| 1 | M | 46.8 | Very low | 44.1 | Very low | 235 Ų | 235 | 144 Ų | 144 | 100% | 1.158 | 82% | 0.817 | S | S | * | * | | | | 0 | 95 | 0 | -70.9 | 166.2 | 173.2 | 0 | 0 | 105.5 | | |
| 2 | L | 41.4 | Very low | 43.6 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | | | | 46 | 119.4 | 50.2 | -71.9 | 172 | 0 | 0 | 0 | 109 | | |
| 3 | M | 40.5 | Very low | 43.9 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | cis | -163.1 | 138.9 | 29.2 | -93.1 | 142.3 | 159.6 | 0 | 0 | 108.6 | | |
| 4 | S | 44.6 | Very low | 43.5 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | | 51 | 120.3 | 109.4 | -67.1 | 0 | 0 | 0 | 0 | 118 | | |
| 5 | T | 56.3 | Low | 43.1 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 93% | 0.933 | 79% | 0.794 | S | S | * | * | | | | -138.6 | 118.7 | 125 | 49.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 6 | D | 44.6 | Very low | 43.2 | Very low | 140 Ų | 140 | 144.6 Ų | 144.6 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | | | trans | -98.7 | 141.3 | 173.4 | -168.5 | -76.8 | 0 | 0 | 0 | 108 | | |
| 7 | V | 47 | Very low | 42.7 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | | | trans | -150.7 | 120.7 | 144.9 | 117.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 8 | A | 41.3 | Very low | 42.8 | Very low | 74 Ų | 74 | 142.2 Ų | 142.2 | 61% | 0.612 | 80% | 0.801 | S | S | * | * | | | trans | -77.1 | 162.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 9 | S | 40.9 | Very low | 43.1 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | 154.2 | 135.2 | 139 | -77.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 10 | I | 47 | Very low | 43.3 | Very low | 148 Ų | 148 | 144 Ų | 144 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | | | cis | -166.5 | 115.2 | 5.7 | -86.5 | 149.7 | 0 | 0 | 0 | 102.3 | | |
| 11 | M | 34.3 | Very low | 43.2 | Very low | 161 Ų | 161 | 147 Ų | 147 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | | | | 51.7 | 95.9 | 85.2 | -135.8 | -175.8 | -175.2 | 0 | 0 | 117.7 | | |
| 12 | L | 38.2 | Very low | 42.9 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | trans | 65 | 175.4 | 139.1 | -68.9 | 169.5 | 0 | 0 | 0 | 119.3 | | |
| 13 | P | 48.1 | Very low | 42.9 | Very low | 99 Ų | 99 | 146.3 Ų | 146.3 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | | | | -138 | -160.3 | -54.2 | 39.7 | -21.7 | 0 | 0 | 0 | 112.3 | | |
| 14 | V | 37.6 | Very low | 42.9 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | | | trans | 75.8 | 144 | 147.9 | 158.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 15 | S | 38.7 | Very low | 42.6 | Very low | 105 Ų | 105 | 147.9 Ų | 147.9 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | cis | -168.9 | 163.5 | -4.1 | -94.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 16 | R | 43.4 | Very low | 41.7 | Very low | 251 Ų | 251 | 147.3 Ų | 147.3 | 95% | 0.947 | 78% | 0.779 | S | S | * | * | | | trans | -79.9 | 124.1 | 167.8 | -176.5 | 176.1 | -174.6 | 170.8 | 0.7 | 110.4 | | |
| 17 | A | 35.1 | Very low | 41.2 | Very low | 88 Ų | 88 | 146.5 Ų | 146.5 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -172.9 | 114.5 | 156.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 18 | L | 45.1 | Very low | 40.7 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | | 54.7 | 114.3 | 97.9 | -89.1 | 170.4 | 0 | 0 | 0 | 114 | | |
| 19 | I | 47.7 | Very low | 40.5 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | | | trans | -162.9 | 120.3 | 132.8 | -94.6 | 139 | 0 | 0 | 0 | 109.3 | | |
| 20 | D | 47.3 | Very low | 40 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | | | trans | -90.4 | 128.1 | 162.7 | -165.4 | -67.9 | 0 | 0 | 0 | 106.5 | | |
| 21 | R | 41.2 | Very low | 39.4 | Very low | 207 Ų | 207 | 147 Ų | 147 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | | | trans | 142.7 | 113.3 | 161.4 | -89.3 | -169.1 | 163.3 | 114.9 | -1.3 | 110.2 | | |
| 22 | D | 40.7 | Very low | 39.4 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | | | | -170.4 | 147.6 | 102.1 | -89.9 | -40.7 | 0 | 0 | 0 | 111.3 | | |
| 23 | R | 41.9 | Very low | 39.3 | Very low | 202 Ų | 202 | 145.3 Ų | 145.3 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | trans | -111.3 | 139.3 | -166.2 | 171.3 | -178.2 | -178.7 | 174.4 | 1.9 | 108.3 | | |
| 24 | E | 39.6 | Very low | 38.6 | Very low | 141 Ų | 141 | 147.9 Ų | 147.9 | 66% | 0.659 | 80% | 0.802 | S | S | * | * | | | trans | 68.7 | 123.3 | 158.3 | -74.4 | 164.1 | -167.5 | 0 | 0 | 118.7 | | |
| 25 | L | 39.3 | Very low | 39.2 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | | 178 | 154.9 | 110.8 | -91 | 159.4 | 0 | 0 | 0 | 112.8 | | |
| 26 | D | 36.8 | Very low | 38.9 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | | | trans | 96.3 | 75.7 | 165.7 | -61 | -52.7 | 0 | 0 | 0 | 121.2 | | |
| 27 | T | 35 | Very low | 38.3 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | | 4.4 | 127.5 | 122.9 | 35.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 28 | M | 35.9 | Very low | 38.3 | Very low | 191 Ų | 191 | 139.5 Ų | 139.5 | 94% | 0.941 | 80% | 0.798 | S | S | * | * | | | | 175.4 | 157.6 | 106.2 | -111.9 | -175.8 | 168.6 | 0 | 0 | 115.2 | | |
| 29 | A | 36.1 | Very low | 38.8 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | 86.5 | 92.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 30 | G | 32.1 | Very low | 38.1 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | | | | 97.7 | 135.8 | 65.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 31 | V | 34.6 | Very low | 37.5 | Very low | 124 Ų | 124 | 131 Ų | 131 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | cis | -165.8 | 137.3 | 17.2 | 177.4 | 0 | 0 | 0 | 0 | 105.7 | | |
| 32 | H | 34.3 | Very low | 37.4 | Very low | 176 Ų | 176 | 127.5 Ų | 127.5 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | | | trans | 156.4 | 109.4 | 131.6 | -96.2 | -87.4 | 0 | 0 | 0 | 114.4 | | |
| 33 | A | 34.3 | Very low | 37.2 | Very low | 93 Ų | 93 | 130 Ų | 130 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | 48.1 | 105.2 | 139.5 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 34 | N | 34.7 | Very low | 36.8 | Very low | 153 Ų | 153 | 123.5 Ų | 123.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -60.4 | 176.2 | 145 | -127.8 | -6.8 | 0 | 0 | 0 | 110.6 | | |
| 35 | P | 49.4 | Very low | 36.6 | Very low | 106 Ų | 106 | 124 Ų | 124 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | | | cis | -139.6 | 164.4 | 21.7 | 34.7 | -11.2 | 0 | 0 | 0 | 114.8 | | |
| 36 | S | 33 | Very low | 36.6 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | | 166.7 | 144.1 | 90.1 | 46.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 37 | G | 30.1 | Very low | 36.7 | Very low | 81 Ų | 81 | 129.7 Ų | 129.7 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | 108.7 | 66.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 38 | A | 35 | Very low | 36.6 | Very low | 93 Ų | 93 | 127.4 Ų | 127.4 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | -89.5 | -179.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 39 | P | 55.4 | Low | 36.7 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | cis | -132.1 | -179 | -35.8 | 25.9 | -4 | 0 | 0 | 0 | 111.3 | | |
| 40 | G | 33.2 | Very low | 37.6 | Very low | 73 Ų | 73 | 126.6 Ų | 126.6 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | trans | 144 | 91.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 41 | A | 36.2 | Very low | 38.1 | Very low | 95 Ų | 95 | 129.1 Ų | 129.1 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | | 45.4 | 131.5 | 115.3 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 42 | V | 37.7 | Very low | 39.1 | Very low | 134 Ų | 134 | 129.1 Ų | 129.1 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | trans | 84.6 | 124.1 | 142.4 | -136.3 | 0 | 0 | 0 | 0 | 122.3 | | |
| 43 | R | 36 | Very low | 39.3 | Very low | 220 Ų | 220 | 127.4 Ų | 127.4 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | | | | 106.4 | 129.1 | 126.9 | -139.3 | 163.9 | -179.8 | 171.5 | -1.4 | 120 | M45 | R43-M45 HydrophobicContact CG-SD 4.08Š|
| 44 | G | 33.8 | Very low | 39.5 | Very low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | | | trans | 141.2 | 82.5 | 155.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 45 | M | 36.8 | Very low | 39.6 | Very low | 152 Ų | 152 | 127.4 Ų | 127.4 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | | | | 63.7 | 117.9 | 92.7 | -85.1 | 84.4 | -179 | 0 | 0 | 118 | R43 | R43-M45 HydrophobicContact CG-SD 4.08Š|
| 46 | K | 39.4 | Very low | 38.9 | Very low | 187 Ų | 187 | 128.2 Ų | 128.2 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | 82.1 | 132.8 | 140.4 | -133.3 | 140.6 | -178.2 | -178.5 | 0 | 116.1 | | |
| 47 | R | 38.1 | Very low | 39.1 | Very low | 231 Ų | 231 | 127.3 Ų | 127.3 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | | | cis | -176.9 | 143 | 33.7 | -148.7 | 176.8 | -24.7 | -176.1 | 10.3 | 109.8 | | |
| 48 | G | 33.6 | Very low | 39.3 | Very low | 73 Ų | 73 | 127.7 Ų | 127.7 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | trans | 150 | 80.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 49 | D | 37.9 | Very low | 39.3 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | trans | -75.9 | 167.7 | 161.8 | -60.4 | -69.1 | 0 | 0 | 0 | 111.7 | | |
| 50 | P | 53.7 | Low | 38.4 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | | -138.2 | 132.1 | 81.9 | 32.3 | -14.4 | 0 | 0 | 0 | 116.2 | | |
| 51 | E | 44.1 | Very low | 38.7 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 59% | 0.593 | 78% | 0.775 | S | S | * | * | | | trans | 0.3 | 147.1 | 136.8 | -82.9 | -91.8 | 127.8 | 0 | 0 | 120.1 | D53 | E51-D53 PolarHBondContact OE2-N 3.31Š|
| 52 | P | 53.7 | Low | 38.5 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | | | | -133.6 | 135.2 | 84.6 | 35 | -21.9 | 0 | 0 | 0 | 116.6 | | |
| 53 | D | 39.7 | Very low | 38.4 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | trans | -20.6 | 139.3 | 148.7 | -68.6 | -60.4 | 0 | 0 | 0 | 113.7 | E51 | E51-D53 PolarHBondContact OE2-N 3.31Š|
| 54 | G | 37.8 | Very low | 38.2 | Very low | 62 Ų | 62 | 129.2 Ų | 129.2 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | | | cis | 141.9 | 156.7 | 16.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 55 | Q | 38.1 | Very low | 38.1 | Very low | 184 Ų | 184 | 129.5 Ų | 129.5 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | trans | 88.8 | 125.1 | 164.1 | -50.8 | 178.4 | 14.3 | 0 | 0 | 116.8 | | |
