GUE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OX2 | C | doub | 1.21Å | 1.25Å | |
| C | OX1 | sing | 1.34Å | 1.26Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| O11 | C11 | doub | 1.22Å | 1.22Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| C11 | N | sing | 1.35Å | 1.34Å | |
| C11 | C1' | sing | 1.48Å | 1.51Å | |
| C2' | C1' | doub | 1.40Å | 1.40Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.40Å | Aromatic |
| C1' | C6' | sing | 1.40Å | 1.39Å | Aromatic |
| O4 | C4 | doub | 1.22Å | 1.25Å | |
| CG | CD | sing | 1.51Å | 1.52Å | |
| C3' | C4' | doub | 1.39Å | 1.40Å | Aromatic |
| OE2 | CD | doub | 1.21Å | 1.26Å | |
| C6' | C5' | doub | 1.38Å | 1.39Å | Aromatic |
| CD | OE1 | sing | 1.34Å | 1.26Å | |
| C4 | N3 | sing | 1.34Å | 1.32Å | |
| C4 | C4A | sing | 1.41Å | 1.48Å | |
| C4' | C5' | sing | 1.39Å | 1.40Å | Aromatic |
| C4' | N10 | sing | 1.39Å | 1.42Å | |
| N3 | C2 | doub | 1.31Å | 1.34Å | |
| C1 | N10 | sing | 1.37Å | 1.28Å | |
| C1 | N5 | doub | 1.28Å | 1.28Å | |
| N10 | C9 | sing | 1.50Å | 1.46Å | |
| C4A | N5 | sing | 1.37Å | 1.40Å | |
| C4A | C8A | doub | 1.39Å | 1.46Å | |
| N5 | C6 | sing | 1.48Å | 1.46Å | |
| C2 | N2 | sing | 1.37Å | 1.36Å | |
| C2 | N1 | sing | 1.36Å | 1.36Å | |
| C9 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C8A | N1 | sing | 1.37Å | 1.34Å | |
| C8A | N8 | sing | 1.38Å | 1.36Å | |
| C7 | N8 | sing | 1.47Å | 1.46Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C2' | H2 | sing | 1.08Å | 1.08Å | |
| C3' | H3 | sing | 1.08Å | 1.08Å | |
| C5' | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| N8 | H9 | sing | 0.97Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C6' | H14 | sing | 1.08Å | 1.08Å | |
| N | H15 | sing | 0.97Å | 1.00Å | |
| CA | H16 | sing | 1.09Å | 1.10Å | |
| OX1 | H17 | sing | 0.97Å | 0.95Å | |
| CB | H18 | sing | 1.09Å | 1.10Å | |
| CB | H19 | sing | 1.09Å | 1.10Å | |
| CG | H20 | sing | 1.09Å | 1.10Å | |
| CG | H21 | sing | 1.09Å | 1.10Å | |
| OE1 | H22 | sing | 0.97Å | 0.95Å | |
| C1 | H23 | sing | 1.08Å | 1.08Å | |
| N1 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OX2 | C | OX1 | 121.2° | 120.0° |
| OX2 | C | CA | 119.5° | 120.0° |
| OX1 | C | CA | 119.3° | 120.0° |
| C | OX1 | H17 | 109.5° | 117.1° |
| C | CA | CB | 111.3° | 109.5° |
