| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.1 | Very low | 44.1 | Very low | 241 Ų | 241 | 143.8 Ų | 143.8 | 100% | 1.187 | 85% | 0.852 | S | S | * | * | 0 | 109.9 | 0 | -66.7 | 177.8 | 172 | 0 | 0 | 106.6 | |||||
| 2 | S | 45.8 | Very low | 44 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 69% | 0.692 | 85% | 0.853 | S | S | * | * | cis | 179.7 | 119.8 | -2.6 | 12.3 | 0 | 0 | 0 | 0 | 101.5 | ||||
| 3 | E | 46.8 | Very low | 43.7 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 83% | 0.832 | 85% | 0.848 | S | S | * | * | 43.5 | 114.3 | 111.9 | -86.4 | 166.4 | 101.7 | 0 | 0 | 114.1 | |||||
| 4 | E | 53.4 | Low | 43.2 | Very low | 190 Ų | 190 | 134.5 Ų | 134.5 | 89% | 0.888 | 85% | 0.847 | S | S | * | * | -153.9 | 129.2 | 128 | -109.9 | 175.1 | 137.3 | 0 | 0 | 111.1 | |||||
| 5 | Q | 50 | Low | 42.9 | Very low | 171 Ų | 171 | 131.4 Ų | 131.4 | 80% | 0.799 | 84% | 0.839 | S | S | * | * | trans | -128.4 | 129.8 | -171.3 | 180 | -177.5 | 31.5 | 0 | 0 | 104.1 | ||||
| 6 | F | 49.3 | Very low | 42.4 | Very low | 202 Ų | 202 | 132 Ų | 132 | 89% | 0.886 | 84% | 0.841 | S | S | * | * | trans | -144.5 | 115.7 | 158.8 | -103.7 | -82.2 | 0 | 0 | 0 | 109.2 | ||||
| 7 | G | 40.2 | Very low | 42.2 | Very low | 71 Ų | 71 | 129.8 Ų | 129.8 | 73% | 0.732 | 84% | 0.838 | S | S | * | * | trans | -83.2 | 174.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 8 | G | 40 | Very low | 42 | Very low | 78 Ų | 78 | 128.1 Ų | 128.1 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | 178.3 | 97.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 9 | D | 42 | Very low | 42.1 | Very low | 173 Ų | 173 | 129.3 Ų | 129.3 | 93% | 0.925 | 84% | 0.841 | S | S | * | * | trans | -46.4 | 161.1 | 170.7 | -82 | -100 | 0 | 0 | 0 | 118.4 | ||||
| 10 | G | 36.5 | Very low | 41.8 | Very low | 74 Ų | 74 | 126.2 Ų | 126.2 | 76% | 0.763 | 83% | 0.833 | S | S | * | * | trans | 111.5 | 140.7 | 146.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 11 | A | 41.2 | Very low | 41.5 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 87% | 0.868 | 84% | 0.835 | S | S | * | * | cis | -167.6 | 158.5 | -1.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 12 | A | 42.7 | Very low | 41.4 | Very low | 104 Ų | 104 | 118.1 Ų | 118.1 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -73.3 | 151 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 13 | A | 40.8 | Very low | 41.2 | Very low | 96 Ų | 96 | 118 Ų | 118 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | trans | -167.3 | 112.7 | 144.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 14 | A | 36 | Very low | 40.5 | Very low | 101 Ų | 101 | 113 Ų | 113 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | 65.4 | 108.6 | 54.1 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 15 | A | 38.6 | Very low | 39.6 | Very low | 88 Ų | 88 | 112.6 Ų | 112.6 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | 166.8 | 100.3 | 140.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 16 | T | 35.8 | Very low | 39 | Very low | 141 Ų | 141 | 112.6 Ų | 112.6 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | 81.9 | 115.7 | 75.4 | 53.7 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 17 | A | 37.7 | Very low | 38.3 | Very low | 95 Ų | 95 | 112.6 Ų | 112.6 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | 163.8 | 108.9 | 128.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 18 | A | 38.6 | Very low | 37.8 | Very low | 98 Ų | 98 | 112.4 Ų | 112.4 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | 62.4 | 130.2 | 67 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 19 | V | 43.8 | Very low | 37.4 | Very low | 152 Ų | 152 | 113.4 Ų | 113.4 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | cis | -168.2 | 159.2 | 37.2 | 163.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 20 | G | 36.7 | Very low | 36.9 | Very low | 67 Ų | 67 | 113.7 Ų | 113.7 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | cis | -163 | 165.9 | 14.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 21 | G | 34.8 | Very low | 36.9 | Very low | 85 Ų | 85 | 116.2 Ų | 116.2 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | 88.4 | 122 | 57 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 22 | S | 39.7 | Very low | 36.5 | Very low | 113 Ų | 113 | 115.4 Ų | 115.4 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | cis | -146.5 | 146.2 | 32.7 | 65.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 23 | A | 39.8 | Very low | 35.9 | Very low | 97 Ų | 97 | 114.8 Ų | 114.8 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | 49.9 | 115.3 | 76.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 24 | G | 33.3 | Very low | 35.6 | Very low | 73 Ų | 73 | 116 Ų | 116 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | 128.5 | 157.9 | 77.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 25 | E | 35.3 | Very low | 35.7 | Very low | 180 Ų | 180 | 120.5 Ų | 120.5 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | cis | -173.1 | -171.8 | 16.1 | -145.1 | 152.7 | 116.7 | 0 | 0 | 108.2 | ||||
| 26 | Q | 36 | Very low | 35.4 | Very low | 172 Ų | 172 | 119.4 Ų | 119.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -79 | 165.4 | -162.9 | -59 | 161.1 | -48.4 | 0 | 0 | 117.3 | ||||
| 27 | E | 34 | Very low | 35.3 | Very low | 202 Ų | 202 | 117.8 Ų | 117.8 | 94% | 0.944 | 80% | 0.803 | S | S | * | * | trans | 162 | 151.2 | 131.1 | -93 | -164.7 | 134.6 | 0 | 0 | 107.5 | ||||
| 28 | G | 29.6 | Very low | 35.2 | Very low | 67 Ų | 67 | 117.5 Ų | 117.5 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | cis | 144 | 153.5 | 18.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 29 | A | 32.6 | Very low | 34.9 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 85.4 | 116.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 30 | M | 32 | Very low | 34.6 | Very low | 179 Ų | 179 | 114.8 Ų | 114.8 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | 60.8 | 136.4 | 83.8 | -102.7 | -167 | 174.6 | 0 | 0 | 112.7 | |||||
| 31 | V | 35.1 | Very low | 34.4 | Very low | 127 Ų | 127 | 116.8 Ų | 116.8 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | cis | -169.6 | 151.6 | 24.4 | -103.3 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 32 | A | 33.1 | Very low | 34.1 | Very low | 88 Ų | 88 | 115.6 Ų | 115.6 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | 162.8 | 125.6 | 77.4 | 0 | 0 | 0 | 0 | 0 | 106 | |||||
| 33 | A | 31.3 | Very low | 33.8 | Very low | 90 Ų | 90 | 116.4 Ų | 116.4 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | 46.9 | 114.2 | 97.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 34 | T | 34.1 | Very low | 33.3 | Very low | 122 Ų | 122 | 115.7 Ų | 115.7 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | 178.2 | 125.4 | 110.7 | 33.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 35 | Q | 38.4 | Very low | 33.2 | Very low | 195 Ų | 195 | 117.5 Ų | 117.5 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | 51.2 | 140.7 | 131.4 | -60.3 | 172.5 | -5.6 | 0 | 0 | 120.1 | ||||
| 36 | G | 31.5 | Very low | 33 | Very low | 65 Ų | 65 | 112.7 Ų | 112.7 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | cis | -170.2 | 149.7 | 9.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 37 | A | 34.7 | Very low | 32.7 | Very low | 107 Ų | 107 | 111.9 Ų | 111.9 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | 67.2 | 132.3 | 105.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 38 | A | 34.7 | Very low | 32.5 | Very low | 90 Ų | 90 | 105.7 Ų | 105.7 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | cis | -159.9 | 144.6 | 30.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 39 | A | 32.9 | Very low | 32.5 | Very low | 103 Ų | 103 | 106.8 Ų | 106.8 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | 70 | 139.1 | 102.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 40 | A | 37.1 | Very low | 32.3 | Very low | 90 Ų | 90 | 105.8 Ų | 105.8 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | cis | -156.5 | 141.5 | 20.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 41 | A | 31.5 | Very low | 32.3 | Very low | 108 Ų | 108 | 104.3 Ų | 104.3 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | 57.5 | 136.8 | 92.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 42 | G | 30 | Very low | 32.1 | Very low | 61 Ų | 61 | 102.9 Ų | 102.9 | 63% | 0.629 | 82% | 0.817 | S | S | * | * | cis | -163.3 | 150.4 | 10.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 43 | S | 32.2 | Very low | 32.2 | Very low | 130 Ų | 130 | 104.5 Ų | 104.5 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | 65 | 117.9 | 88 | 71.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 44 | G | 29.7 | Very low | 32.1 | Very low | 82 Ų | 82 | 103.9 Ų | 103.9 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | 178.8 | 85.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 45 | A | 32.4 | Very low | 31.9 | Very low | 111 Ų | 111 | 101.5 Ų | 101.5 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | trans | -70.4 | 152.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 46 | G | 29.2 | Very low | 31.5 | Very low | 79 Ų | 79 | 98.2 Ų | 98.2 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -179.5 | 99 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 47 | T | 31.5 | Very low | 31.5 | Very low | 154 Ų | 154 | 104.1 Ų | 104.1 | 95% | 0.945 | 83% | 0.829 | S | S | * | * | trans | -53.8 | 153.5 | 170.7 | -35.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 48 | G | 28.8 | Very low | 31.2 | Very low | 73 Ų | 73 | 103.1 Ų | 103.1 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | trans | 154.2 | 115.1 | 153.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 49 | G | 30.1 | Very low | 30.9 | Very low | 89 Ų | 89 | 102.4 Ų | 102.4 | 92% | 0.918 | 83% | 0.83 | S | S | * | * | trans | -81 | 170.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 50 | G | 27.7 | Very low | 31.2 | Very low | 78 Ų | 78 | 103.5 Ų | 103.5 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | 161.7 | 106.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 51 | T | 31.7 | Very low | 31.1 | Very low | 148 Ų | 148 | 103.8 Ų | 103.8 | 91% | 0.908 | 83% | 0.834 | S | S | * | * | trans | -48.1 | 140.4 | 167.1 | -35.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 52 | A | 30.9 | Very low | 31.5 | Very low | 97 Ų | 97 | 108.1 Ų | 108.1 | 80% | 0.802 | 84% | 0.836 | S | S | * | * | trans | -179.6 | 142.9 | 134 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 53 | S | 35.7 | Very low | 32.1 | Very low | 122 Ų | 122 | 110.5 Ų | 110.5 | 85% | 0.853 | 84% | 0.843 | S | S | * | * | trans | -54.6 | 155.6 | 171.5 | 51.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 54 | G | 28.6 | Very low | 32.6 | Very low | 77 Ų | 77 | 113 Ų | 113 | 79% | 0.794 | 84% | 0.84 | S | S | * | * | trans | 160.6 | 107.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 55 | G | 31 | Very low | 33.3 | Very low | 72 Ų | 72 | 111.8 Ų | 111.8 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | trans | -76.8 | 165.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 56 | T | 29.1 | Very low | 33.8 | Very low | 127 Ų | 127 | 110 Ų | 110 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | -177.3 | 120.6 | 133.7 | -68.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 57 | E | 31.2 | Very low | 34.8 | Very low | 189 Ų | 189 | 115 Ų | 115 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | 15.5 | 138.2 | 144.8 | -55.4 | 179 | 121.3 | 0 | 0 | 122.6 | ||||
| 58 | G | 29.4 | Very low | 35.9 | Very low | 85 Ų | 85 | 109.7 Ų | 109.7 | 88% | 0.876 | 78% | 0.777 | S | S | * | * | trans | 121.2 | 119.8 | 135 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 59 | G | 27.9 | Very low | 36.8 | Very low | 75 Ų | 75 | 111.8 Ų | 111.8 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 140.9 | 83.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 116 | A61 | G59-A61 PolarHBondContact O-N 2.78Š| ||
| 60 | S | 40 | Very low | 37.8 | Very low | 127 Ų | 127 | 108.8 Ų | 108.8 | 89% | 0.888 | 74% | 0.738 | S | S | * | * | trans | -41.2 | 122.5 | 160.9 | 46 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 61 | A | 35.1 | Very low | 38.6 | Very low | 96 Ų | 96 | 109.3 Ų | 109.3 | 79% | 0.793 | 73% | 0.73 | S | S | * | * | trans | -134 | 110.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | G59 S63 | G59-A61 PolarHBondContact O-N 2.78Å; A61-S63 PolarHBondContact O-N 3.04Å; A61-S63 VanDerWaalsContact O-N 3.11Å | ||
| 62 | E | 40.1 | Very low | 39.2 | Very low | 199 Ų | 199 | 108.6 Ų | 108.6 | 93% | 0.93 | 71% | 0.714 | S | S | * | * | trans | -58.1 | 109.1 | 172 | -69.2 | 172.9 | 110.7 | 0 | 0 | 109 | E64 | E62-E64 PolarHBondContact O-N 3.43Š| ||
| 63 | S | 41.2 | Very low | 40.1 | Very low | 111 Ų | 111 | 110.9 Ų | 110.9 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | trans | -80.6 | 108.1 | 163.3 | 175.9 | 0 | 0 | 0 | 0 | 107.8 | A61 | A61-S63 PolarHBondContact O-N 3.04Å; A61-S63 VanDerWaalsContact O-N 3.11Å | ||
| 64 | E | 42.4 | Very low | 40.7 | Very low | 182 Ų | 182 | 113.1 Ų | 113.1 | 85% | 0.85 | 71% | 0.709 | S | S | * | * | trans | -38.4 | 149.3 | 157.9 | -83.9 | -177.3 | 99.7 | 0 | 0 | 112.1 | E62 A66 | E62-E64 PolarHBondContact O-N 3.43Å; E64-A66 PolarHBondContact O-N 3.21Å | ||
| 65 | G | 46 | Very low | 41.9 | Very low | 57 Ų | 57 | 113.3 Ų | 113.3 | 59% | 0.588 | 69% | 0.69 | S | S | * | * | trans | -47.1 | 109.9 | -165 | 0 | 0 | 0 | 0 | 0 | 114.8 | K67 | G65-K67 PolarHBondContact O-N 3.11Š| ||
| 66 | A | 42.8 | Very low | 43.2 | Very low | 72 Ų | 72 | 111.8 Ų | 111.8 | 60% | 0.595 | 66% | 0.664 | S | S | * | * | trans | -55.5 | 108.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | E64 I68 | E64-A66 PolarHBondContact O-N 3.21Å; A66-I68 PolarHBondContact O-N 3.36Å; A66-I68 VanDerWaalsContact O-N 3.12Å | ||
| 67 | K | 49.8 | Very low | 45 | Very low | 186 Ų | 186 | 112.2 Ų | 112.2 | 81% | 0.809 | 66% | 0.658 | S | S | * | * | trans | -58.7 | 117.1 | 168.7 | -68.2 | 168.3 | -175.7 | 167.8 | 0 | 105.6 | G65 D69 | G65-K67 PolarHBondContact O-N 3.11Å; K67-D69 VanDerWaalsContact C-N 3.34Å; K67-D69 PolarHBondContact O-N 3.28Å | ||
| 68 | I | 55.3 | Low | 46.9 | Very low | 41 Ų | 41 | 103.5 Ų | 103.5 | 21% | 0.21 | 62% | 0.619 | C | S | . | * | trans | -52.3 | 99.8 | 166.1 | 25.7 | 168.2 | 0 | 0 | 0 | 109 | A66 A70 D106 T108 F123 L125 | A66-I68 PolarHBondContact O-N 3.36Å; A66-I68 VanDerWaalsContact O-N 3.12Å; I68-A70 VanDerWaalsContact C-N 3.35Å; I68-A70 PolarHBondContact O-N 2.79Å; I68-D106 HydrophobicContact CG2-CB 4.26Å; I68-D106 WeakPolarHBondContact CG2-OD2 3.24Å; I68-T108 HydrophobicContact CD1-CG2 4.19Å; I68-F123 HydrophobicContact CD1-CB 4.27Å; I68-L125 HydrophobicContact CG2-CD2 4.38Å | ||
| 69 | D | 47.8 | Very low | 49.5 | Very low | 117 Ų | 117 | 100.6 Ų | 100.6 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | trans | -69.7 | 93.7 | 168.4 | -97.2 | -61.7 | 0 | 0 | 0 | 107.4 | K67 S71 | K67-D69 VanDerWaalsContact C-N 3.34Å; K67-D69 PolarHBondContact O-N 3.28Å; D69-S71 PolarHBondContact O-N 3.27Å | ||
| 70 | A | 49.6 | Very low | 52.3 | Low | 27 Ų | 27 | 97 Ų | 97 | 22% | 0.223 | 55% | 0.545 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 43 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I68 T158 | I68-A70 VanDerWaalsContact C-N 3.35Å; I68-A70 PolarHBondContact O-N 2.79Å; A70-T158 PolarHBondContact O-OG1 2.76Å |
| 71 | S | 46 | Very low | 54.6 | Low | 89 Ų | 89 | 94 Ų | 94 | 62% | 0.622 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.8 | -8.5 | -174 | 48.8 | 0 | 0 | 0 | 0 | 113.8 | D69 | D69-S71 PolarHBondContact O-N 3.27Š|
| 72 | K | 43.3 | Very low | 57.1 | Low | 133 Ų | 133 | 89.5 Ų | 89.5 | 58% | 0.578 | 48% | 0.479 | S | S | * | . | trans | -100.9 | 111.8 | 169.8 | -89.1 | -176.6 | 175.2 | -178 | 0 | 111 | E74 E75 | K72-E74 PolarHBondContact O-N 2.93Å; K72-E75 HydrophobicContact CB-CG 4.38Å; K72-E75 PolarHBondContact O-N 2.8Å | ||
| 73 | N | 49.3 | Very low | 59.4 | Low | 144 Ų | 144 | 80.3 Ų | 80.3 | 77% | 0.77 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -13 | 176.6 | -69.1 | -32 | 0 | 0 | 0 | 114.9 | ||
| 74 | E | 49.1 | Very low | 61.5 | Low | 169 Ų | 169 | 76.4 Ų | 76.4 | 79% | 0.79 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -23.7 | 174.9 | -71 | 176.7 | 145.7 | 0 | 0 | 113.1 | K72 D76 | K72-E74 PolarHBondContact O-N 2.93Å; E74-D76 PolarHBondContact O-N 3.39Å |
| 75 | E | 52.9 | Low | 63.7 | Low | 81 Ų | 81 | 67.7 Ų | 67.7 | 38% | 0.379 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -3.9 | 177.3 | -66.6 | 177.4 | -168.7 | 0 | 0 | 112.3 | K72 K79 L125 | K72-E75 HydrophobicContact CB-CG 4.38Å; K72-E75 PolarHBondContact O-N 2.8Å; E75-K79 WeakPolarHBondContact O-CB 3.2Å; E75-L125 HydrophobicContact CB-CD1 4.22Å; E75-L125 WeakPolarHBondContact O-CD1 3.5Å |
| 76 | D | 59.6 | Low | 65.6 | Low | 40 Ų | 40 | 66.1 Ų | 66.1 | 21% | 0.214 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -29.8 | 179.5 | -78.1 | -37.1 | 0 | 0 | 0 | 113 | E74 K79 A155 | E74-D76 PolarHBondContact O-N 3.39Å; D76-K79 PolarHBondContact O-N 3.4Å; D76-A155 WeakPolarHBondContact OD1-CB 3.43Å |
| 77 | E | 65.7 | Low | 67.6 | Low | 136 Ų | 136 | 70.1 Ų | 70.1 | 64% | 0.636 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -33.4 | 178 | -72.6 | -177 | 179.4 | 0 | 0 | 112.5 | K79 | E77-K79 VanDerWaalsContact C-N 3.32Š|
| 78 | G | 72.1 | Confident | 69.3 | Low | 7 Ų | 7 | 67.5 Ų | 67.5 | 7% | 0.072 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -7.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | F126 | G78-F126 PolarHBondContact O-N 3.41Š|
| 79 | K | 84.4 | Confident | 70.7 | Confident | 23 Ų | 23 | 65.8 Ų | 65.8 | 10% | 0.1 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 131 | -173 | -163.6 | 176.6 | -172.7 | 166.3 | 0 | 112.5 | E75 D76 E77 V124 L125 A153 | E75-K79 WeakPolarHBondContact O-CB 3.2Å; D76-K79 PolarHBondContact O-N 3.4Å; E77-K79 VanDerWaalsContact C-N 3.32Å; K79-V124 CarbonylContact C-O 3.58Å; K79-V124 WeakPolarHBondContact CA-O 3.15Å; K79-L125 HydrophobicContact CB-CD1 4.09Å; K79-A153 HydrophobicContact CB-CB 3.92Å; K79-A153 HydrophobicContact CD-CB 4.12Å; K79-A153 HydrophobicContact CG-CB 3.65Å; K79-A153 WeakPolarHBondContact O-CB 3.37Å; K79-A153 PolarHBondContact O-N 2.94Å |
| 80 | M | 85.9 | Confident | 72.6 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 133.2 | -177.4 | -76.7 | -70.8 | -89.1 | 0 | 0 | 110.9 | I82 F123 V124 F126 V132 V135 M136 P150 K151 R152 | M80-I82 HydrophobicContact CB-CD1 4.04Å; M80-F123 CarbonylContact O-C 3.59Å; M80-F123 VanDerWaalsContact O-CA 3.23Å; M80-F123 WeakPolarHBondContact O-CA 3.48Å; M80-V124 PolarHBondContact N-O 3.04Å; M80-V124 PolarHBondContact O-N 2.98Å; M80-F126 HydrophobicContact CB-CE2 4.45Å; M80-F126 HydrophobicContact CG-CD2 4.22Å; M80-F126 HydrophobicContact CG-CE2 4.18Å; M80-V132 HydrophobicContact CE-CG1 3.93Å; M80-V132 HydrophobicContact CG-CB 4.14Å; M80-V132 HydrophobicContact CG-CG1 3.78Å; M80-V132 HydrophobicContact CG-CG2 3.56Å; M80-V132 HydrophobicContact SD-CB 4.28Å; M80-V132 HydrophobicContact SD-CG1 3.3Å; M80-V132 WeakPolarHBondContact SD-CG1 3.39Å; M80-V132 HydrophobicContact SD-CG2 4.28Å; M80-V135 HydrophobicContact CE-CB 4.2Å; M80-V135 HydrophobicContact CE-CG1 3.73Å; M80-M136 HydrophobicContact CE-CE 3.38Å; M80-M136 HydrophobicContact CE-CG 4.24Å; M80-M136 HydrophobicContact SD-CE 3.81Å; M80-P150 HydrophobicContact CE-CB 3.79Å; M80-K151 VanDerWaalsContact SD-O 3.37Å; M80-R152 VanDerWaalsContact SD-CA 3.56Å; M80-R152 HydrophobicContact SD-CG 4.27Å |