| 56 | T | 34.7 | Very low | 38.1 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | cis | -169.9 | 142 | -0.1 | 14.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 57 | A | 35.4 | Very low | 38.1 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | | | trans | 55.6 | 142 | 137.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 58 | A | 35.1 | Very low | 37.9 | Very low | 89 Ų | 89 | 122.8 Ų | 122.8 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | cis | -177.4 | 163.3 | -2.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 59 | A | 33.9 | Very low | 38.2 | Very low | 93 Ų | 93 | 128.8 Ų | 128.8 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | 68.9 | 150.3 | 152 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 60 | L | 37.4 | Very low | 38.3 | Very low | 152 Ų | 152 | 133 Ų | 133 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | | | cis | 175.2 | 146.5 | -26.3 | -116.8 | 160.1 | 0 | 0 | 0 | 102.5 | | |
| 61 | M | 39.1 | Very low | 38 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | | | trans | 76.4 | 115.4 | 154.8 | -89.8 | 157.4 | 152 | 0 | 0 | 121.3 | | |
| 62 | D | 31.8 | Very low | 37.7 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | | | | 104.9 | 119.1 | 120.6 | -140.6 | -114 | 0 | 0 | 0 | 120.1 | | |
| 63 | S | 36.1 | Very low | 37 | Very low | 78 Ų | 78 | 138 Ų | 138 | 55% | 0.545 | 79% | 0.793 | S | S | . | * | | | trans | 69.5 | 122.3 | 139.7 | -67.7 | 0 | 0 | 0 | 0 | 123.6 | | |
| 64 | T | 31.6 | Very low | 37 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | | | trans | 77.6 | 138.2 | 137.3 | 60.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 65 | G | 32 | Very low | 36.7 | Very low | 72 Ų | 72 | 138.3 Ų | 138.3 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | | | trans | 115.8 | 95.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 66 | A | 36.5 | Very low | 36.9 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | | 77.6 | 130.7 | 86.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 67 | E | 38.8 | Very low | 36.7 | Very low | 187 Ų | 187 | 133.6 Ų | 133.6 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | trans | -36.2 | 146.8 | 178.5 | -62.9 | 164.8 | 72.6 | 0 | 0 | 115.7 | | |
| 68 | C | 35.8 | Very low | 36.7 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | | | trans | -154.4 | 121.4 | 144.5 | -99.2 | 0 | 0 | 0 | 0 | 114 | | |
| 69 | K | 38.5 | Very low | 36.6 | Very low | 200 Ų | 200 | 136.7 Ų | 136.7 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | | | trans | -62.5 | 155.5 | 161.6 | -104.7 | 154.6 | 171.9 | 162.2 | 0 | 111.3 | | |
| 70 | R | 41.3 | Very low | 36.5 | Very low | 241 Ų | 241 | 136.1 Ų | 136.1 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | trans | -36.7 | 140.8 | 170.6 | -56.8 | 176 | -179.3 | -171.2 | -1.9 | 114.3 | | |
| 71 | P | 47.1 | Very low | 36.3 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | | | trans | -92.1 | 123.6 | 161.6 | 32.4 | -25.4 | 0 | 0 | 0 | 111.3 | | |
| 72 | R | 37.4 | Very low | 36.2 | Very low | 211 Ų | 211 | 137.6 Ų | 137.6 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | | | trans | -89.6 | 131.3 | 146.7 | 177.5 | -173 | 176.3 | 98.1 | 3.6 | 105.3 | D74 | R72-D74 IonicContact CZ-OD2 3.85Å; R72-D74 IonicContact NE-OD2 3.17Å; R72-D74 PolarHBondContact NE-OD2 3.09Å; R72-D74 IonicContact NH2-OD2 3.61Å |
| 73 | I | 39.9 | Very low | 36.3 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | | | trans | -119.3 | 114.9 | 171.4 | -84.1 | 164.4 | 0 | 0 | 0 | 108.1 | | |
| 74 | D | 38 | Very low | 36.2 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 69% | 0.69 | 83% | 0.827 | S | S | * | * | | | trans | -93 | 143.1 | 156.9 | -78.8 | -65.6 | 0 | 0 | 0 | 107 | R72 | R72-D74 IonicContact CZ-OD2 3.85Å; R72-D74 IonicContact NE-OD2 3.17Å; R72-D74 PolarHBondContact NE-OD2 3.09Å; R72-D74 IonicContact NH2-OD2 3.61Å |
| 75 | G | 33.3 | Very low | 36.2 | Very low | 81 Ų | 81 | 139.5 Ų | 139.5 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | | | trans | -162.6 | 105.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 76 | S | 40.7 | Very low | 36.4 | Very low | 121 Ų | 121 | 144 Ų | 144 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | | | trans | -105.5 | 146.7 | -176 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 77 | G | 31.9 | Very low | 36.5 | Very low | 86 Ų | 86 | 146.1 Ų | 146.1 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | | | trans | 85.6 | 131 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 78 | G | 33.7 | Very low | 37 | Very low | 68 Ų | 68 | 142.2 Ų | 142.2 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | | | cis | 134.6 | 156.1 | 26.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 79 | I | 34.9 | Very low | 37 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 94% | 0.944 | 81% | 0.813 | S | S | * | * | | | trans | 76.6 | 104.1 | 168.1 | 33.2 | -179.9 | 0 | 0 | 0 | 122.4 | | |
| 80 | G | 31.7 | Very low | 36.9 | Very low | 80 Ų | 80 | 138.6 Ų | 138.6 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | 71.6 | 145.2 | 132 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 81 | E | 32.6 | Very low | 36.8 | Very low | 186 Ų | 186 | 135.7 Ų | 135.7 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | | | cis | -174.2 | -178 | -5.2 | -155.7 | -170.2 | 118.4 | 0 | 0 | 105.9 | | |
| 82 | I | 37.4 | Very low | 35.9 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | | | trans | 92.2 | 92.7 | -177.6 | -45.1 | 156.6 | 0 | 0 | 0 | 111.8 | | |
| 83 | G | 32.8 | Very low | 35.6 | Very low | 64 Ų | 64 | 133.6 Ų | 133.6 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | | | | 107.7 | 110.5 | 56.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 84 | Q | 34.9 | Very low | 35.5 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | | | | -168.7 | 132.4 | 78.7 | -77.1 | 164 | 5.1 | 0 | 0 | 107.9 | | |
| 85 | N | 30.8 | Very low | 35.1 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | | -171 | 127.8 | 123.7 | -88.6 | -45.8 | 0 | 0 | 0 | 108.5 | | |
| 86 | N | 35.7 | Very low | 35.4 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | -64.3 | 131.4 | -170.2 | -70.2 | -74.9 | 0 | 0 | 0 | 113.3 | | |
| 87 | D | 38.5 | Very low | 35.8 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -63.5 | 167.9 | 152.6 | -84.4 | -47.8 | 0 | 0 | 0 | 110.7 | | |
| 88 | P | 50.9 | Low | 35.8 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | | | cis | -161.8 | 173 | 44.5 | 49.9 | -27.9 | 0 | 0 | 0 | 121.5 | | |
| 89 | L | 35.5 | Very low | 35.9 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | trans | 82.5 | 97 | 149.8 | -54.8 | -166.3 | 0 | 0 | 0 | 121.6 | | |
| 90 | T | 36.1 | Very low | 35.9 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | | | | 53.1 | 126.9 | 119.3 | 60.9 | 0 | 0 | 0 | 0 | 123.2 | | |
| 91 | L | 38.2 | Very low | 36 | Very low | 180 Ų | 180 | 143 Ų | 143 | 94% | 0.942 | 78% | 0.783 | S | S | * | * | | | trans | 60.6 | 119.5 | 139.8 | -111.5 | 82.9 | 0 | 0 | 0 | 120 | | |
| 92 | G | 29.1 | Very low | 35.9 | Very low | 69 Ų | 69 | 138.1 Ų | 138.1 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | trans | 144.3 | 118.9 | 149 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 93 | Y | 30.7 | Very low | 35.9 | Very low | 213 Ų | 213 | 135.2 Ų | 135.2 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | | | | 49.2 | 121.6 | 123 | -102.9 | -105.8 | 0 | 0 | 0 | 121 | | |
| 94 | H | 38.7 | Very low | 36.1 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | trans | 76 | 137.8 | 145.4 | -81.5 | -34.4 | 0 | 0 | 0 | 124.1 | | |
| 95 | G | 29.8 | Very low | 36.1 | Very low | 65 Ų | 65 | 139.1 Ų | 139.1 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | | | trans | 137.4 | 88.3 | 146.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 96 | Y | 38.7 | Very low | 36.5 | Very low | 192 Ų | 192 | 137.3 Ų | 137.3 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | | 66.8 | 155.2 | 84.4 | -77.2 | -72.6 | 0 | 0 | 0 | 115.6 | | |
| 97 | P | 49.8 | Very low | 36.5 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | cis | -140.8 | 153.8 | 28.6 | 29.7 | -3.7 | 0 | 0 | 0 | 117.4 | | |
| 98 | S | 31.3 | Very low | 36.3 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | | | | 70.7 | 112.6 | 84.8 | -60.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 99 | H | 36.2 | Very low | 35.6 | Very low | 182 Ų | 182 | 129.5 Ų | 129.5 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | | -164.5 | 107 | 129.4 | -108.8 | 58.9 | 0 | 0 | 0 | 109.1 | | |
| 100 | S | 34.3 | Very low | 35.7 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | | | | 69.8 | 130.3 | 102.2 | 72 | 0 | 0 | 0 | 0 | 113.5 | | |
| 101 | Q | 34.9 | Very low | 35.6 | Very low | 199 Ų | 199 | 134.9 Ų | 134.9 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | | | cis | -179.4 | 150.6 | 6.3 | -159.7 | -178.9 | 21 | 0 | 0 | 105.3 | | |
| 102 | G | 29.6 | Very low | 36 | Very low | 82 Ų | 82 | 129.7 Ų | 129.7 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | 141.5 | 112 | 161 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 103 | S | 37.5 | Very low | 36.8 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | | | trans | -119.4 | 155 | -167.5 | -158.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 104 | Q | 38 | Very low | 37.9 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | 72.6 | 136.8 | 162.1 | -63.5 | 176.4 | -2 | 0 | 0 | 115 | | |
| 105 | D | 33.5 | Very low | 38.7 | Very low | 156 Ų | 156 | 128 Ų | 128 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | cis | -148.7 | 164.7 | 45.5 | -28 | -75.2 | 0 | 0 | 0 | 113.7 | | |
| 106 | S | 40.7 | Very low | 40.1 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -90.3 | 145.5 | 178.4 | -60.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 107 | A | 34.3 | Very low | 40.8 | Very low | 103 Ų | 103 | 127 Ų | 127 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | | | trans | -172.9 | 132.3 | 136.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 108 | G | 35.4 | Very low | 40.7 | Very low | 86 Ų | 86 | 131.2 Ų | 131.2 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | | | trans | -87.4 | 168.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 109 | G | 34.5 | Very low | 41.4 | Very low | 68 Ų | 68 | 132.2 Ų | 132.2 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | trans | 130 | 91.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 110 | Q | 37.8 | Very low | 42.2 | Very low | 189 Ų | 189 | 128 Ų | 128 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | 64 | 159.8 | 143.7 | -52.8 | -147.9 | -12.8 | 0 | 0 | 120.3 | | |
