179.7° |
| CR2 | CS2 | CT3 | NT2 | 180.0° | 180.0° |
| CR2 | CS2 | CT3 | NU3 | 180.0° | 0.0° |
| CR2 | CS2 | NT2 | CS1 | 0.1° | 0.2° |
| CV4 | CU4 | CT3 | H14 | 180.0° | 179.9° |
| CU4 | CV4 | CW2 | H18 | 180.0° | 180.0° |
| CV4 | CU4 | CT3 | CS2 | 180.0° | 180.0° |
| CV4 | CU4 | CT3 | NU3 | 0.1° | 0.3° |
| CU4 | CV4 | CW2 | CV3 | 0.2° | 0.0° |
| CU4 | CV4 | CW2 | H20 | 179.8° | 180.0° |
| CT3 | CU4 | CV4 | CW2 | 0.1° | 0.0° |
| CU4 | CT3 | CS2 | NU3 | 179.9° | 179.7° |
| CU4 | CT3 | CS2 | NT2 | 179.9° | 0.3° |
| CU4 | CT3 | NU3 | CV3 | 0.2° | 0.7° |
| CT3 | CU4 | CV4 | H18 | 179.9° | 180.0° |
| O | C | CA | HA | 32.2° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| CV4 | CW2 | CV3 | H20 | 180.0° | 180.0° |
| CV4 | CW2 | CV3 | NU3 | 0.3° | 0.3° |
| CW2 | CV4 | CU4 | H14 | 179.9° | 179.9° |
| CV4 | CW2 | CV3 | H17 | 179.7° | 180.0° |
| CR1 | CS1 | NT2 | CS2 | 0.1° | 0.2° |
| CR1 | CS1 | NT2 | CT1 | 180.0° | 179.9° |
| CR1 | CS1 | CT1 | CU2 | 0.0° | 180.0° |
| CR1 | CS1 | CT1 | NU1 | 179.9° | 0.3° |
| CT3 | CS2 | NT2 | CS1 | 179.9° | 179.8° |
| CS2 | CT3 | NU3 | CV3 | 179.9° | 179.7° |
| CT3 | CS2 | CR2 | H12 | 0.0° | 0.0° |
| CS2 | CT3 | CU4 | H14 | 0.0° | 0.1° |
| NT2 | CS2 | CT3 | NU3 | 0.0° | 180.0° |
| CS2 | NT2 | CS1 | CT1 | 179.9° | 179.7° |
| NT2 | CS2 | CR2 | H12 | 179.9° | 180.0° |
| CT3 | NU3 | CV3 | CW2 | 0.3° | 0.7° |
| NU3 | CT3 | CU4 | H14 | 179.9° | 179.7° |
| CT3 | NU3 | CV3 | H17 | 179.7° | 179.7° |
| CW2 | CV3 | NU3 | H17 | 180.0° | 179.6° |
| CV3 | CW2 | CV4 | H18 | 179.8° | 180.0° |
| NT2 | CS1 | CT1 | CU2 | 179.9° | 0.1° |
| NT2 | CS1 | CT1 | NU1 | 0.2° | 179.8° |
| NT2 | CS1 | CR1 | H11 | 180.0° | 180.0° |
| CS1 | CT1 | CU2 | NU1 | 179.9° | 179.7° |
| CS1 | CT1 | CU2 | CV2 | 180.0° | 180.0° |
| CS1 | CT1 | NU1 | CV1 | 179.8° | 179.8° |
| CT1 | CS1 | CR1 | H11 | 0.0° | 0.0° |
| CS1 | CT1 | CU2 | H13 | 0.0° | 0.0° |
| NU3 | CV3 | CW2 | H20 | 179.7° | 179.7° |
| CT1 | CU2 | CV2 | H13 | 180.0° | 180.0° |
| CU2 | CT1 | NU1 | CV1 | 0.3° | 0.5° |
| CT1 | CU2 | CV2 | CW1 | 0.1° | 0.0° |
| CT1 | CU2 | CV2 | H16 | 179.9° | 180.0° |
| NU1 | CT1 | CU2 | CV2 | 0.1° | 0.3° |
| CT1 | NU1 | CV1 | CW1 | 0.3° | 0.6° |
| NU1 | CT1 | CU2 | H13 | 179.9° | 179.7° |
| CT1 | NU1 | CV1 | H15 | 179.7° | 179.8° |
| CU2 | CV2 | CW1 | H16 | 180.0° | 180.0° |
| CU2 | CV2 | CW1 | CV1 | 0.1° | 0.0° |
| CU2 | CV2 | CW1 | H19 | 180.0° | 179.8° |
| NU1 | CV1 | CW1 | CV2 | 0.1° | 0.3° |
| NU1 | CV1 | CW1 | H15 | 180.0° | 179.7° |
| NU1 | CV1 | CW1 | H19 | 179.9° | 180.0° |
| CV2 | CW1 | CV1 | H19 | 180.0° | 179.8° |
| CW1 | CV2 | CU2 | H13 | 179.9° | 180.0° |
| CV2 | CW1 | CV1 | H15 | 179.9° | 180.0° |
| CV1 | CW1 | CV2 | H16 | 179.9° | 180.0° |
| HA | CA | CB | H3 | 81.0° | 175.0° |
| HA | CA | CB | H4 | 159.2° | 64.9° |
| HA | CA | N | H | 61.7° | 56.0° |
| HA | CA | N | H2 | 178.3° | 180.0° |
| HA | CA | C | OXT | 147.6° | 39.8° |
| H3 | CB | CG | H8 | 170.0° | 180.0° |
| H3 | CB | CG | H9 | 70.5° | 60.0° |
| H4 | CB | CG | H8 | 70.2° | 60.0° |
| H4 | CB | CG | H9 | 49.3° | 180.0° |
| H8 | CG | ND | H10 | 165.8° | 120.0° |
| H9 | CG | ND | H10 | 46.2° | 120.0° |
| H13 | CU2 | CV2 | H16 | 0.1° | 0.0° |
| H14 | CU4 | CV4 | H18 | 0.1° | 0.0° |
| H15 | CV1 | CW1 | H19 | 0.1° | 0.3° |
| H16 | CV2 | CW1 | H19 | 0.1° | 0.2° |
| H17 | CV3 | CW2 | H20 | 0.3° | 0.1° |
| H18 | CV4 | CW2 | H20 | 0.2° | 0.0° |
