GIY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | N22 | sing | 1.42Å | 1.40Å | |
| O21 | C11 | doub | 1.21Å | 1.19Å | |
| N22 | C11 | sing | 1.35Å | 1.45Å | |
| C31 | N20 | doub | 1.32Å | 1.32Å | Aromatic |
| C31 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C05 | sing | 1.51Å | 1.53Å | |
| C33 | O30 | sing | 1.43Å | 1.40Å | |
| N20 | C18 | sing | 1.33Å | 1.32Å | Aromatic |
| C34 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | doub | 1.35Å | 1.45Å | Aromatic |
| C09 | N02 | sing | 1.35Å | 1.35Å | Aromatic |
| N13 | C17 | sing | 1.46Å | 1.45Å | |
| N13 | S01 | sing | 1.66Å | 1.71Å | |
| O30 | C24 | sing | 1.36Å | 1.41Å | |
| C24 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C08 | sing | 1.51Å | 1.53Å | |
| C05 | C19 | sing | 1.53Å | 1.53Å | |
| C05 | N02 | sing | 1.47Å | 1.46Å | |
| S06 | C10 | sing | 1.76Å | 1.69Å | Aromatic |
| S06 | C04 | sing | 1.76Å | 1.69Å | Aromatic |
| C23 | C19 | sing | 1.51Å | 1.54Å | |
| C23 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C10 | sing | 1.48Å | 1.52Å | |
| C18 | C32 | doub | 1.40Å | 1.39Å | Aromatic |
| C08 | N07 | sing | 1.34Å | 1.33Å | Aromatic |
| N02 | N03 | sing | 1.29Å | 1.32Å | Aromatic |
| C35 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C14 | doub | 1.35Å | 1.40Å | Aromatic |
| O16 | S01 | doub | 1.42Å | 1.47Å | |
| S01 | C04 | sing | 1.76Å | 1.82Å | |
| S01 | O15 | doub | 1.42Å | 1.47Å | |
| C04 | C12 | doub | 1.34Å | 1.41Å | Aromatic |
| N03 | N07 | doub | 1.29Å | 1.31Å | Aromatic |
| C14 | C12 | sing | 1.38Å | 1.43Å | Aromatic |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.08Å | 1.08Å | |
| C28 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.08Å | 1.08Å | |
| C29 | H12 | sing | 1.08Å | 1.08Å | |
| C31 | H13 | sing | 1.08Å | 1.08Å | |
| C32 | H14 | sing | 1.08Å | 1.08Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.08Å | 1.08Å | |
| C35 | H19 | sing | 1.08Å | 1.08Å | |
| N13 | H20 | sing | 0.97Å | 1.00Å | |
| N22 | H21 | sing | 0.97Å | 1.00Å | |
| O25 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | N22 | C11 | 119.3° | 120.0° |
| O25 | N22 | H21 | 120.3° | 120.0° |
| N22 | O25 | H22 | 109.5° | 114.0° |
| O21 | C11 | N22 | 119.4° | 120.0° |
| O21 | C11 | C05 | 121.5° | 120.0° |
| N22 | C11 | C05 | 119.1° | 120.0° |
| C11 | N22 | H21 | 120.4° | 120.0° |
| N20 | C31 | C34 | 120.4° | 120.9° |
| C31 | N20 | C18 | 122.5° | 121.5° |
| N20 | C31 | H13 | 119.8° | 119.5° |
| C31 | C34 | C35 | 118.9° | 119.5° |
| C34 | C31 | H13 | 119.8° | 119.6° |
| C31 | C34 | H18 | 120.5° | 120.2° |
| C11 | C05 | C19 | 111.5° | 109.5° |
| C11 | C05 | N02 | 108.8° | 109.5° |
| C11 | C05 | H5 | 107.0° | 109.5° |
| C33 | O30 | C24 | 115.5° | 117.0° |