| 111 | E | 35.7 | Very low | 43.4 | Very low | 186 Ų | 186 | 132.8 Ų | 132.8 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | | | trans | 81.9 | 105.6 | 161.3 | 86.3 | -161.6 | 118.8 | 0 | 0 | 120.8 | | |
| 112 | G | 45.9 | Very low | 45.1 | Very low | 70 Ų | 70 | 128.5 Ų | 128.5 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | | | trans | 85.7 | 118.5 | 147.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 113 | L | 45.4 | Very low | 47.1 | Very low | 169 Ų | 169 | 130.1 Ų | 130.1 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | | | trans | 165.8 | 104.7 | 131.7 | -84 | 156.4 | 0 | 0 | 0 | 110.4 | | |
| 114 | V | 54.5 | Low | 48.7 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 74% | 0.739 | 80% | 0.802 | S | S | * | * | | | trans | 45.7 | 118.7 | 140.6 | -161.4 | 0 | 0 | 0 | 0 | 119 | | |
| 115 | P | 56 | Low | 50.5 | Low | 109 Ų | 109 | 128.1 Ų | 128.1 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 146.1 | 169.2 | 29.2 | -33.4 | 0 | 0 | 0 | 111.1 | | |
| 116 | P | 57.5 | Low | 52.4 | Low | 115 Ų | 115 | 126.1 Ų | 126.1 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 142.6 | 179.8 | 26.9 | -33.8 | 0 | 0 | 0 | 110.4 | F118 | P116-F118 PolarHBondContact O-N 2.87Š|
| 117 | P | 53.3 | Low | 53.9 | Low | 121 Ų | 121 | 125.9 Ų | 125.9 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 129.9 | -179.1 | 26.4 | -32.8 | 0 | 0 | 0 | 109.7 | S119 | P117-S119 PolarHBondContact O-N 3.18Å; P117-S119 VanDerWaalsContact O-N 3.09Å |
| 118 | F | 48.3 | Very low | 55.5 | Low | 209 Ų | 209 | 126.3 Ų | 126.3 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 116.5 | 167.2 | -86.5 | -98.1 | 0 | 0 | 0 | 109 | P116 A120 | P116-F118 PolarHBondContact O-N 2.87Å; F118-A120 VanDerWaalsContact C-N 3.32Å; F118-A120 PolarHBondContact O-N 3.2Å |
| 119 | S | 47 | Very low | 56.8 | Low | 115 Ų | 115 | 128 Ų | 128 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -60.9 | 99.1 | 165.4 | -59.9 | 0 | 0 | 0 | 0 | 108 | P117 F121 | P117-S119 PolarHBondContact O-N 3.18Å; P117-S119 VanDerWaalsContact O-N 3.09Å; S119-F121 PolarHBondContact O-N 3.3Å |
| 120 | A | 51.8 | Low | 57.9 | Low | 93 Ų | 93 | 133.8 Ų | 133.8 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 118.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | F118 | F118-A120 VanDerWaalsContact C-N 3.32Å; F118-A120 PolarHBondContact O-N 3.2Å |
| 121 | F | 59.3 | Low | 58.3 | Low | 197 Ų | 197 | 132.8 Ų | 132.8 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 133.5 | 167.5 | -87.2 | -95.8 | 0 | 0 | 0 | 108.8 | S119 | S119-F121 PolarHBondContact O-N 3.3Š|
| 122 | P | 70.9 | Confident | 59.1 | Low | 109 Ų | 109 | 127.2 Ų | 127.2 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64 | 141.1 | 175 | 26.4 | -32.5 | 0 | 0 | 0 | 109.8 | | |
| 123 | P | 71.8 | Confident | 58.9 | Low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 151.1 | 176.4 | 26.8 | -33.7 | 0 | 0 | 0 | 110.9 | | |
| 124 | P | 72.2 | Confident | 58.8 | Low | 116 Ų | 116 | 130.6 Ų | 130.6 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 149.1 | -179.9 | 26.7 | -34.3 | 0 | 0 | 0 | 111.6 | | |
| 125 | P | 75.1 | Confident | 58.2 | Low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 148.9 | -180 | 27.1 | -34 | 0 | 0 | 0 | 111.9 | | |
| 126 | P | 73.3 | Confident | 58 | Low | 115 Ų | 115 | 135 Ų | 135 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66 | 152.2 | 177.5 | 27.7 | -34 | 0 | 0 | 0 | 111.9 | | |
| 127 | P | 72.8 | Confident | 56.9 | Low | 117 Ų | 117 | 139.8 Ų | 139.8 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 150.7 | 179.3 | 27.6 | -34.4 | 0 | 0 | 0 | 111.9 | | |
| 128 | P | 67.4 | Low | 56.2 | Low | 112 Ų | 112 | 136.8 Ų | 136.8 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 147.3 | -179.7 | 27.3 | -34.1 | 0 | 0 | 0 | 111.8 | Q130 | P128-Q130 PolarHBondContact O-N 3.24Š|
| 129 | P | 62.1 | Low | 55.6 | Low | 121 Ų | 121 | 132.5 Ų | 132.5 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 120.8 | -179.9 | 26 | -32.5 | 0 | 0 | 0 | 110.5 | N131 | P129-N131 PolarHBondContact O-N 3.4Š|
| 130 | Q | 57.4 | Low | 54.9 | Low | 191 Ų | 191 | 132.4 Ų | 132.4 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 121 | 161.5 | -80.7 | -176.9 | -19.7 | 0 | 0 | 108.1 | P128 G132 | P128-Q130 PolarHBondContact O-N 3.24Å; Q130-G132 PolarHBondContact O-N 3.47Å |
| 131 | N | 46 | Very low | 54.2 | Low | 168 Ų | 168 | 135 Ų | 135 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -51.3 | 121.1 | 175.8 | -83 | -26.1 | 0 | 0 | 0 | 111.7 | P129 | P129-N131 PolarHBondContact O-N 3.4Š|
| 132 | G | 52.9 | Low | 53.2 | Low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | 86.6 | 57.4 | 135.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q130 | Q130-G132 PolarHBondContact O-N 3.47Š|
| 133 | L | 41 | Very low | 51.4 | Low | 171 Ų | 171 | 135.4 Ų | 135.4 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | | | trans | -141.5 | 118.8 | 146.6 | -72.1 | 179.6 | 0 | 0 | 0 | 109.4 | L135 | L133-L135 PolarHBondContact O-N 3.28Š|
| 134 | T | 43.9 | Very low | 49.4 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | | | trans | -71.5 | 113.5 | 172.9 | 84.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 135 | L | 43.2 | Very low | 47.5 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | | | trans | -128.9 | 94.6 | 163.6 | -144.3 | 74.8 | 0 | 0 | 0 | 107.8 | L133 Y137 | L133-L135 PolarHBondContact O-N 3.28Å; L135-Y137 PolarHBondContact O-N 3.2Å |
| 136 | D | 50.1 | Low | 45.4 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | | | trans | -56.9 | 107.1 | 162.8 | -170.4 | -92 | 0 | 0 | 0 | 108 | | |
| 137 | Y | 35.7 | Very low | 43.3 | Very low | 215 Ų | 215 | 132.6 Ų | 132.6 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | trans | -150.7 | 86.4 | 165.1 | -157.2 | -101 | 0 | 0 | 0 | 111.2 | L135 | L135-Y137 PolarHBondContact O-N 3.2Š|
| 138 | G | 38 | Very low | 41.5 | Very low | 58 Ų | 58 | 136.3 Ų | 136.3 | 60% | 0.598 | 81% | 0.812 | S | S | * | * | | | trans | 58.4 | 91.5 | 130.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 139 | S | 35.2 | Very low | 39.8 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | | | trans | -163.8 | 103.1 | 136.5 | -92.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 140 | S | 32.9 | Very low | 39 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | | | trans | -172 | 138.4 | 135.4 | -88.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 141 | L | 37 | Very low | 37.8 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | | | trans | 97.3 | 85.3 | 154.5 | -60 | 149 | 0 | 0 | 0 | 118.1 | A143 | L141-A143 HydrophobicContact CD2-CB 4.35Š|
| 142 | Y | 38.5 | Very low | 37.2 | Very low | 230 Ų | 230 | 131.7 Ų | 131.7 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | | | | -67 | 109.9 | 124.3 | 37.6 | -90 | 0 | 0 | 0 | 108.5 | | |
| 143 | A | 32.9 | Very low | 36.1 | Very low | 84 Ų | 84 | 135.7 Ų | 135.7 | 69% | 0.694 | 81% | 0.813 | S | S | * | * | | | trans | -169.5 | 114.1 | 151.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | L141 | L141-A143 HydrophobicContact CD2-CB 4.35Š|
| 144 | A | 31 | Very low | 35.7 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 93% | 0.934 | 81% | 0.809 | S | S | * | * | | | trans | -71.3 | 148.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 145 | G | 30.2 | Very low | 35 | Very low | 73 Ų | 73 | 128.4 Ų | 128.4 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | trans | 137 | 127.1 | 150.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 146 | A | 31.7 | Very low | 34.6 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | | | trans | 75.9 | 108.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 147 | V | 30.2 | Very low | 33.6 | Very low | 125 Ų | 125 | 122 Ų | 122 | 76% | 0.758 | 81% | 0.807 | S | S | * | * | | | | 94.3 | 129.2 | 70.7 | 161.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 148 | Q | 33.5 | Very low | 33.9 | Very low | 194 Ų | 194 | 119.9 Ų | 119.9 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | | | trans | 75.7 | 136 | 174.4 | -65.8 | 162.9 | 25.6 | 0 | 0 | 115.6 | | |
| 149 | G | 31.8 | Very low | 33.7 | Very low | 71 Ų | 71 | 122.9 Ų | 122.9 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | | | cis | 169.6 | 162.3 | 9.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 150 | P | 46.2 | Very low | 33.8 | Very low | 122 Ų | 122 | 122.4 Ų | 122.4 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | | | trans | -98.7 | -166.4 | -149 | 38.5 | -34.6 | 0 | 0 | 0 | 116 | | |
| 151 | V | 31.9 | Very low | 33.7 | Very low | 131 Ų | 131 | 121 Ų | 121 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | | | trans | 83.9 | 133 | 161.2 | -76.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 152 | E | 33 | Very low | 33.7 | Very low | 172 Ų | 172 | 121.9 Ų | 121.9 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | | | cis | -153.3 | 139.2 | 7.9 | -58.1 | -157.8 | 114.2 | 0 | 0 | 109.3 | | |
| 153 | V | 31.1 | Very low | 33.5 | Very low | 151 Ų | 151 | 115.6 Ų | 115.6 | 92% | 0.915 | 83% | 0.83 | S | S | * | * | | | | 46.9 | 123.5 | 93.4 | -174.2 | 0 | 0 | 0 | 0 | 118 | | |
| 154 | G | 31 | Very low | 33.4 | Very low | 79 Ų | 79 | 114.8 Ų | 114.8 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | | | trans | 121.7 | 128.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 155 | G | 29.9 | Very low | 33.8 | Very low | 79 Ų | 79 | 117.5 Ų | 117.5 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | | | cis | 149.5 | 137.4 | 18.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 156 | A | 34.1 | Very low | 34 | Very low | 112 Ų | 112 | 119.6 Ų | 119.6 | 93% | 0.926 | 83% | 0.828 | S | S | * | * | | | trans | -65.8 | 162.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 157 | G | 30.7 | Very low | 34.1 | Very low | 76 Ų | 76 | 122.8 Ų | 122.8 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | | | trans | 171 | 105.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 158 | N | 42 | Very low | 34.2 | Very low | 172 Ų | 172 | 120.7 Ų | 120.7 | 92% | 0.92 | 84% | 0.835 | S | S | * | * | | | trans | -66.8 | 145.3 | 167 | -75.3 | -41.7 | 0 | 0 | 0 | 111.9 | | |