| C | CA | N | 111.8° | 109.5° |
| C | CA | H16 | 107.0° | 109.5° |
| CB | CA | N | 111.8° | 109.5° |
| CA | CB | CG | 113.9° | 109.5° |
| CB | CA | H16 | 106.9° | 109.5° |
| CA | CB | H18 | 108.4° | 109.5° |
| CA | CB | H19 | 108.4° | 109.4° |
| CA | N | C11 | 122.5° | 120.0° |
| CA | N | H15 | 118.7° | 120.0° |
| N | CA | H16 | 107.7° | 109.4° |
| O11 | C11 | N | 120.8° | 120.0° |
| O11 | C11 | C1' | 120.5° | 120.0° |
| CB | CG | CD | 113.0° | 109.5° |
| CG | CB | H18 | 108.3° | 109.5° |
| CG | CB | H19 | 108.4° | 109.4° |
| CB | CG | H20 | 108.6° | 109.5° |
| CB | CG | H21 | 108.6° | 109.4° |
| N | C11 | C1' | 118.6° | 120.0° |
| C11 | N | H15 | 118.7° | 120.0° |
| C11 | C1' | C2' | 120.9° | 120.1° |
| C11 | C1' | C6' | 119.9° | 120.0° |
| C1' | C2' | C3' | 120.3° | 119.9° |
| C2' | C1' | C6' | 119.2° | 119.9° |
| C1' | C2' | H2 | 119.9° | 120.0° |
| C2' | C3' | C4' | 120.6° | 120.1° |
| C3' | C2' | H2 | 119.8° | 120.1° |
| C2' | C3' | H3 | 119.7° | 119.9° |
| C1' | C6' | C5' | 120.9° | 119.9° |
| C1' | C6' | H14 | 119.6° | 120.1° |
| O4 | C4 | N3 | 119.9° | 120.5° |
| O4 | C4 | C4A | 123.2° | 120.5° |
| CG | CD | OE2 | 118.8° | 120.0° |
| CG | CD | OE1 | 117.9° | 120.0° |
| CD | CG | H20 | 108.6° | 109.5° |
| CD | CG | H21 | 108.6° | 109.5° |
| C3' | C4' | C5' | 118.6° | 120.1° |
| C3' | C4' | N10 | 122.5° | 119.9° |
| C4' | C3' | H3 | 119.7° | 120.0° |
| OE2 | CD | OE1 | 123.2° | 120.0° |
| C6' | C5' | C4' | 120.5° | 120.1° |
| C6' | C5' | H4 | 119.7° | 119.9° |
| C5' | C6' | H14 | 119.5° | 120.0° |
| CD | OE1 | H22 | 109.5° | 117.0° |
| N3 | C4 | C4A | 116.9° | 119.0° |
| C4 | N3 | C2 | 123.4° | 121.1° |
| C4 | C4A | N5 | 127.6° | 122.9° |
| C4 | C4A | C8A | 117.6° | 119.5° |
| C5' | C4' | N10 | 118.8° | 119.9° |
| C4' | C5' | H4 | 119.8° | 120.0° |
| C4' | N10 | C1 | 124.9° | 125.7° |
| C4' | N10 | C9 | 121.8° | 125.9° |
| N3 | C2 | N2 | 119.9° | 119.0° |
| N3 | C2 | N1 | 123.1° | 122.1° |
| N10 | C1 | N5 | 110.0° | 114.4° |
| C1 | N10 | C9 | 113.1° | 108.4° |
| N10 | C1 | H23 | 125.0° | 122.8° |
| C1 | N5 | C4A | 126.3° | 130.2° |
| C1 | N5 | C6 | 114.5° | 109.6° |
| N5 | C1 | H23 | 125.0° | 122.8° |
| N10 | C9 | C6 | 101.5° | 102.1° |
| N10 | C9 | H12 | 111.5° | 110.9° |
| N10 | C9 | H13 | 111.4° | 111.5° |