| O30 | C33 | H15 | 109.5° | 109.4° |
| O30 | C33 | H16 | 109.5° | 109.5° |
| O30 | C33 | H17 | 109.5° | 109.5° |
| N20 | C18 | C10 | 118.7° | 119.7° |
| N20 | C18 | C32 | 120.4° | 120.5° |
| C34 | C35 | C32 | 118.9° | 118.5° |
| C35 | C34 | H18 | 120.6° | 120.3° |
| C34 | C35 | H19 | 120.6° | 120.8° |
| C27 | C28 | C24 | 120.1° | 120.0° |
| C28 | C27 | C23 | 120.4° | 120.0° |
| C27 | C28 | H4 | 119.9° | 120.0° |
| C28 | C27 | H11 | 119.8° | 120.0° |
| C28 | C24 | O30 | 121.0° | 120.1° |
| C28 | C24 | C29 | 119.5° | 119.9° |
| C24 | C28 | H4 | 120.0° | 120.0° |
| C27 | C23 | C19 | 120.1° | 120.0° |
| C27 | C23 | C26 | 119.4° | 120.1° |
| C23 | C27 | H11 | 119.8° | 120.0° |
| C08 | C09 | N02 | 106.1° | 106.2° |
| C09 | C08 | C17 | 131.3° | 126.7° |
| C09 | C08 | N07 | 105.2° | 106.5° |
| C08 | C09 | H6 | 127.0° | 126.9° |
| C09 | N02 | C05 | 129.6° | 125.8° |
| C09 | N02 | N03 | 108.0° | 108.3° |
| N02 | C09 | H6 | 126.9° | 126.9° |
| C17 | N13 | S01 | 120.9° | 120.0° |
| N13 | C17 | C08 | 117.5° | 109.5° |
| N13 | C17 | H1 | 107.5° | 109.5° |
| N13 | C17 | H2 | 107.4° | 109.5° |
| C17 | N13 | H20 | 106.5° | 120.1° |
| N13 | S01 | O16 | 112.1° | 106.4° |
| N13 | S01 | C04 | 106.6° | 107.2° |
| N13 | S01 | O15 | 111.5° | 106.4° |
| S01 | N13 | H20 | 106.5° | 120.0° |
| O30 | C24 | C29 | 119.5° | 120.0° |
| C24 | C29 | C26 | 120.4° | 119.9° |
| C24 | C29 | H12 | 119.8° | 120.1° |
| C17 | C08 | N07 | 123.4° | 126.8° |
| C08 | C17 | H1 | 107.4° | 109.4° |
| C08 | C17 | H2 | 107.4° | 109.5° |
| C19 | C05 | N02 | 114.4° | 109.5° |
| C05 | C19 | C23 | 112.0° | 109.4° |
| C19 | C05 | H5 | 107.0° | 109.5° |
| C05 | C19 | H9 | 108.8° | 109.5° |
| C05 | C19 | H10 | 108.8° | 109.4° |
| C05 | N02 | N03 | 122.4° | 125.9° |
| N02 | C05 | H5 | 107.8° | 109.4° |
| C10 | S06 | C04 | 99.5° | 91.0° |
| S06 | C10 | C18 | 125.0° | 125.2° |
| S06 | C10 | C14 | 106.6° | 109.5° |
| S06 | C04 | S01 | 125.0° | 125.1° |
| S06 | C04 | C12 | 106.1° | 109.8° |
| C19 | C23 | C26 | 120.5° | 119.9° |
| C23 | C19 | H9 | 108.9° | 109.5° |
| C23 | C19 | H10 | 108.9° | 109.4° |
| C23 | C26 | C29 | 120.2° | 120.1° |
| C23 | C26 | H3 | 119.9° | 120.0° |
| C10 | C18 | C32 | 121.0° | 119.8° |
| C18 | C10 | C14 | 128.4° | 125.3° |
| C18 | C32 | C35 | 118.9° | 119.1° |
| C18 | C32 | H14 | 120.6° | 120.4° |
| C08 | N07 | N03 | 109.3° | 108.8° |
| N02 | N03 | N07 | 111.4° | 110.3° |
| C35 | C32 | H14 | 120.5° | 120.5° |
| C32 | C35 | H19 | 120.5° | 120.7° |
| C29 | C26 | H3 | 119.9° | 119.9° |
| C26 | C29 | H12 | 119.8° | 120.0° |
| C10 | C14 | C12 | 113.5° | 114.7° |
| C10 | C14 | H8 | 123.3° | 122.6° |
| O16 | S01 | C04 | 112.3° | 106.4° |
| O16 | S01 | O15 | 101.4° | 123.2° |