| 159 | S | 33.1 | Very low | 34.4 | Very low | 121 Ų | 121 | 119.8 Ų | 119.8 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | | | trans | -167 | 128.7 | 142.9 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 160 | A | 36.4 | Very low | 34.7 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | | | trans | -67.4 | 148.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 161 | G | 32.4 | Very low | 34.1 | Very low | 83 Ų | 83 | 123.9 Ų | 123.9 | 86% | 0.856 | 84% | 0.838 | S | S | * | * | | | trans | -152 | 127.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 162 | N | 37.3 | Very low | 34.1 | Very low | 166 Ų | 166 | 121.4 Ų | 121.4 | 89% | 0.888 | 84% | 0.839 | S | S | * | * | | | trans | -85.6 | 157.4 | -170.3 | -179.7 | 25.3 | 0 | 0 | 0 | 113.5 | | |
| 163 | A | 33.4 | Very low | 34.3 | Very low | 98 Ų | 98 | 119 Ų | 119 | 81% | 0.81 | 84% | 0.841 | S | S | * | * | | | trans | 139.2 | 132.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 164 | G | 31.7 | Very low | 34.6 | Very low | 68 Ų | 68 | 118 Ų | 118 | 70% | 0.701 | 84% | 0.841 | S | S | * | * | | | cis | 151.4 | 128.4 | 8.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 165 | N | 38.6 | Very low | 34.8 | Very low | 170 Ų | 170 | 122.6 Ų | 122.6 | 91% | 0.909 | 84% | 0.841 | S | S | * | * | | | trans | -168.5 | 147.5 | 142.3 | -118 | 2.8 | 0 | 0 | 0 | 113 | | |
| 166 | T | 34.2 | Very low | 35.2 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 72% | 0.718 | 84% | 0.836 | S | S | * | * | | | trans | -103 | 147.5 | -157.8 | 44.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 167 | L | 34.3 | Very low | 35.2 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | | | trans | 36.9 | 133.3 | 139.8 | -81.8 | 79.7 | 0 | 0 | 0 | 122.7 | | |
| 168 | G | 32.8 | Very low | 35.3 | Very low | 82 Ų | 82 | 126.5 Ų | 126.5 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | | | trans | -166.3 | 92.2 | 148.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 169 | Q | 37.3 | Very low | 34.9 | Very low | 174 Ų | 174 | 127.6 Ų | 127.6 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | | | trans | -86.1 | 150.8 | 170.4 | -82.2 | 168.7 | 4.6 | 0 | 0 | 110.9 | | |
| 170 | S | 36.5 | Very low | 35.2 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | | | trans | -167 | 124.6 | 131.1 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 171 | D | 34.9 | Very low | 35.2 | Very low | 159 Ų | 159 | 128.2 Ų | 128.2 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | | | trans | -69.8 | 167.2 | 170.9 | -73.6 | -57.7 | 0 | 0 | 0 | 114.6 | | |
| 172 | G | 31.2 | Very low | 35.5 | Very low | 79 Ų | 79 | 131 Ų | 131 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | | | trans | 177.5 | 88.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 173 | S | 38.2 | Very low | 35.5 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | | | trans | -80.7 | 152.7 | 175.5 | -48.8 | 0 | 0 | 0 | 0 | 114 | | |
| 174 | S | 36.7 | Very low | 36 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | | | trans | -157.9 | 146.6 | 146.4 | 47.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 175 | Q | 35.9 | Very low | 36 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | | | trans | -123 | 166.1 | -160.3 | -162.9 | -171 | -11.7 | 0 | 0 | 110.3 | | |
| 176 | I | 37.4 | Very low | 36 | Very low | 135 Ų | 135 | 125.2 Ų | 125.2 | 69% | 0.692 | 82% | 0.822 | S | S | * | * | | | trans | 77.9 | 142 | 160.7 | 76.3 | 148 | 0 | 0 | 0 | 118 | | |
| 177 | D | 34 | Very low | 36.1 | Very low | 150 Ų | 150 | 123.7 Ų | 123.7 | 80% | 0.802 | 83% | 0.83 | S | S | * | * | | | cis | -166.7 | 162 | 17.7 | -123.7 | -48.5 | 0 | 0 | 0 | 109.1 | | |
| 178 | G | 32.4 | Very low | 36.2 | Very low | 64 Ų | 64 | 119.9 Ų | 119.9 | 66% | 0.66 | 83% | 0.829 | S | S | * | * | | | trans | 125.6 | 83.3 | 151.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 179 | Q | 34.8 | Very low | 36.6 | Very low | 194 Ų | 194 | 120.4 Ų | 120.4 | 91% | 0.907 | 84% | 0.835 | S | S | * | * | | | | 70.7 | 128.6 | 124 | -147.5 | 152.7 | -1.1 | 0 | 0 | 123.3 | | |
| 180 | S | 39 | Very low | 36.6 | Very low | 102 Ų | 102 | 115.5 Ų | 115.5 | 71% | 0.713 | 83% | 0.831 | S | S | * | * | | | trans | -62 | 141.2 | 174.4 | 55.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 181 | V | 36.8 | Very low | 37.1 | Very low | 142 Ų | 142 | 114 Ų | 114 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | | | trans | -149.8 | 132 | 139.7 | -162.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 182 | V | 37.8 | Very low | 37.2 | Very low | 143 Ų | 143 | 109.6 Ų | 109.6 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | | | trans | -66.5 | 143 | 169.7 | -74.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 183 | G | 37.5 | Very low | 38.8 | Very low | 78 Ų | 78 | 112.4 Ų | 112.4 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | | | trans | -168.5 | 85.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 184 | S | 43.2 | Very low | 39.6 | Very low | 138 Ų | 138 | 110 Ų | 110 | 97% | 0.965 | 83% | 0.825 | S | S | * | * | | | trans | -62.3 | 129.6 | 166.6 | -61.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 185 | G | 33 | Very low | 39.9 | Very low | 75 Ų | 75 | 109.8 Ų | 109.8 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | trans | -170.7 | 111.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 186 | G | 37.9 | Very low | 40.8 | Very low | 89 Ų | 89 | 109.6 Ų | 109.6 | 92% | 0.918 | 82% | 0.818 | S | S | * | * | | | trans | -78.5 | 177 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 187 | G | 36.4 | Very low | 41.6 | Very low | 85 Ų | 85 | 107.3 Ų | 107.3 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | | | trans | 144 | 124.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 188 | G | 37 | Very low | 42.4 | Very low | 80 Ų | 80 | 106.9 Ų | 106.9 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | 112.3 | 80.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | G190 | G188-G190 PolarHBondContact O-N 2.9Š|
| 189 | G | 40.8 | Very low | 43.5 | Very low | 94 Ų | 94 | 108.8 Ų | 108.8 | 97% | 0.969 | 82% | 0.821 | S | S | * | * | | | trans | -72.1 | 77.3 | 160 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 190 | G | 37.9 | Very low | 44.7 | Very low | 70 Ų | 70 | 108 Ų | 108 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | | | trans | -87.1 | 110.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110 | G188 G192 | G188-G190 PolarHBondContact O-N 2.9Å; G190-G192 PolarHBondContact O-N 3.44Å; G190-G192 VanDerWaalsContact O-N 3.08Å |
| 191 | G | 47.1 | Very low | 46.2 | Very low | 90 Ų | 90 | 105.1 Ų | 105.1 | 93% | 0.928 | 80% | 0.801 | S | S | * | * | | | trans | -73.3 | 90.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 192 | G | 36.1 | Very low | 48.6 | Very low | 66 Ų | 66 | 102.5 Ų | 102.5 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | | | trans | -89.6 | 145.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G190 | G190-G192 PolarHBondContact O-N 3.44Å; G190-G192 VanDerWaalsContact O-N 3.08Å |
| 193 | P | 64.4 | Low | 51.2 | Low | 138 Ų | 138 | 99.7 Ų | 99.7 | 90% | 0.896 | 77% | 0.77 | S | S | * | * | | | trans | -84.8 | 136.8 | -176.9 | 34.3 | -30.7 | 0 | 0 | 0 | 110.9 | | |
| 194 | G | 55.1 | Low | 53.9 | Low | 70 Ų | 70 | 97.6 Ų | 97.6 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | | | trans | 128.8 | 105.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 195 | D | 42.9 | Very low | 56.4 | Low | 127 Ų | 127 | 92.8 Ų | 92.8 | 68% | 0.679 | 70% | 0.7 | S | S | * | * | | | | -162.5 | 105.7 | 126.9 | -139.5 | -76.3 | 0 | 0 | 0 | 109.8 | S197 | D195-S197 PolarHBondContact O-N 3.27Å; D195-S197 VanDerWaalsContact O-N 3.11Å; D195-S197 WeakPolarHBondContact OD1-CB 3.38Å; D195-S197 PolarHBondContact OD1-OG 3.43Å |
| 196 | D | 55.6 | Low | 59.5 | Low | 172 Ų | 172 | 89.2 Ų | 89.2 | 92% | 0.92 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 35.5 | 177.5 | -91.6 | -80.1 | 0 | 0 | 0 | 112.6 | | |
| 197 | S | 53.7 | Low | 62.3 | Low | 87 Ų | 87 | 87 Ų | 87 | 61% | 0.608 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | -1.5 | -170 | -48.1 | 0 | 0 | 0 | 0 | 116.4 | D195 A199 | D195-S197 PolarHBondContact O-N 3.27Å; D195-S197 VanDerWaalsContact O-N 3.11Å; D195-S197 WeakPolarHBondContact OD1-CB 3.38Å; D195-S197 PolarHBondContact OD1-OG 3.43Å; S197-A199 PolarHBondContact O-N 3.24Å |
| 198 | D | 51 | Low | 65.2 | Low | 140 Ų | 140 | 82.9 Ų | 82.9 | 75% | 0.749 | 59% | 0.587 | S | S | * | * | | | trans | -103.3 | 59.3 | 174.2 | -77 | -62.9 | 0 | 0 | 0 | 112.1 | K200 | D198-K200 PolarHBondContact O-N 3.16Š|
| 199 | A | 56.1 | Low | 68.1 | Low | 104 Ų | 104 | 80 Ų | 80 | 86% | 0.86 | 55% | 0.553 | S | S | * | * | | | trans | -66.1 | 23 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S197 G201 | S197-A199 PolarHBondContact O-N 3.24Å; A199-G201 PolarHBondContact O-N 3.36Å |
| 200 | K | 58.3 | Low | 70.7 | Confident | 178 Ų | 178 | 78.2 Ų | 78.2 | 77% | 0.774 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -86.5 | 75.8 | 164.6 | -171.2 | 129.2 | 156.7 | -78.7 | 0 | 106.7 | D198 T202 | D198-K200 PolarHBondContact O-N 3.16Å; K200-T202 PolarHBondContact O-N 3.1Å |
| 201 | G | 70.9 | Confident | 73.5 | Confident | 42 Ų | 42 | 74.9 Ų | 74.9 | 43% | 0.433 | 49% | 0.488 | S | S | . | . | | | trans | -34.3 | 97 | -173 | 0 | 0 | 0 | 0 | 0 | 112.8 | A199 E251 | A199-G201 PolarHBondContact O-N 3.36Å; G201-E251 CarbonylContact C-O 3.54Å |
| 202 | T | 87.2 | Confident | 75.8 | Confident | 87 Ų | 87 | 70.9 Ų | 70.9 | 53% | 0.534 | 45% | 0.445 | S | S | . | . | | | trans | -80.3 | 124.6 | 173.4 | 47.5 | 0 | 0 | 0 | 0 | 106.7 | K200 K204 E251 S253 | K200-T202 PolarHBondContact O-N 3.1Å; T202-K204 PolarHBondContact O-N 3.42Å; T202-E251 CarbonylContact C-O 3.53Å; T202-S253 PolarHBondContact O-N 3.42Å; T202-S253 VanDerWaalsContact O-N 3.1Å |
| 203 | P | 92.1 | Very high | 78.7 | Confident | 84 Ų | 84 | 72.8 Ų | 72.8 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | | | trans | -64.5 | 127.7 | -179.4 | 25.9 | -33.5 | 0 | 0 | 0 | 109 | L231 T249 F250 E251 | P203-L231 HydrophobicContact CB-CD1 3.71Å; P203-T249 HydrophobicContact CB-CG2 4.34Å; P203-F250 CarbonylContact C-O 3.58Å; P203-F250 WeakPolarHBondContact CA-O 3.43Å; P203-F250 WeakPolarHBondContact CB-O 3.3Å; P203-E251 WeakPolarHBondContact CA-O 3.35Å |