| 81 | F | 88.1 | Confident | 74.3 | Confident | 65 Ų | 65 | 66.3 Ų | 66.3 | 29% | 0.285 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 125.4 | 168.5 | 170.3 | -92.6 | 0 | 0 | 0 | 108.4 | F121 F123 P150 K151 A153 | F81-F121 HydrophobicContact CE2-CB 3.87Å; F81-F121 AromaticContact CE2-CD2 3.7Å; F81-F121 HydrophobicContact CE2-CD2 3.7Å; F81-F121 HydrophobicContact CE2-CG 4.06Å; F81-F121 HydrophobicContact CZ-CB 3.81Å; F81-F121 HydrophobicContact CZ-CD2 4.4Å; F81-F121 HydrophobicContact CZ-CG 4.3Å; F81-F123 HydrophobicContact CB-CD1 4.37Å; F81-F123 HydrophobicContact CB-CE1 4.23Å; F81-F123 HydrophobicContact CD2-CD1 4.38Å; F81-F123 AromaticContact CD2-CE1 3.79Å; F81-F123 HydrophobicContact CD2-CE1 3.79Å; F81-F123 AromaticContact CD2-CZ 3.96Å; F81-F123 HydrophobicContact CD2-CZ 3.96Å; F81-P150 CarbonylContact O-C 3.56Å; F81-P150 WeakPolarHBondContact O-CA 3.36Å; F81-K151 HydrophobicContact CD1-CB 4.15Å; F81-K151 PolarHBondContact N-O 2.93Å; F81-K151 PolarHBondContact O-N 3.08Å; F81-K151 VanDerWaalsContact O-O 3.13Å; F81-A153 HydrophobicContact CB-CB 4.4Å |
| 82 | I | 87.7 | Confident | 76.4 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 105.4 | 177.6 | -45.4 | -55.9 | 0 | 0 | 0 | 108.3 | M80 L85 L94 F98 F121 G122 V124 I148 P150 | M80-I82 HydrophobicContact CB-CD1 4.04Å; I82-L85 HydrophobicContact CB-CD1 4.24Å; I82-L85 HydrophobicContact CG2-CD1 4.13Å; I82-L85 HydrophobicContact CG2-CD2 3.74Å; I82-L85 HydrophobicContact CG2-CG 3.94Å; I82-L94 HydrophobicContact CB-CD2 4.33Å; I82-L94 HydrophobicContact CG1-CD2 4.15Å; I82-L94 HydrophobicContact CG2-CD2 4.21Å; I82-F98 HydrophobicContact CD1-CE1 3.91Å; I82-F98 HydrophobicContact CD1-CE2 3.83Å; I82-F98 HydrophobicContact CD1-CZ 3.37Å; I82-F98 HydrophobicContact CG1-CE2 3.83Å; I82-F98 HydrophobicContact CG1-CZ 3.88Å; I82-F98 HydrophobicContact CG2-CE2 3.99Å; I82-F98 HydrophobicContact CG2-CZ 3.96Å; I82-F121 CarbonylContact O-C 3.59Å; I82-F121 WeakPolarHBondContact O-CA 3.43Å; I82-G122 PolarHBondContact N-O 3.13Å; I82-G122 PolarHBondContact O-N 3.35Å; I82-V124 HydrophobicContact CD1-CG2 4.29Å; I82-V124 HydrophobicContact CG1-CB 4.3Å; I82-V124 HydrophobicContact CG1-CG2 3.63Å; I82-I148 HydrophobicContact CG2-CB 4.16Å; I82-I148 HydrophobicContact CG2-CD1 4.08Å; I82-I148 HydrophobicContact CG2-CG1 4.47Å; I82-P150 HydrophobicContact CD1-CB 3.76Å |
| 83 | G | 88 | Confident | 78.5 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 7% | 0.072 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 163 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L85 I148 D149 | G83-L85 VanDerWaalsContact C-N 3.3Å; G83-L85 PolarHBondContact O-N 3.35Å; G83-I148 CarbonylContact O-C 3.55Å; G83-I148 WeakPolarHBondContact O-CA 3.49Å; G83-D149 PolarHBondContact N-O 3.42Å; G83-D149 PolarHBondContact O-N 3.09Å |
| 84 | G | 86.3 | Confident | 80.3 | Confident | 28 Ų | 28 | 58.1 Ų | 58.1 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 77.1 | 12 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | G120 K146 | G84-G120 PolarHBondContact N-O 3.19Å; G84-G120 VanDerWaalsContact N-O 3.11Å; G84-K146 VanDerWaalsContact C-NZ 3.34Å; G84-K146 WeakPolarHBondContact O-CD 3.13Å; G84-K146 WeakPolarHBondContact O-CG 3.19Å; G84-K146 PolarHBondContact O-NZ 2.83Å |
| 85 | L | 87.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -60.4 | 151.3 | 176.9 | -63.8 | 163.5 | 0 | 0 | 0 | 111.6 | I82 G83 T89 L94 L109 G120 K146 I148 | I82-L85 HydrophobicContact CB-CD1 4.24Å; I82-L85 HydrophobicContact CG2-CD1 4.13Å; I82-L85 HydrophobicContact CG2-CD2 3.74Å; I82-L85 HydrophobicContact CG2-CG 3.94Å; G83-L85 VanDerWaalsContact C-N 3.3Å; G83-L85 PolarHBondContact O-N 3.35Å; L85-T89 HydrophobicContact CD2-CG2 3.98Å; L85-L94 HydrophobicContact CD1-CD1 3.83Å; L85-L94 HydrophobicContact CD1-CD2 4.24Å; L85-L94 HydrophobicContact CD1-CG 4.45Å; L85-L94 HydrophobicContact CD2-CD1 4.31Å; L85-L94 HydrophobicContact CD2-CD2 3.96Å; L85-L94 HydrophobicContact CD2-CG 4.14Å; L85-L109 HydrophobicContact CD1-CD2 3.69Å; L85-G120 PolarHBondContact N-O 3.48Å; L85-G120 WeakPolarHBondContact O-CA 3.28Å; L85-K146 PolarHBondContact O-NZ 2.99Å; L85-I148 HydrophobicContact CD2-CG2 3.73Å; L85-I148 HydrophobicContact CG-CG2 4.44Å | ||
| 86 | S | 87 | Confident | 83.9 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 16% | 0.161 | 27% | 0.274 | C | S | . | . | trans | -71.6 | 152.3 | 170.7 | -169.9 | 0 | 0 | 0 | 0 | 110.2 | D88 T89 | S86-D88 PolarHBondContact O-N 3.06Å; S86-T89 WeakPolarHBondContact CA-OG1 3.47Å; S86-T89 WeakPolarHBondContact CB-OG1 3.44Å; S86-T89 PolarHBondContact N-OG1 3.49Å; S86-T89 VanDerWaalsContact O-CB 3.23Å; S86-T89 WeakPolarHBondContact O-CB 3.49Å; S86-T89 PolarHBondContact O-N 3.37Å; S86-T89 PolarHBondContact O-OG1 3.27Å | ||
| 87 | W | 85.3 | Confident | 85.2 | Confident | 157 Ų | 157 | 55.1 Ų | 55.1 | 60% | 0.595 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -28 | 178.9 | -60.2 | -34.1 | 0 | 0 | 0 | 112.7 | T89 R117 S118 | W87-T89 VanDerWaalsContact C-N 3.29Å; W87-R117 HydrophobicContact CB-CG 4.39Å; W87-R117 HydrophobicContact CG-CG 4.45Å; W87-S118 VanDerWaalsContact O-CB 3.29Å; W87-S118 WeakPolarHBondContact O-CB 3.3Å |
| 88 | D | 84.4 | Confident | 86.2 | Confident | 131 Ų | 131 | 48.7 Ų | 48.7 | 70% | 0.701 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 3.6 | 178.6 | -50.1 | -49.9 | 0 | 0 | 0 | 112.7 | S86 T90 | S86-D88 PolarHBondContact O-N 3.06Å; D88-T90 PolarHBondContact O-N 2.95Å |
| 89 | T | 84.4 | Confident | 86.9 | Confident | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | trans | -72.2 | 125.5 | 178.9 | -51 | 0 | 0 | 0 | 0 | 110.5 | L85 S86 W87 D93 L94 L109 L143 | L85-T89 HydrophobicContact CD2-CG2 3.98Å; S86-T89 WeakPolarHBondContact CA-OG1 3.47Å; S86-T89 WeakPolarHBondContact CB-OG1 3.44Å; S86-T89 PolarHBondContact N-OG1 3.49Å; S86-T89 VanDerWaalsContact O-CB 3.23Å; S86-T89 WeakPolarHBondContact O-CB 3.49Å; S86-T89 PolarHBondContact O-N 3.37Å; S86-T89 PolarHBondContact O-OG1 3.27Å; W87-T89 VanDerWaalsContact C-N 3.29Å; T89-D93 HydrophobicContact CG2-CB 4.31Å; T89-L94 HydrophobicContact CG2-CD1 4.04Å; T89-L94 HydrophobicContact CG2-CG 4.09Å; T89-L109 VanDerWaalsContact O-CD1 3.28Å; T89-L109 WeakPolarHBondContact O-CD1 3.39Å; T89-L143 HydrophobicContact CG2-CD2 3.42Å; T89-L143 VanDerWaalsContact CG2-CD2 3.42Å | ||
| 90 | T | 87.3 | Confident | 87.1 | Confident | 67 Ų | 67 | 58.2 Ų | 58.2 | 41% | 0.411 | 29% | 0.289 | S | S | . | . | trans | -99 | 166.2 | 177.9 | 69.3 | 0 | 0 | 0 | 0 | 112.5 | D88 K92 D93 L94 L109 | D88-T90 PolarHBondContact O-N 2.95Å; T90-K92 PolarHBondContact O-N 3.16Å; T90-D93 PolarHBondContact N-OD2 3.02Å; T90-D93 PolarHBondContact O-N 3.3Å; T90-D93 PolarHBondContact OG1-N 2.59Å; T90-D93 PolarHBondContact OG1-OD2 2.83Å; T90-L94 PolarHBondContact O-N 3.16Å; T90-L109 VanDerWaalsContact C-CD1 3.42Å | ||
| 91 | K | 87.1 | Confident | 87 | Confident | 87 Ų | 87 | 59.5 Ų | 59.5 | 38% | 0.378 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.8 | -35.9 | 175 | -177.6 | 176.1 | 172.2 | 152.2 | 0 | 110.8 | L94 K95 D106 C107 L109 | K91-L94 WeakPolarHBondContact O-CB 3.21Å; K91-K95 WeakPolarHBondContact O-CB 3.46Å; K91-K95 PolarHBondContact O-N 3.15Å; K91-D106 IonicContact NZ-OD1 2.7Å; K91-D106 PolarHBondContact NZ-OD1 2.76Å; K91-C107 WeakPolarHBondContact CD-O 3.26Å; K91-C107 WeakPolarHBondContact CE-O 3.27Å; K91-C107 WeakPolarHBondContact CE-SG 3.36Å; K91-C107 HydrophobicContact CG-CB 4.19Å; K91-C107 WeakPolarHBondContact CG-SG 3.46Å; K91-C107 PolarHBondContact NZ-O 3.43Å; K91-L109 HydrophobicContact CB-CD1 4.46Å; K91-L109 VanDerWaalsContact N-CD1 3.33Å |
| 92 | K | 88.6 | Confident | 86.9 | Confident | 143 Ų | 143 | 57.3 Ų | 57.3 | 62% | 0.622 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65 | -49.6 | 178.6 | -173.4 | 178.7 | 176.7 | -177.1 | 0 | 111.6 | T90 L94 K95 D96 | T90-K92 PolarHBondContact O-N 3.16Å; K92-L94 VanDerWaalsContact C-N 3.27Å; K92-L94 PolarHBondContact O-N 3.02Å; K92-K95 PolarHBondContact O-N 3.27Å; K92-K95 VanDerWaalsContact O-N 3.07Å; K92-D96 WeakPolarHBondContact CG-OD2 3.38Å; K92-D96 WeakPolarHBondContact O-CB 3.3Å; K92-D96 VanDerWaalsContact O-CG 3.25Å; K92-D96 PolarHBondContact O-N 3.31Å |
| 93 | D | 88.1 | Confident | 86.9 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.2 | -40.4 | 179.7 | -52 | -42.1 | 0 | 0 | 0 | 111.9 | T89 T90 Y97 L143 | T89-D93 HydrophobicContact CG2-CB 4.31Å; T90-D93 PolarHBondContact N-OD2 3.02Å; T90-D93 PolarHBondContact O-N 3.3Å; T90-D93 PolarHBondContact OG1-N 2.59Å; T90-D93 PolarHBondContact OG1-OD2 2.83Å; D93-Y97 VanDerWaalsContact O-CB 3.26Å; D93-Y97 WeakPolarHBondContact O-CB 3.35Å; D93-Y97 PolarHBondContact O-N 2.83Å; D93-L143 HydrophobicContact CB-CD2 4.37Å |
| 94 | L | 87.1 | Confident | 86.9 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.5 | -51.8 | 172.7 | -96.1 | 151.8 | 0 | 0 | 0 | 111.4 | I82 L85 T89 T90 K91 K92 D96 Y97 F98 L109 V124 | I82-L94 HydrophobicContact CB-CD2 4.33Å; I82-L94 HydrophobicContact CG1-CD2 4.15Å; I82-L94 HydrophobicContact CG2-CD2 4.21Å; L85-L94 HydrophobicContact CD1-CD1 3.83Å; L85-L94 HydrophobicContact CD1-CD2 4.24Å; L85-L94 HydrophobicContact CD1-CG 4.45Å; L85-L94 HydrophobicContact CD2-CD1 4.31Å; L85-L94 HydrophobicContact CD2-CD2 3.96Å; L85-L94 HydrophobicContact CD2-CG 4.14Å; T89-L94 HydrophobicContact CG2-CD1 4.04Å; T89-L94 HydrophobicContact CG2-CG 4.09Å; T90-L94 PolarHBondContact O-N 3.16Å; K91-L94 WeakPolarHBondContact O-CB 3.21Å; K92-L94 VanDerWaalsContact C-N 3.27Å; K92-L94 PolarHBondContact O-N 3.02Å; L94-D96 PolarHBondContact O-N 3.38Å; L94-Y97 PolarHBondContact O-N 3.07Å; L94-F98 HydrophobicContact CD2-CD2 3.74Å; L94-F98 HydrophobicContact CD2-CE2 3.5Å; L94-F98 VanDerWaalsContact CD2-CE2 3.5Å; L94-F98 WeakPolarHBondContact O-CB 3.4Å; L94-F98 VanDerWaalsContact O-CD2 3.24Å; L94-F98 WeakPolarHBondContact O-CD2 3.48Å; L94-F98 PolarHBondContact O-N 2.84Å; L94-L109 HydrophobicContact CD1-CD1 3.95Å; L94-L109 HydrophobicContact CD1-CD2 3.2Å; L94-L109 HydrophobicContact CD1-CG 3.6Å; L94-V124 HydrophobicContact CD2-CG2 3.89Å |
| 95 | K | 87.9 | Confident | 87 | Confident | 100 Ų | 100 | 65.5 Ų | 65.5 | 44% | 0.435 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 179.9 | -168.2 | 175.6 | -178.9 | 176.5 | 0 | 111 | K91 K92 Y97 F98 S99 V104 | K91-K95 WeakPolarHBondContact O-CB 3.46Å; K91-K95 PolarHBondContact O-N 3.15Å; K92-K95 PolarHBondContact O-N 3.27Å; K92-K95 VanDerWaalsContact O-N 3.07Å; K95-Y97 VanDerWaalsContact C-N 3.32Å; K95-Y97 PolarHBondContact O-N 3.26Å; K95-F98 PolarHBondContact O-N 2.76Å; K95-S99 WeakPolarHBondContact O-CB 3.44Å; K95-S99 PolarHBondContact O-N 3.12Å; K95-V104 HydrophobicContact CG-CB 4.28Å; K95-V104 HydrophobicContact CG-CG1 4.37Å |
| 96 | D | 89.1 | Confident | 86.8 | Confident | 88 Ų | 88 | 66.6 Ų | 66.6 | 47% | 0.471 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.8 | -37.7 | -178.1 | -66.8 | -13.3 | 0 | 0 | 0 | 111.7 | K92 L94 | K92-D96 WeakPolarHBondContact CG-OD2 3.38Å; K92-D96 WeakPolarHBondContact O-CB 3.3Å; K92-D96 VanDerWaalsContact O-CG 3.25Å; K92-D96 PolarHBondContact O-N 3.31Å; L94-D96 PolarHBondContact O-N 3.38Å |
| 97 | Y | 87.7 | Confident | 86.7 | Confident | 39 Ų | 39 | 65.6 Ų | 65.6 | 15% | 0.153 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.5 | -49.1 | 176.1 | -176.1 | -94.6 | 0 | 0 | 0 | 112.3 | D93 L94 K95 S99 K100 F101 H141 K142 L143 I148 | D93-Y97 VanDerWaalsContact O-CB 3.26Å; D93-Y97 WeakPolarHBondContact O-CB 3.35Å; D93-Y97 PolarHBondContact O-N 2.83Å; L94-Y97 PolarHBondContact O-N 3.07Å; K95-Y97 VanDerWaalsContact C-N 3.32Å; K95-Y97 PolarHBondContact O-N 3.26Å; Y97-S99 VanDerWaalsContact C-N 3.32Å; Y97-S99 PolarHBondContact O-N 2.96Å; Y97-K100 WeakPolarHBondContact O-CB 3.49Å; Y97-K100 WeakPolarHBondContact O-CG 3.44Å; Y97-K100 PolarHBondContact O-N 3.36Å; Y97-F101 HydrophobicContact CD1-CE2 4.33Å; Y97-F101 AromaticContact CE1-CE2 3.9Å; Y97-F101 HydrophobicContact CE1-CE2 3.9Å; Y97-H141 HydrophobicContact CE1-CB 4.18Å; Y97-H141 AromaticContact CE1-ND1 3.86Å; Y97-H141 AromaticContact CZ-ND1 3.97Å; Y97-H141 WeakPolarHBondContact OH-CA 3.28Å; Y97-H141 VanDerWaalsContact OH-CB 3.28Å; Y97-H141 WeakPolarHBondContact OH-CB 2.86Å; Y97-H141 PolarHBondContact OH-ND1 2.88Å; Y97-K142 WeakPolarHBondContact CE2-O 3.38Å; Y97-K142 PolarHBondContact OH-N 3.31Å; Y97-L143 HydrophobicContact CD1-CD1 4.09Å; Y97-L143 HydrophobicContact CD2-CD1 4.25Å; Y97-L143 HydrophobicContact CG-CD1 3.71Å; Y97-I148 HydrophobicContact CD1-CD1 4.22Å; Y97-I148 HydrophobicContact CE1-CD1 3.86Å |
| 98 | F | 86.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -75 | -22.1 | -176.9 | -78.1 | -68.5 | 0 | 0 | 0 | 113.1 | I82 L94 K95 K100 F101 G102 V104 V124 F126 V135 I148 | I82-F98 HydrophobicContact CD1-CE1 3.91Å; I82-F98 HydrophobicContact CD1-CE2 3.83Å; I82-F98 HydrophobicContact CD1-CZ 3.37Å; I82-F98 HydrophobicContact CG1-CE2 3.83Å; I82-F98 HydrophobicContact CG1-CZ 3.88Å; I82-F98 HydrophobicContact CG2-CE2 3.99Å; I82-F98 HydrophobicContact CG2-CZ 3.96Å; L94-F98 HydrophobicContact CD2-CD2 3.74Å; L94-F98 HydrophobicContact CD2-CE2 3.5Å; L94-F98 VanDerWaalsContact CD2-CE2 3.5Å; L94-F98 WeakPolarHBondContact O-CB 3.4Å; L94-F98 VanDerWaalsContact O-CD2 3.24Å; L94-F98 WeakPolarHBondContact O-CD2 3.48Å; L94-F98 PolarHBondContact O-N 2.84Å; K95-F98 PolarHBondContact O-N 2.76Å; F98-K100 PolarHBondContact O-N 3.32Å; F98-F101 HydrophobicContact CD1-CD2 4.37Å; F98-F101 PolarHBondContact O-N 2.82Å; F98-G102 PolarHBondContact O-N 3.31Å; F98-V104 HydrophobicContact CB-CG2 3.72Å; F98-V124 HydrophobicContact CB-CG1 4.34Å; F98-V124 HydrophobicContact CD2-CG2 3.99Å; F98-V124 HydrophobicContact CE2-CG2 4.35Å; F98-V124 HydrophobicContact CG-CG1 4.46Å; F98-F126 HydrophobicContact CB-CE1 4.15Å; F98-F126 HydrophobicContact CB-CZ 3.76Å; F98-F126 HydrophobicContact CD1-CE2 4.36Å; F98-F126 AromaticContact CD1-CZ 3.75Å; F98-F126 HydrophobicContact CD1-CZ 3.75Å; F98-F126 HydrophobicContact CG-CZ 4.08Å; F98-V135 HydrophobicContact CD1-CG2 3.95Å; F98-V135 HydrophobicContact CE1-CG1 3.85Å; F98-V135 HydrophobicContact CE1-CG2 4.09Å; F98-I148 HydrophobicContact CE2-CD1 4Å; F98-I148 HydrophobicContact CZ-CD1 3.63Å |
| 99 | S | 87.8 | Confident | 86.9 | Confident | 70 Ų | 70 | 54.8 Ų | 54.8 | 49% | 0.49 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -15.5 | 172.8 | -167 | 0 | 0 | 0 | 0 | 113.6 | K95 Y97 F101 G102 | K95-S99 WeakPolarHBondContact O-CB 3.44Å; K95-S99 PolarHBondContact O-N 3.12Å; Y97-S99 VanDerWaalsContact C-N 3.32Å; Y97-S99 PolarHBondContact O-N 2.96Å; S99-F101 VanDerWaalsContact C-N 3.31Å; S99-G102 VanDerWaalsContact CA-O 3.3Å; S99-G102 WeakPolarHBondContact CA-O 3.49Å |
| 100 | K | 87.4 | Confident | 86.9 | Confident | 161 Ų | 161 | 58.7 Ų | 58.7 | 70% | 0.7 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -23.3 | 174 | -61.9 | 178.2 | -177.4 | 178.9 | 0 | 113.4 | Y97 F98 | Y97-K100 WeakPolarHBondContact O-CB 3.49Å; Y97-K100 WeakPolarHBondContact O-CG 3.44Å; Y97-K100 PolarHBondContact O-N 3.36Å; F98-K100 PolarHBondContact O-N 3.32Å |
| 101 | F | 84.9 | Confident | 86.9 | Confident | 27 Ų | 27 | 59.9 Ų | 59.9 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -26 | -176.7 | -60.1 | -81.8 | 0 | 0 | 0 | 112 | Y97 F98 S99 K134 V135 Q138 H141 | Y97-F101 HydrophobicContact CD1-CE2 4.33Å; Y97-F101 AromaticContact CE1-CE2 3.9Å; Y97-F101 HydrophobicContact CE1-CE2 3.9Å; F98-F101 HydrophobicContact CD1-CD2 4.37Å; F98-F101 PolarHBondContact O-N 2.82Å; S99-F101 VanDerWaalsContact C-N 3.31Å; F101-K134 HydrophobicContact CD1-CB 4.45Å; F101-V135 HydrophobicContact CB-CG2 3.56Å; F101-V135 HydrophobicContact CD1-CG2 4.09Å; F101-V135 HydrophobicContact CD2-CG2 3.99Å; F101-V135 HydrophobicContact CG-CG2 3.59Å; F101-Q138 HydrophobicContact CE1-CG 3.97Å; F101-Q138 VanDerWaalsContact CE1-NE2 3.29Å; F101-Q138 VanDerWaalsContact CZ-CD 3.49Å; F101-H141 AromaticContact CZ-CE1 3.93Å; F101-H141 AromaticContact CZ-ND1 3.97Å |
| 102 | G | 85.5 | Confident | 86.7 | Confident | 18 Ų | 18 | 58.3 Ų | 58.3 | 19% | 0.186 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 172.6 | -179.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | F98 S99 V104 S131 | F98-G102 PolarHBondContact O-N 3.31Å; S99-G102 VanDerWaalsContact CA-O 3.3Å; S99-G102 WeakPolarHBondContact CA-O 3.49Å; G102-V104 PolarHBondContact O-N 2.82Å; G102-S131 WeakPolarHBondContact CA-OG 3.5Å |
| 103 | E | 87.3 | Confident | 86.2 | Confident | 114 Ų | 114 | 57.4 Ų | 57.4 | 53% | 0.533 | 30% | 0.303 | S | S | . | . | trans | -70.9 | 115.2 | -177.2 | -166.5 | -178.6 | 152.7 | 0 | 0 | 110.7 | F126 K127 | E103-F126 WeakPolarHBondContact O-CA 3.35Å; E103-K127 HydrophobicContact CB-CB 4.18Å; E103-K127 HydrophobicContact CB-CD 4.3Å; E103-K127 VanDerWaalsContact CD-NZ 3.27Å; E103-K127 HydrophobicContact CG-CD 4.21Å; E103-K127 PolarHBondContact O-N 3.07Å; E103-K127 WeakPolarHBondContact OE1-CD 3.35Å; E103-K127 IonicContact OE1-NZ 3.04Å; E103-K127 PolarHBondContact OE1-NZ 2.83Å; E103-K127 WeakPolarHBondContact OE2-CD 3.25Å; E103-K127 IonicContact OE2-NZ 2.78Å; E103-K127 PolarHBondContact OE2-NZ 3.23Å | ||
| 104 | V | 88.7 | Confident | 85.7 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 113.5 | 176.9 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | K95 F98 G102 D106 C107 V124 L125 F126 | K95-V104 HydrophobicContact CG-CB 4.28Å; K95-V104 HydrophobicContact CG-CG1 4.37Å; F98-V104 HydrophobicContact CB-CG2 3.72Å; G102-V104 PolarHBondContact O-N 2.82Å; V104-D106 WeakPolarHBondContact CG1-O 3.38Å; V104-C107 HydrophobicContact CG1-CB 4.37Å; V104-V124 HydrophobicContact CB-CG1 4.48Å; V104-V124 HydrophobicContact CG1-CG1 3.7Å; V104-V124 HydrophobicContact CG2-CG1 3.99Å; V104-L125 CarbonylContact C-O 3.57Å; V104-F126 HydrophobicContact CG2-CD1 4.01Å; V104-F126 HydrophobicContact CG2-CE1 3.64Å; V104-F126 HydrophobicContact CG2-CZ 4.3Å |
| 105 | V | 87 | Confident | 85.5 | Confident | 83 Ų | 83 | 66.7 Ų | 66.7 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | -50.5 | 177.2 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | L125 K127 | V105-L125 HydrophobicContact CB-CD2 4.23Å; V105-L125 HydrophobicContact CB-CG 4.22Å; V105-L125 HydrophobicContact CG1-CD2 4.12Å; V105-L125 PolarHBondContact N-O 2.76Å; V105-K127 VanDerWaalsContact CG2-CA 3.49Å; V105-K127 HydrophobicContact CG2-CB 3.58Å; V105-K127 HydrophobicContact CG2-CG 4.2Å |