| N5 | C4A | C8A | 114.6° | 117.6° |
| C4A | N5 | C6 | 118.9° | 120.1° |
| C4A | C8A | N1 | 119.2° | 118.3° |
| C4A | C8A | N8 | 120.1° | 120.7° |
| N5 | C6 | C9 | 100.2° | 104.6° |
| N5 | C6 | C7 | 103.2° | 106.2° |
| N5 | C6 | H1 | 116.3° | 111.2° |
| N2 | C2 | N1 | 117.0° | 118.9° |
| C2 | N2 | H10 | 120.0° | 120.0° |
| C2 | N2 | H11 | 120.0° | 120.0° |
| C2 | N1 | C8A | 119.8° | 120.0° |
| C2 | N1 | H25 | 120.1° | 120.0° |
| C9 | C6 | C7 | 105.4° | 112.2° |
| C9 | C6 | H1 | 114.8° | 111.2° |
| C6 | C9 | H12 | 111.4° | 110.7° |
| C6 | C9 | H13 | 111.4° | 110.7° |
| C6 | C7 | N8 | 112.6° | 107.7° |
| C7 | C6 | H1 | 115.1° | 111.1° |
| C6 | C7 | H7 | 108.7° | 109.8° |
| C6 | C7 | H8 | 108.7° | 109.9° |
| N1 | C8A | N8 | 120.8° | 121.0° |
| C8A | N1 | H25 | 120.1° | 120.0° |
| C8A | N8 | C7 | 120.8° | 120.7° |
| C8A | N8 | H9 | 106.6° | 119.6° |
| N8 | C7 | H7 | 108.7° | 109.8° |
| N8 | C7 | H8 | 108.7° | 109.7° |
| C7 | N8 | H9 | 106.6° | 119.7° |
| H7 | C7 | H8 | 109.5° | 109.9° |
| H10 | N2 | H11 | 120.0° | 120.0° |
| H12 | C9 | H13 | 109.5° | 110.6° |
| H18 | CB | H19 | 109.5° | 109.5° |
| H20 | CG | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OX2 | C | OX1 | CA | 179.5° | 179.9° |
| OX2 | C | CA | CB | 81.7° | 119.9° |
| OX2 | C | CA | N | 152.4° | 0.1° |
| OX2 | C | CA | H16 | 34.7° | 120.0° |
| OX2 | C | OX1 | H17 | 0.0° | 0.0° |
| OX1 | C | CA | CB | 98.8° | 60.0° |
| OX1 | C | CA | N | 27.1° | 180.0° |
| OX1 | C | CA | H16 | 144.8° | 60.1° |
| C | CA | CB | N | 125.9° | 120.0° |
| C | CA | CB | H16 | 116.6° | 120.0° |
| C | CA | N | H16 | 117.3° | 120.0° |
| C | CA | CB | CG | 127.2° | 174.9° |
| C | CA | N | C11 | 123.8° | 84.9° |
| C | CA | N | H15 | 56.2° | 95.0° |
| CA | C | OX1 | H17 | 179.5° | 179.9° |
| C | CA | CB | H18 | 6.6° | 65.0° |
| C | CA | CB | H19 | 112.1° | 55.0° |
| CB | CA | N | H16 | 117.1° | 120.0° |
| CA | CB | CG | H18 | 120.6° | 120.0° |
| CA | CB | CG | H19 | 120.6° | 120.0° |
| CB | CA | N | C11 | 110.6° | 155.0° |
| CA | CB | CG | CD | 174.3° | 180.0° |
| CB | CA | N | H15 | 69.4° | 25.0° |
| CA | CB | H18 | H19 | 118.0° | 120.0° |
| CA | CB | CG | H20 | 65.2° | 60.0° |
| CA | CB | CG | H21 | 53.8° | 60.0° |
| CA | N | C11 | O11 | 6.9° | 0.1° |
| N | CA | CB | CG | 1.4° | 65.0° |