| 204 | K | 95.4 | Very high | 80.2 | Confident | 33 Ų | 33 | 75.7 Ų | 75.7 | 14% | 0.143 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 131.1 | -176.9 | -173.5 | 166.2 | -177 | 176.1 | 0 | 110.2 | T202 F250 A256 E257 | T202-K204 PolarHBondContact O-N 3.42Å; K204-F250 PolarHBondContact N-O 3.36Å; K204-F250 VanDerWaalsContact N-O 3.12Å; K204-F250 PolarHBondContact O-N 3.39Å; K204-A256 HydrophobicContact CB-CB 3.79Å; K204-A256 HydrophobicContact CD-CB 3.89Å; K204-A256 HydrophobicContact CG-CB 3.88Å; K204-E257 VanDerWaalsContact NZ-CD 3.35Å; K204-E257 IonicContact NZ-OE1 3.49Å; K204-E257 PolarHBondContact NZ-OE1 3.14Å |
| 205 | R | 95.6 | Very high | 82.1 | Confident | 37 Ų | 37 | 73.3 Ų | 73.3 | 14% | 0.14 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.1 | 179.9 | -165.1 | 178.4 | -159.7 | -133.8 | 1.8 | 110.5 | E234 F247 V248 A278 | R205-E234 IonicContact CZ-OE2 3.78Å; R205-E234 IonicContact NH2-OE2 2.63Å; R205-E234 PolarHBondContact NH2-OE2 3.28Å; R205-F247 HydrophobicContact CG-CB 4.33Å; R205-V248 CarbonylContact C-O 3.49Å; R205-V248 WeakPolarHBondContact CA-O 3.41Å; R205-A278 HydrophobicContact CB-CB 3.86Å; R205-A278 HydrophobicContact CG-CB 3.66Å; R205-A278 VanDerWaalsContact O-CB 3.3Å; R205-A278 WeakPolarHBondContact O-CB 3.41Å; R205-A278 PolarHBondContact O-N 2.81Å |
| 206 | L | 97.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 145.3 | 174.1 | -58.5 | -178.9 | 0 | 0 | 0 | 109.7 | F224 F247 V248 F250 A256 A259 R260 V275 N276 | L206-F224 HydrophobicContact CD1-CE1 4.33Å; L206-F247 CarbonylContact O-C 3.58Å; L206-F247 WeakPolarHBondContact O-CA 3.5Å; L206-V248 PolarHBondContact N-O 3.18Å; L206-V248 PolarHBondContact O-N 2.96Å; L206-F250 HydrophobicContact CD1-CD2 4.13Å; L206-F250 HydrophobicContact CD1-CE2 3.76Å; L206-F250 HydrophobicContact CG-CD2 4.46Å; L206-A256 HydrophobicContact CD1-CB 4.05Å; L206-A256 VanDerWaalsContact CD1-O 3.3Å; L206-A256 WeakPolarHBondContact CD1-O 3.43Å; L206-A256 HydrophobicContact CD2-CB 4.12Å; L206-A256 HydrophobicContact CG-CB 4.05Å; L206-A259 HydrophobicContact CD1-CB 4.38Å; L206-R260 HydrophobicContact CD1-CB 4.45Å; L206-V275 HydrophobicContact CB-CG1 4.11Å; L206-V275 HydrophobicContact CD1-CG1 3.84Å; L206-V275 HydrophobicContact CG-CG1 4.44Å; L206-N276 CarbonylContact C-O 3.58Å; L206-N276 WeakPolarHBondContact CA-O 3.17Å |
| 207 | H | 97.6 | Very high | 86.5 | Confident | 42 Ų | 42 | 66.9 Ų | 66.9 | 19% | 0.194 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129 | 167.8 | 168.7 | -102.3 | 0 | 0 | 0 | 108.4 | S209 F245 F247 V275 N276 A278 | H207-S209 PolarHBondContact CE1-OG 2.84Å; H207-F245 AromaticContact CD2-CD2 3.95Å; H207-F245 AromaticContact NE2-CD2 3.58Å; H207-F245 AromaticContact NE2-CG 3.95Å; H207-F247 HydrophobicContact CB-CD1 4.05Å; H207-F247 HydrophobicContact CB-CE1 3.93Å; H207-F247 AromaticContact CD2-CE1 3.64Å; H207-F247 AromaticContact CD2-CZ 3.99Å; H207-V275 CarbonylContact O-C 3.52Å; H207-V275 WeakPolarHBondContact O-CA 3.46Å; H207-N276 PolarHBondContact N-O 2.87Å; H207-N276 PolarHBondContact O-N 2.71Å; H207-A278 HydrophobicContact CB-CB 4.28Å |
| 208 | V | 97.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 110.3 | -178.8 | -169.2 | 0 | 0 | 0 | 0 | 108.1 | I211 F224 F245 G246 V248 E274 V275 | V208-I211 HydrophobicContact CG1-CG2 3.55Å; V208-F224 HydrophobicContact CB-CE2 4.5Å; V208-F224 HydrophobicContact CB-CZ 4.3Å; V208-F224 HydrophobicContact CG1-CE2 4.01Å; V208-F224 HydrophobicContact CG1-CZ 3.88Å; V208-F224 HydrophobicContact CG2-CE1 4.16Å; V208-F224 HydrophobicContact CG2-CE2 3.74Å; V208-F224 HydrophobicContact CG2-CZ 3.38Å; V208-F245 CarbonylContact O-C 3.59Å; V208-F245 WeakPolarHBondContact O-CA 3.5Å; V208-F245 VanDerWaalsContact O-CB 3.29Å; V208-F245 WeakPolarHBondContact O-CB 3.35Å; V208-G246 PolarHBondContact N-O 3.22Å; V208-G246 PolarHBondContact O-N 2.94Å; V208-V248 HydrophobicContact CG2-CG2 4.16Å; V208-E274 CarbonylContact C-O 3.58Å; V208-E274 VanDerWaalsContact CA-O 3.31Å; V208-E274 WeakPolarHBondContact CA-O 3.3Å; V208-V275 HydrophobicContact CG1-CG2 4.34Å; V208-V275 HydrophobicContact CG2-CG1 4.49Å |
| 209 | S | 97 | Very high | 90.7 | Very high | 18 Ų | 18 | 62.8 Ų | 62.8 | 13% | 0.126 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 161.5 | 179.1 | 32.5 | 0 | 0 | 0 | 0 | 113.3 | H207 I211 I273 E274 | H207-S209 PolarHBondContact CE1-OG 2.84Å; S209-I211 VanDerWaalsContact C-N 3.27Å; S209-I211 PolarHBondContact O-N 2.95Å; S209-I273 WeakPolarHBondContact O-CA 3.42Å; S209-E274 PolarHBondContact N-O 2.8Å; S209-E274 PolarHBondContact O-N 3.39Å; S209-E274 VanDerWaalsContact OG-CB 3.27Å; S209-E274 WeakPolarHBondContact OG-CB 3.43Å; S209-E274 PolarHBondContact OG-O 2.97Å; S209-E274 PolarHBondContact OG-OE2 2.79Å |
| 210 | N | 96.9 | Very high | 92.6 | Very high | 57 Ų | 57 | 57.8 Ų | 57.8 | 31% | 0.305 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 60.4 | 29.9 | 178.3 | -161.6 | 34.6 | 0 | 0 | 0 | 114.6 | G244 R271 K272 | N210-G244 WeakPolarHBondContact CA-O 3.29Å; N210-G244 PolarHBondContact N-O 3.44Å; N210-R271 PolarHBondContact OD1-NE 2.77Å; N210-R271 VanDerWaalsContact OD1-NE 3.17Å; N210-R271 PolarHBondContact OD1-NH2 3.43Å; N210-K272 WeakPolarHBondContact CB-O 3.44Å; N210-K272 PolarHBondContact ND2-O 3.29Å |
| 211 | I | 96.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | | | trans | -75.9 | 152.1 | 172.9 | 60.9 | 172.8 | 0 | 0 | 0 | 110.8 | V208 S209 F215 L220 G244 I273 | V208-I211 HydrophobicContact CG1-CG2 3.55Å; S209-I211 VanDerWaalsContact C-N 3.27Å; S209-I211 PolarHBondContact O-N 2.95Å; I211-F215 HydrophobicContact CB-CD1 4.29Å; I211-F215 HydrophobicContact CB-CG 4.47Å; I211-F215 HydrophobicContact CD1-CB 4.08Å; I211-L220 HydrophobicContact CD1-CD1 4.23Å; I211-L220 HydrophobicContact CD1-CD2 4.21Å; I211-L220 HydrophobicContact CG2-CD2 4.38Å; I211-G244 VanDerWaalsContact CG1-C 3.48Å; I211-G244 WeakPolarHBondContact CG1-O 3.29Å; I211-G244 PolarHBondContact N-O 3.04Å; I211-G244 WeakPolarHBondContact O-CA 3.14Å; I211-I273 HydrophobicContact CG2-CB 4.49Å; I211-I273 HydrophobicContact CG2-CG2 3.98Å |
| 212 | P | 95.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 62 Ų | 62 | 4% | 0.039 | 30% | 0.296 | C | S | . | . | | | trans | -57.8 | 144.8 | 176.6 | -23.6 | 33.7 | 0 | 0 | 0 | 112.6 | R214 F215 V268 E269 | P212-R214 PolarHBondContact O-N 3.41Å; P212-R214 VanDerWaalsContact O-N 3.07Å; P212-F215 HydrophobicContact CB-CD2 3.74Å; P212-F215 HydrophobicContact CB-CE2 4.13Å; P212-F215 HydrophobicContact CG-CD2 3.74Å; P212-F215 HydrophobicContact CG-CE2 3.68Å; P212-F215 HydrophobicContact CG-CZ 4.43Å; P212-F215 WeakPolarHBondContact O-CB 3.45Å; P212-F215 PolarHBondContact O-N 3.05Å; P212-V268 HydrophobicContact CG-CG1 4.34Å; P212-E269 HydrophobicContact CB-CB 4.49Å; P212-E269 WeakPolarHBondContact CB-OE2 3.4Å; P212-E269 HydrophobicContact CG-CB 3.79Å; P212-E269 HydrophobicContact CG-CG 3.98Å; P212-E269 WeakPolarHBondContact CG-OE2 3.08Å |
| 213 | F | 96 | Very high | 95.9 | Very high | 106 Ų | 106 | 59.3 Ų | 59.3 | 47% | 0.465 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18 | -175.6 | -61.8 | -57.5 | 0 | 0 | 0 | 113.7 | F215 R216 S242 | F213-F215 VanDerWaalsContact C-N 3.34Å; F213-R216 PolarHBondContact O-NH1 3.34Å; F213-S242 VanDerWaalsContact C-OG 3.23Å; F213-S242 WeakPolarHBondContact CA-OG 3.5Å; F213-S242 WeakPolarHBondContact CB-OG 3.37Å; F213-S242 VanDerWaalsContact CD1-O 3.23Å; F213-S242 WeakPolarHBondContact CD1-O 3.33Å; F213-S242 PolarHBondContact O-OG 2.75Å |
| 214 | R | 95.3 | Very high | 96.1 | Very high | 199 Ų | 199 | 55.3 Ų | 55.3 | 75% | 0.751 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -17.6 | 176.5 | -64.6 | -68.1 | 128.1 | 172.1 | 0.9 | 113 | P212 R216 | P212-R214 PolarHBondContact O-N 3.41Å; P212-R214 VanDerWaalsContact O-N 3.07Å; R214-R216 PolarHBondContact O-NH1 2.89Å |
| 215 | F | 95.6 | Very high | 96.1 | Very high | 20 Ų | 20 | 55.4 Ų | 55.4 | 9% | 0.088 | 26% | 0.262 | C | S | . | . | | | trans | -59.4 | 139.8 | -177.9 | -91.7 | -134.4 | 0 | 0 | 0 | 112 | I211 P212 F213 D219 L220 M223 I235 V268 E269 | I211-F215 HydrophobicContact CB-CD1 4.29Å; I211-F215 HydrophobicContact CB-CG 4.47Å; I211-F215 HydrophobicContact CD1-CB 4.08Å; P212-F215 HydrophobicContact CB-CD2 3.74Å; P212-F215 HydrophobicContact CB-CE2 4.13Å; P212-F215 HydrophobicContact CG-CD2 3.74Å; P212-F215 HydrophobicContact CG-CE2 3.68Å; P212-F215 HydrophobicContact CG-CZ 4.43Å; P212-F215 WeakPolarHBondContact O-CB 3.45Å; P212-F215 PolarHBondContact O-N 3.05Å; F213-F215 VanDerWaalsContact C-N 3.34Å; F215-D219 WeakPolarHBondContact CA-OD2 3.39Å; F215-D219 HydrophobicContact CD1-CB 3.8Å; F215-D219 HydrophobicContact CD2-CB 4.39Å; F215-D219 HydrophobicContact CE1-CB 3.95Å; F215-D219 HydrophobicContact CG-CB 4.02Å; F215-D219 HydrophobicContact CZ-CB 4.29Å; F215-L220 HydrophobicContact CD1-CD2 3.96Å; F215-L220 HydrophobicContact CD1-CG 4.34Å; F215-L220 HydrophobicContact CE1-CD2 4.47Å; F215-M223 HydrophobicContact CE1-SD 4.48Å; F215-I235 WeakPolarHBondContact O-CD1 3.47Å; F215-V268 HydrophobicContact CE1-CG1 4.07Å; F215-V268 HydrophobicContact CE2-CG1 3.96Å; F215-V268 HydrophobicContact CZ-CG1 3.33Å; F215-E269 HydrophobicContact CE2-CG 4.46Å |
| 216 | R | 96 | Very high | 96.1 | Very high | 92 Ų | 92 | 60.2 Ų | 60.2 | 35% | 0.347 | 29% | 0.286 | S | S | . | . | | | trans | -129 | 174.6 | 176.6 | -63.4 | -61.7 | 178.8 | -96.3 | 0.1 | 110.3 | F213 R214 P218 D219 L220 | F213-R216 PolarHBondContact O-NH1 3.34Å; R214-R216 PolarHBondContact O-NH1 2.89Å; R216-P218 VanDerWaalsContact C-CD 3.46Å; R216-P218 VanDerWaalsContact C-N 3.34Å; R216-P218 HydrophobicContact CB-CG 4.17Å; R216-D219 PolarHBondContact N-OD2 2.82Å; R216-D219 WeakPolarHBondContact O-CB 3.29Å; R216-D219 PolarHBondContact O-N 3.42Å; R216-L220 PolarHBondContact O-N 2.93Å |
| 217 | D | 95.6 | Very high | 96 | Very high | 71 Ų | 71 | 61.3 Ų | 61.3 | 38% | 0.38 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -44.8 | -48.4 | 175.3 | -59.9 | -111.1 | 0 | 0 | 0 | 114 | D219 R221 V233 | D217-D219 VanDerWaalsContact C-N 3.34Å; D217-D219 PolarHBondContact O-N 3.25Å; D217-R221 VanDerWaalsContact O-CB 3.29Å; D217-R221 WeakPolarHBondContact O-CB 3.48Å; D217-R221 PolarHBondContact O-N 3.4Å; D217-V233 HydrophobicContact CB-CG1 4.4Å |
| 218 | P | 96.8 | Very high | 95.9 | Very high | 85 Ų | 85 | 60.1 Ų | 60.1 | 55% | 0.552 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.7 | -36.3 | 177.7 | 24 | -35.9 | 0 | 0 | 0 | 113.6 | R216 R221 Q222 | R216-P218 VanDerWaalsContact C-CD 3.46Å; R216-P218 VanDerWaalsContact C-N 3.34Å; R216-P218 HydrophobicContact CB-CG 4.17Å; P218-R221 PolarHBondContact O-N 3.4Å; P218-Q222 WeakPolarHBondContact O-CB 3.01Å; P218-Q222 PolarHBondContact O-N 3.1Å |