| 106 | D | 83.6 | Confident | 85.1 | Confident | 23 Ų | 23 | 64.3 Ų | 64.3 | 12% | 0.123 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 156.1 | 176.3 | -172.6 | 40.7 | 0 | 0 | 0 | 112.2 | I68 K91 V104 T108 V124 L125 | I68-D106 HydrophobicContact CG2-CB 4.26Å; I68-D106 WeakPolarHBondContact CG2-OD2 3.24Å; K91-D106 IonicContact NZ-OD1 2.7Å; K91-D106 PolarHBondContact NZ-OD1 2.76Å; V104-D106 WeakPolarHBondContact CG1-O 3.38Å; D106-T108 PolarHBondContact OD2-OG1 2.92Å; D106-V124 CarbonylContact O-C 3.59Å; D106-L125 HydrophobicContact CB-CB 4.33Å; D106-L125 PolarHBondContact N-O 2.97Å; D106-L125 PolarHBondContact O-N 3.21Å |
| 107 | C | 85.6 | Confident | 84.7 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.014 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 132.2 | 170.3 | 39.7 | 0 | 0 | 0 | 0 | 110 | K91 V104 F123 V124 | K91-C107 WeakPolarHBondContact CD-O 3.26Å; K91-C107 WeakPolarHBondContact CE-O 3.27Å; K91-C107 WeakPolarHBondContact CE-SG 3.36Å; K91-C107 HydrophobicContact CG-CB 4.19Å; K91-C107 WeakPolarHBondContact CG-SG 3.46Å; K91-C107 PolarHBondContact NZ-O 3.43Å; V104-C107 HydrophobicContact CG1-CB 4.37Å; C107-F123 CarbonylContact C-O 3.53Å; C107-F123 WeakPolarHBondContact CA-O 3.41Å; C107-V124 HydrophobicContact CB-CG2 4.21Å |
| 108 | T | 85.6 | Confident | 84.5 | Confident | 30 Ų | 30 | 65.7 Ų | 65.7 | 18% | 0.184 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 117.6 | -177.9 | -72.8 | 0 | 0 | 0 | 0 | 109.4 | I68 D106 K110 G122 F123 | I68-T108 HydrophobicContact CD1-CG2 4.19Å; D106-T108 PolarHBondContact OD2-OG1 2.92Å; T108-K110 HydrophobicContact CG2-CD 4.49Å; T108-G122 CarbonylContact O-C 3.51Å; T108-G122 VanDerWaalsContact O-CA 3.23Å; T108-G122 WeakPolarHBondContact O-CA 3.12Å; T108-F123 PolarHBondContact N-O 3.34Å; T108-F123 PolarHBondContact O-N 3.39Å |
| 109 | L | 88.3 | Confident | 84.4 | Confident | 31 Ų | 31 | 72.9 Ų | 72.9 | 16% | 0.162 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 136.1 | 171.2 | -79.4 | 173.3 | 0 | 0 | 0 | 110.5 | L85 T89 T90 K91 L94 L111 | L85-L109 HydrophobicContact CD1-CD2 3.69Å; T89-L109 VanDerWaalsContact O-CD1 3.28Å; T89-L109 WeakPolarHBondContact O-CD1 3.39Å; T90-L109 VanDerWaalsContact C-CD1 3.42Å; K91-L109 HydrophobicContact CB-CD1 4.46Å; K91-L109 VanDerWaalsContact N-CD1 3.33Å; L94-L109 HydrophobicContact CD1-CD1 3.95Å; L94-L109 HydrophobicContact CD1-CD2 3.2Å; L94-L109 HydrophobicContact CD1-CG 3.6Å; L109-L111 HydrophobicContact CB-CD2 4.32Å; L109-L111 PolarHBondContact O-N 3.38Å |
| 110 | K | 84.9 | Confident | 84.2 | Confident | 88 Ų | 88 | 70 Ų | 70 | 38% | 0.383 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 104.6 | 170.9 | -66.1 | -56.4 | -173.3 | -174.4 | 0 | 108.8 | T108 R119 F121 F123 | T108-K110 HydrophobicContact CG2-CD 4.49Å; K110-R119 VanDerWaalsContact O-CB 3.22Å; K110-R119 WeakPolarHBondContact O-CB 3.4Å; K110-R119 WeakPolarHBondContact O-CG 3.16Å; K110-R119 PolarHBondContact O-N 3.49Å; K110-F121 HydrophobicContact CB-CD2 4.05Å; K110-F121 HydrophobicContact CB-CE2 3.55Å; K110-F121 HydrophobicContact CB-CZ 3.8Å; K110-F121 HydrophobicContact CG-CD2 4.13Å; K110-F121 HydrophobicContact CG-CE2 3.55Å; K110-F121 HydrophobicContact CG-CZ 4.2Å; K110-F121 PolarHBondContact N-O 3.34Å; K110-F123 HydrophobicContact CG-CD2 4.46Å; K110-F123 HydrophobicContact CG-CE2 4.18Å |
| 111 | L | 86.4 | Confident | 84.2 | Confident | 92 Ų | 92 | 64.5 Ų | 64.5 | 48% | 0.482 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 152.7 | 172 | -49.9 | 174.3 | 0 | 0 | 0 | 109.2 | L109 R117 | L109-L111 HydrophobicContact CB-CD2 4.32Å; L109-L111 PolarHBondContact O-N 3.38Å; L111-R117 CarbonylContact C-O 3.51Å; L111-R117 WeakPolarHBondContact CA-O 3.45Å |
| 112 | D | 82.6 | Confident | 84.4 | Confident | 53 Ų | 53 | 63.2 Ų | 63.2 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | trans | -68.9 | 123.3 | 169.8 | 177.5 | 0.7 | 0 | 0 | 0 | 108.9 | I114 T115 G116 R117 R119 | D112-I114 PolarHBondContact O-N 2.64Å; D112-I114 PolarHBondContact OD1-N 2.74Å; D112-I114 VanDerWaalsContact OD1-N 3.07Å; D112-T115 WeakPolarHBondContact CB-OG1 3.44Å; D112-T115 VanDerWaalsContact CG-OG1 3.27Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.3Å; D112-T115 PolarHBondContact OD2-OG1 3.48Å; D112-G116 VanDerWaalsContact O-CA 3.23Å; D112-G116 WeakPolarHBondContact O-CA 3.26Å; D112-G116 PolarHBondContact O-N 3Å; D112-R117 WeakPolarHBondContact CB-O 3.45Å; D112-R117 PolarHBondContact N-O 2.97Å; D112-R119 HydrophobicContact CB-CG 4.36Å | ||
| 113 | P | 77.9 | Confident | 84.6 | Confident | 125 Ų | 125 | 64.2 Ų | 64.2 | 81% | 0.812 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.2 | -177.8 | 26.2 | -35.7 | 0 | 0 | 0 | 113.9 | ||
| 114 | I | 78.8 | Confident | 84.7 | Confident | 154 Ų | 154 | 58.8 Ų | 58.8 | 79% | 0.79 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -47.8 | -177.4 | -56.4 | 175.8 | 0 | 0 | 0 | 110.7 | D112 | D112-I114 PolarHBondContact O-N 2.64Å; D112-I114 PolarHBondContact OD1-N 2.74Å; D112-I114 VanDerWaalsContact OD1-N 3.07Å |
| 115 | T | 82.7 | Confident | 84.6 | Confident | 93 Ų | 93 | 59 Ų | 59 | 57% | 0.571 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -10.8 | -174 | 64.7 | 0 | 0 | 0 | 0 | 113.7 | D112 R117 | D112-T115 WeakPolarHBondContact CB-OG1 3.44Å; D112-T115 VanDerWaalsContact CG-OG1 3.27Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.3Å; D112-T115 PolarHBondContact OD2-OG1 3.48Å; T115-R117 PolarHBondContact O-N 3.31Å; T115-R117 WeakPolarHBondContact OG1-CB 3.48Å; T115-R117 PolarHBondContact OG1-N 2.91Å |
| 116 | G | 79.3 | Confident | 84.7 | Confident | 50 Ų | 50 | 55.3 Ų | 55.3 | 52% | 0.515 | 29% | 0.289 | S | S | . | . | trans | 66.5 | -1.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114 | D112 | D112-G116 VanDerWaalsContact O-CA 3.23Å; D112-G116 WeakPolarHBondContact O-CA 3.26Å; D112-G116 PolarHBondContact O-N 3Å | ||
| 117 | R | 79.7 | Confident | 84.9 | Confident | 148 Ų | 148 | 59.9 Ų | 59.9 | 56% | 0.558 | 31% | 0.308 | S | S | * | . | trans | -73 | 140.5 | -177.4 | -173.9 | 176.7 | -75.8 | -171.8 | -3 | 110.3 | W87 L111 D112 T115 R119 | W87-R117 HydrophobicContact CB-CG 4.39Å; W87-R117 HydrophobicContact CG-CG 4.45Å; L111-R117 CarbonylContact C-O 3.51Å; L111-R117 WeakPolarHBondContact CA-O 3.45Å; D112-R117 WeakPolarHBondContact CB-O 3.45Å; D112-R117 PolarHBondContact N-O 2.97Å; T115-R117 PolarHBondContact O-N 3.31Å; T115-R117 WeakPolarHBondContact OG1-CB 3.48Å; T115-R117 PolarHBondContact OG1-N 2.91Å; R117-R119 PolarHBondContact O-N 2.83Å | ||
| 118 | S | 85.1 | Confident | 84.8 | Confident | 7 Ų | 7 | 65 Ų | 65 | 5% | 0.049 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 131.9 | 174.2 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | W87 G120 | W87-S118 VanDerWaalsContact O-CB 3.29Å; W87-S118 WeakPolarHBondContact O-CB 3.3Å; S118-G120 PolarHBondContact O-N 3.05Å; S118-G120 VanDerWaalsContact O-N 3.14Å; S118-G120 PolarHBondContact OG-N 3.42Å |
| 119 | R | 82.8 | Confident | 84.7 | Confident | 152 Ų | 152 | 65.8 Ų | 65.8 | 57% | 0.574 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 3.1 | 175.8 | -60 | 177.2 | 62.4 | -176.6 | -2.9 | 112.3 | K110 D112 R117 F121 | K110-R119 VanDerWaalsContact O-CB 3.22Å; K110-R119 WeakPolarHBondContact O-CB 3.4Å; K110-R119 WeakPolarHBondContact O-CG 3.16Å; K110-R119 PolarHBondContact O-N 3.49Å; D112-R119 HydrophobicContact CB-CG 4.36Å; R117-R119 PolarHBondContact O-N 2.83Å; R119-F121 VanDerWaalsContact C-N 3.29Å; R119-F121 HydrophobicContact CB-CD1 3.72Å; R119-F121 HydrophobicContact CB-CE1 3.38Å; R119-F121 HydrophobicContact CB-CZ 4.2Å; R119-F121 HydrophobicContact CG-CE1 4.32Å; R119-F121 WeakPolarHBondContact O-CD1 3.3Å; R119-F121 PolarHBondContact O-N 3.19Å |
| 120 | G | 84.5 | Confident | 84.6 | Confident | 9 Ų | 9 | 69.7 Ų | 69.7 | 9% | 0.093 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.9 | 18.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G84 L85 S118 | G84-G120 PolarHBondContact N-O 3.19Å; G84-G120 VanDerWaalsContact N-O 3.11Å; L85-G120 PolarHBondContact N-O 3.48Å; L85-G120 WeakPolarHBondContact O-CA 3.28Å; S118-G120 PolarHBondContact O-N 3.05Å; S118-G120 VanDerWaalsContact O-N 3.14Å; S118-G120 PolarHBondContact OG-N 3.42Å |
| 121 | F | 87.8 | Confident | 84.7 | Confident | 46 Ų | 46 | 65.6 Ų | 65.6 | 20% | 0.202 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 155.9 | 173.1 | 69 | -90.4 | 0 | 0 | 0 | 111.9 | F81 I82 K110 R119 | F81-F121 HydrophobicContact CE2-CB 3.87Å; F81-F121 AromaticContact CE2-CD2 3.7Å; F81-F121 HydrophobicContact CE2-CD2 3.7Å; F81-F121 HydrophobicContact CE2-CG 4.06Å; F81-F121 HydrophobicContact CZ-CB 3.81Å; F81-F121 HydrophobicContact CZ-CD2 4.4Å; F81-F121 HydrophobicContact CZ-CG 4.3Å; I82-F121 CarbonylContact O-C 3.59Å; I82-F121 WeakPolarHBondContact O-CA 3.43Å; K110-F121 HydrophobicContact CB-CD2 4.05Å; K110-F121 HydrophobicContact CB-CE2 3.55Å; K110-F121 HydrophobicContact CB-CZ 3.8Å; K110-F121 HydrophobicContact CG-CD2 4.13Å; K110-F121 HydrophobicContact CG-CE2 3.55Å; K110-F121 HydrophobicContact CG-CZ 4.2Å; K110-F121 PolarHBondContact N-O 3.34Å; R119-F121 VanDerWaalsContact C-N 3.29Å; R119-F121 HydrophobicContact CB-CD1 3.72Å; R119-F121 HydrophobicContact CB-CE1 3.38Å; R119-F121 HydrophobicContact CB-CZ 4.2Å; R119-F121 HydrophobicContact CG-CE1 4.32Å; R119-F121 WeakPolarHBondContact O-CD1 3.3Å; R119-F121 PolarHBondContact O-N 3.19Å |
| 122 | G | 89.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | -179.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I82 T108 | I82-G122 PolarHBondContact N-O 3.13Å; I82-G122 PolarHBondContact O-N 3.35Å; T108-G122 CarbonylContact O-C 3.51Å; T108-G122 VanDerWaalsContact O-CA 3.23Å; T108-G122 WeakPolarHBondContact O-CA 3.12Å |
| 123 | F | 89.7 | Confident | 84.7 | Confident | 38 Ų | 38 | 61.7 Ų | 61.7 | 17% | 0.167 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.6 | 174.6 | -62.2 | -87.1 | 0 | 0 | 0 | 109.1 | I68 M80 F81 C107 T108 K110 A153 | I68-F123 HydrophobicContact CD1-CB 4.27Å; M80-F123 CarbonylContact O-C 3.59Å; M80-F123 VanDerWaalsContact O-CA 3.23Å; M80-F123 WeakPolarHBondContact O-CA 3.48Å; F81-F123 HydrophobicContact CB-CD1 4.37Å; F81-F123 HydrophobicContact CB-CE1 4.23Å; F81-F123 HydrophobicContact CD2-CD1 4.38Å; F81-F123 AromaticContact CD2-CE1 3.79Å; F81-F123 HydrophobicContact CD2-CE1 3.79Å; F81-F123 AromaticContact CD2-CZ 3.96Å; F81-F123 HydrophobicContact CD2-CZ 3.96Å; C107-F123 CarbonylContact C-O 3.53Å; C107-F123 WeakPolarHBondContact CA-O 3.41Å; T108-F123 PolarHBondContact N-O 3.34Å; T108-F123 PolarHBondContact O-N 3.39Å; K110-F123 HydrophobicContact CG-CD2 4.46Å; K110-F123 HydrophobicContact CG-CE2 4.18Å; F123-A153 HydrophobicContact CD1-CB 4.35Å |
| 124 | V | 88.3 | Confident | 85.1 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 135.4 | 174.3 | 177.7 | 0 | 0 | 0 | 0 | 107 | K79 M80 I82 L94 F98 V104 D106 C107 F126 | K79-V124 CarbonylContact C-O 3.58Å; K79-V124 WeakPolarHBondContact CA-O 3.15Å; M80-V124 PolarHBondContact N-O 3.04Å; M80-V124 PolarHBondContact O-N 2.98Å; I82-V124 HydrophobicContact CD1-CG2 4.29Å; I82-V124 HydrophobicContact CG1-CB 4.3Å; I82-V124 HydrophobicContact CG1-CG2 3.63Å; L94-V124 HydrophobicContact CD2-CG2 3.89Å; F98-V124 HydrophobicContact CB-CG1 4.34Å; F98-V124 HydrophobicContact CD2-CG2 3.99Å; F98-V124 HydrophobicContact CE2-CG2 4.35Å; F98-V124 HydrophobicContact CG-CG1 4.46Å; V104-V124 HydrophobicContact CB-CG1 4.48Å; V104-V124 HydrophobicContact CG1-CG1 3.7Å; V104-V124 HydrophobicContact CG2-CG1 3.99Å; D106-V124 CarbonylContact O-C 3.59Å; C107-V124 HydrophobicContact CB-CG2 4.21Å; V124-F126 HydrophobicContact CG1-CD2 4.24Å; V124-F126 HydrophobicContact CG1-CE2 3.9Å; V124-F126 HydrophobicContact CG1-CZ 4.12Å |
| 125 | L | 87.5 | Confident | 85.4 | Confident | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.068 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 116.9 | 175.1 | -179.7 | 65.5 | 0 | 0 | 0 | 107.8 | I68 E75 K79 V104 V105 D106 | I68-L125 HydrophobicContact CG2-CD2 4.38Å; E75-L125 HydrophobicContact CB-CD1 4.22Å; E75-L125 WeakPolarHBondContact O-CD1 3.5Å; K79-L125 HydrophobicContact CB-CD1 4.09Å; V104-L125 CarbonylContact C-O 3.57Å; V105-L125 HydrophobicContact CB-CD2 4.23Å; V105-L125 HydrophobicContact CB-CG 4.22Å; V105-L125 HydrophobicContact CG1-CD2 4.12Å; V105-L125 PolarHBondContact N-O 2.76Å; D106-L125 HydrophobicContact CB-CB 4.33Å; D106-L125 PolarHBondContact N-O 2.97Å; D106-L125 PolarHBondContact O-N 3.21Å |
| 126 | F | 88.5 | Confident | 85.5 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 152.9 | 171.5 | -72.1 | -79.4 | 0 | 0 | 0 | 110.9 | G78 M80 F98 E103 V104 V124 E128 S131 V132 V135 | G78-F126 PolarHBondContact O-N 3.41Å; M80-F126 HydrophobicContact CB-CE2 4.45Å; M80-F126 HydrophobicContact CG-CD2 4.22Å; M80-F126 HydrophobicContact CG-CE2 4.18Å; F98-F126 HydrophobicContact CB-CE1 4.15Å; F98-F126 HydrophobicContact CB-CZ 3.76Å; F98-F126 HydrophobicContact CD1-CE2 4.36Å; F98-F126 AromaticContact CD1-CZ 3.75Å; F98-F126 HydrophobicContact CD1-CZ 3.75Å; F98-F126 HydrophobicContact CG-CZ 4.08Å; E103-F126 WeakPolarHBondContact O-CA 3.35Å; V104-F126 HydrophobicContact CG2-CD1 4.01Å; V104-F126 HydrophobicContact CG2-CE1 3.64Å; V104-F126 HydrophobicContact CG2-CZ 4.3Å; V124-F126 HydrophobicContact CG1-CD2 4.24Å; V124-F126 HydrophobicContact CG1-CE2 3.9Å; V124-F126 HydrophobicContact CG1-CZ 4.12Å; F126-E128 WeakPolarHBondContact CB-O 3.28Å; F126-S131 VanDerWaalsContact CD1-CB 3.4Å; F126-V132 HydrophobicContact CB-CG2 4.4Å; F126-V132 HydrophobicContact CD2-CG2 3.76Å; F126-V132 HydrophobicContact CE2-CG2 4.5Å; F126-V132 HydrophobicContact CG-CG2 4.43Å; F126-V135 HydrophobicContact CE2-CG2 4.31Å; F126-V135 HydrophobicContact CZ-CG2 4.02Å |
| 127 | K | 86.8 | Confident | 85.8 | Confident | 120 Ų | 120 | 55.9 Ų | 55.9 | 52% | 0.522 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -71.4 | -35.9 | 173.6 | -170.9 | 174.5 | 177.7 | 177.3 | 0 | 112 | E103 V105 | E103-K127 HydrophobicContact CB-CB 4.18Å; E103-K127 HydrophobicContact CB-CD 4.3Å; E103-K127 VanDerWaalsContact CD-NZ 3.27Å; E103-K127 HydrophobicContact CG-CD 4.21Å; E103-K127 PolarHBondContact O-N 3.07Å; E103-K127 WeakPolarHBondContact OE1-CD 3.35Å; E103-K127 IonicContact OE1-NZ 3.04Å; E103-K127 PolarHBondContact OE1-NZ 2.83Å; E103-K127 WeakPolarHBondContact OE2-CD 3.25Å; E103-K127 IonicContact OE2-NZ 2.78Å; E103-K127 PolarHBondContact OE2-NZ 3.23Å; V105-K127 VanDerWaalsContact CG2-CA 3.49Å; V105-K127 HydrophobicContact CG2-CB 3.58Å; V105-K127 HydrophobicContact CG2-CG 4.2Å |
| 128 | E | 84.9 | Confident | 85.9 | Confident | 108 Ų | 108 | 52.9 Ų | 52.9 | 51% | 0.505 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -120.9 | 136.3 | -179.3 | -63.6 | -172 | 172.6 | 0 | 0 | 110.3 | F126 E130 S131 | F126-E128 WeakPolarHBondContact CB-O 3.28Å; E128-E130 PolarHBondContact O-N 2.78Å; E128-S131 VanDerWaalsContact O-CB 3.27Å; E128-S131 WeakPolarHBondContact O-CB 2.95Å; E128-S131 PolarHBondContact O-N 2.78Å; E128-S131 VanDerWaalsContact O-N 3.15Å; E128-S131 PolarHBondContact O-OG 2.99Å |
| 129 | S | 83.9 | Confident | 85.2 | Confident | 47 Ų | 47 | 62.4 Ų | 62.4 | 33% | 0.329 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -26.7 | 175.2 | 51.5 | 0 | 0 | 0 | 0 | 112.6 | S131 V132 D133 | S129-S131 PolarHBondContact O-N 2.78Å; S129-S131 VanDerWaalsContact O-N 3.16Å; S129-V132 WeakPolarHBondContact O-CA 3.23Å; S129-V132 WeakPolarHBondContact O-CB 3.46Å; S129-V132 PolarHBondContact O-N 3.04Å; S129-D133 PolarHBondContact O-N 3.21Å |
| 130 | E | 85.7 | Confident | 85.1 | Confident | 113 Ų | 113 | 61.2 Ų | 61.2 | 53% | 0.528 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.5 | -30.5 | 173.2 | -62.4 | -169.1 | 179.6 | 0 | 0 | 112.9 | E128 V132 D133 K134 | E128-E130 PolarHBondContact O-N 2.78Å; E130-V132 PolarHBondContact O-N 3.24Å; E130-D133 PolarHBondContact O-N 2.84Å; E130-K134 WeakPolarHBondContact O-CG 3.23Å; E130-K134 PolarHBondContact O-N 2.84Å; E130-K134 IonicContact OE2-NZ 3.66Å |
| 131 | S | 85.6 | Confident | 85.1 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.4 | -34.1 | 177.2 | -50.3 | 0 | 0 | 0 | 0 | 110.9 | G102 F126 E128 S129 V135 | G102-S131 WeakPolarHBondContact CA-OG 3.5Å; F126-S131 VanDerWaalsContact CD1-CB 3.4Å; E128-S131 VanDerWaalsContact O-CB 3.27Å; E128-S131 WeakPolarHBondContact O-CB 2.95Å; E128-S131 PolarHBondContact O-N 2.78Å; E128-S131 VanDerWaalsContact O-N 3.15Å; E128-S131 PolarHBondContact O-OG 2.99Å; S129-S131 PolarHBondContact O-N 2.78Å; S129-S131 VanDerWaalsContact O-N 3.16Å; S131-V135 VanDerWaalsContact O-CG2 3.3Å; S131-V135 WeakPolarHBondContact O-CG2 3.28Å; S131-V135 PolarHBondContact O-N 2.88Å; S131-V135 VanDerWaalsContact O-N 3.16Å |
| 132 | V | 83.5 | Confident | 84.9 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 175.5 | 172 | 0 | 0 | 0 | 0 | 110.8 | M80 F126 S129 E130 V135 M136 R152 | M80-V132 HydrophobicContact CE-CG1 3.93Å; M80-V132 HydrophobicContact CG-CB 4.14Å; M80-V132 HydrophobicContact CG-CG1 3.78Å; M80-V132 HydrophobicContact CG-CG2 3.56Å; M80-V132 HydrophobicContact SD-CB 4.28Å; M80-V132 HydrophobicContact SD-CG1 3.3Å; M80-V132 WeakPolarHBondContact SD-CG1 3.39Å; M80-V132 HydrophobicContact SD-CG2 4.28Å; F126-V132 HydrophobicContact CB-CG2 4.4Å; F126-V132 HydrophobicContact CD2-CG2 3.76Å; F126-V132 HydrophobicContact CE2-CG2 4.5Å; F126-V132 HydrophobicContact CG-CG2 4.43Å; S129-V132 WeakPolarHBondContact O-CA 3.23Å; S129-V132 WeakPolarHBondContact O-CB 3.46Å; S129-V132 PolarHBondContact O-N 3.04Å; E130-V132 PolarHBondContact O-N 3.24Å; V132-V135 PolarHBondContact O-N 2.83Å; V132-M136 HydrophobicContact CG1-CG 4.43Å; V132-M136 WeakPolarHBondContact O-CB 3.42Å; V132-M136 VanDerWaalsContact O-CG 3.26Å; V132-M136 WeakPolarHBondContact O-CG 3.17Å; V132-M136 PolarHBondContact O-N 3.07Å; V132-R152 HydrophobicContact CG1-CG 4.2Å |
| 133 | D | 85.6 | Confident | 84.6 | Confident | 62 Ų | 62 | 64.8 Ų | 64.8 | 33% | 0.332 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 177.2 | -63.2 | -39.8 | 0 | 0 | 0 | 111.3 | S129 E130 V135 M136 D137 R152 | S129-D133 PolarHBondContact O-N 3.21Å; E130-D133 PolarHBondContact O-N 2.84Å; D133-V135 VanDerWaalsContact C-N 3.28Å; D133-V135 PolarHBondContact O-N 3.34Å; D133-M136 CarbonylContact O-C 3.57Å; D133-M136 WeakPolarHBondContact O-CA 3.38Å; D133-M136 WeakPolarHBondContact O-CB 3.34Å; D133-M136 PolarHBondContact O-N 2.97Å; D133-D137 PolarHBondContact O-N 3.11Å; D133-R152 IonicContact OD1-CZ 3.48Å; D133-R152 IonicContact OD1-NH1 3.56Å; D133-R152 IonicContact OD1-NH2 2.64Å; D133-R152 PolarHBondContact OD1-NH2 2.78Å |
| 134 | K | 86.1 | Confident | 84.1 | Confident | 97 Ų | 97 | 67.1 Ų | 67.1 | 42% | 0.422 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.4 | -35.9 | 175.8 | -69.7 | 165.3 | -170.5 | 159.4 | 0 | 113 | F101 E130 | F101-K134 HydrophobicContact CD1-CB 4.45Å; E130-K134 WeakPolarHBondContact O-CG 3.23Å; E130-K134 PolarHBondContact O-N 2.84Å; E130-K134 IonicContact OE2-NZ 3.66Å |