| CA | N | C11 | H15 | 180.0° | 180.0° |
| CA | N | C11 | C1' | 171.7° | 180.0° |
| N | CA | CB | H18 | 119.3° | 55.0° |
| N | CA | CB | H19 | 122.0° | 175.0° |
| O11 | C11 | N | C1' | 178.6° | 179.9° |
| O11 | C11 | C1' | C2' | 18.6° | 179.7° |
| O11 | C11 | C1' | C6' | 163.0° | 0.1° |
| O11 | C11 | N | H15 | 173.1° | 180.0° |
| CB | CG | CD | H20 | 120.5° | 120.0° |
| CB | CG | CD | H21 | 120.5° | 119.9° |
| CB | CG | CD | OE2 | 46.5° | 0.0° |
| CB | CG | CD | OE1 | 134.4° | 180.0° |
| CG | CB | CA | H16 | 116.2° | 54.9° |
| CG | CB | H18 | H19 | 118.0° | 120.0° |
| CB | CG | H20 | H21 | 118.4° | 120.0° |
| N | C11 | C1' | C2' | 160.0° | 0.2° |
| N | C11 | C1' | C6' | 18.4° | 180.0° |
| C11 | N | CA | H16 | 6.5° | 35.0° |
| C11 | C1' | C2' | C6' | 178.4° | 179.8° |
| C11 | C1' | C2' | C3' | 180.0° | 179.7° |
| C11 | C1' | C6' | C5' | 179.2° | 179.8° |
| C11 | C1' | C2' | H2 | 0.0° | 0.2° |
| C11 | C1' | C6' | H14 | 0.8° | 0.2° |
| C1' | C11 | N | H15 | 8.3° | 0.1° |
| C1' | C2' | C3' | H2 | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 1.1° | 0.0° |
| C2' | C1' | C6' | C5' | 0.7° | 0.0° |
| C1' | C2' | C3' | H3 | 178.9° | 179.9° |
| C2' | C1' | C6' | H14 | 179.3° | 180.0° |
| C3' | C2' | C1' | C6' | 1.6° | 0.0° |
| C2' | C3' | C4' | H3 | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 0.2° | 0.0° |
| C2' | C3' | C4' | N10 | 176.2° | 179.9° |
| C1' | C6' | C5' | H14 | 180.0° | 180.0° |
| C1' | C6' | C5' | C4' | 0.6° | 0.0° |
| C6' | C1' | C2' | H2 | 178.4° | 180.0° |
| C1' | C6' | C5' | H4 | 179.4° | 180.0° |
| O4 | C4 | N3 | C4A | 178.4° | 180.0° |
| O4 | C4 | N3 | C2 | 179.1° | 179.9° |
| O4 | C4 | C4A | N5 | 5.0° | 0.9° |
| O4 | C4 | C4A | C8A | 179.7° | 179.8° |
| CG | CD | OE2 | OE1 | 179.1° | 180.0° |
| CD | CG | CB | H18 | 53.7° | 60.0° |
| CD | CG | CB | H19 | 65.0° | 60.0° |
| CD | CG | H20 | H21 | 118.4° | 120.0° |
| CG | CD | OE1 | H22 | 179.1° | 180.0° |
| C3' | C4' | C5' | C6' | 1.1° | 0.0° |
| C3' | C4' | C5' | N10 | 176.1° | 179.9° |
| C3' | C4' | N10 | C1 | 22.9° | 0.9° |
| C3' | C4' | N10 | C9 | 162.3° | 180.0° |
| C4' | C3' | C2' | H2 | 178.9° | 180.0° |
| C3' | C4' | C5' | H4 | 178.9° | 180.0° |
| OE2 | CD | CG | H20 | 167.0° | 120.0° |
| OE2 | CD | CG | H21 | 74.1° | 120.0° |
| OE2 | CD | OE1 | H22 | 0.0° | 0.0° |