| 219 | D | 95.8 | Very high | 95.8 | Very high | 56 Ų | 56 | 65.9 Ų | 65.9 | 30% | 0.299 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.9 | -45.1 | -177.7 | -52.9 | -50.8 | 0 | 0 | 0 | 110.9 | F215 R216 D217 R221 Q222 M223 | F215-D219 WeakPolarHBondContact CA-OD2 3.39Å; F215-D219 HydrophobicContact CD1-CB 3.8Å; F215-D219 HydrophobicContact CD2-CB 4.39Å; F215-D219 HydrophobicContact CE1-CB 3.95Å; F215-D219 HydrophobicContact CG-CB 4.02Å; F215-D219 HydrophobicContact CZ-CB 4.29Å; R216-D219 PolarHBondContact N-OD2 2.82Å; R216-D219 WeakPolarHBondContact O-CB 3.29Å; R216-D219 PolarHBondContact O-N 3.42Å; D217-D219 VanDerWaalsContact C-N 3.34Å; D217-D219 PolarHBondContact O-N 3.25Å; D219-R221 VanDerWaalsContact C-N 3.33Å; D219-Q222 PolarHBondContact O-N 3.48Å; D219-M223 WeakPolarHBondContact O-CB 3.14Å; D219-M223 PolarHBondContact O-N 3.37Å |
| 220 | L | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 173.9 | -70.6 | -179.6 | 0 | 0 | 0 | 110.9 | I211 F215 R216 Q222 M223 F224 V233 I235 V248 | I211-L220 HydrophobicContact CD1-CD1 4.23Å; I211-L220 HydrophobicContact CD1-CD2 4.21Å; I211-L220 HydrophobicContact CG2-CD2 4.38Å; F215-L220 HydrophobicContact CD1-CD2 3.96Å; F215-L220 HydrophobicContact CD1-CG 4.34Å; F215-L220 HydrophobicContact CE1-CD2 4.47Å; R216-L220 PolarHBondContact O-N 2.93Å; L220-Q222 VanDerWaalsContact C-N 3.32Å; L220-Q222 PolarHBondContact O-N 3.43Å; L220-M223 HydrophobicContact CD2-CE 4.28Å; L220-M223 PolarHBondContact O-N 2.94Å; L220-F224 HydrophobicContact CD2-CD2 4.29Å; L220-F224 HydrophobicContact CD2-CE2 3.99Å; L220-F224 WeakPolarHBondContact O-CB 3.47Å; L220-F224 WeakPolarHBondContact O-CD2 3.39Å; L220-F224 PolarHBondContact O-N 2.87Å; L220-V233 HydrophobicContact CB-CG1 3.91Å; L220-V233 HydrophobicContact CD1-CG1 3.72Å; L220-V233 HydrophobicContact CG-CG1 4.44Å; L220-I235 HydrophobicContact CD1-CD1 3.89Å; L220-I235 HydrophobicContact CD1-CG1 3.7Å; L220-I235 HydrophobicContact CG-CD1 4.5Å; L220-V248 HydrophobicContact CB-CG2 4.32Å; L220-V248 HydrophobicContact CD1-CG2 4.34Å |
| 221 | R | 96.1 | Very high | 95.8 | Very high | 151 Ų | 151 | 67.3 Ų | 67.3 | 57% | 0.57 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65 | -36.6 | 178.5 | -162.3 | 170.2 | -169 | -114.1 | 1.4 | 112.4 | D217 P218 D219 G225 I230 | D217-R221 VanDerWaalsContact O-CB 3.29Å; D217-R221 WeakPolarHBondContact O-CB 3.48Å; D217-R221 PolarHBondContact O-N 3.4Å; P218-R221 PolarHBondContact O-N 3.4Å; D219-R221 VanDerWaalsContact C-N 3.33Å; R221-G225 WeakPolarHBondContact O-CA 2.98Å; R221-G225 PolarHBondContact O-N 3.3Å; R221-I230 HydrophobicContact CB-CD1 4.35Å; R221-I230 HydrophobicContact CG-CD1 3.91Å |
| 222 | Q | 95.8 | Very high | 95.7 | Very high | 157 Ų | 157 | 70.6 Ų | 70.6 | 73% | 0.734 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67 | -46 | 175 | -176.7 | 174.6 | 5.4 | 0 | 0 | 111.4 | P218 D219 L220 | P218-Q222 WeakPolarHBondContact O-CB 3.01Å; P218-Q222 PolarHBondContact O-N 3.1Å; D219-Q222 PolarHBondContact O-N 3.48Å; L220-Q222 VanDerWaalsContact C-N 3.32Å; L220-Q222 PolarHBondContact O-N 3.43Å |
| 223 | M | 94.4 | Very high | 95.7 | Very high | 31 Ų | 31 | 71.1 Ų | 71.1 | 15% | 0.153 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.4 | -39.9 | -176.5 | -166.8 | 175.1 | 69.7 | 0 | 0 | 113 | F215 D219 L220 Q226 F227 L263 V268 I273 | F215-M223 HydrophobicContact CE1-SD 4.48Å; D219-M223 WeakPolarHBondContact O-CB 3.14Å; D219-M223 PolarHBondContact O-N 3.37Å; L220-M223 HydrophobicContact CD2-CE 4.28Å; L220-M223 PolarHBondContact O-N 2.94Å; M223-Q226 PolarHBondContact O-NE2 3.17Å; M223-F227 WeakPolarHBondContact O-CE2 3.2Å; M223-L263 HydrophobicContact CE-CD1 4.34Å; M223-L263 HydrophobicContact CG-CD1 4.18Å; M223-L263 HydrophobicContact CG-CD2 3.94Å; M223-L263 HydrophobicContact SD-CD2 4.38Å; M223-V268 HydrophobicContact SD-CG2 3.82Å; M223-I273 HydrophobicContact CE-CD1 3.51Å; M223-I273 HydrophobicContact SD-CD1 4.05Å |
| 224 | F | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -91.1 | -23.7 | -178.9 | -76.8 | -89.9 | 0 | 0 | 0 | 113.3 | L206 V208 L220 Q226 F227 I230 V248 F250 A259 L263 V275 | L206-F224 HydrophobicContact CD1-CE1 4.33Å; V208-F224 HydrophobicContact CB-CE2 4.5Å; V208-F224 HydrophobicContact CB-CZ 4.3Å; V208-F224 HydrophobicContact CG1-CE2 4.01Å; V208-F224 HydrophobicContact CG1-CZ 3.88Å; V208-F224 HydrophobicContact CG2-CE1 4.16Å; V208-F224 HydrophobicContact CG2-CE2 3.74Å; V208-F224 HydrophobicContact CG2-CZ 3.38Å; L220-F224 HydrophobicContact CD2-CD2 4.29Å; L220-F224 HydrophobicContact CD2-CE2 3.99Å; L220-F224 WeakPolarHBondContact O-CB 3.47Å; L220-F224 WeakPolarHBondContact O-CD2 3.39Å; L220-F224 PolarHBondContact O-N 2.87Å; F224-Q226 PolarHBondContact O-N 3.49Å; F224-F227 PolarHBondContact O-N 3.3Å; F224-F227 VanDerWaalsContact O-N 3.1Å; F224-I230 HydrophobicContact CB-CD1 3.73Å; F224-V248 HydrophobicContact CB-CG1 4.2Å; F224-V248 HydrophobicContact CD2-CG2 4.09Å; F224-V248 HydrophobicContact CE2-CG2 4.36Å; F224-V248 HydrophobicContact CG-CG1 4.36Å; F224-V248 HydrophobicContact CG-CG2 4.32Å; F224-F250 HydrophobicContact CB-CE2 4.39Å; F224-F250 HydrophobicContact CB-CZ 3.83Å; F224-F250 AromaticContact CD1-CE2 3.96Å; F224-F250 HydrophobicContact CD1-CE2 3.96Å; F224-F250 AromaticContact CD1-CZ 3.92Å; F224-F250 HydrophobicContact CD1-CZ 3.92Å; F224-F250 HydrophobicContact CG-CZ 4.36Å; F224-A259 HydrophobicContact CD1-CB 3.98Å; F224-A259 HydrophobicContact CE1-CB 4.38Å; F224-L263 HydrophobicContact CD1-CD1 3.47Å; F224-L263 VanDerWaalsContact CD1-CD1 3.47Å; F224-L263 HydrophobicContact CD2-CD1 4.04Å; F224-L263 HydrophobicContact CE1-CB 4.49Å; F224-L263 HydrophobicContact CE1-CD1 3.32Å; F224-L263 HydrophobicContact CE2-CD1 3.92Å; F224-L263 HydrophobicContact CG-CD1 3.82Å; F224-L263 HydrophobicContact CZ-CD1 3.55Å; F224-V275 HydrophobicContact CE1-CG1 4.11Å; F224-V275 HydrophobicContact CE1-CG2 4.16Å; F224-V275 HydrophobicContact CZ-CG1 4.38Å; F224-V275 HydrophobicContact CZ-CG2 3.83Å |
| 225 | G | 95.6 | Very high | 95.8 | Very high | 35 Ų | 35 | 59.7 Ų | 59.7 | 36% | 0.361 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.7 | -19.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R221 F227 | R221-G225 WeakPolarHBondContact O-CA 2.98Å; R221-G225 PolarHBondContact O-N 3.3Å; G225-F227 PolarHBondContact O-N 2.74Å |
| 226 | Q | 95.7 | Very high | 95.7 | Very high | 138 Ų | 138 | 60.5 Ų | 60.5 | 65% | 0.645 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -18.8 | 172.7 | 65.9 | -177 | -7.5 | 0 | 0 | 113.6 | M223 F224 | M223-Q226 PolarHBondContact O-NE2 3.17Å; F224-Q226 PolarHBondContact O-N 3.49Å |
| 227 | F | 95.4 | Very high | 95.7 | Very high | 23 Ų | 23 | 60.7 Ų | 60.7 | 10% | 0.101 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -26.1 | -178.5 | -59.4 | -64.4 | 0 | 0 | 0 | 113.3 | M223 F224 G225 F250 D255 A259 K262 L263 | M223-F227 WeakPolarHBondContact O-CE2 3.2Å; F224-F227 PolarHBondContact O-N 3.3Å; F224-F227 VanDerWaalsContact O-N 3.1Å; G225-F227 PolarHBondContact O-N 2.74Å; F227-F250 HydrophobicContact CB-CE1 4.4Å; F227-D255 WeakPolarHBondContact O-CB 3.34Å; F227-A259 HydrophobicContact CB-CB 3.72Å; F227-A259 HydrophobicContact CD2-CB 3.54Å; F227-A259 HydrophobicContact CE2-CB 4.36Å; F227-A259 HydrophobicContact CG-CB 3.7Å; F227-K262 HydrophobicContact CD1-CD 4.05Å; F227-K262 HydrophobicContact CE1-CB 4.02Å; F227-K262 HydrophobicContact CE1-CD 3.31Å; F227-K262 HydrophobicContact CE1-CG 4.3Å; F227-K262 HydrophobicContact CZ-CB 3.93Å; F227-K262 HydrophobicContact CZ-CD 4.05Å; F227-L263 HydrophobicContact CD2-CD1 4.09Å; F227-L263 HydrophobicContact CE2-CD1 3.49Å; F227-L263 VanDerWaalsContact CE2-CD1 3.49Å; F227-L263 HydrophobicContact CE2-CD2 4.05Å; F227-L263 HydrophobicContact CE2-CG 3.57Å; F227-L263 HydrophobicContact CZ-CD1 4.46Å; F227-L263 HydrophobicContact CZ-CD2 4.36Å; F227-L263 HydrophobicContact CZ-CG 4.08Å |
| 228 | G | 94.8 | Very high | 95.7 | Very high | 17 Ų | 17 | 61.8 Ų | 61.8 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | S | Bend | trans | 174.6 | 175.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I230 | G228-I230 PolarHBondContact O-N 3.42Š|
| 229 | K | 96.1 | Very high | 95.5 | Very high | 120 Ų | 120 | 67.1 Ų | 67.1 | 52% | 0.522 | 33% | 0.33 | S | S | . | . | | | trans | -73.1 | 125.7 | -178.9 | -168.7 | -163.5 | -178.2 | -171.8 | 0 | 110.8 | E251 | K229-E251 HydrophobicContact CB-CB 4.3Å; K229-E251 HydrophobicContact CD-CB 4.34Å; K229-E251 WeakPolarHBondContact CD-OE2 3.48Å; K229-E251 IonicContact NZ-OE1 2.7Å; K229-E251 PolarHBondContact NZ-OE1 3.41Å; K229-E251 IonicContact NZ-OE2 2.74Å; K229-E251 PolarHBondContact NZ-OE2 2.98Å; K229-E251 PolarHBondContact O-N 3.02Å |
| 230 | I | 96.4 | Very high | 95.4 | Very high | 13 Ų | 13 | 76.1 Ų | 76.1 | 7% | 0.067 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 127 | 177.8 | -61.2 | 166 | 0 | 0 | 0 | 109.4 | R221 F224 G228 V233 V248 F250 | R221-I230 HydrophobicContact CB-CD1 4.35Å; R221-I230 HydrophobicContact CG-CD1 3.91Å; F224-I230 HydrophobicContact CB-CD1 3.73Å; G228-I230 PolarHBondContact O-N 3.42Å; I230-V233 HydrophobicContact CG2-CG2 3.53Å; I230-V248 HydrophobicContact CD1-CG1 4.08Å; I230-V248 HydrophobicContact CG1-CG1 3.99Å; I230-V248 HydrophobicContact CG2-CG1 3.86Å; I230-F250 HydrophobicContact CG1-CD1 4.38Å; I230-F250 HydrophobicContact CG1-CE1 4.09Å; I230-F250 HydrophobicContact CG1-CZ 4.37Å |
| 231 | L | 95.6 | Very high | 95.3 | Very high | 92 Ų | 92 | 77.5 Ų | 77.5 | 48% | 0.482 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -45 | 175.8 | -64.7 | 179.1 | 0 | 0 | 0 | 112.1 | P203 T249 E251 | P203-L231 HydrophobicContact CB-CD1 3.71Å; L231-T249 HydrophobicContact CB-CG2 4.43Å; L231-T249 HydrophobicContact CD1-CG2 4.43Å; L231-T249 PolarHBondContact N-O 3.18Å; L231-E251 HydrophobicContact CD1-CB 4.31Å; L231-E251 HydrophobicContact CD2-CB 4.03Å; L231-E251 HydrophobicContact CD2-CG 4.35Å; L231-E251 HydrophobicContact CG-CB 4.02Å |
| 232 | D | 94.9 | Very high | 95.3 | Very high | 71 Ų | 71 | 71 Ų | 71 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 142.5 | -172.7 | -174.5 | 43.4 | 0 | 0 | 0 | 110.5 | T249 | D232-T249 PolarHBondContact N-O 3.19Å; D232-T249 PolarHBondContact O-N 2.97Å |