| 135 | V | 85.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69 | -44.7 | 172.7 | 172 | 0 | 0 | 0 | 0 | 109.9 | M80 F98 F101 F126 S131 V132 D133 D137 Q138 H141 P150 | M80-V135 HydrophobicContact CE-CB 4.2Å; M80-V135 HydrophobicContact CE-CG1 3.73Å; F98-V135 HydrophobicContact CD1-CG2 3.95Å; F98-V135 HydrophobicContact CE1-CG1 3.85Å; F98-V135 HydrophobicContact CE1-CG2 4.09Å; F101-V135 HydrophobicContact CB-CG2 3.56Å; F101-V135 HydrophobicContact CD1-CG2 4.09Å; F101-V135 HydrophobicContact CD2-CG2 3.99Å; F101-V135 HydrophobicContact CG-CG2 3.59Å; F126-V135 HydrophobicContact CE2-CG2 4.31Å; F126-V135 HydrophobicContact CZ-CG2 4.02Å; S131-V135 VanDerWaalsContact O-CG2 3.3Å; S131-V135 WeakPolarHBondContact O-CG2 3.28Å; S131-V135 PolarHBondContact O-N 2.88Å; S131-V135 VanDerWaalsContact O-N 3.16Å; V132-V135 PolarHBondContact O-N 2.83Å; D133-V135 VanDerWaalsContact C-N 3.28Å; D133-V135 PolarHBondContact O-N 3.34Å; V135-D137 VanDerWaalsContact C-N 3.32Å; V135-D137 PolarHBondContact O-N 3.39Å; V135-Q138 WeakPolarHBondContact O-CB 3.32Å; V135-Q138 PolarHBondContact O-N 3.36Å; V135-Q138 VanDerWaalsContact O-N 3.13Å; V135-H141 WeakPolarHBondContact CG1-NE2 3.06Å; V135-H141 PolarHBondContact O-CE1 3.42Å; V135-H141 PolarHBondContact O-NE2 3.37Å; V135-P150 HydrophobicContact CG1-CB 3.57Å; V135-P150 HydrophobicContact CG1-CG 3.58Å |
| 136 | M | 84.8 | Confident | 83.4 | Confident | 66 Ų | 66 | 74.6 Ų | 74.6 | 33% | 0.325 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.8 | -34.1 | 179.1 | -75.8 | -79 | 160.3 | 0 | 0 | 114 | M80 V132 D133 Q138 P150 R152 | M80-M136 HydrophobicContact CE-CE 3.38Å; M80-M136 HydrophobicContact CE-CG 4.24Å; M80-M136 HydrophobicContact SD-CE 3.81Å; V132-M136 HydrophobicContact CG1-CG 4.43Å; V132-M136 WeakPolarHBondContact O-CB 3.42Å; V132-M136 VanDerWaalsContact O-CG 3.26Å; V132-M136 WeakPolarHBondContact O-CG 3.17Å; V132-M136 PolarHBondContact O-N 3.07Å; D133-M136 CarbonylContact O-C 3.57Å; D133-M136 WeakPolarHBondContact O-CA 3.38Å; D133-M136 WeakPolarHBondContact O-CB 3.34Å; D133-M136 PolarHBondContact O-N 2.97Å; M136-Q138 PolarHBondContact O-N 3.41Å; M136-P150 WeakPolarHBondContact CE-O 3.42Å; M136-R152 HydrophobicContact CE-CB 4.38Å; M136-R152 HydrophobicContact CE-CG 3.72Å |
| 137 | D | 85.3 | Confident | 83.3 | Confident | 137 Ų | 137 | 78.1 Ų | 78.1 | 73% | 0.733 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.3 | -24.4 | 176.6 | -74.6 | -18.5 | 0 | 0 | 0 | 111.9 | D133 V135 K139 | D133-D137 PolarHBondContact O-N 3.11Å; V135-D137 VanDerWaalsContact C-N 3.32Å; V135-D137 PolarHBondContact O-N 3.39Å; D137-K139 PolarHBondContact O-N 3.37Å |
| 138 | Q | 81.9 | Confident | 83.4 | Confident | 85 Ų | 85 | 72.6 Ų | 72.6 | 40% | 0.397 | 38% | 0.375 | S | S | . | . | trans | -78.4 | 114.1 | 171 | -76.3 | -155 | -7.9 | 0 | 0 | 111.2 | F101 V135 M136 E140 H141 | F101-Q138 HydrophobicContact CE1-CG 3.97Å; F101-Q138 VanDerWaalsContact CE1-NE2 3.29Å; F101-Q138 VanDerWaalsContact CZ-CD 3.49Å; V135-Q138 WeakPolarHBondContact O-CB 3.32Å; V135-Q138 PolarHBondContact O-N 3.36Å; V135-Q138 VanDerWaalsContact O-N 3.13Å; M136-Q138 PolarHBondContact O-N 3.41Å; Q138-E140 VanDerWaalsContact C-N 3.3Å; Q138-E140 PolarHBondContact O-N 3.25Å; Q138-H141 WeakPolarHBondContact CB-CE1 3.43Å; Q138-H141 PolarHBondContact OE1-CE1 3.18Å; Q138-H141 PolarHBondContact OE1-ND1 3.33Å | ||
| 139 | K | 71.5 | Confident | 83.4 | Confident | 206 Ų | 206 | 72.4 Ų | 72.4 | 90% | 0.896 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -66.7 | -27.4 | -178.1 | -167.1 | 173.6 | -178.4 | 178.6 | 0 | 114.3 | D137 | D137-K139 PolarHBondContact O-N 3.37Š|
| 140 | E | 81.2 | Confident | 83.5 | Confident | 128 Ų | 128 | 71.1 Ų | 71.1 | 60% | 0.598 | 37% | 0.368 | S | S | * | . | trans | -142.3 | 132.4 | 178 | -67.8 | -168.1 | 150.6 | 0 | 0 | 110.8 | Q138 K142 | Q138-E140 VanDerWaalsContact C-N 3.3Å; Q138-E140 PolarHBondContact O-N 3.25Å; E140-K142 IonicContact OE2-NZ 3.57Å | ||
| 141 | H | 83.5 | Confident | 83.5 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 138.2 | 171.2 | -63.5 | -84.6 | 0 | 0 | 0 | 109.7 | Y97 F101 V135 Q138 V147 I148 P150 | Y97-H141 HydrophobicContact CE1-CB 4.18Å; Y97-H141 AromaticContact CE1-ND1 3.86Å; Y97-H141 AromaticContact CZ-ND1 3.97Å; Y97-H141 WeakPolarHBondContact OH-CA 3.28Å; Y97-H141 VanDerWaalsContact OH-CB 3.28Å; Y97-H141 WeakPolarHBondContact OH-CB 2.86Å; Y97-H141 PolarHBondContact OH-ND1 2.88Å; F101-H141 AromaticContact CZ-CE1 3.93Å; F101-H141 AromaticContact CZ-ND1 3.97Å; V135-H141 WeakPolarHBondContact CG1-NE2 3.06Å; V135-H141 PolarHBondContact O-CE1 3.42Å; V135-H141 PolarHBondContact O-NE2 3.37Å; Q138-H141 WeakPolarHBondContact CB-CE1 3.43Å; Q138-H141 PolarHBondContact OE1-CE1 3.18Å; Q138-H141 PolarHBondContact OE1-ND1 3.33Å; H141-V147 CarbonylContact O-C 3.49Å; H141-V147 WeakPolarHBondContact O-CA 3.33Å; H141-I148 HydrophobicContact CB-CD1 3.72Å; H141-I148 HydrophobicContact CB-CG1 3.26Å; H141-I148 PolarHBondContact O-N 3.04Å; H141-P150 WeakPolarHBondContact CD2-CG 3.47Å; H141-P150 WeakPolarHBondContact NE2-CG 3.28Å |
| 142 | K | 84 | Confident | 83.4 | Confident | 120 Ų | 120 | 77.3 Ų | 77.3 | 52% | 0.522 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 123.9 | -179.7 | -69.8 | 176.1 | -172.8 | 168.7 | 0 | 109.1 | Y97 E140 K146 V147 | Y97-K142 WeakPolarHBondContact CE2-O 3.38Å; Y97-K142 PolarHBondContact OH-N 3.31Å; E140-K142 IonicContact OE2-NZ 3.57Å; K142-K146 CarbonylContact C-O 3.54Å; K142-K146 WeakPolarHBondContact CA-O 3.28Å; K142-V147 HydrophobicContact CD-CG2 4.44Å; K142-V147 HydrophobicContact CG-CG2 4.04Å |
| 143 | L | 83.1 | Confident | 82.9 | Confident | 8 Ų | 8 | 77.9 Ų | 77.9 | 4% | 0.042 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 128.7 | 179.3 | -167.9 | 152.2 | 0 | 0 | 0 | 108.7 | T89 D93 Y97 G145 K146 I148 | T89-L143 HydrophobicContact CG2-CD2 3.42Å; T89-L143 VanDerWaalsContact CG2-CD2 3.42Å; D93-L143 HydrophobicContact CB-CD2 4.37Å; Y97-L143 HydrophobicContact CD1-CD1 4.09Å; Y97-L143 HydrophobicContact CD2-CD1 4.25Å; Y97-L143 HydrophobicContact CG-CD1 3.71Å; L143-G145 PolarHBondContact O-N 3.4Å; L143-K146 PolarHBondContact N-O 3.14Å; L143-K146 PolarHBondContact O-N 3.45Å; L143-K146 VanDerWaalsContact O-O 3.13Å; L143-I148 HydrophobicContact CB-CD1 4.16Å; L143-I148 HydrophobicContact CB-CG2 3.87Å; L143-I148 HydrophobicContact CD1-CD1 4.48Å |
| 144 | N | 78.1 | Confident | 81.9 | Confident | 88 Ų | 88 | 83.3 Ų | 83.3 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 41.5 | -177.1 | -62.3 | -14.5 | 0 | 0 | 0 | 113.2 | K146 | N144-K146 PolarHBondContact O-N 3.2Š|
| 145 | G | 78.9 | Confident | 80.5 | Confident | 84 Ų | 84 | 80.4 Ų | 80.4 | 87% | 0.866 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 3.3 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | L143 | L143-G145 PolarHBondContact O-N 3.4Š|
| 146 | K | 83.4 | Confident | 79 | Confident | 87 Ų | 87 | 88.4 Ų | 88.4 | 38% | 0.378 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 139.7 | -179.8 | -158.6 | 160.6 | 178.1 | -93.3 | 0 | 110.9 | G84 L85 K142 L143 N144 I148 | G84-K146 VanDerWaalsContact C-NZ 3.34Å; G84-K146 WeakPolarHBondContact O-CD 3.13Å; G84-K146 WeakPolarHBondContact O-CG 3.19Å; G84-K146 PolarHBondContact O-NZ 2.83Å; L85-K146 PolarHBondContact O-NZ 2.99Å; K142-K146 CarbonylContact C-O 3.54Å; K142-K146 WeakPolarHBondContact CA-O 3.28Å; L143-K146 PolarHBondContact N-O 3.14Å; L143-K146 PolarHBondContact O-N 3.45Å; L143-K146 VanDerWaalsContact O-O 3.13Å; N144-K146 PolarHBondContact O-N 3.2Å; K146-I148 PolarHBondContact O-N 2.73Å |
| 147 | V | 86.1 | Confident | 77.3 | Confident | 80 Ų | 80 | 92 Ų | 92 | 49% | 0.485 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 123.9 | 174.9 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | H141 K142 | H141-V147 CarbonylContact O-C 3.49Å; H141-V147 WeakPolarHBondContact O-CA 3.33Å; K142-V147 HydrophobicContact CD-CG2 4.44Å; K142-V147 HydrophobicContact CG-CG2 4.04Å |
| 148 | I | 88.7 | Confident | 75.5 | Confident | 4 Ų | 4 | 89.9 Ų | 89.9 | 2% | 0.021 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 146.7 | 174.9 | 69.6 | 179.3 | 0 | 0 | 0 | 109.2 | I82 G83 L85 Y97 F98 H141 L143 K146 P150 | I82-I148 HydrophobicContact CG2-CB 4.16Å; I82-I148 HydrophobicContact CG2-CD1 4.08Å; I82-I148 HydrophobicContact CG2-CG1 4.47Å; G83-I148 CarbonylContact O-C 3.55Å; G83-I148 WeakPolarHBondContact O-CA 3.49Å; L85-I148 HydrophobicContact CD2-CG2 3.73Å; L85-I148 HydrophobicContact CG-CG2 4.44Å; Y97-I148 HydrophobicContact CD1-CD1 4.22Å; Y97-I148 HydrophobicContact CE1-CD1 3.86Å; F98-I148 HydrophobicContact CE2-CD1 4Å; F98-I148 HydrophobicContact CZ-CD1 3.63Å; H141-I148 HydrophobicContact CB-CD1 3.72Å; H141-I148 HydrophobicContact CB-CG1 3.26Å; H141-I148 PolarHBondContact O-N 3.04Å; L143-I148 HydrophobicContact CB-CD1 4.16Å; L143-I148 HydrophobicContact CB-CG2 3.87Å; L143-I148 HydrophobicContact CD1-CD1 4.48Å; K146-I148 PolarHBondContact O-N 2.73Å; I148-P150 WeakPolarHBondContact O-CD 3.38Å |
| 149 | D | 85.4 | Confident | 74.2 | Confident | 104 Ų | 104 | 94.1 Ų | 94.1 | 56% | 0.556 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 89.7 | -179 | -168.1 | -67 | 0 | 0 | 0 | 107.8 | G83 | G83-D149 PolarHBondContact N-O 3.42Å; G83-D149 PolarHBondContact O-N 3.09Å |
| 150 | P | 85.7 | Confident | 73.4 | Confident | 19 Ų | 19 | 88.9 Ų | 88.9 | 12% | 0.123 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 127.7 | 172.7 | 27.3 | -26.4 | 0 | 0 | 0 | 109.3 | M80 F81 I82 V135 M136 H141 I148 | M80-P150 HydrophobicContact CE-CB 3.79Å; F81-P150 CarbonylContact O-C 3.56Å; F81-P150 WeakPolarHBondContact O-CA 3.36Å; I82-P150 HydrophobicContact CD1-CB 3.76Å; V135-P150 HydrophobicContact CG1-CB 3.57Å; V135-P150 HydrophobicContact CG1-CG 3.58Å; M136-P150 WeakPolarHBondContact CE-O 3.42Å; H141-P150 WeakPolarHBondContact CD2-CG 3.47Å; H141-P150 WeakPolarHBondContact NE2-CG 3.28Å; I148-P150 WeakPolarHBondContact O-CD 3.38Å |
| 151 | K | 85.6 | Confident | 72.1 | Confident | 119 Ų | 119 | 86.1 Ų | 86.1 | 52% | 0.517 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 146 | 177.1 | -167.8 | 166.6 | -172.5 | 159 | 0 | 109.1 | M80 F81 A153 | M80-K151 VanDerWaalsContact SD-O 3.37Å; F81-K151 HydrophobicContact CD1-CB 4.15Å; F81-K151 PolarHBondContact N-O 2.93Å; F81-K151 PolarHBondContact O-N 3.08Å; F81-K151 VanDerWaalsContact O-O 3.13Å; K151-A153 PolarHBondContact O-N 3.19Å; K151-A153 VanDerWaalsContact O-N 3.11Å |
| 152 | R | 83.6 | Confident | 71.2 | Confident | 128 Ų | 128 | 87.8 Ų | 87.8 | 48% | 0.483 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 124.9 | 171.7 | -67.7 | -166.7 | -171.3 | -114.6 | 3.5 | 107.4 | M80 V132 D133 M136 K154 | M80-R152 VanDerWaalsContact SD-CA 3.56Å; M80-R152 HydrophobicContact SD-CG 4.27Å; V132-R152 HydrophobicContact CG1-CG 4.2Å; D133-R152 IonicContact OD1-CZ 3.48Å; D133-R152 IonicContact OD1-NH1 3.56Å; D133-R152 IonicContact OD1-NH2 2.64Å; D133-R152 PolarHBondContact OD1-NH2 2.78Å; M136-R152 HydrophobicContact CE-CB 4.38Å; M136-R152 HydrophobicContact CE-CG 3.72Å; R152-K154 PolarHBondContact O-N 3.3Å |
| 153 | A | 72.1 | Confident | 70.8 | Confident | 12 Ų | 12 | 86.8 Ų | 86.8 | 10% | 0.099 | 45% | 0.449 | C | S | . | . | trans | -63.9 | 115.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | K79 F81 F123 K151 A155 | K79-A153 HydrophobicContact CB-CB 3.92Å; K79-A153 HydrophobicContact CD-CB 4.12Å; K79-A153 HydrophobicContact CG-CB 3.65Å; K79-A153 WeakPolarHBondContact O-CB 3.37Å; K79-A153 PolarHBondContact O-N 2.94Å; F81-A153 HydrophobicContact CB-CB 4.4Å; F123-A153 HydrophobicContact CD1-CB 4.35Å; K151-A153 PolarHBondContact O-N 3.19Å; K151-A153 VanDerWaalsContact O-N 3.11Å; A153-A155 PolarHBondContact O-N 2.85Å; A153-A155 VanDerWaalsContact O-N 3.07Å | ||
| 154 | K | 65.6 | Low | 70.8 | Confident | 176 Ų | 176 | 89.3 Ų | 89.3 | 77% | 0.765 | 46% | 0.459 | S | S | * | . | trans | -68.5 | 109.5 | 158.7 | -66 | -172.4 | 178.1 | -171.1 | 0 | 104.1 | R152 M156 | R152-K154 PolarHBondContact O-N 3.3Å; K154-M156 PolarHBondContact O-N 3.04Å | ||
| 155 | A | 57 | Low | 71.2 | Confident | 36 Ų | 36 | 85.1 Ų | 85.1 | 30% | 0.298 | 44% | 0.437 | S | S | . | . | trans | -46.2 | 112.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | D76 A153 K157 | D76-A155 WeakPolarHBondContact OD1-CB 3.43Å; A153-A155 PolarHBondContact O-N 2.85Å; A153-A155 VanDerWaalsContact O-N 3.07Å; A155-K157 PolarHBondContact O-N 3.04Å | ||
| 156 | M | 53.1 | Low | 71.6 | Confident | 169 Ų | 169 | 83.4 Ų | 83.4 | 83% | 0.833 | 41% | 0.406 | S | S | * | . | trans | -62.3 | 95.9 | 160.2 | -81.1 | -175.6 | 178.5 | 0 | 0 | 102.1 | K154 T158 | K154-M156 PolarHBondContact O-N 3.04Å; M156-T158 VanDerWaalsContact C-N 3.31Å; M156-T158 VanDerWaalsContact O-CA 3.23Å; M156-T158 WeakPolarHBondContact O-CA 3.23Å; M156-T158 PolarHBondContact O-N 3.26Å; M156-T158 PolarHBondContact O-OG1 2.79Å | ||
| 157 | K | 49.5 | Very low | 71.7 | Confident | 142 Ų | 142 | 79.2 Ų | 79.2 | 62% | 0.617 | 39% | 0.388 | S | S | * | . | trans | -37 | 105.3 | 176.3 | -75.3 | 178.3 | 167.9 | -159.7 | 0 | 105.7 | A155 K159 E160 | A155-K157 PolarHBondContact O-N 3.04Å; K157-K159 PolarHBondContact O-N 3.15Å; K157-E160 HydrophobicContact CB-CG 4.36Å; K157-E160 HydrophobicContact CD-CG 4.24Å; K157-E160 WeakPolarHBondContact CD-OE1 3.43Å; K157-E160 VanDerWaalsContact CE-OE1 3.31Å; K157-E160 WeakPolarHBondContact CE-OE1 3.23Å; K157-E160 IonicContact NZ-OE1 2.65Å; K157-E160 PolarHBondContact NZ-OE1 2.79Å | ||
| 158 | T | 47.8 | Very low | 71.6 | Confident | 91 Ų | 91 | 75.8 Ų | 75.8 | 56% | 0.558 | 37% | 0.368 | S | S | * | . | trans | -75.4 | 69.1 | -160.7 | -36.8 | 0 | 0 | 0 | 0 | 106.8 | A70 M156 | A70-T158 PolarHBondContact O-OG1 2.76Å; M156-T158 VanDerWaalsContact C-N 3.31Å; M156-T158 VanDerWaalsContact O-CA 3.23Å; M156-T158 WeakPolarHBondContact O-CA 3.23Å; M156-T158 PolarHBondContact O-N 3.26Å; M156-T158 PolarHBondContact O-OG1 2.79Å | ||
| 159 | K | 55.4 | Low | 71.2 | Confident | 174 Ų | 174 | 77.7 Ų | 77.7 | 76% | 0.757 | 39% | 0.389 | S | S | * | . | trans | 36.9 | 88.1 | -160.5 | -70 | 174.9 | 177.3 | 177.3 | 0 | 109.9 | K157 | K157-K159 PolarHBondContact O-N 3.15Š| ||
| 160 | E | 54.2 | Low | 71.1 | Confident | 96 Ų | 96 | 73.2 Ų | 73.2 | 45% | 0.449 | 37% | 0.365 | S | S | . | . | trans | -33.6 | 125.3 | 166.6 | -77.7 | 176.1 | 174.1 | 0 | 0 | 108.1 | K157 V162 | K157-E160 HydrophobicContact CB-CG 4.36Å; K157-E160 HydrophobicContact CD-CG 4.24Å; K157-E160 WeakPolarHBondContact CD-OE1 3.43Å; K157-E160 VanDerWaalsContact CE-OE1 3.31Å; K157-E160 WeakPolarHBondContact CE-OE1 3.23Å; K157-E160 IonicContact NZ-OE1 2.65Å; K157-E160 PolarHBondContact NZ-OE1 2.79Å; E160-V162 VanDerWaalsContact C-N 3.33Å; E160-V162 WeakPolarHBondContact O-CA 3.46Å; E160-V162 WeakPolarHBondContact O-CG1 3.39Å; E160-V162 PolarHBondContact O-N 2.74Å | ||
| 161 | P | 54.1 | Low | 70.7 | Confident | 71 Ų | 71 | 73.9 Ų | 73.9 | 46% | 0.461 | 37% | 0.37 | S | S | . | . | trans | -54.1 | 108.5 | -176.4 | 23.4 | -33.9 | 0 | 0 | 0 | 106.1 | K163 E214 | P161-K163 PolarHBondContact O-N 2.64Å; P161-E214 HydrophobicContact CB-CB 4.12Å; P161-E214 WeakPolarHBondContact CB-OE2 3.26Å | ||
| 162 | V | 63.3 | Low | 70.1 | Confident | 35 Ų | 35 | 71.1 Ų | 71.1 | 21% | 0.212 | 36% | 0.364 | C | S | . | . | trans | -76.3 | 86.5 | -164.1 | -92.2 | 0 | 0 | 0 | 0 | 106.5 | E160 K164 V217 M221 V237 | E160-V162 VanDerWaalsContact C-N 3.33Å; E160-V162 WeakPolarHBondContact O-CA 3.46Å; E160-V162 WeakPolarHBondContact O-CG1 3.39Å; E160-V162 PolarHBondContact O-N 2.74Å; V162-K164 PolarHBondContact O-N 2.74Å; V162-K164 VanDerWaalsContact O-N 3.08Å; V162-V217 HydrophobicContact CG2-CG1 4.46Å; V162-V217 WeakPolarHBondContact O-CG1 3.23Å; V162-V217 WeakPolarHBondContact O-CG2 3.44Å; V162-M221 HydrophobicContact CG2-CE 4.3Å; V162-V237 HydrophobicContact CB-CG1 3.75Å; V162-V237 HydrophobicContact CG1-CG1 3.47Å; V162-V237 VanDerWaalsContact CG1-CG1 3.47Å; V162-V237 HydrophobicContact CG2-CB 4.25Å; V162-V237 HydrophobicContact CG2-CG1 3.44Å; V162-V237 VanDerWaalsContact CG2-CG1 3.44Å; V162-V237 HydrophobicContact CG2-CG2 4.14Å | ||
| 163 | K | 75.3 | Confident | 69.8 | Low | 99 Ų | 99 | 71.5 Ų | 71.5 | 43% | 0.43 | 38% | 0.375 | S | S | . | . | trans | -57.4 | -20.3 | 171.9 | -63.6 | -169.2 | -178.3 | -156.8 | 0 | 111.4 | P161 T210 F211 K212 | P161-K163 PolarHBondContact O-N 2.64Å; K163-T210 HydrophobicContact CB-CG2 4.44Å; K163-T210 CarbonylContact O-C 3.56Å; K163-T210 WeakPolarHBondContact O-CA 3.38Å; K163-F211 WeakPolarHBondContact CB-O 3.46Å; K163-F211 PolarHBondContact O-N 3.44Å; K163-K212 PolarHBondContact NZ-O 3.04Å | ||
| 164 | K | 84.3 | Confident | 70 | Confident | 61 Ų | 61 | 71.4 Ų | 71.4 | 27% | 0.265 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 127.2 | 177.5 | -162.2 | 168.2 | -179.5 | 165.6 | 0 | 111.3 | V162 E193 F208 I209 A238 | V162-K164 PolarHBondContact O-N 2.74Å; V162-K164 VanDerWaalsContact O-N 3.08Å; K164-E193 IonicContact NZ-OE1 2.94Å; K164-E193 PolarHBondContact NZ-OE1 3.48Å; K164-E193 IonicContact NZ-OE2 2.76Å; K164-E193 PolarHBondContact NZ-OE2 2.74Å; K164-F208 HydrophobicContact CD-CB 4.41Å; K164-F208 HydrophobicContact CG-CB 4.31Å; K164-I209 CarbonylContact C-O 3.58Å; K164-I209 VanDerWaalsContact CA-O 3.27Å; K164-I209 WeakPolarHBondContact CA-O 3.48Å; K164-A238 HydrophobicContact CB-CB 3.89Å; K164-A238 HydrophobicContact CD-CB 4.35Å; K164-A238 HydrophobicContact CG-CB 3.68Å; K164-A238 WeakPolarHBondContact O-CB 3.09Å; K164-A238 PolarHBondContact O-N 3.12Å; K164-A238 VanDerWaalsContact O-N 3.1Å |
| 165 | I | 86.6 | Confident | 70.8 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 148.9 | 171.2 | 62.6 | 165.7 | 0 | 0 | 0 | 110.7 | V167 F183 F208 I209 F211 V217 I220 M221 I235 | I165-V167 HydrophobicContact CD1-CG2 3.75Å; I165-V167 HydrophobicContact CG1-CG2 4.14Å; I165-F183 HydrophobicContact CD1-CD1 4.24Å; I165-F183 HydrophobicContact CD1-CE1 4.02Å; I165-F208 CarbonylContact O-C 3.55Å; I165-F208 VanDerWaalsContact O-CA 3.27Å; I165-F208 WeakPolarHBondContact O-CA 3.4Å; I165-I209 HydrophobicContact CD1-CB 4.22Å; I165-I209 HydrophobicContact CD1-CD1 4.3Å; I165-I209 HydrophobicContact CG1-CB 3.74Å; I165-I209 HydrophobicContact CG1-CG1 4.47Å; I165-I209 PolarHBondContact N-O 3.47Å; I165-I209 PolarHBondContact O-N 3.18Å; I165-F211 HydrophobicContact CD1-CE2 3.59Å; I165-F211 HydrophobicContact CD1-CZ 4.29Å; I165-F211 HydrophobicContact CG1-CD2 4.46Å; I165-F211 HydrophobicContact CG1-CE2 3.83Å; I165-V217 HydrophobicContact CG2-CB 4.03Å; I165-V217 HydrophobicContact CG2-CG1 3.41Å; I165-V217 VanDerWaalsContact CG2-CG1 3.41Å; I165-V217 HydrophobicContact CG2-CG2 3.73Å; I165-I220 HydrophobicContact CD1-CD1 4.15Å; I165-I220 HydrophobicContact CD1-CG2 4.16Å; I165-M221 HydrophobicContact CG2-CE 4.18Å; I165-I235 HydrophobicContact CB-CG2 4.06Å; I165-I235 HydrophobicContact CD1-CG2 3.97Å; I165-I235 HydrophobicContact CG2-CG2 4.49Å |