| C04 | S01 | O15 | 113.1° | 106.4° |
| S01 | C04 | C12 | 128.8° | 125.1° |
| C04 | C12 | C14 | 114.3° | 115.1° |
| C04 | C12 | H7 | 122.9° | 122.4° |
| C14 | C12 | H7 | 122.8° | 122.5° |
| C12 | C14 | H8 | 123.3° | 122.6° |
| H1 | C17 | H2 | 109.5° | 109.5° |
| H9 | C19 | H10 | 109.5° | 109.5° |
| H15 | C33 | H16 | 109.4° | 109.4° |
| H15 | C33 | H17 | 109.4° | 109.5° |
| H16 | C33 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | N22 | C11 | O21 | 0.1° | 0.0° |
| O25 | N22 | C11 | H21 | 180.0° | 179.9° |
| O25 | N22 | C11 | C05 | 179.9° | 180.0° |
| O21 | C11 | N22 | C05 | 179.8° | 180.0° |
| O21 | C11 | C05 | C19 | 5.2° | 31.2° |
| O21 | C11 | C05 | N02 | 132.3° | 88.8° |
| O21 | C11 | C05 | H5 | 111.4° | 151.2° |
| O21 | C11 | N22 | H21 | 179.8° | 179.9° |
| N22 | C11 | C05 | C19 | 175.0° | 148.8° |
| N22 | C11 | C05 | N02 | 47.9° | 91.2° |
| N22 | C11 | C05 | H5 | 68.4° | 28.8° |
| C11 | N22 | O25 | H22 | 0.1° | 180.0° |
| N20 | C31 | C34 | H13 | 180.0° | 180.0° |
| N20 | C31 | C34 | C35 | 0.0° | 0.2° |
| C31 | N20 | C18 | C10 | 180.0° | 180.0° |
| C31 | N20 | C18 | C32 | 0.5° | 0.3° |
| N20 | C31 | C34 | H18 | 180.0° | 180.0° |
| C34 | C31 | N20 | C18 | 0.3° | 0.0° |
| C31 | C34 | C35 | H18 | 180.0° | 179.8° |
| C31 | C34 | C35 | C32 | 0.1° | 0.2° |
| C31 | C34 | C35 | H19 | 179.9° | 179.8° |
| C11 | C05 | N02 | C09 | 66.6° | 35.0° |
| C11 | C05 | C19 | N02 | 124.0° | 120.0° |
| C11 | C05 | C19 | H5 | 116.6° | 120.1° |
| C11 | C05 | N02 | H5 | 115.7° | 120.0° |
| C11 | C05 | C19 | C23 | 62.7° | 174.4° |
| C11 | C05 | N02 | N03 | 111.4° | 145.0° |
| C11 | C05 | C19 | H9 | 176.9° | 65.6° |
| C11 | C05 | C19 | H10 | 57.7° | 54.5° |
| C05 | C11 | N22 | H21 | 0.1° | 0.1° |
| C33 | O30 | C24 | C28 | 13.2° | 0.3° |
| C33 | O30 | C24 | C29 | 166.8° | 180.0° |
| O30 | C33 | H15 | H16 | 120.0° | 120.0° |
| O30 | C33 | H15 | H17 | 120.0° | 120.0° |
| O30 | C33 | H16 | H17 | 120.0° | 120.1° |
| N20 | C18 | C10 | S06 | 5.7° | 179.9° |
| N20 | C18 | C10 | C32 | 179.5° | 179.7° |
| N20 | C18 | C32 | C35 | 0.4° | 0.3° |
| N20 | C18 | C10 | C14 | 174.5° | 0.3° |
| C18 | N20 | C31 | H13 | 179.7° | 180.0° |
| N20 | C18 | C32 | H14 | 179.6° | 179.8° |
| C34 | C35 | C32 | C18 | 0.1° | 0.1° |
| C34 | C35 | C32 | H19 | 180.0° | 180.0° |
| C35 | C34 | C31 | H13 | 180.0° | 179.7° |
| C34 | C35 | C32 | H14 | 179.9° | 180.0° |
| C27 | C28 | C24 | H4 | 180.0° | 179.9° |
| C28 | C27 | C23 | H11 | 180.0° | 179.9° |
| C27 | C28 | C24 | O30 | 180.0° | 179.7° |
| C27 | C28 | C24 | C29 | 0.0° | 0.0° |
| C28 | C27 | C23 | C19 | 179.9° | 180.0° |
| C28 | C27 | C23 | C26 | 0.1° | 0.0° |
| C24 | C28 | C27 | C23 | 0.0° | 0.0° |
| C28 | C24 | O30 | C29 | 180.0° | 179.7° |