| 233 | V | 96.4 | Very high | 95.3 | Very high | 16 Ų | 16 | 68.7 Ų | 68.7 | 10% | 0.097 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 135.1 | 173 | -178 | 0 | 0 | 0 | 0 | 106.9 | D217 L220 I230 F247 V248 | D217-V233 HydrophobicContact CB-CG1 4.4Å; L220-V233 HydrophobicContact CB-CG1 3.91Å; L220-V233 HydrophobicContact CD1-CG1 3.72Å; L220-V233 HydrophobicContact CG-CG1 4.44Å; I230-V233 HydrophobicContact CG2-CG2 3.53Å; V233-F247 WeakPolarHBondContact CA-O 3.32Å; V233-V248 HydrophobicContact CG1-CG2 4.49Å |
| 234 | E | 95.8 | Very high | 95.3 | Very high | 52 Ų | 52 | 67.5 Ų | 67.5 | 24% | 0.243 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 126.1 | 176.6 | -178.6 | -170.8 | -153.3 | 0 | 0 | 109.4 | R205 I236 G246 F247 R281 | R205-E234 IonicContact CZ-OE2 3.78Å; R205-E234 IonicContact NH2-OE2 2.63Å; R205-E234 PolarHBondContact NH2-OE2 3.28Å; E234-I236 HydrophobicContact CG-CD1 3.92Å; E234-G246 CarbonylContact O-C 3.58Å; E234-G246 WeakPolarHBondContact O-CA 3.4Å; E234-F247 PolarHBondContact N-O 2.9Å; E234-F247 PolarHBondContact O-N 3.07Å; E234-R281 IonicContact OE1-CZ 3.86Å; E234-R281 IonicContact OE1-NH2 2.68Å; E234-R281 PolarHBondContact OE1-NH2 3.17Å; E234-R281 IonicContact OE2-CZ 3.2Å; E234-R281 IonicContact OE2-NE 3.64Å; E234-R281 IonicContact OE2-NH1 3.95Å; E234-R281 IonicContact OE2-NH2 2.6Å; E234-R281 PolarHBondContact OE2-NH2 2.92Å |
| 235 | I | 96.3 | Very high | 95.4 | Very high | 13 Ų | 13 | 69.5 Ų | 69.5 | 7% | 0.067 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 133 | 171 | -66.2 | 168.1 | 0 | 0 | 0 | 108.7 | F215 L220 F237 | F215-I235 WeakPolarHBondContact O-CD1 3.47Å; L220-I235 HydrophobicContact CD1-CD1 3.89Å; L220-I235 HydrophobicContact CD1-CG1 3.7Å; L220-I235 HydrophobicContact CG-CD1 4.5Å; I235-F237 HydrophobicContact CB-CD2 4.45Å; I235-F237 HydrophobicContact CB-CE2 3.69Å; I235-F237 HydrophobicContact CB-CZ 4.06Å; I235-F237 HydrophobicContact CG2-CD2 4.18Å; I235-F237 HydrophobicContact CG2-CE1 4.28Å; I235-F237 HydrophobicContact CG2-CE2 3.59Å; I235-F237 HydrophobicContact CG2-CZ 3.62Å; I235-F237 WeakPolarHBondContact O-CD2 3.45Å; I235-F237 WeakPolarHBondContact O-CE2 3.3Å |
| 236 | I | 95.3 | Very high | 95.4 | Very high | 37 Ų | 37 | 67.9 Ų | 67.9 | 19% | 0.19 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 121.4 | 179.4 | -53.1 | -54.1 | 0 | 0 | 0 | 109.2 | E234 K243 F245 F247 | E234-I236 HydrophobicContact CG-CD1 3.92Å; I236-K243 HydrophobicContact CB-CD 4.41Å; I236-K243 HydrophobicContact CG2-CD 3.6Å; I236-K243 HydrophobicContact CG2-CG 4.32Å; I236-K243 WeakPolarHBondContact O-CB 3Å; I236-K243 PolarHBondContact O-N 3.44Å; I236-F245 HydrophobicContact CB-CD2 4.33Å; I236-F245 HydrophobicContact CB-CE1 4.25Å; I236-F245 HydrophobicContact CB-CE2 3.72Å; I236-F245 HydrophobicContact CB-CZ 3.66Å; I236-F245 HydrophobicContact CG1-CD2 4.02Å; I236-F245 HydrophobicContact CG1-CE2 3.36Å; I236-F245 HydrophobicContact CG1-CZ 3.79Å; I236-F245 HydrophobicContact CG2-CE1 4.44Å; I236-F245 HydrophobicContact CG2-CE2 4.31Å; I236-F245 HydrophobicContact CG2-CZ 3.82Å; I236-F245 PolarHBondContact N-O 2.95Å; I236-F247 HydrophobicContact CD1-CD2 4.2Å; I236-F247 HydrophobicContact CD1-CE2 3.97Å; I236-F247 HydrophobicContact CG1-CD2 4.23Å; I236-F247 HydrophobicContact CG1-CE2 3.8Å |
| 237 | F | 95.1 | Very high | 95.5 | Very high | 96 Ų | 96 | 62.6 Ų | 62.6 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 148.3 | 174.3 | -63.5 | -92 | 0 | 0 | 0 | 110.6 | I235 S242 | I235-F237 HydrophobicContact CB-CD2 4.45Å; I235-F237 HydrophobicContact CB-CE2 3.69Å; I235-F237 HydrophobicContact CB-CZ 4.06Å; I235-F237 HydrophobicContact CG2-CD2 4.18Å; I235-F237 HydrophobicContact CG2-CE1 4.28Å; I235-F237 HydrophobicContact CG2-CE2 3.59Å; I235-F237 HydrophobicContact CG2-CZ 3.62Å; I235-F237 WeakPolarHBondContact O-CD2 3.45Å; I235-F237 WeakPolarHBondContact O-CE2 3.3Å; F237-S242 VanDerWaalsContact CD1-CA 3.46Å |
| 238 | N | 95.1 | Very high | 95.6 | Very high | 95 Ų | 95 | 61.5 Ų | 61.5 | 51% | 0.508 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 175.2 | 163.8 | -163.8 | 7.2 | 0 | 0 | 0 | 108.1 | R240 G241 K243 | N238-R240 PolarHBondContact O-N 2.82Å; N238-G241 PolarHBondContact N-O 3.11Å; N238-G241 PolarHBondContact O-N 2.85Å; N238-G241 VanDerWaalsContact O-O 3.13Å; N238-K243 HydrophobicContact CB-CD 4.31Å; N238-K243 HydrophobicContact CB-CG 3.85Å |
| 239 | E | 94.1 | Very high | 95.6 | Very high | 196 Ų | 196 | 61.7 Ų | 61.7 | 92% | 0.916 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -27.9 | 179.5 | -59.5 | -177.1 | 134.7 | 0 | 0 | 113 | | |
| 240 | R | 93.5 | Very high | 95.7 | Very high | 245 Ų | 245 | 56 Ų | 56 | 93% | 0.925 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -6.5 | 178.2 | -56.4 | -174.5 | 78.1 | -143 | 4.7 | 114.2 | N238 | N238-R240 PolarHBondContact O-N 2.82Š|
| 241 | G | 93.6 | Very high | 95.6 | Very high | 30 Ų | 30 | 59.4 Ų | 59.4 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 124.8 | -162.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N238 | N238-G241 PolarHBondContact N-O 3.11Å; N238-G241 PolarHBondContact O-N 2.85Å; N238-G241 VanDerWaalsContact O-O 3.13Å |
| 242 | S | 94.9 | Very high | 95.6 | Very high | 13 Ų | 13 | 56.2 Ų | 56.2 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 143.3 | -175.4 | 64.2 | 0 | 0 | 0 | 0 | 111.4 | F213 F237 G244 | F213-S242 VanDerWaalsContact C-OG 3.23Å; F213-S242 WeakPolarHBondContact CA-OG 3.5Å; F213-S242 WeakPolarHBondContact CB-OG 3.37Å; F213-S242 VanDerWaalsContact CD1-O 3.23Å; F213-S242 WeakPolarHBondContact CD1-O 3.33Å; F213-S242 PolarHBondContact O-OG 2.75Å; F237-S242 VanDerWaalsContact CD1-CA 3.46Å; S242-G244 PolarHBondContact O-N 3.46Å |
| 243 | K | 96.2 | Very high | 95.6 | Very high | 110 Ų | 110 | 54.4 Ų | 54.4 | 48% | 0.478 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 2.6 | 176.7 | -65.8 | -176 | 77.1 | -170 | 0 | 113 | I236 N238 F245 | I236-K243 HydrophobicContact CB-CD 4.41Å; I236-K243 HydrophobicContact CG2-CD 3.6Å; I236-K243 HydrophobicContact CG2-CG 4.32Å; I236-K243 WeakPolarHBondContact O-CB 3Å; I236-K243 PolarHBondContact O-N 3.44Å; N238-K243 HydrophobicContact CB-CD 4.31Å; N238-K243 HydrophobicContact CB-CG 3.85Å; K243-F245 VanDerWaalsContact C-N 3.28Å; K243-F245 HydrophobicContact CB-CD1 3.55Å; K243-F245 HydrophobicContact CB-CE1 3.36Å; K243-F245 HydrophobicContact CB-CZ 4.37Å; K243-F245 HydrophobicContact CD-CE1 3.67Å; K243-F245 HydrophobicContact CD-CZ 4.09Å; K243-F245 HydrophobicContact CG-CE1 4.13Å; K243-F245 PolarHBondContact O-N 3.26Å |
| 244 | G | 95.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 56.5 Ų | 56.5 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 71.2 | 23.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N210 I211 S242 | N210-G244 WeakPolarHBondContact CA-O 3.29Å; N210-G244 PolarHBondContact N-O 3.44Å; I211-G244 VanDerWaalsContact CG1-C 3.48Å; I211-G244 WeakPolarHBondContact CG1-O 3.29Å; I211-G244 PolarHBondContact N-O 3.04Å; I211-G244 WeakPolarHBondContact O-CA 3.14Å; S242-G244 PolarHBondContact O-N 3.46Å |
| 245 | F | 96.8 | Very high | 95.5 | Very high | 43 Ų | 43 | 55.8 Ų | 55.8 | 19% | 0.189 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 157.8 | 170.3 | 73.9 | -89.4 | 0 | 0 | 0 | 111.2 | H207 V208 I236 K243 F247 | H207-F245 AromaticContact CD2-CD2 3.95Å; H207-F245 AromaticContact NE2-CD2 3.58Å; H207-F245 AromaticContact NE2-CG 3.95Å; V208-F245 CarbonylContact O-C 3.59Å; V208-F245 WeakPolarHBondContact O-CA 3.5Å; V208-F245 VanDerWaalsContact O-CB 3.29Å; V208-F245 WeakPolarHBondContact O-CB 3.35Å; I236-F245 HydrophobicContact CB-CD2 4.33Å; I236-F245 HydrophobicContact CB-CE1 4.25Å; I236-F245 HydrophobicContact CB-CE2 3.72Å; I236-F245 HydrophobicContact CB-CZ 3.66Å; I236-F245 HydrophobicContact CG1-CD2 4.02Å; I236-F245 HydrophobicContact CG1-CE2 3.36Å; I236-F245 HydrophobicContact CG1-CZ 3.79Å; I236-F245 HydrophobicContact CG2-CE1 4.44Å; I236-F245 HydrophobicContact CG2-CE2 4.31Å; I236-F245 HydrophobicContact CG2-CZ 3.82Å; I236-F245 PolarHBondContact N-O 2.95Å; K243-F245 VanDerWaalsContact C-N 3.28Å; K243-F245 HydrophobicContact CB-CD1 3.55Å; K243-F245 HydrophobicContact CB-CE1 3.36Å; K243-F245 HydrophobicContact CB-CZ 4.37Å; K243-F245 HydrophobicContact CD-CE1 3.67Å; K243-F245 HydrophobicContact CD-CZ 4.09Å; K243-F245 HydrophobicContact CG-CE1 4.13Å; K243-F245 PolarHBondContact O-N 3.26Å; F245-F247 HydrophobicContact CD2-CE2 4.41Å; F245-F247 HydrophobicContact CE2-CE2 4.07Å; F245-F247 HydrophobicContact CE2-CZ 4.25Å |
| 246 | G | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | -176.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | V208 E234 | V208-G246 PolarHBondContact N-O 3.22Å; V208-G246 PolarHBondContact O-N 2.94Å; E234-G246 CarbonylContact O-C 3.58Å; E234-G246 WeakPolarHBondContact O-CA 3.4Å |
| 247 | F | 97.1 | Very high | 95.5 | Very high | 27 Ų | 27 | 57.2 Ų | 57.2 | 12% | 0.118 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 140.4 | 179.2 | -59.4 | -82.5 | 0 | 0 | 0 | 109.9 | R205 L206 H207 V233 E234 I236 F245 A278 | R205-F247 HydrophobicContact CG-CB 4.33Å; L206-F247 CarbonylContact O-C 3.58Å; L206-F247 WeakPolarHBondContact O-CA 3.5Å; H207-F247 HydrophobicContact CB-CD1 4.05Å; H207-F247 HydrophobicContact CB-CE1 3.93Å; H207-F247 AromaticContact CD2-CE1 3.64Å; H207-F247 AromaticContact CD2-CZ 3.99Å; V233-F247 WeakPolarHBondContact CA-O 3.32Å; E234-F247 PolarHBondContact N-O 2.9Å; E234-F247 PolarHBondContact O-N 3.07Å; I236-F247 HydrophobicContact CD1-CD2 4.2Å; I236-F247 HydrophobicContact CD1-CE2 3.97Å; I236-F247 HydrophobicContact CG1-CD2 4.23Å; I236-F247 HydrophobicContact CG1-CE2 3.8Å; F245-F247 HydrophobicContact CD2-CE2 4.41Å; F245-F247 HydrophobicContact CE2-CE2 4.07Å; F245-F247 HydrophobicContact CE2-CZ 4.25Å; F247-A278 HydrophobicContact CD1-CB 3.85Å; F247-A278 HydrophobicContact CE1-CB 4.13Å |
| 248 | V | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 124.7 | 176 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | R205 L206 V208 L220 F224 I230 V233 F250 | R205-V248 CarbonylContact C-O 3.49Å; R205-V248 WeakPolarHBondContact CA-O 3.41Å; L206-V248 PolarHBondContact N-O 3.18Å; L206-V248 PolarHBondContact O-N 2.96Å; V208-V248 HydrophobicContact CG2-CG2 4.16Å; L220-V248 HydrophobicContact CB-CG2 4.32Å; L220-V248 HydrophobicContact CD1-CG2 4.34Å; F224-V248 HydrophobicContact CB-CG1 4.2Å; F224-V248 HydrophobicContact CD2-CG2 4.09Å; F224-V248 HydrophobicContact CE2-CG2 4.36Å; F224-V248 HydrophobicContact CG-CG1 4.36Å; F224-V248 HydrophobicContact CG-CG2 4.32Å; I230-V248 HydrophobicContact CD1-CG1 4.08Å; I230-V248 HydrophobicContact CG1-CG1 3.99Å; I230-V248 HydrophobicContact CG2-CG1 3.86Å; V233-V248 HydrophobicContact CG1-CG2 4.49Å; V248-F250 HydrophobicContact CG1-CD2 4.11Å; V248-F250 HydrophobicContact CG1-CE2 3.75Å; V248-F250 HydrophobicContact CG1-CZ 4.36Å |