| 166 | F | 86.5 | Confident | 72 | Confident | 48 Ų | 48 | 67 Ų | 67 | 21% | 0.211 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 124.8 | 168.9 | 169.1 | -92.3 | 0 | 0 | 0 | 108 | F206 F208 I235 K236 A238 | F166-F206 HydrophobicContact CD2-CB 4.47Å; F166-F206 HydrophobicContact CD2-CD2 4.31Å; F166-F206 HydrophobicContact CE2-CB 3.55Å; F166-F206 HydrophobicContact CE2-CD1 4.28Å; F166-F206 AromaticContact CE2-CD2 3.6Å; F166-F206 HydrophobicContact CE2-CD2 3.6Å; F166-F206 HydrophobicContact CE2-CE2 4.35Å; F166-F206 AromaticContact CE2-CG 3.58Å; F166-F206 HydrophobicContact CE2-CG 3.58Å; F166-F206 HydrophobicContact CZ-CB 3.65Å; F166-F206 HydrophobicContact CZ-CD1 4.48Å; F166-F206 HydrophobicContact CZ-CD2 4.47Å; F166-F206 HydrophobicContact CZ-CG 4Å; F166-F208 HydrophobicContact CB-CD1 4.12Å; F166-F208 HydrophobicContact CB-CE1 4.03Å; F166-F208 HydrophobicContact CD2-CD1 4.12Å; F166-F208 AromaticContact CD2-CE1 3.58Å; F166-F208 HydrophobicContact CD2-CE1 3.58Å; F166-F208 HydrophobicContact CD2-CE2 4.47Å; F166-F208 AromaticContact CD2-CZ 3.77Å; F166-F208 HydrophobicContact CD2-CZ 3.77Å; F166-F208 HydrophobicContact CE2-CZ 4.35Å; F166-F208 HydrophobicContact CG-CE1 4.28Å; F166-I235 CarbonylContact O-C 3.54Å; F166-I235 VanDerWaalsContact O-CA 3.31Å; F166-I235 WeakPolarHBondContact O-CA 3.49Å; F166-K236 HydrophobicContact CB-CB 4.39Å; F166-K236 HydrophobicContact CD1-CB 4.06Å; F166-K236 HydrophobicContact CD1-CD 4.21Å; F166-K236 HydrophobicContact CD1-CG 4.2Å; F166-K236 HydrophobicContact CE1-CD 4.45Å; F166-K236 PolarHBondContact N-O 3.44Å; F166-K236 PolarHBondContact O-N 2.95Å; F166-A238 HydrophobicContact CB-CB 4.32Å |
| 167 | V | 85.7 | Confident | 73.6 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 104.5 | 175.9 | -174.6 | 0 | 0 | 0 | 0 | 107.6 | I165 L170 F183 F206 C207 I209 C233 E234 I235 | I165-V167 HydrophobicContact CD1-CG2 3.75Å; I165-V167 HydrophobicContact CG1-CG2 4.14Å; V167-L170 HydrophobicContact CB-CD1 4.22Å; V167-L170 HydrophobicContact CG1-CD1 3.88Å; V167-L170 HydrophobicContact CG1-CD2 4.39Å; V167-L170 HydrophobicContact CG1-CG 4.05Å; V167-F183 HydrophobicContact CB-CZ 4.46Å; V167-F183 HydrophobicContact CG1-CE2 4.14Å; V167-F183 HydrophobicContact CG1-CZ 3.91Å; V167-F183 HydrophobicContact CG2-CE1 4.31Å; V167-F183 HydrophobicContact CG2-CE2 4.06Å; V167-F183 HydrophobicContact CG2-CZ 3.68Å; V167-F206 CarbonylContact O-C 3.46Å; V167-F206 WeakPolarHBondContact O-CA 3.5Å; V167-F206 WeakPolarHBondContact O-CB 3.27Å; V167-C207 PolarHBondContact N-O 3.04Å; V167-C207 PolarHBondContact O-N 2.86Å; V167-I209 HydrophobicContact CG2-CD1 3.79Å; V167-I209 HydrophobicContact CG2-CG1 4.25Å; V167-C233 HydrophobicContact CG1-CB 3.74Å; V167-E234 CarbonylContact C-O 3.55Å; V167-E234 WeakPolarHBondContact CA-O 3.41Å; V167-I235 HydrophobicContact CG1-CG1 4.26Å; V167-I235 HydrophobicContact CG2-CD1 4.36Å; V167-I235 HydrophobicContact CG2-CG1 4.22Å |
| 168 | G | 84.6 | Confident | 75.2 | Confident | 7 Ų | 7 | 65 Ų | 65 | 7% | 0.072 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 159.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | C233 E234 | G168-C233 CarbonylContact O-C 3.57Å; G168-C233 WeakPolarHBondContact O-CA 3.49Å; G168-C233 WeakPolarHBondContact O-CB 3.5Å; G168-E234 PolarHBondContact N-O 2.73Å; G168-E234 PolarHBondContact O-N 2.87Å |
| 169 | G | 81 | Confident | 76.9 | Confident | 44 Ų | 44 | 60.8 Ų | 60.8 | 45% | 0.454 | 32% | 0.316 | S | S | . | . | trans | 79.1 | 23 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G205 S231 | G169-G205 PolarHBondContact N-O 2.76Å; G169-S231 WeakPolarHBondContact O-CB 3.37Å | ||
| 170 | L | 81.4 | Confident | 78.4 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | trans | -75.6 | 138.2 | 169.2 | -73.4 | 162.5 | 0 | 0 | 0 | 109.4 | V167 T174 I179 G205 C207 V228 C233 | V167-L170 HydrophobicContact CB-CD1 4.22Å; V167-L170 HydrophobicContact CG1-CD1 3.88Å; V167-L170 HydrophobicContact CG1-CD2 4.39Å; V167-L170 HydrophobicContact CG1-CG 4.05Å; L170-T174 HydrophobicContact CD2-CG2 4.47Å; L170-I179 HydrophobicContact CD1-CD1 3.71Å; L170-I179 HydrophobicContact CD1-CG1 4.42Å; L170-I179 HydrophobicContact CD2-CD1 4.11Å; L170-I179 HydrophobicContact CD2-CG1 4.09Å; L170-G205 PolarHBondContact N-O 2.87Å; L170-G205 CarbonylContact O-C 3.54Å; L170-G205 WeakPolarHBondContact O-CA 3.27Å; L170-C207 HydrophobicContact CD1-CB 3.84Å; L170-C207 WeakPolarHBondContact CD1-SG 3.49Å; L170-V228 HydrophobicContact CD2-CB 3.88Å; L170-V228 HydrophobicContact CD2-CG1 4.03Å; L170-V228 HydrophobicContact CD2-CG2 4.35Å; L170-C233 WeakPolarHBondContact CD2-SG 3.37Å | ||
| 171 | S | 77.4 | Confident | 79.9 | Confident | 32 Ų | 32 | 62.3 Ų | 62.3 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | trans | -66.8 | 140.1 | 169.4 | 167.2 | 0 | 0 | 0 | 0 | 109.9 | D173 T174 S231 | S171-D173 PolarHBondContact O-N 2.94Å; S171-D173 VanDerWaalsContact O-N 3.13Å; S171-D173 PolarHBondContact OG-N 2.87Å; S171-T174 VanDerWaalsContact O-CB 3.28Å; S171-T174 WeakPolarHBondContact O-CB 3.21Å; S171-T174 PolarHBondContact O-N 2.98Å; S171-T174 PolarHBondContact O-OG1 2.93Å; S171-T174 VanDerWaalsContact O-OG1 3.06Å; S171-S231 WeakPolarHBondContact CB-OG 3.14Å; S171-S231 PolarHBondContact N-OG 2.78Å | ||
| 172 | P | 74.2 | Confident | 81.4 | Confident | 61 Ų | 61 | 62.4 Ų | 62.4 | 40% | 0.396 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -23.7 | 176.4 | 25.9 | -35.8 | 0 | 0 | 0 | 113.2 | T174 R203 | P172-T174 VanDerWaalsContact C-N 3.26Å; P172-T174 PolarHBondContact O-N 3.11Å; P172-R203 HydrophobicContact CB-CB 4.18Å; P172-R203 VanDerWaalsContact O-CD 3.31Å; P172-R203 WeakPolarHBondContact O-CD 3.34Å; P172-R203 PolarHBondContact O-NH1 2.94Å |
| 173 | D | 76.3 | Confident | 82.3 | Confident | 136 Ų | 136 | 60.7 Ų | 60.7 | 73% | 0.727 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -7.2 | 177.7 | -56.6 | -59 | 0 | 0 | 0 | 113.1 | S171 P175 | S171-D173 PolarHBondContact O-N 2.94Å; S171-D173 VanDerWaalsContact O-N 3.13Å; S171-D173 PolarHBondContact OG-N 2.87Å; D173-P175 VanDerWaalsContact O-CD 3.26Å; D173-P175 WeakPolarHBondContact O-CD 3.38Å |
| 174 | T | 77.4 | Confident | 82.7 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | trans | -78.6 | 115.2 | -179.9 | -48.5 | 0 | 0 | 0 | 0 | 109.9 | L170 S171 P172 K178 I179 R203 V228 | L170-T174 HydrophobicContact CD2-CG2 4.47Å; S171-T174 VanDerWaalsContact O-CB 3.28Å; S171-T174 WeakPolarHBondContact O-CB 3.21Å; S171-T174 PolarHBondContact O-N 2.98Å; S171-T174 PolarHBondContact O-OG1 2.93Å; S171-T174 VanDerWaalsContact O-OG1 3.06Å; P172-T174 VanDerWaalsContact C-N 3.26Å; P172-T174 PolarHBondContact O-N 3.11Å; T174-K178 HydrophobicContact CG2-CB 4.25Å; T174-I179 HydrophobicContact CG2-CD1 4.49Å; T174-I179 HydrophobicContact CG2-CG1 4.13Å; T174-R203 PolarHBondContact O-NH1 3.35Å; T174-V228 HydrophobicContact CG2-CG1 4.2Å | ||
| 175 | P | 81 | Confident | 82.6 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 25% | 0.253 | 32% | 0.321 | S | S | . | . | trans | -72.8 | 157.1 | 175.8 | 32 | -35.9 | 0 | 0 | 0 | 111.5 | D173 E177 K178 | D173-P175 VanDerWaalsContact O-CD 3.26Å; D173-P175 WeakPolarHBondContact O-CD 3.38Å; P175-E177 PolarHBondContact O-N 3.24Å; P175-K178 HydrophobicContact CG-CB 4.4Å; P175-K178 HydrophobicContact CG-CD 4.14Å; P175-K178 HydrophobicContact CG-CG 3.94Å; P175-K178 PolarHBondContact O-N 3.06Å | ||
| 176 | E | 83.3 | Confident | 82.4 | Confident | 81 Ų | 81 | 60.8 Ų | 60.8 | 38% | 0.379 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -55.3 | -36.2 | 174.5 | 179.6 | -177.8 | 155.5 | 0 | 0 | 112.4 | K178 I179 R180 I192 L194 | E176-K178 VanDerWaalsContact C-N 3.32Å; E176-K178 PolarHBondContact O-N 2.77Å; E176-I179 CarbonylContact O-C 3.59Å; E176-I179 WeakPolarHBondContact O-CA 3.23Å; E176-I179 WeakPolarHBondContact O-CB 3.45Å; E176-I179 PolarHBondContact O-N 2.7Å; E176-R180 WeakPolarHBondContact O-CB 3.33Å; E176-R180 PolarHBondContact O-N 3.39Å; E176-I192 HydrophobicContact CG-CB 4.03Å; E176-I192 HydrophobicContact CG-CD1 3.78Å; E176-I192 HydrophobicContact CG-CG1 4.46Å; E176-I192 HydrophobicContact CG-CG2 4.08Å; E176-L194 HydrophobicContact CB-CD1 3.9Å; E176-L194 HydrophobicContact CG-CD1 3.9Å |
| 177 | E | 85.8 | Confident | 82.2 | Confident | 157 Ų | 157 | 59.4 Ų | 59.4 | 73% | 0.734 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -55.9 | -44.8 | -179.2 | -66 | 173.4 | -171.5 | 0 | 0 | 112.4 | P175 I179 R180 E181 | P175-E177 PolarHBondContact O-N 3.24Å; E177-I179 VanDerWaalsContact C-N 3.31Å; E177-I179 PolarHBondContact O-N 2.87Å; E177-R180 PolarHBondContact O-N 3.35Å; E177-E181 WeakPolarHBondContact O-CB 3.23Å; E177-E181 PolarHBondContact O-N 3.48Å |
| 178 | K | 84.1 | Confident | 82.2 | Confident | 112 Ų | 112 | 65.1 Ų | 65.1 | 49% | 0.487 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.6 | -35.5 | 177.5 | -70.8 | -173.2 | -173.2 | 178.7 | 0 | 112.3 | T174 P175 E176 Y182 | T174-K178 HydrophobicContact CG2-CB 4.25Å; P175-K178 HydrophobicContact CG-CB 4.4Å; P175-K178 HydrophobicContact CG-CD 4.14Å; P175-K178 HydrophobicContact CG-CG 3.94Å; P175-K178 PolarHBondContact O-N 3.06Å; E176-K178 VanDerWaalsContact C-N 3.32Å; E176-K178 PolarHBondContact O-N 2.77Å; K178-Y182 WeakPolarHBondContact O-CB 3.41Å; K178-Y182 PolarHBondContact O-N 3.46Å |
| 179 | I | 83.4 | Confident | 82.3 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.9 | -48.7 | 175.6 | -62.3 | 168.9 | 0 | 0 | 0 | 108.1 | L170 T174 E176 E177 E181 Y182 F183 I192 L194 I209 V228 | L170-I179 HydrophobicContact CD1-CD1 3.71Å; L170-I179 HydrophobicContact CD1-CG1 4.42Å; L170-I179 HydrophobicContact CD2-CD1 4.11Å; L170-I179 HydrophobicContact CD2-CG1 4.09Å; T174-I179 HydrophobicContact CG2-CD1 4.49Å; T174-I179 HydrophobicContact CG2-CG1 4.13Å; E176-I179 CarbonylContact O-C 3.59Å; E176-I179 WeakPolarHBondContact O-CA 3.23Å; E176-I179 WeakPolarHBondContact O-CB 3.45Å; E176-I179 PolarHBondContact O-N 2.7Å; E177-I179 VanDerWaalsContact C-N 3.31Å; E177-I179 PolarHBondContact O-N 2.87Å; I179-E181 PolarHBondContact O-N 3.1Å; I179-Y182 PolarHBondContact O-N 3.37Å; I179-F183 HydrophobicContact CB-CD2 4.45Å; I179-F183 HydrophobicContact CG2-CD2 3.52Å; I179-F183 HydrophobicContact CG2-CE2 3.85Å; I179-F183 WeakPolarHBondContact O-CB 3.31Å; I179-F183 WeakPolarHBondContact O-CD2 3.32Å; I179-F183 PolarHBondContact O-N 3.43Å; I179-I192 HydrophobicContact CG2-CD1 4.32Å; I179-I192 HydrophobicContact CG2-CG2 4.42Å; I179-L194 HydrophobicContact CD1-CD2 4.05Å; I179-I209 HydrophobicContact CG2-CD1 3.54Å; I179-I209 HydrophobicContact CG2-CG1 4.27Å; I179-V228 HydrophobicContact CG1-CG1 4.13Å |
| 180 | R | 85.8 | Confident | 82.5 | Confident | 147 Ų | 147 | 69.2 Ų | 69.2 | 56% | 0.555 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.8 | -40.7 | 178.6 | -169.6 | 174.6 | -179.3 | 160.2 | 1.3 | 112.7 | E176 E177 G184 I192 | E176-R180 WeakPolarHBondContact O-CB 3.33Å; E176-R180 PolarHBondContact O-N 3.39Å; E177-R180 PolarHBondContact O-N 3.35Å; R180-G184 WeakPolarHBondContact O-CA 3.18Å; R180-G184 PolarHBondContact O-N 2.89Å; R180-I192 HydrophobicContact CB-CD1 3.6Å; R180-I192 HydrophobicContact CG-CD1 4.07Å |
| 181 | E | 86.2 | Confident | 82.5 | Confident | 156 Ų | 156 | 70.9 Ų | 70.9 | 73% | 0.729 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65 | -48.1 | 177.4 | -173.3 | 179.6 | -175.1 | 0 | 0 | 111.1 | E177 I179 G185 | E177-E181 WeakPolarHBondContact O-CB 3.23Å; E177-E181 PolarHBondContact O-N 3.48Å; I179-E181 PolarHBondContact O-N 3.1Å; E181-G185 PolarHBondContact O-N 2.8Å |
| 182 | Y | 85.4 | Confident | 82.9 | Confident | 72 Ų | 72 | 70.4 Ų | 70.4 | 28% | 0.282 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.3 | -50.3 | 178.8 | -175.8 | -93.1 | 0 | 0 | 0 | 111.9 | K178 I179 G185 F186 H226 N227 V228 | K178-Y182 WeakPolarHBondContact O-CB 3.41Å; K178-Y182 PolarHBondContact O-N 3.46Å; I179-Y182 PolarHBondContact O-N 3.37Å; Y182-G185 PolarHBondContact O-N 2.79Å; Y182-F186 AromaticContact CD1-CE2 3.94Å; Y182-F186 HydrophobicContact CD1-CE2 3.94Å; Y182-F186 HydrophobicContact CE1-CD2 4.4Å; Y182-F186 AromaticContact CE1-CE2 3.51Å; Y182-F186 HydrophobicContact CE1-CE2 3.51Å; Y182-F186 HydrophobicContact CE1-CZ 4.17Å; Y182-F186 HydrophobicContact CE2-CE2 4.39Å; Y182-F186 AromaticContact CZ-CE2 3.77Å; Y182-F186 WeakPolarHBondContact O-CD2 3.47Å; Y182-F186 WeakPolarHBondContact O-CE2 3.49Å; Y182-H226 HydrophobicContact CE1-CB 3.97Å; Y182-H226 AromaticContact CE1-ND1 3.75Å; Y182-H226 AromaticContact CZ-ND1 3.95Å; Y182-H226 PolarHBondContact OH-ND1 3.26Å; Y182-N227 WeakPolarHBondContact CE2-O 3.35Å; Y182-V228 HydrophobicContact CD1-CG2 3.85Å; Y182-V228 HydrophobicContact CE1-CG2 4.16Å; Y182-V228 HydrophobicContact CG-CG2 4.23Å |
| 183 | F | 83.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -75.6 | -27.1 | -178.2 | -73.8 | -71.3 | 0 | 0 | 0 | 113.2 | I165 V167 I179 G185 F186 G187 V189 I209 F211 I220 V228 I235 | I165-F183 HydrophobicContact CD1-CD1 4.24Å; I165-F183 HydrophobicContact CD1-CE1 4.02Å; V167-F183 HydrophobicContact CB-CZ 4.46Å; V167-F183 HydrophobicContact CG1-CE2 4.14Å; V167-F183 HydrophobicContact CG1-CZ 3.91Å; V167-F183 HydrophobicContact CG2-CE1 4.31Å; V167-F183 HydrophobicContact CG2-CE2 4.06Å; V167-F183 HydrophobicContact CG2-CZ 3.68Å; I179-F183 HydrophobicContact CB-CD2 4.45Å; I179-F183 HydrophobicContact CG2-CD2 3.52Å; I179-F183 HydrophobicContact CG2-CE2 3.85Å; I179-F183 WeakPolarHBondContact O-CB 3.31Å; I179-F183 WeakPolarHBondContact O-CD2 3.32Å; I179-F183 PolarHBondContact O-N 3.43Å; F183-G185 PolarHBondContact O-N 3.37Å; F183-F186 PolarHBondContact O-N 3.41Å; F183-G187 PolarHBondContact O-N 3.06Å; F183-V189 HydrophobicContact CB-CG2 4.17Å; F183-I209 HydrophobicContact CB-CD1 3.98Å; F183-I209 HydrophobicContact CD1-CD1 4.02Å; F183-I209 HydrophobicContact CD2-CD1 3.13Å; F183-I209 HydrophobicContact CE1-CD1 4.32Å; F183-I209 HydrophobicContact CE2-CD1 3.5Å; F183-I209 HydrophobicContact CG-CD1 3.42Å; F183-I209 VanDerWaalsContact CG-CD1 3.42Å; F183-I209 HydrophobicContact CZ-CD1 4.09Å; F183-F211 HydrophobicContact CB-CE1 4.44Å; F183-F211 HydrophobicContact CB-CZ 4.03Å; F183-F211 HydrophobicContact CD1-CZ 4.18Å; F183-F211 HydrophobicContact CG-CZ 4.48Å; F183-I220 HydrophobicContact CD1-CD1 3.76Å; F183-I220 HydrophobicContact CE1-CD1 4.16Å; F183-I220 HydrophobicContact CE1-CG2 4.18Å; F183-V228 HydrophobicContact CE2-CG2 3.9Å; F183-V228 HydrophobicContact CZ-CG2 4.21Å; F183-I235 HydrophobicContact CE1-CD1 3.53Å; F183-I235 HydrophobicContact CZ-CD1 3.66Å |
| 184 | G | 82.9 | Confident | 83.6 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 38% | 0.381 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.7 | -29.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R180 F186 G187 | R180-G184 WeakPolarHBondContact O-CA 3.18Å; R180-G184 PolarHBondContact O-N 2.89Å; G184-F186 PolarHBondContact O-N 3.35Å; G184-G187 WeakPolarHBondContact CA-O 3.28Å; G184-G187 PolarHBondContact O-N 3.43Å |
| 185 | G | 83.1 | Confident | 83.7 | Confident | 71 Ų | 71 | 68.7 Ų | 68.7 | 73% | 0.732 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E181 Y182 F183 | E181-G185 PolarHBondContact O-N 2.8Å; Y182-G185 PolarHBondContact O-N 2.79Å; F183-G185 PolarHBondContact O-N 3.37Å |
| 186 | F | 81.4 | Confident | 83.5 | Confident | 54 Ų | 54 | 72 Ų | 72 | 24% | 0.237 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -25.5 | 177 | -64.9 | -88.1 | 0 | 0 | 0 | 112.6 | Y182 F183 G184 P216 I220 | Y182-F186 AromaticContact CD1-CE2 3.94Å; Y182-F186 HydrophobicContact CD1-CE2 3.94Å; Y182-F186 HydrophobicContact CE1-CD2 4.4Å; Y182-F186 AromaticContact CE1-CE2 3.51Å; Y182-F186 HydrophobicContact CE1-CE2 3.51Å; Y182-F186 HydrophobicContact CE1-CZ 4.17Å; Y182-F186 HydrophobicContact CE2-CE2 4.39Å; Y182-F186 AromaticContact CZ-CE2 3.77Å; Y182-F186 WeakPolarHBondContact O-CD2 3.47Å; Y182-F186 WeakPolarHBondContact O-CE2 3.49Å; F183-F186 PolarHBondContact O-N 3.41Å; G184-F186 PolarHBondContact O-N 3.35Å; F186-P216 HydrophobicContact CB-CB 4.46Å; F186-P216 WeakPolarHBondContact O-CB 3.42Å; F186-I220 HydrophobicContact CB-CD1 3.93Å; F186-I220 HydrophobicContact CB-CG1 4Å; F186-I220 HydrophobicContact CD1-CG1 4.12Å; F186-I220 HydrophobicContact CD2-CG1 4.48Å; F186-I220 HydrophobicContact CG-CD1 4.29Å; F186-I220 HydrophobicContact CG-CG1 3.94Å |
| 187 | G | 83.2 | Confident | 83.1 | Confident | 19 Ų | 19 | 70.4 Ų | 70.4 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | S | Bend | trans | 169.9 | 177.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F183 G184 V189 | F183-G187 PolarHBondContact O-N 3.06Å; G184-G187 WeakPolarHBondContact CA-O 3.28Å; G184-G187 PolarHBondContact O-N 3.43Å; G187-V189 PolarHBondContact O-N 2.84Å |
| 188 | E | 85.1 | Confident | 82.4 | Confident | 120 Ų | 120 | 70.2 Ų | 70.2 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | trans | -72.8 | 113.5 | -174.3 | -162.3 | 178.3 | 172.8 | 0 | 0 | 111.8 | F211 K212 | E188-F211 WeakPolarHBondContact O-CA 3.29Å; E188-K212 HydrophobicContact CB-CD 4.41Å; E188-K212 VanDerWaalsContact CD-NZ 3.26Å; E188-K212 HydrophobicContact CG-CD 4.06Å; E188-K212 PolarHBondContact O-N 2.85Å; E188-K212 VanDerWaalsContact OE1-CE 3.28Å; E188-K212 WeakPolarHBondContact OE1-CE 3.48Å; E188-K212 IonicContact OE1-NZ 2.59Å; E188-K212 PolarHBondContact OE1-NZ 2.83Å; E188-K212 WeakPolarHBondContact OE2-CD 3.39Å; E188-K212 IonicContact OE2-NZ 3.44Å; E188-K212 PolarHBondContact OE2-NZ 3.18Å | ||
| 189 | V | 87 | Confident | 81.7 | Confident | 15 Ų | 15 | 74 Ų | 74 | 9% | 0.091 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 122.7 | 177.1 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | F183 G187 I192 I209 F211 | F183-V189 HydrophobicContact CB-CG2 4.17Å; G187-V189 PolarHBondContact O-N 2.84Å; V189-I192 HydrophobicContact CG1-CD1 4.02Å; V189-I192 HydrophobicContact CG1-CG1 3.53Å; V189-I209 HydrophobicContact CB-CG2 4.4Å; V189-I209 HydrophobicContact CG1-CG2 3.62Å; V189-I209 HydrophobicContact CG2-CG2 3.97Å; V189-F211 HydrophobicContact CG2-CD1 4.03Å; V189-F211 HydrophobicContact CG2-CE1 3.6Å; V189-F211 HydrophobicContact CG2-CZ 4.25Å |
| 190 | E | 85.3 | Confident | 81.1 | Confident | 122 Ų | 122 | 77.7 Ų | 77.7 | 57% | 0.57 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -47.6 | 176 | -172.3 | -178.9 | -177.1 | 0 | 0 | 111.6 | T210 K212 | E190-T210 WeakPolarHBondContact CA-O 3.37Å; E190-T210 WeakPolarHBondContact CB-O 3.17Å; E190-T210 PolarHBondContact N-O 2.93Å; E190-K212 HydrophobicContact CB-CG 3.96Å; E190-K212 HydrophobicContact CG-CG 4.42Å |
| 191 | S | 81.6 | Confident | 80.2 | Confident | 46 Ų | 46 | 76.9 Ų | 76.9 | 32% | 0.322 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 147.4 | 179 | 58.9 | 0 | 0 | 0 | 0 | 112.6 | I209 T210 | S191-I209 WeakPolarHBondContact O-CA 3.17Å; S191-T210 PolarHBondContact N-O 3.15Å; S191-T210 VanDerWaalsContact N-O 3.15Å; S191-T210 PolarHBondContact O-N 3Å; S191-T210 VanDerWaalsContact OG-CB 3.23Å; S191-T210 WeakPolarHBondContact OG-CB 3.45Å; S191-T210 PolarHBondContact OG-OG1 2.72Å; S191-T210 VanDerWaalsContact OG-OG1 3.06Å |