| C28 | C24 | C29 | C26 | 0.0° | 0.0° |
| C24 | C28 | C27 | H11 | 180.0° | 179.9° |
| C28 | C24 | C29 | H12 | 180.0° | 179.9° |
| C27 | C23 | C19 | C05 | 144.6° | 84.3° |
| C27 | C23 | C19 | C26 | 179.8° | 180.0° |
| C27 | C23 | C26 | C29 | 0.1° | 0.0° |
| C27 | C23 | C26 | H3 | 179.9° | 180.0° |
| C23 | C27 | C28 | H4 | 180.0° | 179.9° |
| C27 | C23 | C19 | H9 | 95.0° | 155.6° |
| C27 | C23 | C19 | H10 | 24.3° | 35.6° |
| C08 | C09 | N02 | H6 | 180.0° | 180.0° |
| C09 | C08 | C17 | N13 | 43.9° | 95.2° |
| C09 | C08 | C17 | N07 | 177.4° | 179.8° |
| C08 | C09 | N02 | C05 | 179.4° | 180.0° |
| C08 | C09 | N02 | N03 | 1.1° | 0.1° |
| C09 | C08 | N07 | N03 | 0.9° | 0.4° |
| C09 | C08 | C17 | H1 | 77.3° | 144.8° |
| C09 | C08 | C17 | H2 | 165.0° | 24.8° |
| N02 | C09 | C08 | C17 | 179.0° | 180.0° |
| C09 | N02 | C05 | C19 | 58.8° | 85.0° |
| C09 | N02 | C05 | N03 | 178.0° | 179.9° |
| N02 | C09 | C08 | N07 | 1.3° | 0.2° |
| C09 | N02 | N03 | N07 | 0.6° | 0.3° |
| C09 | N02 | C05 | H5 | 177.6° | 155.0° |
| C17 | N13 | S01 | H20 | 121.6° | 180.0° |
| N13 | C17 | C08 | H1 | 121.2° | 120.0° |
| N13 | C17 | C08 | H2 | 121.1° | 120.0° |
| N13 | C17 | C08 | N07 | 138.7° | 85.0° |
| C17 | N13 | S01 | O16 | 154.8° | 178.5° |
| C17 | N13 | S01 | C04 | 82.0° | 65.0° |
| C17 | N13 | S01 | O15 | 41.9° | 48.5° |
| N13 | C17 | H1 | H2 | 116.3° | 120.1° |
| S01 | N13 | C17 | C08 | 67.8° | 165.0° |
| N13 | S01 | C04 | S06 | 76.1° | 89.6° |
| N13 | S01 | O16 | C04 | 119.9° | 114.1° |
| N13 | S01 | O16 | O15 | 119.0° | 123.0° |
| N13 | S01 | C04 | O15 | 122.9° | 113.5° |
| N13 | S01 | C04 | C12 | 102.9° | 90.0° |
| S01 | N13 | C17 | H1 | 171.0° | 45.0° |
| S01 | N13 | C17 | H2 | 53.4° | 75.0° |
| O30 | C24 | C29 | C26 | 180.0° | 179.7° |
| O30 | C24 | C28 | H4 | 0.0° | 0.3° |
| O30 | C24 | C29 | H12 | 0.0° | 0.2° |
| C24 | O30 | C33 | H15 | 180.0° | 60.0° |
| C24 | O30 | C33 | H16 | 60.0° | 60.0° |
| C24 | O30 | C33 | H17 | 60.0° | 180.0° |
| C24 | C29 | C26 | C23 | 0.0° | 0.0° |
| C24 | C29 | C26 | H12 | 180.0° | 179.9° |
| C24 | C29 | C26 | H3 | 180.0° | 180.0° |
| C29 | C24 | C28 | H4 | 180.0° | 179.9° |
| C17 | C08 | N07 | N03 | 178.9° | 179.8° |
| C08 | C17 | H1 | H2 | 116.4° | 120.0° |
| C17 | C08 | C09 | H6 | 0.9° | 0.1° |
| C08 | C17 | N13 | H20 | 170.6° | 15.0° |
| C19 | C05 | N02 | H5 | 118.9° | 120.0° |
| C05 | C19 | C23 | H9 | 120.4° | 120.1° |
| C05 | C19 | C23 | H10 | 120.4° | 119.9° |
| C05 | C19 | C23 | C26 | 35.2° | 95.7° |
| C19 | C05 | N02 | N03 | 123.2° | 95.0° |
| C05 | C19 | H9 | H10 | 118.8° | 120.0° |
| N02 | C05 | C19 | C23 | 173.3° | 65.6° |
| C05 | N02 | N03 | N07 | 179.0° | 179.8° |
| C05 | N02 | C09 | H6 | 0.6° | 0.0° |