| C6' | C5' | C4' | H4 | 180.0° | 179.9° |
| C6' | C5' | C4' | N10 | 177.2° | 180.0° |
| OE1 | CD | CG | H20 | 13.8° | 60.0° |
| OE1 | CD | CG | H21 | 105.1° | 60.0° |
| N3 | C4 | C4A | N5 | 176.6° | 179.1° |
| N3 | C4 | C4A | C8A | 1.4° | 0.2° |
| C4 | N3 | C2 | N2 | 179.0° | 179.8° |
| C4 | N3 | C2 | N1 | 0.8° | 0.2° |
| C4A | C4 | N3 | C2 | 0.7° | 0.1° |
| C4 | C4A | N5 | C1 | 38.4° | 24.4° |
| C4 | C4A | N5 | C8A | 175.4° | 179.3° |
| C4 | C4A | N5 | C6 | 148.4° | 157.1° |
| C4 | C4A | C8A | N1 | 0.6° | 0.3° |
| C4 | C4A | C8A | N8 | 179.4° | 178.6° |
| C5' | C4' | N10 | C1 | 153.1° | 179.2° |
| C5' | C4' | N10 | C9 | 21.8° | 0.1° |
| C5' | C4' | C3' | H3 | 179.8° | 180.0° |
| C4' | C5' | C6' | H14 | 179.4° | 180.0° |
| C4' | N10 | C1 | C9 | 175.3° | 179.2° |
| C4' | N10 | C1 | N5 | 168.4° | 178.8° |
| C4' | N10 | C9 | C6 | 166.0° | 173.4° |
| N10 | C4' | C3' | H3 | 3.8° | 0.1° |
| N10 | C4' | C5' | H4 | 2.8° | 0.1° |
| C4' | N10 | C9 | H12 | 47.4° | 68.6° |
| C4' | N10 | C9 | H13 | 75.3° | 55.2° |
| C4' | N10 | C1 | H23 | 11.6° | 1.2° |
| N3 | C2 | N2 | N1 | 178.3° | 180.0° |
| N3 | C2 | N1 | C8A | 1.7° | 0.1° |
| N3 | C2 | N2 | H10 | 0.0° | 180.0° |
| N3 | C2 | N2 | H11 | 180.0° | 0.0° |
| N3 | C2 | N1 | H25 | 178.3° | 179.8° |
| N10 | C1 | N5 | H23 | 180.0° | 180.0° |
| N10 | C1 | N5 | C4A | 174.3° | 173.1° |
| N10 | C1 | N5 | C6 | 0.8° | 5.6° |
| C1 | N10 | C9 | C6 | 9.4° | 5.8° |
| C1 | N10 | C9 | H12 | 128.1° | 112.2° |
| C1 | N10 | C9 | H13 | 109.3° | 124.0° |
| N5 | C1 | N10 | C9 | 6.8° | 0.4° |
| C1 | N5 | C4A | C6 | 173.2° | 178.5° |
| C1 | N5 | C4A | C8A | 137.0° | 155.0° |
| C1 | N5 | C6 | C9 | 4.9° | 8.9° |
| C1 | N5 | C6 | C7 | 113.5° | 127.8° |
| C1 | N5 | C6 | H1 | 119.4° | 111.2° |
| N10 | C9 | C6 | N5 | 7.7° | 8.4° |
| N10 | C9 | C6 | H12 | 118.7° | 118.1° |
| N10 | C9 | C6 | H13 | 118.7° | 118.8° |
| N10 | C9 | C6 | C7 | 114.6° | 123.1° |
| N10 | C9 | C6 | H1 | 117.7° | 111.7° |
| N10 | C9 | H12 | H13 | 123.7° | 124.3° |
| C9 | N10 | C1 | H23 | 173.2° | 179.6° |
| C4A | N5 | C6 | C9 | 169.1° | 169.9° |
| C4A | N5 | C6 | C7 | 60.5° | 51.0° |
| N5 | C4A | C8A | N1 | 176.4° | 179.1° |
| N5 | C4A | C8A | N8 | 3.6° | 2.0° |
| C4A | N5 | C6 | H1 | 66.5° | 70.0° |
| C4A | N5 | C1 | H23 | 5.7° | 7.0° |