| 192 | I | 84.3 | Confident | 79.4 | Confident | 22 Ų | 22 | 76.5 Ų | 76.5 | 11% | 0.113 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.6 | 172.7 | -51.1 | 176.2 | 0 | 0 | 0 | 108 | E176 I179 R180 V189 L194 C207 F208 I209 | E176-I192 HydrophobicContact CG-CB 4.03Å; E176-I192 HydrophobicContact CG-CD1 3.78Å; E176-I192 HydrophobicContact CG-CG1 4.46Å; E176-I192 HydrophobicContact CG-CG2 4.08Å; I179-I192 HydrophobicContact CG2-CD1 4.32Å; I179-I192 HydrophobicContact CG2-CG2 4.42Å; R180-I192 HydrophobicContact CB-CD1 3.6Å; R180-I192 HydrophobicContact CG-CD1 4.07Å; V189-I192 HydrophobicContact CG1-CD1 4.02Å; V189-I192 HydrophobicContact CG1-CG1 3.53Å; I192-L194 HydrophobicContact CB-CD1 4.33Å; I192-L194 HydrophobicContact CG2-CD1 3.49Å; I192-L194 VanDerWaalsContact CG2-CD1 3.49Å; I192-L194 HydrophobicContact CG2-CG 4.39Å; I192-C207 HydrophobicContact CG2-CB 4.39Å; I192-F208 CarbonylContact C-O 3.58Å; I192-F208 WeakPolarHBondContact CA-O 3.33Å; I192-I209 HydrophobicContact CG1-CG1 4.43Å; I192-I209 HydrophobicContact CG1-CG2 4.41Å; I192-I209 HydrophobicContact CG2-CG1 4.17Å |
| 193 | E | 82.9 | Confident | 78.7 | Confident | 90 Ų | 90 | 77.4 Ų | 77.4 | 42% | 0.421 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 122.6 | 174.4 | -68.6 | 168 | -136.2 | 0 | 0 | 108.9 | K164 P195 C207 F208 | K164-E193 IonicContact NZ-OE1 2.94Å; K164-E193 PolarHBondContact NZ-OE1 3.48Å; K164-E193 IonicContact NZ-OE2 2.76Å; K164-E193 PolarHBondContact NZ-OE2 2.74Å; E193-P195 VanDerWaalsContact O-CD 3.3Å; E193-P195 WeakPolarHBondContact O-CD 3.22Å; E193-C207 CarbonylContact O-C 3.43Å; E193-C207 WeakPolarHBondContact O-CA 3.38Å; E193-C207 WeakPolarHBondContact O-CB 3.39Å; E193-F208 HydrophobicContact CB-CB 4.28Å; E193-F208 PolarHBondContact N-O 3.14Å; E193-F208 PolarHBondContact O-N 3.19Å |
| 194 | L | 82.9 | Confident | 77.9 | Confident | 37 Ų | 37 | 84.7 Ų | 84.7 | 19% | 0.194 | 44% | 0.442 | C | S | . | . | trans | -113.9 | 88.4 | 174.5 | -67.1 | 89.4 | 0 | 0 | 0 | 109.8 | E176 I179 I192 M196 C207 | E176-L194 HydrophobicContact CB-CD1 3.9Å; E176-L194 HydrophobicContact CG-CD1 3.9Å; I179-L194 HydrophobicContact CD1-CD2 4.05Å; I192-L194 HydrophobicContact CB-CD1 4.33Å; I192-L194 HydrophobicContact CG2-CD1 3.49Å; I192-L194 VanDerWaalsContact CG2-CD1 3.49Å; I192-L194 HydrophobicContact CG2-CG 4.39Å; L194-M196 PolarHBondContact O-N 3.26Å; L194-M196 VanDerWaalsContact O-N 3.15Å; L194-C207 HydrophobicContact CD2-CB 4.48Å; L194-C207 HydrophobicContact CG-CB 3.83Å | ||
| 195 | P | 78.9 | Confident | 77.6 | Confident | 45 Ų | 45 | 83.8 Ų | 83.8 | 29% | 0.292 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 120.4 | 175.8 | -27.4 | 38.6 | 0 | 0 | 0 | 111.5 | E193 R204 F206 F208 | E193-P195 VanDerWaalsContact O-CD 3.3Å; E193-P195 WeakPolarHBondContact O-CD 3.22Å; P195-R204 WeakPolarHBondContact O-CB 3.34Å; P195-R204 PolarHBondContact O-N 3.16Å; P195-F206 HydrophobicContact CB-CE2 3.93Å; P195-F206 HydrophobicContact CB-CZ 4.29Å; P195-F206 HydrophobicContact CG-CE2 3.83Å; P195-F208 HydrophobicContact CG-CD2 4.08Å; P195-F208 HydrophobicContact CG-CE2 4.02Å |
| 196 | M | 78.2 | Confident | 77.7 | Confident | 107 Ų | 107 | 82.4 Ų | 82.4 | 53% | 0.527 | 41% | 0.407 | S | S | . | . | B | Isolated β-bridge | trans | -87.9 | 148.3 | 172.3 | -56.9 | -173.2 | -170.8 | 0 | 0 | 109.8 | L194 N198 R203 | L194-M196 PolarHBondContact O-N 3.26Å; L194-M196 VanDerWaalsContact O-N 3.15Å; M196-N198 PolarHBondContact O-N 2.78Å; M196-R203 HydrophobicContact CG-CG 4.45Å |
| 197 | D | 75.4 | Confident | 77.9 | Confident | 49 Ų | 49 | 79.8 Ų | 79.8 | 26% | 0.262 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 119.3 | 175.1 | -176.4 | 17.9 | 0 | 0 | 0 | 109.6 | K199 T200 N201 K202 R204 | D197-K199 PolarHBondContact O-N 3.27Å; D197-K199 VanDerWaalsContact O-N 3.11Å; D197-K199 PolarHBondContact OD1-N 3.32Å; D197-T200 WeakPolarHBondContact CB-OG1 3.5Å; D197-T200 PolarHBondContact O-N 2.95Å; D197-T200 PolarHBondContact OD2-OG1 2.79Å; D197-N201 VanDerWaalsContact O-CA 3.32Å; D197-N201 WeakPolarHBondContact O-CA 3.38Å; D197-N201 PolarHBondContact O-N 2.8Å; D197-K202 WeakPolarHBondContact CB-O 3.5Å; D197-K202 PolarHBondContact N-O 2.65Å; D197-R204 HydrophobicContact CB-CG 3.76Å |
| 198 | N | 70.5 | Confident | 78.1 | Confident | 152 Ų | 152 | 81.1 Ų | 81.1 | 81% | 0.813 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -14.4 | -176.9 | -163.3 | 34 | 0 | 0 | 0 | 113.1 | M196 | M196-N198 PolarHBondContact O-N 2.78Š|
| 199 | K | 69.9 | Low | 78.1 | Confident | 192 Ų | 192 | 75.4 Ų | 75.4 | 84% | 0.835 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -30.8 | -179.7 | -64.3 | -176 | -179.8 | -177.6 | 0 | 113.7 | D197 | D197-K199 PolarHBondContact O-N 3.27Å; D197-K199 VanDerWaalsContact O-N 3.11Å; D197-K199 PolarHBondContact OD1-N 3.32Å |
| 200 | T | 70.7 | Confident | 78.1 | Confident | 78 Ų | 78 | 75.7 Ų | 75.7 | 48% | 0.479 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | -6.2 | -172.5 | 59 | 0 | 0 | 0 | 0 | 113 | D197 K202 | D197-T200 WeakPolarHBondContact CB-OG1 3.5Å; D197-T200 PolarHBondContact O-N 2.95Å; D197-T200 PolarHBondContact OD2-OG1 2.79Å; T200-K202 PolarHBondContact O-N 3.1Å |
| 201 | N | 65.9 | Low | 78.2 | Confident | 131 Ų | 131 | 69.9 Ų | 69.9 | 70% | 0.701 | 34% | 0.344 | S | S | * | . | trans | 49.6 | 18.4 | -168.9 | -91.3 | -56.1 | 0 | 0 | 0 | 113.5 | D197 | D197-N201 VanDerWaalsContact O-CA 3.32Å; D197-N201 WeakPolarHBondContact O-CA 3.38Å; D197-N201 PolarHBondContact O-N 2.8Å | ||
| 202 | K | 70.6 | Confident | 78.3 | Confident | 148 Ų | 148 | 72 Ų | 72 | 64% | 0.643 | 35% | 0.348 | S | S | * | . | trans | -90.7 | 140.8 | 174.5 | -67.5 | -178.7 | -178.9 | -174.7 | 0 | 108.3 | D197 T200 R204 | D197-K202 WeakPolarHBondContact CB-O 3.5Å; D197-K202 PolarHBondContact N-O 2.65Å; T200-K202 PolarHBondContact O-N 3.1Å; K202-R204 PolarHBondContact O-N 2.98Å | ||
| 203 | R | 69.1 | Low | 78.1 | Confident | 91 Ų | 91 | 76.7 Ų | 76.7 | 34% | 0.343 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -60 | 135.2 | 175.2 | -60.1 | -170 | -178.4 | 142 | -11.3 | 108.9 | P172 T174 M196 G205 | P172-R203 HydrophobicContact CB-CB 4.18Å; P172-R203 VanDerWaalsContact O-CD 3.31Å; P172-R203 WeakPolarHBondContact O-CD 3.34Å; P172-R203 PolarHBondContact O-NH1 2.94Å; T174-R203 PolarHBondContact O-NH1 3.35Å; M196-R203 HydrophobicContact CG-CG 4.45Å; R203-G205 PolarHBondContact O-N 3.07Å |
| 204 | R | 67.4 | Low | 78 | Confident | 152 Ų | 152 | 77.5 Ų | 77.5 | 57% | 0.574 | 37% | 0.373 | S | S | * | . | trans | -72.1 | 16.2 | -174.8 | -70.4 | -170 | 70.3 | 177 | -1.1 | 115 | P195 D197 K202 F206 | P195-R204 WeakPolarHBondContact O-CB 3.34Å; P195-R204 PolarHBondContact O-N 3.16Å; D197-R204 HydrophobicContact CB-CG 3.76Å; K202-R204 PolarHBondContact O-N 2.98Å; R204-F206 HydrophobicContact CB-CD1 3.61Å; R204-F206 HydrophobicContact CB-CE1 3.23Å; R204-F206 HydrophobicContact CB-CG 4.41Å; R204-F206 HydrophobicContact CB-CZ 3.74Å; R204-F206 HydrophobicContact CG-CE1 4.1Å; R204-F206 HydrophobicContact CG-CZ 4.35Å; R204-F206 WeakPolarHBondContact O-CD1 3.16Å; R204-F206 PolarHBondContact O-N 3.21Å; R204-F206 VanDerWaalsContact O-N 3.12Å | ||
| 205 | G | 77 | Confident | 78 | Confident | 19 Ų | 19 | 80.6 Ų | 80.6 | 20% | 0.196 | 39% | 0.386 | C | S | . | . | S | Bend | trans | 59.2 | 21.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G169 L170 R203 | G169-G205 PolarHBondContact N-O 2.76Å; L170-G205 PolarHBondContact N-O 2.87Å; L170-G205 CarbonylContact O-C 3.54Å; L170-G205 WeakPolarHBondContact O-CA 3.27Å; R203-G205 PolarHBondContact O-N 3.07Å |
| 206 | F | 84.3 | Confident | 78.1 | Confident | 41 Ų | 41 | 78.7 Ų | 78.7 | 18% | 0.18 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 154 | 172.3 | 65 | -102.7 | 0 | 0 | 0 | 110.8 | F166 V167 P195 R204 F208 | F166-F206 HydrophobicContact CD2-CB 4.47Å; F166-F206 HydrophobicContact CD2-CD2 4.31Å; F166-F206 HydrophobicContact CE2-CB 3.55Å; F166-F206 HydrophobicContact CE2-CD1 4.28Å; F166-F206 AromaticContact CE2-CD2 3.6Å; F166-F206 HydrophobicContact CE2-CD2 3.6Å; F166-F206 HydrophobicContact CE2-CE2 4.35Å; F166-F206 AromaticContact CE2-CG 3.58Å; F166-F206 HydrophobicContact CE2-CG 3.58Å; F166-F206 HydrophobicContact CZ-CB 3.65Å; F166-F206 HydrophobicContact CZ-CD1 4.48Å; F166-F206 HydrophobicContact CZ-CD2 4.47Å; F166-F206 HydrophobicContact CZ-CG 4Å; V167-F206 CarbonylContact O-C 3.46Å; V167-F206 WeakPolarHBondContact O-CA 3.5Å; V167-F206 WeakPolarHBondContact O-CB 3.27Å; P195-F206 HydrophobicContact CB-CE2 3.93Å; P195-F206 HydrophobicContact CB-CZ 4.29Å; P195-F206 HydrophobicContact CG-CE2 3.83Å; R204-F206 HydrophobicContact CB-CD1 3.61Å; R204-F206 HydrophobicContact CB-CE1 3.23Å; R204-F206 HydrophobicContact CB-CG 4.41Å; R204-F206 HydrophobicContact CB-CZ 3.74Å; R204-F206 HydrophobicContact CG-CE1 4.1Å; R204-F206 HydrophobicContact CG-CZ 4.35Å; R204-F206 WeakPolarHBondContact O-CD1 3.16Å; R204-F206 PolarHBondContact O-N 3.21Å; R204-F206 VanDerWaalsContact O-N 3.12Å; F206-F208 HydrophobicContact CD2-CE2 4.05Å; F206-F208 AromaticContact CE2-CE2 3.77Å; F206-F208 HydrophobicContact CE2-CE2 3.77Å; F206-F208 HydrophobicContact CE2-CZ 4.39Å |
| 207 | C | 85.1 | Confident | 78.2 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 163.3 | 170.6 | 75.5 | 0 | 0 | 0 | 0 | 110.7 | V167 L170 I192 E193 L194 | V167-C207 PolarHBondContact N-O 3.04Å; V167-C207 PolarHBondContact O-N 2.86Å; L170-C207 HydrophobicContact CD1-CB 3.84Å; L170-C207 WeakPolarHBondContact CD1-SG 3.49Å; I192-C207 HydrophobicContact CG2-CB 4.39Å; E193-C207 CarbonylContact O-C 3.43Å; E193-C207 WeakPolarHBondContact O-CA 3.38Å; E193-C207 WeakPolarHBondContact O-CB 3.39Å; L194-C207 HydrophobicContact CD2-CB 4.48Å; L194-C207 HydrophobicContact CG-CB 3.83Å |
| 208 | F | 87.6 | Confident | 78.5 | Confident | 46 Ų | 46 | 78.7 Ų | 78.7 | 20% | 0.202 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 136.6 | 166.1 | -60.5 | -90.3 | 0 | 0 | 0 | 109.3 | K164 I165 F166 I192 E193 P195 F206 A238 | K164-F208 HydrophobicContact CD-CB 4.41Å; K164-F208 HydrophobicContact CG-CB 4.31Å; I165-F208 CarbonylContact O-C 3.55Å; I165-F208 VanDerWaalsContact O-CA 3.27Å; I165-F208 WeakPolarHBondContact O-CA 3.4Å; F166-F208 HydrophobicContact CB-CD1 4.12Å; F166-F208 HydrophobicContact CB-CE1 4.03Å; F166-F208 HydrophobicContact CD2-CD1 4.12Å; F166-F208 AromaticContact CD2-CE1 3.58Å; F166-F208 HydrophobicContact CD2-CE1 3.58Å; F166-F208 HydrophobicContact CD2-CE2 4.47Å; F166-F208 AromaticContact CD2-CZ 3.77Å; F166-F208 HydrophobicContact CD2-CZ 3.77Å; F166-F208 HydrophobicContact CE2-CZ 4.35Å; F166-F208 HydrophobicContact CG-CE1 4.28Å; I192-F208 CarbonylContact C-O 3.58Å; I192-F208 WeakPolarHBondContact CA-O 3.33Å; E193-F208 HydrophobicContact CB-CB 4.28Å; E193-F208 PolarHBondContact N-O 3.14Å; E193-F208 PolarHBondContact O-N 3.19Å; P195-F208 HydrophobicContact CG-CD2 4.08Å; P195-F208 HydrophobicContact CG-CE2 4.02Å; F206-F208 HydrophobicContact CD2-CE2 4.05Å; F206-F208 AromaticContact CE2-CE2 3.77Å; F206-F208 HydrophobicContact CE2-CE2 3.77Å; F206-F208 HydrophobicContact CE2-CZ 4.39Å; F208-A238 HydrophobicContact CD1-CB 3.86Å; F208-A238 HydrophobicContact CE1-CB 4.18Å |
| 209 | I | 86.6 | Confident | 79 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 125 | 178.7 | -55.4 | 175.9 | 0 | 0 | 0 | 107.3 | K164 I165 V167 I179 F183 V189 S191 I192 F211 | K164-I209 CarbonylContact C-O 3.58Å; K164-I209 VanDerWaalsContact CA-O 3.27Å; K164-I209 WeakPolarHBondContact CA-O 3.48Å; I165-I209 HydrophobicContact CD1-CB 4.22Å; I165-I209 HydrophobicContact CD1-CD1 4.3Å; I165-I209 HydrophobicContact CG1-CB 3.74Å; I165-I209 HydrophobicContact CG1-CG1 4.47Å; I165-I209 PolarHBondContact N-O 3.47Å; I165-I209 PolarHBondContact O-N 3.18Å; V167-I209 HydrophobicContact CG2-CD1 3.79Å; V167-I209 HydrophobicContact CG2-CG1 4.25Å; I179-I209 HydrophobicContact CG2-CD1 3.54Å; I179-I209 HydrophobicContact CG2-CG1 4.27Å; F183-I209 HydrophobicContact CB-CD1 3.98Å; F183-I209 HydrophobicContact CD1-CD1 4.02Å; F183-I209 HydrophobicContact CD2-CD1 3.13Å; F183-I209 HydrophobicContact CE1-CD1 4.32Å; F183-I209 HydrophobicContact CE2-CD1 3.5Å; F183-I209 HydrophobicContact CG-CD1 3.42Å; F183-I209 VanDerWaalsContact CG-CD1 3.42Å; F183-I209 HydrophobicContact CZ-CD1 4.09Å; V189-I209 HydrophobicContact CB-CG2 4.4Å; V189-I209 HydrophobicContact CG1-CG2 3.62Å; V189-I209 HydrophobicContact CG2-CG2 3.97Å; S191-I209 WeakPolarHBondContact O-CA 3.17Å; I192-I209 HydrophobicContact CG1-CG1 4.43Å; I192-I209 HydrophobicContact CG1-CG2 4.41Å; I192-I209 HydrophobicContact CG2-CG1 4.17Å; I209-F211 HydrophobicContact CB-CE2 4.3Å; I209-F211 HydrophobicContact CG2-CD2 4.14Å; I209-F211 HydrophobicContact CG2-CE1 4.43Å; I209-F211 HydrophobicContact CG2-CE2 3.71Å; I209-F211 HydrophobicContact CG2-CZ 3.87Å |
| 210 | T | 86.2 | Confident | 79.5 | Confident | 22 Ų | 22 | 67.6 Ų | 67.6 | 14% | 0.135 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 123.3 | 171.9 | -45.3 | 0 | 0 | 0 | 0 | 108 | K163 E190 S191 | K163-T210 HydrophobicContact CB-CG2 4.44Å; K163-T210 CarbonylContact O-C 3.56Å; K163-T210 WeakPolarHBondContact O-CA 3.38Å; E190-T210 WeakPolarHBondContact CA-O 3.37Å; E190-T210 WeakPolarHBondContact CB-O 3.17Å; E190-T210 PolarHBondContact N-O 2.93Å; S191-T210 PolarHBondContact N-O 3.15Å; S191-T210 VanDerWaalsContact N-O 3.15Å; S191-T210 PolarHBondContact O-N 3Å; S191-T210 VanDerWaalsContact OG-CB 3.23Å; S191-T210 WeakPolarHBondContact OG-CB 3.45Å; S191-T210 PolarHBondContact OG-OG1 2.72Å; S191-T210 VanDerWaalsContact OG-OG1 3.06Å |
| 211 | F | 86.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 153.1 | 173.2 | -69.8 | -86.4 | 0 | 0 | 0 | 110.6 | K163 I165 F183 E188 V189 I209 E213 P216 V217 I220 | K163-F211 WeakPolarHBondContact CB-O 3.46Å; K163-F211 PolarHBondContact O-N 3.44Å; I165-F211 HydrophobicContact CD1-CE2 3.59Å; I165-F211 HydrophobicContact CD1-CZ 4.29Å; I165-F211 HydrophobicContact CG1-CD2 4.46Å; I165-F211 HydrophobicContact CG1-CE2 3.83Å; F183-F211 HydrophobicContact CB-CE1 4.44Å; F183-F211 HydrophobicContact CB-CZ 4.03Å; F183-F211 HydrophobicContact CD1-CZ 4.18Å; F183-F211 HydrophobicContact CG-CZ 4.48Å; E188-F211 WeakPolarHBondContact O-CA 3.29Å; V189-F211 HydrophobicContact CG2-CD1 4.03Å; V189-F211 HydrophobicContact CG2-CE1 3.6Å; V189-F211 HydrophobicContact CG2-CZ 4.25Å; I209-F211 HydrophobicContact CB-CE2 4.3Å; I209-F211 HydrophobicContact CG2-CD2 4.14Å; I209-F211 HydrophobicContact CG2-CE1 4.43Å; I209-F211 HydrophobicContact CG2-CE2 3.71Å; I209-F211 HydrophobicContact CG2-CZ 3.87Å; F211-E213 VanDerWaalsContact C-N 3.32Å; F211-E213 VanDerWaalsContact CB-O 3.25Å; F211-E213 WeakPolarHBondContact CB-O 3.31Å; F211-P216 HydrophobicContact CD1-CB 3.72Å; F211-P216 HydrophobicContact CD1-CG 4.01Å; F211-P216 HydrophobicContact CE1-CB 3.85Å; F211-P216 HydrophobicContact CG-CB 4.07Å; F211-P216 HydrophobicContact CG-CG 4.38Å; F211-P216 HydrophobicContact CZ-CB 4.29Å; F211-V217 HydrophobicContact CB-CG2 4.4Å; F211-V217 HydrophobicContact CD2-CG2 3.64Å; F211-V217 HydrophobicContact CE2-CG2 4.3Å; F211-V217 HydrophobicContact CG-CG2 4.31Å; F211-I220 HydrophobicContact CE1-CD1 4.33Å; F211-I220 HydrophobicContact CE2-CD1 3.74Å; F211-I220 HydrophobicContact CZ-CD1 3.43Å; F211-I220 VanDerWaalsContact CZ-CD1 3.43Å |
| 212 | K | 83.6 | Confident | 80.6 | Confident | 90 Ų | 90 | 68.7 Ų | 68.7 | 39% | 0.391 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -66.3 | -39.6 | 170.9 | -67.7 | -170.4 | -179.9 | 176.1 | 0 | 111.8 | K163 E188 E190 | K163-K212 PolarHBondContact NZ-O 3.04Å; E188-K212 HydrophobicContact CB-CD 4.41Å; E188-K212 VanDerWaalsContact CD-NZ 3.26Å; E188-K212 HydrophobicContact CG-CD 4.06Å; E188-K212 PolarHBondContact O-N 2.85Å; E188-K212 VanDerWaalsContact OE1-CE 3.28Å; E188-K212 WeakPolarHBondContact OE1-CE 3.48Å; E188-K212 IonicContact OE1-NZ 2.59Å; E188-K212 PolarHBondContact OE1-NZ 2.83Å; E188-K212 WeakPolarHBondContact OE2-CD 3.39Å; E188-K212 IonicContact OE2-NZ 3.44Å; E188-K212 PolarHBondContact OE2-NZ 3.18Å; E190-K212 HydrophobicContact CB-CG 3.96Å; E190-K212 HydrophobicContact CG-CG 4.42Å |
| 213 | E | 80.8 | Confident | 80.9 | Confident | 120 Ų | 120 | 67.3 Ų | 67.3 | 56% | 0.561 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -108.2 | 156.4 | -176.3 | -64.3 | -59.1 | 151.2 | 0 | 0 | 112.3 | F211 P216 | F211-E213 VanDerWaalsContact C-N 3.32Å; F211-E213 VanDerWaalsContact CB-O 3.25Å; F211-E213 WeakPolarHBondContact CB-O 3.31Å; E213-P216 HydrophobicContact CB-CG 4.32Å; E213-P216 WeakPolarHBondContact O-CD 3.3Å |
| 214 | E | 80.9 | Confident | 81 | Confident | 107 Ų | 107 | 71 Ų | 71 | 50% | 0.5 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -87.7 | -21.7 | 175.7 | 64.2 | 173.3 | 158.6 | 0 | 0 | 113.8 | P161 P216 V217 K218 | P161-E214 HydrophobicContact CB-CB 4.12Å; P161-E214 WeakPolarHBondContact CB-OE2 3.26Å; E214-P216 VanDerWaalsContact C-CD 3.43Å; E214-V217 WeakPolarHBondContact O-CB 3.33Å; E214-V217 PolarHBondContact O-N 2.85Å; E214-V217 VanDerWaalsContact O-N 3.09Å; E214-K218 PolarHBondContact O-N 3.21Å; E214-K218 VanDerWaalsContact O-N 3.14Å |
| 215 | E | 82 | Confident | 81.5 | Confident | 103 Ų | 103 | 70 Ų | 70 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -53 | -45.5 | 177.3 | -78.1 | -69.8 | 142.1 | 0 | 0 | 113.6 | V217 K218 K219 | E215-V217 VanDerWaalsContact C-N 3.3Å; E215-V217 PolarHBondContact O-N 2.86Å; E215-K218 PolarHBondContact O-N 3.09Å; E215-K219 WeakPolarHBondContact O-CG 3.33Å; E215-K219 PolarHBondContact O-N 2.92Å |
| 216 | P | 81.5 | Confident | 81.6 | Confident | 5 Ų | 5 | 69.1 Ų | 69.1 | 3% | 0.032 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 177.1 | -21.7 | 35.7 | 0 | 0 | 0 | 111.3 | F186 F211 E213 E214 K218 K219 I220 | F186-P216 HydrophobicContact CB-CB 4.46Å; F186-P216 WeakPolarHBondContact O-CB 3.42Å; F211-P216 HydrophobicContact CD1-CB 3.72Å; F211-P216 HydrophobicContact CD1-CG 4.01Å; F211-P216 HydrophobicContact CE1-CB 3.85Å; F211-P216 HydrophobicContact CG-CB 4.07Å; F211-P216 HydrophobicContact CG-CG 4.38Å; F211-P216 HydrophobicContact CZ-CB 4.29Å; E213-P216 HydrophobicContact CB-CG 4.32Å; E213-P216 WeakPolarHBondContact O-CD 3.3Å; E214-P216 VanDerWaalsContact C-CD 3.43Å; P216-K218 VanDerWaalsContact C-N 3.34Å; P216-K218 PolarHBondContact O-N 3.3Å; P216-K219 PolarHBondContact O-N 2.79Å; P216-I220 HydrophobicContact CB-CD1 4.39Å; P216-I220 VanDerWaalsContact O-CB 3.28Å; P216-I220 WeakPolarHBondContact O-CB 3.35Å; P216-I220 VanDerWaalsContact O-CD1 3.28Å; P216-I220 WeakPolarHBondContact O-CD1 3.33Å; P216-I220 WeakPolarHBondContact O-CG1 3.46Å; P216-I220 PolarHBondContact O-N 2.84Å |