| N02 | C05 | C19 | H9 | 52.9° | 54.4° |
| N02 | C05 | C19 | H10 | 66.3° | 174.5° |
| S06 | C10 | C18 | C14 | 179.8° | 179.6° |
| S06 | C10 | C18 | C32 | 174.9° | 0.3° |
| C10 | S06 | C04 | S01 | 179.4° | 179.8° |
| C10 | S06 | C04 | C12 | 0.2° | 0.2° |
| S06 | C10 | C14 | C12 | 0.2° | 0.3° |
| S06 | C10 | C14 | H8 | 179.7° | 179.8° |
| C04 | S06 | C10 | C18 | 179.9° | 179.7° |
| C04 | S06 | C10 | C14 | 0.0° | 0.1° |
| S06 | C04 | S01 | O16 | 47.0° | 156.9° |
| S06 | C04 | S01 | C12 | 179.0° | 179.6° |
| S06 | C04 | S01 | O15 | 161.0° | 24.0° |
| S06 | C04 | C12 | C14 | 0.4° | 0.4° |
| S06 | C04 | C12 | H7 | 179.6° | 179.6° |
| C19 | C23 | C26 | C29 | 179.9° | 180.0° |
| C19 | C23 | C26 | H3 | 0.1° | 0.0° |
| C23 | C19 | C05 | H5 | 53.9° | 54.3° |
| C23 | C19 | H9 | H10 | 118.9° | 120.0° |
| C19 | C23 | C27 | H11 | 0.1° | 0.1° |
| C23 | C26 | C29 | H3 | 180.0° | 180.0° |
| C26 | C23 | C19 | H9 | 85.2° | 24.4° |
| C26 | C23 | C19 | H10 | 155.6° | 144.4° |
| C26 | C23 | C27 | H11 | 179.9° | 179.9° |
| C23 | C26 | C29 | H12 | 180.0° | 179.9° |
| C10 | C18 | C32 | C35 | 179.8° | 180.0° |
| C18 | C10 | C14 | C12 | 179.9° | 180.0° |
| C18 | C10 | C14 | H8 | 0.1° | 0.1° |
| C10 | C18 | C32 | H14 | 0.2° | 0.1° |
| C18 | C32 | C35 | H14 | 180.0° | 179.9° |
| C32 | C18 | C10 | C14 | 5.0° | 180.0° |
| C18 | C32 | C35 | H19 | 179.9° | 180.0° |
| C08 | N07 | N03 | N02 | 0.3° | 0.4° |
| N07 | C08 | C17 | H1 | 100.1° | 35.0° |
| N07 | C08 | C17 | H2 | 17.6° | 155.0° |
| N07 | C08 | C09 | H6 | 178.7° | 179.8° |
| N03 | N02 | C05 | H5 | 4.3° | 25.1° |
| N03 | N02 | C09 | H6 | 178.8° | 180.0° |
| C32 | C35 | C34 | H18 | 179.9° | 180.0° |
| C10 | C14 | C12 | C04 | 0.4° | 0.5° |
| C10 | C14 | C12 | H8 | 180.0° | 179.9° |
| C10 | C14 | C12 | H7 | 179.6° | 179.5° |
| O16 | S01 | C04 | O15 | 114.0° | 132.9° |
| O16 | S01 | C04 | C12 | 134.0° | 23.5° |
| O16 | S01 | N13 | H20 | 33.2° | 1.5° |
| S01 | C04 | C12 | C14 | 179.5° | 180.0° |
| S01 | C04 | C12 | H7 | 0.5° | 0.0° |
| C04 | S01 | N13 | H20 | 156.4° | 115.0° |
| O15 | S01 | C04 | C12 | 20.0° | 156.4° |
| O15 | S01 | N13 | H20 | 79.7° | 131.4° |
| C04 | C12 | C14 | H7 | 180.0° | 180.0° |
| C04 | C12 | C14 | H8 | 179.6° | 179.6° |
| H1 | C17 | N13 | H20 | 49.4° | 135.0° |
| H2 | C17 | N13 | H20 | 68.2° | 105.0° |
| H3 | C26 | C29 | H12 | 0.0° | 0.1° |
| H4 | C28 | C27 | H11 | 0.0° | 0.0° |
| H5 | C05 | C19 | H9 | 66.5° | 174.4° |
| H5 | C05 | C19 | H10 | 174.3° | 65.6° |
| H7 | C12 | C14 | H8 | 0.4° | 0.4° |
| H13 | C31 | C34 | H18 | 0.0° | 0.0° |
| H14 | C32 | C35 | H19 | 0.1° | 0.1° |
| H15 | C33 | H16 | H17 | 119.9° | 120.0° |
| H18 | C34 | C35 | H19 | 0.0° | 0.0° |
| H21 | N22 | O25 | H22 | 179.9° | 0.1° |