| C8A | C4A | N5 | C6 | 36.3° | 23.5° |
| C4A | C8A | N1 | C2 | 0.9° | 0.2° |
| C4A | C8A | N1 | N8 | 180.0° | 178.9° |
| C4A | C8A | N8 | C7 | 2.3° | 13.2° |
| C4A | C8A | N8 | H9 | 123.9° | 166.6° |
| C4A | C8A | N1 | H25 | 179.1° | 179.6° |
| N5 | C6 | C9 | C7 | 106.9° | 114.7° |
| N5 | C6 | C9 | H1 | 125.4° | 120.1° |
| N5 | C6 | C7 | H1 | 127.8° | 121.0° |
| N5 | C6 | C7 | N8 | 54.4° | 55.4° |
| N5 | C6 | C7 | H7 | 174.8° | 174.9° |
| N5 | C6 | C7 | H8 | 66.1° | 64.1° |
| N5 | C6 | C9 | H12 | 126.4° | 109.7° |
| N5 | C6 | C9 | H13 | 111.0° | 127.2° |
| C6 | N5 | C1 | H23 | 179.2° | 174.4° |
| N2 | C2 | N1 | C8A | 179.9° | 179.9° |
| C2 | N2 | H10 | H11 | 180.0° | 180.0° |
| N2 | C2 | N1 | H25 | 0.1° | 0.2° |
| C2 | N1 | C8A | H25 | 180.0° | 179.7° |
| C2 | N1 | C8A | N8 | 179.1° | 178.8° |
| N1 | C2 | N2 | H10 | 178.3° | 0.0° |
| N1 | C2 | N2 | H11 | 1.7° | 180.0° |
| C9 | C6 | C7 | H1 | 127.6° | 125.2° |
| C9 | C6 | C7 | N8 | 159.0° | 169.2° |
| C9 | C6 | C7 | H7 | 80.6° | 71.3° |
| C9 | C6 | C7 | H8 | 38.5° | 49.7° |
| C6 | C9 | H12 | H13 | 123.7° | 123.1° |
| C6 | C7 | N8 | C8A | 30.0° | 41.1° |
| C6 | C7 | N8 | H7 | 120.5° | 119.5° |
| C6 | C7 | N8 | H8 | 120.5° | 119.6° |
| C6 | C7 | H7 | H8 | 118.6° | 121.0° |
| C6 | C7 | N8 | H9 | 151.6° | 138.6° |
| C7 | C6 | C9 | H12 | 126.7° | 5.0° |
| C7 | C6 | C9 | H13 | 4.1° | 118.1° |
| N1 | C8A | N8 | C7 | 177.7° | 167.9° |
| N1 | C8A | N8 | H9 | 56.1° | 12.3° |
| C8A | N8 | C7 | H9 | 121.6° | 179.8° |
| C8A | N8 | C7 | H7 | 150.5° | 160.7° |
| C8A | N8 | C7 | H8 | 90.4° | 78.4° |
| N8 | C8A | N1 | H25 | 0.9° | 1.5° |
| N8 | C7 | C6 | H1 | 73.4° | 65.6° |
| N8 | C7 | H7 | H8 | 118.6° | 120.8° |
| H1 | C6 | C7 | H7 | 47.0° | 53.9° |
| H1 | C6 | C7 | H8 | 166.1° | 174.9° |
| H1 | C6 | C9 | H12 | 1.0° | 130.2° |
| H1 | C6 | C9 | H13 | 123.6° | 7.1° |
| H2 | C2' | C3' | H3 | 1.1° | 0.0° |
| H4 | C5' | C6' | H14 | 0.6° | 0.1° |
| H7 | C7 | N8 | H9 | 87.9° | 19.1° |
| H8 | C7 | N8 | H9 | 31.1° | 101.8° |
| H15 | N | CA | H16 | 173.5° | 145.0° |
| H16 | CA | CB | H18 | 123.2° | 174.9° |
| H16 | CA | CB | H19 | 4.4° | 65.0° |
| H18 | CB | CG | H20 | 174.2° | 180.0° |
| H18 | CB | CG | H21 | 66.8° | 60.0° |
| H19 | CB | CG | H20 | 55.5° | 60.0° |
| H19 | CB | CG | H21 | 174.4° | 180.0° |