| 217 | V | 80.8 | Confident | 81.3 | Confident | 5 Ų | 5 | 72.2 Ų | 72.2 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | -178.4 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | V162 I165 F211 E214 E215 I220 M221 | V162-V217 HydrophobicContact CG2-CG1 4.46Å; V162-V217 WeakPolarHBondContact O-CG1 3.23Å; V162-V217 WeakPolarHBondContact O-CG2 3.44Å; I165-V217 HydrophobicContact CG2-CB 4.03Å; I165-V217 HydrophobicContact CG2-CG1 3.41Å; I165-V217 VanDerWaalsContact CG2-CG1 3.41Å; I165-V217 HydrophobicContact CG2-CG2 3.73Å; F211-V217 HydrophobicContact CB-CG2 4.4Å; F211-V217 HydrophobicContact CD2-CG2 3.64Å; F211-V217 HydrophobicContact CE2-CG2 4.3Å; F211-V217 HydrophobicContact CG-CG2 4.31Å; E214-V217 WeakPolarHBondContact O-CB 3.33Å; E214-V217 PolarHBondContact O-N 2.85Å; E214-V217 VanDerWaalsContact O-N 3.09Å; E215-V217 VanDerWaalsContact C-N 3.3Å; E215-V217 PolarHBondContact O-N 2.86Å; V217-I220 PolarHBondContact O-N 3.4Å; V217-M221 HydrophobicContact CG1-CE 3.4Å; V217-M221 HydrophobicContact CG1-CG 4.43Å; V217-M221 HydrophobicContact CG1-SD 4.02Å; V217-M221 WeakPolarHBondContact O-CB 3.29Å; V217-M221 VanDerWaalsContact O-CG 3.28Å; V217-M221 WeakPolarHBondContact O-CG 3.38Å; V217-M221 PolarHBondContact O-N 3.14Å |
| 218 | K | 81 | Confident | 80.8 | Confident | 150 Ų | 150 | 72.3 Ų | 72.3 | 65% | 0.652 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.5 | -45.9 | 178.3 | -169 | 177.3 | 178.5 | -176.4 | 0 | 111.9 | E214 E215 P216 I220 M221 E222 | E214-K218 PolarHBondContact O-N 3.21Å; E214-K218 VanDerWaalsContact O-N 3.14Å; E215-K218 PolarHBondContact O-N 3.09Å; P216-K218 VanDerWaalsContact C-N 3.34Å; P216-K218 PolarHBondContact O-N 3.3Å; K218-I220 VanDerWaalsContact C-N 3.32Å; K218-I220 PolarHBondContact O-N 2.85Å; K218-M221 PolarHBondContact O-N 3.08Å; K218-E222 PolarHBondContact O-N 3.15Å; K218-E222 VanDerWaalsContact O-N 3.1Å |
| 219 | K | 81.3 | Confident | 80 | Confident | 111 Ų | 111 | 72.9 Ų | 72.9 | 48% | 0.483 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63 | -38.9 | 176.6 | -70.2 | 174.9 | -174.9 | 172.5 | 0 | 112.3 | E215 P216 | E215-K219 WeakPolarHBondContact O-CG 3.33Å; E215-K219 PolarHBondContact O-N 2.92Å; P216-K219 PolarHBondContact O-N 2.79Å |
| 220 | I | 81.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.2 | -38.5 | 177.6 | -69.1 | 164.9 | 0 | 0 | 0 | 110.4 | I165 F183 F186 F211 P216 V217 K218 E222 K223 H226 I235 | I165-I220 HydrophobicContact CD1-CD1 4.15Å; I165-I220 HydrophobicContact CD1-CG2 4.16Å; F183-I220 HydrophobicContact CD1-CD1 3.76Å; F183-I220 HydrophobicContact CE1-CD1 4.16Å; F183-I220 HydrophobicContact CE1-CG2 4.18Å; F186-I220 HydrophobicContact CB-CD1 3.93Å; F186-I220 HydrophobicContact CB-CG1 4Å; F186-I220 HydrophobicContact CD1-CG1 4.12Å; F186-I220 HydrophobicContact CD2-CG1 4.48Å; F186-I220 HydrophobicContact CG-CD1 4.29Å; F186-I220 HydrophobicContact CG-CG1 3.94Å; F211-I220 HydrophobicContact CE1-CD1 4.33Å; F211-I220 HydrophobicContact CE2-CD1 3.74Å; F211-I220 HydrophobicContact CZ-CD1 3.43Å; F211-I220 VanDerWaalsContact CZ-CD1 3.43Å; P216-I220 HydrophobicContact CB-CD1 4.39Å; P216-I220 VanDerWaalsContact O-CB 3.28Å; P216-I220 WeakPolarHBondContact O-CB 3.35Å; P216-I220 VanDerWaalsContact O-CD1 3.28Å; P216-I220 WeakPolarHBondContact O-CD1 3.33Å; P216-I220 WeakPolarHBondContact O-CG1 3.46Å; P216-I220 PolarHBondContact O-N 2.84Å; V217-I220 PolarHBondContact O-N 3.4Å; K218-I220 VanDerWaalsContact C-N 3.32Å; K218-I220 PolarHBondContact O-N 2.85Å; I220-E222 VanDerWaalsContact C-N 3.34Å; I220-E222 PolarHBondContact O-N 3.02Å; I220-K223 PolarHBondContact O-N 2.9Å; I220-H226 PolarHBondContact O-NE2 3.43Å; I220-I235 HydrophobicContact CG2-CB 4.18Å; I220-I235 HydrophobicContact CG2-CD1 3.16Å; I220-I235 HydrophobicContact CG2-CG1 4.24Å; I220-I235 HydrophobicContact CG2-CG2 3.73Å |
| 221 | M | 79.2 | Confident | 78.6 | Confident | 66 Ų | 66 | 81.9 Ų | 81.9 | 33% | 0.325 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -70.2 | -26.2 | 177.6 | -77.1 | -177.8 | -173.4 | 0 | 0 | 114.4 | V162 I165 V217 K218 K223 V237 | V162-M221 HydrophobicContact CG2-CE 4.3Å; I165-M221 HydrophobicContact CG2-CE 4.18Å; V217-M221 HydrophobicContact CG1-CE 3.4Å; V217-M221 HydrophobicContact CG1-CG 4.43Å; V217-M221 HydrophobicContact CG1-SD 4.02Å; V217-M221 WeakPolarHBondContact O-CB 3.29Å; V217-M221 VanDerWaalsContact O-CG 3.28Å; V217-M221 WeakPolarHBondContact O-CG 3.38Å; V217-M221 PolarHBondContact O-N 3.14Å; K218-M221 PolarHBondContact O-N 3.08Å; M221-K223 PolarHBondContact O-N 3.14Å; M221-V237 VanDerWaalsContact CE-CA 3.43Å; M221-V237 HydrophobicContact CE-CB 3.8Å; M221-V237 HydrophobicContact CE-CG2 3.15Å; M221-V237 HydrophobicContact SD-CG2 3.58Å; M221-V237 VanDerWaalsContact SD-CG2 3.58Å |
| 222 | E | 78.9 | Confident | 78.4 | Confident | 167 Ų | 167 | 87.8 Ų | 87.8 | 78% | 0.78 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.7 | -35.5 | 175 | -168.4 | 174.5 | 179.4 | 0 | 0 | 111.4 | K218 I220 | K218-E222 PolarHBondContact O-N 3.15Å; K218-E222 VanDerWaalsContact O-N 3.1Å; I220-E222 VanDerWaalsContact C-N 3.34Å; I220-E222 PolarHBondContact O-N 3.02Å |
| 223 | K | 76.6 | Confident | 78.4 | Confident | 118 Ų | 118 | 83.5 Ų | 83.5 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -89.1 | 111.1 | 173 | -69.6 | 179.1 | -175.4 | 178.7 | 0 | 110.1 | I220 M221 Y225 H226 | I220-K223 PolarHBondContact O-N 2.9Å; M221-K223 PolarHBondContact O-N 3.14Å; K223-Y225 PolarHBondContact O-N 3.41Å; K223-Y225 VanDerWaalsContact O-N 3.15Å; K223-H226 WeakPolarHBondContact CB-NE2 3.42Å; K223-H226 PolarHBondContact O-CD2 3.39Å; K223-H226 PolarHBondContact O-NE2 2.72Å |
| 224 | K | 71.1 | Confident | 78.5 | Confident | 169 Ų | 169 | 81.6 Ų | 81.6 | 74% | 0.735 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -59 | -26.7 | 179.5 | -74 | -175.6 | 176.4 | 178.8 | 0 | 114.6 | ||
| 225 | Y | 78.8 | Confident | 78.7 | Confident | 130 Ų | 130 | 77.4 Ų | 77.4 | 51% | 0.51 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 141.8 | -178.9 | -59 | -74.4 | 0 | 0 | 0 | 110.7 | K223 K232 C233 | K223-Y225 PolarHBondContact O-N 3.41Å; K223-Y225 VanDerWaalsContact O-N 3.15Å; Y225-K232 VanDerWaalsContact CB-CE 3.46Å; Y225-K232 HydrophobicContact CD1-CD 4.28Å; Y225-K232 HydrophobicContact CD1-CG 4.21Å; Y225-K232 HydrophobicContact CG-CD 4.36Å; Y225-K232 HydrophobicContact CG-CG 4.41Å; Y225-C233 WeakPolarHBondContact CA-O 3.28Å |
| 226 | H | 79.9 | Confident | 78.7 | Confident | 2 Ų | 2 | 77.7 Ų | 77.7 | 1% | 0.009 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142.3 | 176.9 | -68.5 | -102.6 | 0 | 0 | 0 | 109.3 | Y182 I220 K223 C233 I235 | Y182-H226 HydrophobicContact CE1-CB 3.97Å; Y182-H226 AromaticContact CE1-ND1 3.75Å; Y182-H226 AromaticContact CZ-ND1 3.95Å; Y182-H226 PolarHBondContact OH-ND1 3.26Å; I220-H226 PolarHBondContact O-NE2 3.43Å; K223-H226 WeakPolarHBondContact CB-NE2 3.42Å; K223-H226 PolarHBondContact O-CD2 3.39Å; K223-H226 PolarHBondContact O-NE2 2.72Å; H226-C233 PolarHBondContact N-O 3.38Å; H226-C233 WeakPolarHBondContact O-CA 3.45Å; H226-C233 WeakPolarHBondContact O-CB 3.38Å; H226-C233 PolarHBondContact O-N 2.79Å; H226-I235 HydrophobicContact CB-CD1 4.01Å; H226-I235 WeakPolarHBondContact CD2-CD1 3.5Å |
| 227 | N | 77.4 | Confident | 78.6 | Confident | 106 Ų | 106 | 80.2 Ų | 80.2 | 57% | 0.567 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 110.9 | 177.8 | -69.4 | -10.4 | 0 | 0 | 0 | 108.2 | Y182 | Y182-N227 WeakPolarHBondContact CE2-O 3.35Å |
| 228 | V | 74.9 | Confident | 78 | Confident | 2 Ų | 2 | 80.3 Ų | 80.3 | 1% | 0.012 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 106.4 | 175.5 | -173.1 | 0 | 0 | 0 | 0 | 107.5 | L170 T174 I179 Y182 F183 L230 S231 C233 | L170-V228 HydrophobicContact CD2-CB 3.88Å; L170-V228 HydrophobicContact CD2-CG1 4.03Å; L170-V228 HydrophobicContact CD2-CG2 4.35Å; T174-V228 HydrophobicContact CG2-CG1 4.2Å; I179-V228 HydrophobicContact CG1-CG1 4.13Å; Y182-V228 HydrophobicContact CD1-CG2 3.85Å; Y182-V228 HydrophobicContact CE1-CG2 4.16Å; Y182-V228 HydrophobicContact CG-CG2 4.23Å; F183-V228 HydrophobicContact CE2-CG2 3.9Å; F183-V228 HydrophobicContact CZ-CG2 4.21Å; V228-L230 PolarHBondContact O-N 3.1Å; V228-S231 PolarHBondContact N-O 2.89Å; V228-S231 VanDerWaalsContact N-O 3.1Å; V228-S231 PolarHBondContact O-N 3.06Å; V228-C233 HydrophobicContact CG2-CB 4.45Å |
| 229 | G | 71.1 | Confident | 77.1 | Confident | 58 Ų | 58 | 76.9 Ų | 76.9 | 60% | 0.598 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | -121.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 230 | L | 67 | Low | 75.9 | Confident | 185 Ų | 185 | 74 Ų | 74 | 97% | 0.969 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -0.3 | -179.4 | -67.1 | 168 | 0 | 0 | 0 | 113.1 | V228 | V228-L230 PolarHBondContact O-N 3.1Š|
| 231 | S | 75.8 | Confident | 74.8 | Confident | 25 Ų | 25 | 82.5 Ų | 82.5 | 18% | 0.175 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 140.3 | -172.6 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | G169 S171 V228 | G169-S231 WeakPolarHBondContact O-CB 3.37Å; S171-S231 WeakPolarHBondContact CB-OG 3.14Å; S171-S231 PolarHBondContact N-OG 2.78Å; V228-S231 PolarHBondContact N-O 2.89Å; V228-S231 VanDerWaalsContact N-O 3.1Å; V228-S231 PolarHBondContact O-N 3.06Å |
| 232 | K | 81.9 | Confident | 73.7 | Confident | 124 Ų | 124 | 86.4 Ų | 86.4 | 54% | 0.539 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 113.4 | 172.2 | -177.4 | 177.3 | 176.6 | -179.2 | 0 | 108.9 | Y225 | Y225-K232 VanDerWaalsContact CB-CE 3.46Å; Y225-K232 HydrophobicContact CD1-CD 4.28Å; Y225-K232 HydrophobicContact CD1-CG 4.21Å; Y225-K232 HydrophobicContact CG-CD 4.36Å; Y225-K232 HydrophobicContact CG-CG 4.41Å |
| 233 | C | 83.6 | Confident | 72.5 | Confident | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 136.3 | -178 | -52.4 | 0 | 0 | 0 | 0 | 111.4 | V167 G168 L170 Y225 H226 V228 | V167-C233 HydrophobicContact CG1-CB 3.74Å; G168-C233 CarbonylContact O-C 3.57Å; G168-C233 WeakPolarHBondContact O-CA 3.49Å; G168-C233 WeakPolarHBondContact O-CB 3.5Å; L170-C233 WeakPolarHBondContact CD2-SG 3.37Å; Y225-C233 WeakPolarHBondContact CA-O 3.28Å; H226-C233 PolarHBondContact N-O 3.38Å; H226-C233 WeakPolarHBondContact O-CA 3.45Å; H226-C233 WeakPolarHBondContact O-CB 3.38Å; H226-C233 PolarHBondContact O-N 2.79Å; V228-C233 HydrophobicContact CG2-CB 4.45Å |
| 234 | E | 83.4 | Confident | 71.7 | Confident | 81 Ų | 81 | 83.1 Ų | 83.1 | 38% | 0.379 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 132.3 | 170.2 | -176.2 | -175.4 | 161.3 | 0 | 0 | 108.9 | V167 G168 K236 | V167-E234 CarbonylContact C-O 3.55Å; V167-E234 WeakPolarHBondContact CA-O 3.41Å; G168-E234 PolarHBondContact N-O 2.73Å; G168-E234 PolarHBondContact O-N 2.87Å; E234-K236 HydrophobicContact CG-CG 4.31Å; E234-K236 WeakPolarHBondContact OE1-CD 3.11Å; E234-K236 WeakPolarHBondContact OE1-CE 3.31Å; E234-K236 IonicContact OE1-NZ 2.73Å; E234-K236 PolarHBondContact OE1-NZ 2.99Å |
| 235 | I | 84.9 | Confident | 71 | Confident | 19 Ų | 19 | 81.2 Ų | 81.2 | 10% | 0.097 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.3 | 179.7 | -55.1 | -177.2 | 0 | 0 | 0 | 109.7 | I165 F166 V167 F183 I220 H226 | I165-I235 HydrophobicContact CB-CG2 4.06Å; I165-I235 HydrophobicContact CD1-CG2 3.97Å; I165-I235 HydrophobicContact CG2-CG2 4.49Å; F166-I235 CarbonylContact O-C 3.54Å; F166-I235 VanDerWaalsContact O-CA 3.31Å; F166-I235 WeakPolarHBondContact O-CA 3.49Å; V167-I235 HydrophobicContact CG1-CG1 4.26Å; V167-I235 HydrophobicContact CG2-CD1 4.36Å; V167-I235 HydrophobicContact CG2-CG1 4.22Å; F183-I235 HydrophobicContact CE1-CD1 3.53Å; F183-I235 HydrophobicContact CZ-CD1 3.66Å; I220-I235 HydrophobicContact CG2-CB 4.18Å; I220-I235 HydrophobicContact CG2-CD1 3.16Å; I220-I235 HydrophobicContact CG2-CG1 4.24Å; I220-I235 HydrophobicContact CG2-CG2 3.73Å; H226-I235 HydrophobicContact CB-CD1 4.01Å; H226-I235 WeakPolarHBondContact CD2-CD1 3.5Å |
| 236 | K | 82.6 | Confident | 69.9 | Low | 108 Ų | 108 | 80.1 Ų | 80.1 | 47% | 0.47 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 155.2 | 177.5 | -55 | -178.8 | 103.1 | 113.9 | 0 | 109.2 | F166 E234 A238 | F166-K236 HydrophobicContact CB-CB 4.39Å; F166-K236 HydrophobicContact CD1-CB 4.06Å; F166-K236 HydrophobicContact CD1-CD 4.21Å; F166-K236 HydrophobicContact CD1-CG 4.2Å; F166-K236 HydrophobicContact CE1-CD 4.45Å; F166-K236 PolarHBondContact N-O 3.44Å; F166-K236 PolarHBondContact O-N 2.95Å; E234-K236 HydrophobicContact CG-CG 4.31Å; E234-K236 WeakPolarHBondContact OE1-CD 3.11Å; E234-K236 WeakPolarHBondContact OE1-CE 3.31Å; E234-K236 IonicContact OE1-NZ 2.73Å; E234-K236 PolarHBondContact OE1-NZ 2.99Å; K236-A238 PolarHBondContact O-N 3.13Å |
| 237 | V | 79.5 | Confident | 68.8 | Low | 59 Ų | 59 | 85.5 Ų | 85.5 | 36% | 0.358 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 121.2 | 165.3 | 172.5 | 0 | 0 | 0 | 0 | 107.9 | V162 M221 M239 | V162-V237 HydrophobicContact CB-CG1 3.75Å; V162-V237 HydrophobicContact CG1-CG1 3.47Å; V162-V237 VanDerWaalsContact CG1-CG1 3.47Å; V162-V237 HydrophobicContact CG2-CB 4.25Å; V162-V237 HydrophobicContact CG2-CG1 3.44Å; V162-V237 VanDerWaalsContact CG2-CG1 3.44Å; V162-V237 HydrophobicContact CG2-CG2 4.14Å; M221-V237 VanDerWaalsContact CE-CA 3.43Å; M221-V237 HydrophobicContact CE-CB 3.8Å; M221-V237 HydrophobicContact CE-CG2 3.15Å; M221-V237 HydrophobicContact SD-CG2 3.58Å; M221-V237 VanDerWaalsContact SD-CG2 3.58Å; V237-M239 PolarHBondContact O-N 2.94Å |
| 238 | A | 67.6 | Low | 67.7 | Low | 6 Ų | 6 | 85.8 Ų | 85.8 | 5% | 0.05 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 116.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | K164 F166 F208 K236 | K164-A238 HydrophobicContact CB-CB 3.89Å; K164-A238 HydrophobicContact CD-CB 4.35Å; K164-A238 HydrophobicContact CG-CB 3.68Å; K164-A238 WeakPolarHBondContact O-CB 3.09Å; K164-A238 PolarHBondContact O-N 3.12Å; K164-A238 VanDerWaalsContact O-N 3.1Å; F166-A238 HydrophobicContact CB-CB 4.32Å; F208-A238 HydrophobicContact CD1-CB 3.86Å; F208-A238 HydrophobicContact CE1-CB 4.18Å; K236-A238 PolarHBondContact O-N 3.13Å |
| 239 | M | 61.9 | Low | 66.5 | Low | 78 Ų | 78 | 92.5 Ų | 92.5 | 38% | 0.384 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 142.5 | 167.1 | -64.6 | -176.5 | -69.8 | 0 | 0 | 108.3 | V237 Q243 Y244 | V237-M239 PolarHBondContact O-N 2.94Å; M239-Q243 HydrophobicContact CB-CB 4.15Å; M239-Y244 HydrophobicContact CE-CD2 4.11Å |
| 240 | S | 57.1 | Low | 65.2 | Low | 52 Ų | 52 | 97.7 Ų | 97.7 | 36% | 0.364 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 150.5 | 173.4 | 72.1 | 0 | 0 | 0 | 0 | 109.8 | E242 Q243 Y244 | S240-E242 PolarHBondContact O-N 3.3Å; S240-E242 VanDerWaalsContact O-N 3.09Å; S240-Q243 PolarHBondContact O-N 2.96Å; S240-Q243 PolarHBondContact OG-N 3.31Å; S240-Q243 VanDerWaalsContact OG-N 3.16Å; S240-Y244 PolarHBondContact O-N 3.43Å |
| 241 | K | 57.2 | Low | 63.9 | Low | 178 Ų | 178 | 92 Ų | 92 | 77% | 0.774 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -53.2 | -34.5 | 178.4 | -169.5 | 177 | -179.7 | -177.1 | 0 | 111.3 | Q245 | K241-Q245 WeakPolarHBondContact O-CB 3.47Å; K241-Q245 PolarHBondContact O-N 3.04Å |
| 242 | E | 56.9 | Low | 62.4 | Low | 147 Ų | 147 | 96 Ų | 96 | 69% | 0.687 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -69 | -43.3 | 176.1 | -165.3 | 177.6 | 176.2 | 0 | 0 | 112.7 | S240 Q245 Q246 | S240-E242 PolarHBondContact O-N 3.3Å; S240-E242 VanDerWaalsContact O-N 3.09Å; E242-Q245 PolarHBondContact O-N 3.47Å; E242-Q246 VanDerWaalsContact O-CB 3.29Å; E242-Q246 WeakPolarHBondContact O-CB 3.09Å; E242-Q246 PolarHBondContact O-N 3.4Å |
| 243 | Q | 54.4 | Low | 60.5 | Low | 85 Ų | 85 | 99.8 Ų | 99.8 | 40% | 0.397 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 172.7 | -91.3 | 179.9 | -34.6 | 0 | 0 | 112.6 | M239 S240 Q246 Q247 | M239-Q243 HydrophobicContact CB-CB 4.15Å; S240-Q243 PolarHBondContact O-N 2.96Å; S240-Q243 PolarHBondContact OG-N 3.31Å; S240-Q243 VanDerWaalsContact OG-N 3.16Å; Q243-Q246 PolarHBondContact O-N 3.29Å; Q243-Q247 WeakPolarHBondContact O-CB 3.4Å; Q243-Q247 PolarHBondContact O-N 3.24Å |
| 244 | Y | 58.5 | Low | 58.4 | Low | 131 Ų | 131 | 103 Ų | 103 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 177.3 | -172 | -105.9 | 0 | 0 | 0 | 111.4 | M239 S240 Q247 Q248 | M239-Y244 HydrophobicContact CE-CD2 4.11Å; S240-Y244 PolarHBondContact O-N 3.43Å; Y244-Q247 PolarHBondContact O-N 3.29Å; Y244-Q248 HydrophobicContact CE1-CG 4.47Å; Y244-Q248 VanDerWaalsContact CZ-NE2 3.34Å; Y244-Q248 WeakPolarHBondContact O-CG 3.48Å; Y244-Q248 PolarHBondContact O-N 3.27Å; Y244-Q248 PolarHBondContact OH-NE2 3.4Å |
| 245 | Q | 57.8 | Low | 56.1 | Low | 129 Ų | 129 | 102.2 Ų | 102.2 | 60% | 0.603 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.1 | -37.1 | 177.6 | -153.6 | 165.9 | 42.1 | 0 | 0 | 111.8 | K241 E242 Q249 | K241-Q245 WeakPolarHBondContact O-CB 3.47Å; K241-Q245 PolarHBondContact O-N 3.04Å; E242-Q245 PolarHBondContact O-N 3.47Å; Q245-Q249 PolarHBondContact O-N 3.25Å; Q245-Q249 VanDerWaalsContact O-N 3.14Å |
| 246 | Q | 55.6 | Low | 53.9 | Low | 107 Ų | 107 | 111 Ų | 111 | 50% | 0.5 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.7 | -40 | 174.1 | -165.1 | 169.7 | 99.4 | 0 | 0 | 111.8 | E242 Q243 Q249 W250 | E242-Q246 VanDerWaalsContact O-CB 3.29Å; E242-Q246 WeakPolarHBondContact O-CB 3.09Å; E242-Q246 PolarHBondContact O-N 3.4Å; Q243-Q246 PolarHBondContact O-N 3.29Å; Q246-Q249 WeakPolarHBondContact O-CA 3.02Å; Q246-Q249 VanDerWaalsContact O-CB 3.23Å; Q246-Q249 WeakPolarHBondContact O-CB 3.32Å; Q246-Q249 PolarHBondContact O-N 3.37Å; Q246-Q249 VanDerWaalsContact O-N 3.08Å; Q246-W250 PolarHBondContact O-N 3.33Å; Q246-W250 VanDerWaalsContact O-N 3.14Å |
| 247 | Q | 55.8 | Low | 51.7 | Low | 115 Ų | 115 | 110.2 Ų | 110.2 | 54% | 0.537 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.9 | -35.5 | 177.4 | -168.4 | 170.3 | 49.8 | 0 | 0 | 112.7 | Q243 Y244 Q249 W250 G251 | Q243-Q247 WeakPolarHBondContact O-CB 3.4Å; Q243-Q247 PolarHBondContact O-N 3.24Å; Y244-Q247 PolarHBondContact O-N 3.29Å; Q247-Q249 VanDerWaalsContact C-N 3.27Å; Q247-Q249 PolarHBondContact O-N 2.88Å; Q247-W250 PolarHBondContact O-N 3Å; Q247-G251 PolarHBondContact O-N 3.35Å |
| 248 | Q | 54.2 | Low | 49.7 | Very low | 113 Ų | 113 | 109.9 Ų | 109.9 | 53% | 0.528 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.7 | -31.8 | 169.2 | -70.5 | -149.4 | 38.1 | 0 | 0 | 112.3 | Y244 W250 G251 S252 | Y244-Q248 HydrophobicContact CE1-CG 4.47Å; Y244-Q248 VanDerWaalsContact CZ-NE2 3.34Å; Y244-Q248 WeakPolarHBondContact O-CG 3.48Å; Y244-Q248 PolarHBondContact O-N 3.27Å; Y244-Q248 PolarHBondContact OH-NE2 3.4Å; Q248-W250 VanDerWaalsContact C-N 3.28Å; Q248-W250 PolarHBondContact O-N 2.96Å; Q248-G251 PolarHBondContact O-N 3.11Å; Q248-S252 PolarHBondContact O-N 2.83Å |
| 249 | Q | 50 | Low | 48.4 | Very low | 143 Ų | 143 | 121.5 Ų | 121.5 | 67% | 0.668 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.1 | -27.1 | 174.2 | -129.1 | 165.5 | 62.4 | 0 | 0 | 113.1 | Q245 Q246 Q247 | Q245-Q249 PolarHBondContact O-N 3.25Å; Q245-Q249 VanDerWaalsContact O-N 3.14Å; Q246-Q249 WeakPolarHBondContact O-CA 3.02Å; Q246-Q249 VanDerWaalsContact O-CB 3.23Å; Q246-Q249 WeakPolarHBondContact O-CB 3.32Å; Q246-Q249 PolarHBondContact O-N 3.37Å; Q246-Q249 VanDerWaalsContact O-N 3.08Å; Q247-Q249 VanDerWaalsContact C-N 3.27Å; Q247-Q249 PolarHBondContact O-N 2.88Å |
| 250 | W | 43.3 | Very low | 47.2 | Very low | 167 Ų | 167 | 121.9 Ų | 121.9 | 63% | 0.633 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -87.1 | -26.6 | 172.1 | -67.1 | 102.9 | 0 | 0 | 0 | 113.4 | Q246 Q247 Q248 S252 R253 | Q246-W250 PolarHBondContact O-N 3.33Å; Q246-W250 VanDerWaalsContact O-N 3.14Å; Q247-W250 PolarHBondContact O-N 3Å; Q248-W250 VanDerWaalsContact C-N 3.28Å; Q248-W250 PolarHBondContact O-N 2.96Å; W250-S252 VanDerWaalsContact C-N 3.26Å; W250-S252 PolarHBondContact O-N 2.88Å; W250-R253 PolarHBondContact O-N 2.86Å |
| 251 | G | 40.6 | Very low | 46.2 | Very low | 65 Ų | 65 | 131 Ų | 131 | 67% | 0.67 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.2 | -23.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q247 Q248 | Q247-G251 PolarHBondContact O-N 3.35Å; Q248-G251 PolarHBondContact O-N 3.11Å |
| 252 | S | 43.4 | Very low | 45.3 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 77% | 0.769 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -2.8 | 173.7 | -70.3 | 0 | 0 | 0 | 0 | 114.7 | Q248 W250 | Q248-S252 PolarHBondContact O-N 2.83Å; W250-S252 VanDerWaalsContact C-N 3.26Å; W250-S252 PolarHBondContact O-N 2.88Å |
| 253 | R | 41.8 | Very low | 44.3 | Very low | 203 Ų | 203 | 131 Ų | 131 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -103 | 2.7 | 179.4 | -149.8 | 177 | -176.6 | 166.2 | 2.2 | 114.1 | W250 | W250-R253 PolarHBondContact O-N 2.86Š|
| 254 | G | 39.1 | Very low | 43.2 | Very low | 66 Ų | 66 | 130.5 Ų | 130.5 | 68% | 0.68 | 71% | 0.705 | S | S | * | * | trans | -95.1 | 1.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | F256 | G254-F256 PolarHBondContact O-N 3.39Š| ||
| 255 | G | 36.8 | Very low | 42.1 | Very low | 66 Ų | 66 | 128.5 Ų | 128.5 | 68% | 0.68 | 72% | 0.724 | S | S | * | * | trans | -77.9 | 74.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | A257 | G255-A257 PolarHBondContact O-N 2.79Š| ||
| 256 | F | 37.1 | Very low | 41 | Very low | 204 Ų | 204 | 125.3 Ų | 125.3 | 90% | 0.895 | 73% | 0.726 | S | S | * | * | trans | -66.2 | 73.3 | 160.6 | -141.8 | -95.6 | 0 | 0 | 0 | 106.9 | G254 G258 | G254-F256 PolarHBondContact O-N 3.39Å; F256-G258 PolarHBondContact O-N 2.75Å | ||
| 257 | A | 37.3 | Very low | 40.4 | Very low | 90 Ų | 90 | 126.8 Ų | 126.8 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | trans | -61.4 | 88.5 | 154 | 0 | 0 | 0 | 0 | 0 | 104.5 | G255 R259 | G255-A257 PolarHBondContact O-N 2.79Å; A257-R259 PolarHBondContact O-N 2.73Å | ||
| 258 | G | 37.9 | Very low | 39.4 | Very low | 53 Ų | 53 | 127 Ų | 127 | 55% | 0.546 | 76% | 0.758 | S | S | . | * | trans | -52.3 | 94.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | F256 A260 | F256-G258 PolarHBondContact O-N 2.75Å; G258-A260 PolarHBondContact O-N 2.89Å | ||
| 259 | R | 39.6 | Very low | 38.6 | Very low | 249 Ų | 249 | 129.2 Ų | 129.2 | 94% | 0.94 | 77% | 0.769 | S | S | * | * | trans | -71 | 64.8 | 145.5 | -76.1 | -167.5 | -178 | -154.4 | 2.2 | 106.6 | A257 R261 | A257-R259 PolarHBondContact O-N 2.73Å; R259-R261 PolarHBondContact O-N 2.97Å | ||
| 260 | A | 36.3 | Very low | 37.7 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | trans | -62.9 | 97.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 105.4 | G258 G262 | G258-A260 PolarHBondContact O-N 2.89Å; A260-G262 PolarHBondContact O-N 3.43Å | ||
| 261 | R | 36.7 | Very low | 37 | Very low | 243 Ų | 243 | 130.7 Ų | 130.7 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | trans | -12 | 113 | 147.5 | -161.5 | -178.7 | -168.6 | 105.5 | -0.8 | 111.1 | R259 R263 | R259-R261 PolarHBondContact O-N 2.97Å; R261-R263 PolarHBondContact O-N 3.23Å | ||
| 262 | G | 38.6 | Very low | 36.6 | Very low | 75 Ų | 75 | 134 Ų | 134 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -52.7 | 133.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A260 | A260-G262 PolarHBondContact O-N 3.43Š| ||
| 263 | R | 35.4 | Very low | 36.1 | Very low | 249 Ų | 249 | 135.9 Ų | 135.9 | 94% | 0.94 | 78% | 0.779 | S | S | * | * | trans | -165.8 | 125.1 | 156 | -157.1 | 177.9 | -172 | -133.5 | 2.4 | 108.8 | R261 | R261-R263 PolarHBondContact O-N 3.23Š| ||
| 264 | G | 32.3 | Very low | 35.6 | Very low | 76 Ų | 76 | 128.7 Ų | 128.7 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | trans | 106.2 | 98.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 265 | G | 35.2 | Very low | 35.1 | Very low | 88 Ų | 88 | 136.7 Ų | 136.7 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | trans | -69.7 | 156.4 | 163 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 266 | G | 33.7 | Very low | 34.8 | Very low | 62 Ų | 62 | 138.1 Ų | 138.1 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | trans | 177.6 | 119 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | S268 | G266-S268 PolarHBondContact O-N 3.39Å; G266-S268 VanDerWaalsContact O-N 3.11Å | ||
| 267 | P | 42.9 | Very low | 34.5 | Very low | 138 Ų | 138 | 135 Ų | 135 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | trans | -77.7 | 98.8 | -175.9 | 29 | -29.8 | 0 | 0 | 0 | 109.9 | ||||
| 268 | S | 35 | Very low | 34.1 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -88.9 | 116.5 | 175.6 | 176.5 | 0 | 0 | 0 | 0 | 110.3 | G266 | G266-S268 PolarHBondContact O-N 3.39Å; G266-S268 VanDerWaalsContact O-N 3.11Å | ||
| 269 | Q | 36.8 | Very low | 33.6 | Very low | 160 Ų | 160 | 145.6 Ų | 145.6 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -58.8 | 139.9 | 179.6 | -66.7 | 172 | -2.7 | 0 | 0 | 112.6 | W271 | Q269-W271 PolarHBondContact O-N 3.11Š| ||
| 270 | N | 32 | Very low | 33.1 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | -69.2 | 107.6 | 172.8 | -176.7 | 43.4 | 0 | 0 | 0 | 110.4 | ||||
| 271 | W | 28.7 | Very low | 32.8 | Very low | 193 Ų | 193 | 142.4 Ų | 142.4 | 73% | 0.731 | 76% | 0.761 | S | S | * | * | trans | -120 | 94 | 161.2 | -89 | 89.2 | 0 | 0 | 0 | 109.2 | Q269 | Q269-W271 PolarHBondContact O-N 3.11Š| ||
| 272 | N | 31.8 | Very low | 32.4 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | trans | -96.8 | 102.1 | 163.2 | -168.4 | -58.6 | 0 | 0 | 0 | 107.5 | ||||
| 273 | Q | 34.1 | Very low | 32.1 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -113.5 | 124.8 | 151.5 | -112.7 | 99.2 | 67.8 | 0 | 0 | 104.5 | ||||
| 274 | G | 29.3 | Very low | 31.8 | Very low | 52 Ų | 52 | 133.1 Ų | 133.1 | 54% | 0.536 | 75% | 0.745 | S | S | . | * | cis | 111.8 | 96 | 26.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 275 | Y | 29.3 | Very low | 31.6 | Very low | 234 Ų | 234 | 137.3 Ų | 137.3 | 92% | 0.918 | 75% | 0.75 | S | S | * | * | trans | 176.6 | 88.7 | 156.8 | -102.2 | -75.8 | 0 | 0 | 0 | 105.8 | ||||
| 276 | S | 31.5 | Very low | 31.3 | Very low | 96 Ų | 96 | 144.3 Ų | 144.3 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | 40.9 | 128.2 | 80.7 | -99.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 277 | N | 29.3 | Very low | 31.1 | Very low | 138 Ų | 138 | 145 Ų | 145 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | cis | -160.1 | 172.7 | 16.4 | -83.7 | -27.7 | 0 | 0 | 0 | 105.9 | ||||
| 278 | Y | 29 | Very low | 30.5 | Very low | 167 Ų | 167 | 149 Ų | 149 | 66% | 0.655 | 76% | 0.756 | S | S | * | * | cis | 178.2 | 158.7 | 49.5 | -166.4 | -130.6 | 0 | 0 | 0 | 110.7 | ||||
| 279 | W | 27.4 | Very low | 30.2 | Very low | 198 Ų | 198 | 149 Ų | 149 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | trans | 83.8 | 126.3 | 178 | -55.9 | 106.8 | 0 | 0 | 0 | 115.9 | ||||
| 280 | N | 30.5 | Very low | 29.9 | Very low | 97 Ų | 97 | 146 Ų | 146 | 52% | 0.519 | 74% | 0.744 | S | S | . | * | cis | -172.8 | 115.2 | -5.9 | -169.1 | -107.1 | 0 | 0 | 0 | 103.2 | ||||
| 281 | Q | 29.5 | Very low | 29.9 | Very low | 173 Ų | 173 | 147.2 Ų | 147.2 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | 85.9 | 123.7 | 98.4 | -152.6 | 154.3 | 64.8 | 0 | 0 | 113.1 | |||||
| 282 | G | 28.9 | Very low | 29.9 | Very low | 59 Ų | 59 | 141.2 Ų | 141.2 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | trans | 161.4 | 85.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 283 | Y | 32.4 | Very low | 29.8 | Very low | 240 Ų | 240 | 146 Ų | 146 | 94% | 0.941 | 75% | 0.753 | S | S | * | * | trans | 59.4 | 113.4 | 151.4 | -65.4 | -93 | 0 | 0 | 0 | 117.5 | ||||
| 284 | G | 28.5 | Very low | 29.7 | Very low | 73 Ų | 73 | 142.7 Ų | 142.7 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | cis | 97.8 | 90.1 | 36.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 285 | N | 27.9 | Very low | 29.7 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | trans | -155.4 | 114.1 | 150.1 | -154.1 | -87.8 | 0 | 0 | 0 | 111.4 | ||||
| 286 | Y | 29.2 | Very low | 29.8 | Very low | 234 Ų | 234 | 144.1 Ų | 144.1 | 92% | 0.918 | 77% | 0.77 | S | S | * | * | trans | -77 | 141.6 | 170.8 | -103.1 | -105.5 | 0 | 0 | 0 | 109.9 | ||||
| 287 | G | 29.3 | Very low | 29.8 | Very low | 78 Ų | 78 | 143.5 Ų | 143.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -170.4 | 116.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 288 | Y | 29.9 | Very low | 29.8 | Very low | 220 Ų | 220 | 140 Ų | 140 | 86% | 0.863 | 78% | 0.776 | S | S | * | * | trans | -74.4 | 144.6 | -168.7 | -133.7 | -120.6 | 0 | 0 | 0 | 115.2 | ||||
| 289 | N | 29.2 | Very low | 29.8 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 65% | 0.647 | 79% | 0.788 | S | S | * | * | 39.9 | 122.6 | 129.5 | -154.6 | -44.8 | 0 | 0 | 0 | 120.3 | |||||
| 290 | S | 31.1 | Very low | 29.9 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | 151.6 | 134.3 | 110.3 | -160.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 291 | Q | 31.1 | Very low | 29.8 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | 23.4 | 135.4 | 148.3 | -104.3 | 65.5 | 4.1 | 0 | 0 | 121.4 | ||||
| 292 | G | 29.1 | Very low | 29.8 | Very low | 67 Ų | 67 | 142 Ų | 142 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | 147.7 | 109.1 | 131.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 293 | Y | 30.3 | Very low | 29.9 | Very low | 235 Ų | 235 | 143 Ų | 143 | 92% | 0.922 | 80% | 0.802 | S | S | * | * | trans | 48.7 | 111.5 | 139.7 | -87.4 | -97.6 | 0 | 0 | 0 | 121.1 | ||||
| 294 | G | 30.6 | Very low | 29.7 | Very low | 80 Ų | 80 | 141.4 Ų | 141.4 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | 73.4 | 135.4 | 114.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 295 | G | 29.5 | Very low | 29.8 | Very low | 71 Ų | 71 | 144.8 Ų | 144.8 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | 133.5 | 101 | 147.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 296 | Y | 31.2 | Very low | 29.8 | Very low | 245 Ų | 245 | 144.4 Ų | 144.4 | 96% | 0.961 | 80% | 0.795 | S | S | * | * | trans | 38 | 132.4 | 139.8 | -77.1 | -93.1 | 0 | 0 | 0 | 121.2 | ||||
| 297 | G | 31.1 | Very low | 29.8 | Very low | 84 Ų | 84 | 143 Ų | 143 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -75.7 | -177.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 298 | G | 30.7 | Very low | 29.8 | Very low | 65 Ų | 65 | 149.5 Ų | 149.5 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | trans | 137.3 | 121.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 299 | Y | 29.3 | Very low | 29.8 | Very low | 231 Ų | 231 | 142.7 Ų | 142.7 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | 81.5 | 95.3 | 150.5 | -62.2 | -83.2 | 0 | 0 | 0 | 120.2 | ||||
| 300 | D | 29.7 | Very low | 29.8 | Very low | 146 Ų | 146 | 148.4 Ų | 148.4 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | 16.4 | 116.7 | 111.2 | -134.2 | -46.6 | 0 | 0 | 0 | 117.6 | |||||
| 301 | Y | 27.3 | Very low | 29.7 | Very low | 201 Ų | 201 | 147 Ų | 147 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | -173.3 | 126.4 | 122.1 | -140.6 | -124.7 | 0 | 0 | 0 | 113.5 | |||||
| 302 | T | 30.3 | Very low | 29.6 | Very low | 98 Ų | 98 | 146.6 Ų | 146.6 | 60% | 0.601 | 81% | 0.806 | S | S | * | * | trans | 64.7 | 131.8 | 142.7 | 54.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 303 | G | 30.8 | Very low | 29.5 | Very low | 79 Ų | 79 | 153.9 Ų | 153.9 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | -167.9 | 83.6 | 155.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 304 | Y | 28.8 | Very low | 29.5 | Very low | 207 Ų | 207 | 147.8 Ų | 147.8 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -58.4 | 140.5 | 172.6 | -105 | -105.8 | 0 | 0 | 0 | 113.6 | ||||
| 305 | N | 28.7 | Very low | 29.5 | Very low | 145 Ų | 145 | 150.1 Ų | 150.1 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | 162.2 | 127.7 | 114.6 | -98 | -56.8 | 0 | 0 | 0 | 114.2 | |||||
| 306 | N | 28 | Very low | 29.7 | Very low | 155 Ų | 155 | 154.3 Ų | 154.3 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -179.8 | 145.8 | 144.9 | -108.7 | -28.5 | 0 | 0 | 0 | 105.3 | ||||
| 307 | Y | 30 | Very low | 29.7 | Very low | 205 Ų | 205 | 150.4 Ų | 150.4 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | cis | -172.2 | 154.7 | -4.7 | 175.6 | -107.1 | 0 | 0 | 0 | 103.8 | ||||
| 308 | Y | 28.9 | Very low | 29.8 | Very low | 215 Ų | 215 | 151.4 Ų | 151.4 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -48.7 | 151.2 | 173.2 | -83.8 | -103.2 | 0 | 0 | 0 | 114.7 | ||||
| 309 | G | 29.7 | Very low | 29.9 | Very low | 76 Ų | 76 | 151.5 Ų | 151.5 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | 160.4 | 100.7 | 152 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 310 | Y | 30.1 | Very low | 30.1 | Very low | 241 Ų | 241 | 152 Ų | 152 | 95% | 0.945 | 79% | 0.787 | S | S | * | * | trans | -14.8 | 135.5 | 152.6 | -96.9 | -113.5 | 0 | 0 | 0 | 114.7 | ||||
| 311 | G | 29.8 | Very low | 30.4 | Very low | 66 Ų | 66 | 148.7 Ų | 148.7 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | cis | 120.4 | 115.6 | 35.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 312 | D | 27.4 | Very low | 30.8 | Very low | 166 Ų | 166 | 149 Ų | 149 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -163.6 | 147.6 | 156.5 | -138 | -60.2 | 0 | 0 | 0 | 111.6 | ||||
| 313 | Y | 28.2 | Very low | 31.1 | Very low | 220 Ų | 220 | 151.4 Ų | 151.4 | 86% | 0.863 | 81% | 0.807 | S | S | * | * | trans | -88.3 | 158.8 | -169.2 | -112.8 | -107 | 0 | 0 | 0 | 111.7 | ||||
| 314 | S | 29.9 | Very low | 31.6 | Very low | 107 Ų | 107 | 152.3 Ų | 152.3 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | 108.2 | 114.6 | 148.8 | 84.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 315 | N | 29.6 | Very low | 32 | Very low | 130 Ų | 130 | 153.9 Ų | 153.9 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | 88.9 | 120.9 | 127.4 | -120.1 | -52.6 | 0 | 0 | 0 | 121.9 | |||||
| 316 | Q | 34 | Very low | 32.3 | Very low | 159 Ų | 159 | 158.9 Ų | 158.9 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | trans | 83.5 | 110.7 | 141.4 | -96.7 | 163.6 | 59.3 | 0 | 0 | 121.7 | ||||
| 317 | Q | 32.1 | Very low | 32.5 | Very low | 162 Ų | 162 | 154.6 Ų | 154.6 | 76% | 0.757 | 81% | 0.807 | S | S | * | * | 76.9 | 115.1 | 117.6 | -140 | 77.6 | 13 | 0 | 0 | 121 | |||||
| 318 | S | 33.4 | Very low | 33 | Very low | 105 Ų | 105 | 148.5 Ų | 148.5 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | 57.9 | 115.2 | 138.3 | -70.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 319 | G | 32.8 | Very low | 33.4 | Very low | 68 Ų | 68 | 147.3 Ų | 147.3 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | 98 | 136.1 | 98.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 320 | Y | 33 | Very low | 33.9 | Very low | 240 Ų | 240 | 152.8 Ų | 152.8 | 94% | 0.941 | 81% | 0.812 | S | S | * | * | trans | 92.8 | 98.7 | 158.6 | -71.3 | -88.7 | 0 | 0 | 0 | 120.4 | ||||
| 321 | G | 34.7 | Very low | 34.3 | Very low | 77 Ų | 77 | 149.2 Ų | 149.2 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | 95.9 | 92.7 | 97.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 322 | K | 36.4 | Very low | 34.6 | Very low | 209 Ų | 209 | 150.9 Ų | 150.9 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -80.8 | 130 | 156.4 | -73.7 | -172.2 | 178.3 | 179.5 | 0 | 110.3 | ||||
| 323 | V | 37.2 | Very low | 35 | Very low | 148 Ų | 148 | 154.2 Ų | 154.2 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -148.6 | 142.3 | 142.7 | -167.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 324 | S | 41.8 | Very low | 35.9 | Very low | 98 Ų | 98 | 151.6 Ų | 151.6 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | trans | -76.1 | 151.3 | 177.8 | 166.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 325 | R | 36.9 | Very low | 37.2 | Very low | 240 Ų | 240 | 152.2 Ų | 152.2 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | -177.2 | 117.8 | 128.5 | -100.9 | 176.8 | -146.6 | -153.8 | 8.1 | 114.6 | |||||
| 326 | R | 35.1 | Very low | 38 | Very low | 249 Ų | 249 | 160.4 Ų | 160.4 | 94% | 0.94 | 83% | 0.831 | S | S | * | * | trans | -8.3 | 125.8 | 135.3 | -167.4 | 169.8 | -168.8 | 146 | -0.1 | 116.4 | ||||
| 327 | G | 32.3 | Very low | 38.2 | Very low | 66 Ų | 66 | 160.5 Ų | 160.5 | 68% | 0.68 | 84% | 0.835 | S | S | * | * | trans | -171 | 115.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 328 | G | 39.5 | Very low | 38.5 | Very low | 76 Ų | 76 | 160.4 Ų | 160.4 | 78% | 0.784 | 84% | 0.839 | S | S | * | * | trans | -75.5 | 153.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 329 | H | 38.2 | Very low | 38.8 | Very low | 190 Ų | 190 | 163.5 Ų | 163.5 | 88% | 0.88 | 85% | 0.845 | S | S | * | * | trans | -123.1 | 113.5 | 172.8 | -75.8 | 4.1 | 0 | 0 | 0 | 110 | ||||
| 330 | Q | 40.1 | Very low | 39.2 | Very low | 191 Ų | 191 | 169.1 Ų | 169.1 | 89% | 0.893 | 85% | 0.854 | S | S | * | * | trans | -78.6 | 131 | 165.6 | -79.4 | -88.9 | -54 | 0 | 0 | 108.6 | ||||
| 331 | N | 37.6 | Very low | 39.5 | Very low | 166 Ų | 166 | 164.7 Ų | 164.7 | 89% | 0.888 | 85% | 0.848 | S | S | * | * | trans | -67.9 | 134.4 | 170.7 | -96.3 | -10.9 | 0 | 0 | 0 | 110.4 | ||||
| 332 | S | 37 | Very low | 39.9 | Very low | 101 Ų | 101 | 170.5 Ų | 170.5 | 71% | 0.706 | 85% | 0.852 | S | S | * | * | trans | -140.1 | 110.8 | 163.3 | -148.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 333 | Y | 35.7 | Very low | 40.1 | Very low | 237 Ų | 237 | 167.8 Ų | 167.8 | 93% | 0.929 | 85% | 0.848 | S | S | * | * | trans | -142.5 | 131.4 | 149.1 | -155.5 | -97.2 | 0 | 0 | 0 | 109.2 | ||||
| 334 | K | 45.7 | Very low | 40.3 | Very low | 165 Ų | 165 | 169.3 Ų | 169.3 | 72% | 0.717 | 84% | 0.844 | S | S | * | * | trans | -99 | 161.4 | -166.9 | -71.6 | 154.9 | 170.8 | 173.6 | 0 | 111 | ||||
| 335 | P | 59 | Low | 40.2 | Very low | 120 Ų | 120 | 175.3 Ų | 175.3 | 78% | 0.779 | 86% | 0.857 | S | S | * | * | trans | -97.7 | 122.5 | 160.5 | 33.9 | -24.6 | 0 | 0 | 0 | 111.1 | ||||
| 336 | Y | 45.5 | Very low | 40.5 | Very low | 302 Ų | 302 | 169.4 Ų | 169.4 | 100% | 1.184 | 85% | 0.853 | S | S | * | * | 174.9 | 0 | 114.1 | -130.6 | -90.4 | 0 | 0 | 0 | 108.5 |
Retrieved 336 of 336 residues in 300.4 ms
(Link to these results)