| 249 | T | 95.9 | Very high | 95.7 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 14% | 0.135 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 116.4 | 177.6 | -48.8 | 0 | 0 | 0 | 0 | 109 | P203 L231 D232 | P203-T249 HydrophobicContact CB-CG2 4.34Å; L231-T249 HydrophobicContact CB-CG2 4.43Å; L231-T249 HydrophobicContact CD1-CG2 4.43Å; L231-T249 PolarHBondContact N-O 3.18Å; D232-T249 PolarHBondContact N-O 3.19Å; D232-T249 PolarHBondContact O-N 2.97Å |
| 250 | F | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 154.1 | 173.3 | -77.2 | -93.1 | 0 | 0 | 0 | 111.2 | P203 K204 L206 F224 F227 I230 V248 S252 D255 A256 A259 | P203-F250 CarbonylContact C-O 3.58Å; P203-F250 WeakPolarHBondContact CA-O 3.43Å; P203-F250 WeakPolarHBondContact CB-O 3.3Å; K204-F250 PolarHBondContact N-O 3.36Å; K204-F250 VanDerWaalsContact N-O 3.12Å; K204-F250 PolarHBondContact O-N 3.39Å; L206-F250 HydrophobicContact CD1-CD2 4.13Å; L206-F250 HydrophobicContact CD1-CE2 3.76Å; L206-F250 HydrophobicContact CG-CD2 4.46Å; F224-F250 HydrophobicContact CB-CE2 4.39Å; F224-F250 HydrophobicContact CB-CZ 3.83Å; F224-F250 AromaticContact CD1-CE2 3.96Å; F224-F250 HydrophobicContact CD1-CE2 3.96Å; F224-F250 AromaticContact CD1-CZ 3.92Å; F224-F250 HydrophobicContact CD1-CZ 3.92Å; F224-F250 HydrophobicContact CG-CZ 4.36Å; F227-F250 HydrophobicContact CB-CE1 4.4Å; I230-F250 HydrophobicContact CG1-CD1 4.38Å; I230-F250 HydrophobicContact CG1-CE1 4.09Å; I230-F250 HydrophobicContact CG1-CZ 4.37Å; V248-F250 HydrophobicContact CG1-CD2 4.11Å; V248-F250 HydrophobicContact CG1-CE2 3.75Å; V248-F250 HydrophobicContact CG1-CZ 4.36Å; F250-S252 WeakPolarHBondContact CB-O 3.37Å; F250-D255 HydrophobicContact CD1-CB 4.12Å; F250-A256 HydrophobicContact CB-CB 3.98Å; F250-A256 HydrophobicContact CD2-CB 3.69Å; F250-A256 HydrophobicContact CE2-CB 4.41Å; F250-A256 HydrophobicContact CG-CB 3.94Å; F250-A259 HydrophobicContact CE2-CB 4.12Å; F250-A259 HydrophobicContact CZ-CB 3.75Å |
| 251 | E | 95.4 | Very high | 95.9 | Very high | 85 Ų | 85 | 42.4 Ų | 42.4 | 40% | 0.397 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -69 | -38.6 | 169.9 | -175.2 | 172.8 | -115.8 | 0 | 0 | 111.7 | G201 T202 P203 K229 L231 | G201-E251 CarbonylContact C-O 3.54Å; T202-E251 CarbonylContact C-O 3.53Å; P203-E251 WeakPolarHBondContact CA-O 3.35Å; K229-E251 HydrophobicContact CB-CB 4.3Å; K229-E251 HydrophobicContact CD-CB 4.34Å; K229-E251 WeakPolarHBondContact CD-OE2 3.48Å; K229-E251 IonicContact NZ-OE1 2.7Å; K229-E251 PolarHBondContact NZ-OE1 3.41Å; K229-E251 IonicContact NZ-OE2 2.74Å; K229-E251 PolarHBondContact NZ-OE2 2.98Å; K229-E251 PolarHBondContact O-N 3.02Å; L231-E251 HydrophobicContact CD1-CB 4.31Å; L231-E251 HydrophobicContact CD2-CB 4.03Å; L231-E251 HydrophobicContact CD2-CG 4.35Å; L231-E251 HydrophobicContact CG-CB 4.02Å |
| 252 | S | 95.4 | Very high | 96 | Very high | 25 Ų | 25 | 46.9 Ų | 46.9 | 18% | 0.175 | 23% | 0.225 | C | C | . | . | | | trans | -110.2 | 138.6 | 179.1 | -170.5 | 0 | 0 | 0 | 0 | 112.3 | F250 S254 D255 A256 | F250-S252 WeakPolarHBondContact CB-O 3.37Å; S252-S254 PolarHBondContact OG-OG 2.78Å; S252-D255 WeakPolarHBondContact CB-OD2 3.12Å; S252-A256 PolarHBondContact O-N 2.84Å |
| 253 | S | 94.6 | Very high | 96.1 | Very high | 32 Ų | 32 | 46.9 Ų | 46.9 | 22% | 0.224 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.2 | -36.2 | 174.5 | 54.6 | 0 | 0 | 0 | 0 | 112.9 | T202 A256 E257 | T202-S253 PolarHBondContact O-N 3.42Å; T202-S253 VanDerWaalsContact O-N 3.1Å; S253-A256 PolarHBondContact O-N 3.1Å; S253-E257 PolarHBondContact O-N 2.84Å |
| 254 | S | 95.3 | Very high | 96.1 | Very high | 60 Ų | 60 | 46 Ų | 46 | 42% | 0.42 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 178.8 | 54.6 | 0 | 0 | 0 | 0 | 111.8 | S252 A256 E257 R258 | S252-S254 PolarHBondContact OG-OG 2.78Å; S254-A256 VanDerWaalsContact C-N 3.31Å; S254-A256 PolarHBondContact O-N 3.38Å; S254-E257 PolarHBondContact O-N 2.84Å; S254-R258 WeakPolarHBondContact O-CG 3.38Å; S254-R258 PolarHBondContact O-N 3.11Å; S254-R258 VanDerWaalsContact O-N 3.1Å |
| 255 | D | 95.9 | Very high | 96.1 | Very high | 38 Ų | 38 | 47.7 Ų | 47.7 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.9 | -36.9 | 178 | -67.3 | -28.1 | 0 | 0 | 0 | 112.1 | F227 F250 S252 E257 R258 A259 | F227-D255 WeakPolarHBondContact O-CB 3.34Å; F250-D255 HydrophobicContact CD1-CB 4.12Å; S252-D255 WeakPolarHBondContact CB-OD2 3.12Å; D255-E257 VanDerWaalsContact C-N 3.34Å; D255-E257 PolarHBondContact O-N 3.12Å; D255-R258 PolarHBondContact O-N 2.7Å; D255-R258 IonicContact OD1-NH1 3.63Å; D255-A259 WeakPolarHBondContact O-CB 3.49Å; D255-A259 PolarHBondContact O-N 3.49Å |
| 256 | A | 95.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.7 | -37.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K204 L206 F250 S252 S253 S254 R260 | K204-A256 HydrophobicContact CB-CB 3.79Å; K204-A256 HydrophobicContact CD-CB 3.89Å; K204-A256 HydrophobicContact CG-CB 3.88Å; L206-A256 HydrophobicContact CD1-CB 4.05Å; L206-A256 VanDerWaalsContact CD1-O 3.3Å; L206-A256 WeakPolarHBondContact CD1-O 3.43Å; L206-A256 HydrophobicContact CD2-CB 4.12Å; L206-A256 HydrophobicContact CG-CB 4.05Å; F250-A256 HydrophobicContact CB-CB 3.98Å; F250-A256 HydrophobicContact CD2-CB 3.69Å; F250-A256 HydrophobicContact CE2-CB 4.41Å; F250-A256 HydrophobicContact CG-CB 3.94Å; S252-A256 PolarHBondContact O-N 2.84Å; S253-A256 PolarHBondContact O-N 3.1Å; S254-A256 VanDerWaalsContact C-N 3.31Å; S254-A256 PolarHBondContact O-N 3.38Å; A256-R260 WeakPolarHBondContact O-CB 3.14Å; A256-R260 PolarHBondContact O-N 3.12Å |
| 257 | E | 95.7 | Very high | 96.1 | Very high | 80 Ų | 80 | 53.3 Ų | 53.3 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.5 | -44 | 176.1 | -70.6 | -175.8 | 176 | 0 | 0 | 111.9 | K204 S253 S254 D255 A259 R260 E261 | K204-E257 VanDerWaalsContact NZ-CD 3.35Å; K204-E257 IonicContact NZ-OE1 3.49Å; K204-E257 PolarHBondContact NZ-OE1 3.14Å; S253-E257 PolarHBondContact O-N 2.84Å; S254-E257 PolarHBondContact O-N 2.84Å; D255-E257 VanDerWaalsContact C-N 3.34Å; D255-E257 PolarHBondContact O-N 3.12Å; E257-A259 VanDerWaalsContact C-N 3.31Å; E257-A259 PolarHBondContact O-N 3.47Å; E257-R260 WeakPolarHBondContact O-CB 3.39Å; E257-R260 PolarHBondContact O-N 2.85Å; E257-E261 WeakPolarHBondContact O-CG 3.23Å; E257-E261 PolarHBondContact O-N 3.17Å |
| 258 | R | 96.4 | Very high | 95.9 | Very high | 125 Ų | 125 | 53.1 Ų | 53.1 | 47% | 0.472 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.5 | -41.2 | 175.5 | -65.9 | 172.1 | 71.4 | -150.6 | 4.8 | 112 | S254 D255 K262 | S254-R258 WeakPolarHBondContact O-CG 3.38Å; S254-R258 PolarHBondContact O-N 3.11Å; S254-R258 VanDerWaalsContact O-N 3.1Å; D255-R258 PolarHBondContact O-N 2.7Å; D255-R258 IonicContact OD1-NH1 3.63Å; R258-K262 WeakPolarHBondContact O-CG 3.35Å; R258-K262 PolarHBondContact O-N 3Å |
| 259 | A | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L206 F224 F227 F250 D255 E257 K262 L263 | L206-A259 HydrophobicContact CD1-CB 4.38Å; F224-A259 HydrophobicContact CD1-CB 3.98Å; F224-A259 HydrophobicContact CE1-CB 4.38Å; F227-A259 HydrophobicContact CB-CB 3.72Å; F227-A259 HydrophobicContact CD2-CB 3.54Å; F227-A259 HydrophobicContact CE2-CB 4.36Å; F227-A259 HydrophobicContact CG-CB 3.7Å; F250-A259 HydrophobicContact CE2-CB 4.12Å; F250-A259 HydrophobicContact CZ-CB 3.75Å; D255-A259 WeakPolarHBondContact O-CB 3.49Å; D255-A259 PolarHBondContact O-N 3.49Å; E257-A259 VanDerWaalsContact C-N 3.31Å; E257-A259 PolarHBondContact O-N 3.47Å; A259-K262 PolarHBondContact O-N 3Å; A259-L263 VanDerWaalsContact O-CB 3.29Å; A259-L263 WeakPolarHBondContact O-CB 3.42Å; A259-L263 PolarHBondContact O-N 2.73Å |
| 260 | R | 96.8 | Very high | 95.6 | Very high | 67 Ų | 67 | 62 Ų | 62 | 25% | 0.253 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.3 | -51 | 177 | 179.5 | -169.9 | 67.9 | -177.9 | 1.9 | 111 | L206 A256 E257 K262 H264 V275 N277 | L206-R260 HydrophobicContact CD1-CB 4.45Å; A256-R260 WeakPolarHBondContact O-CB 3.14Å; A256-R260 PolarHBondContact O-N 3.12Å; E257-R260 WeakPolarHBondContact O-CB 3.39Å; E257-R260 PolarHBondContact O-N 2.85Å; R260-K262 VanDerWaalsContact C-N 3.31Å; R260-K262 PolarHBondContact O-N 3.33Å; R260-H264 WeakPolarHBondContact O-CB 3.45Å; R260-H264 PolarHBondContact O-N 2.67Å; R260-V275 HydrophobicContact CB-CG1 4.04Å; R260-V275 HydrophobicContact CG-CB 4.27Å; R260-V275 HydrophobicContact CG-CG1 4.09Å; R260-V275 WeakPolarHBondContact CG-O 3.07Å; R260-N277 PolarHBondContact NH1-OD1 3.08Å |
| 261 | E | 96 | Very high | 95.5 | Very high | 129 Ų | 129 | 65.6 Ų | 65.6 | 60% | 0.603 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.4 | -36.6 | -176.6 | -72.9 | 167 | -165.8 | 0 | 0 | 113.1 | E257 | E257-E261 WeakPolarHBondContact O-CG 3.23Å; E257-E261 PolarHBondContact O-N 3.17Å |
| 262 | K | 95.8 | Very high | 95.6 | Very high | 123 Ų | 123 | 67.9 Ų | 67.9 | 54% | 0.535 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -83.6 | -35.1 | -177.8 | -72.2 | 177.9 | 174.9 | -175.3 | 0 | 114 | F227 R258 A259 R260 T266 | F227-K262 HydrophobicContact CD1-CD 4.05Å; F227-K262 HydrophobicContact CE1-CB 4.02Å; F227-K262 HydrophobicContact CE1-CD 3.31Å; F227-K262 HydrophobicContact CE1-CG 4.3Å; F227-K262 HydrophobicContact CZ-CB 3.93Å; F227-K262 HydrophobicContact CZ-CD 4.05Å; R258-K262 WeakPolarHBondContact O-CG 3.35Å; R258-K262 PolarHBondContact O-N 3Å; A259-K262 PolarHBondContact O-N 3Å; R260-K262 VanDerWaalsContact C-N 3.31Å; R260-K262 PolarHBondContact O-N 3.33Å; K262-T266 WeakPolarHBondContact O-CG2 3.41Å |
| 263 | L | 95.8 | Very high | 95.7 | Very high | 13 Ų | 13 | 66.7 Ų | 66.7 | 7% | 0.068 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -94.4 | -22.8 | -175.1 | -70.3 | 176.6 | 0 | 0 | 0 | 113.3 | M223 F224 F227 A259 G265 T266 I273 V275 | M223-L263 HydrophobicContact CE-CD1 4.34Å; M223-L263 HydrophobicContact CG-CD1 4.18Å; M223-L263 HydrophobicContact CG-CD2 3.94Å; M223-L263 HydrophobicContact SD-CD2 4.38Å; F224-L263 HydrophobicContact CD1-CD1 3.47Å; F224-L263 VanDerWaalsContact CD1-CD1 3.47Å; F224-L263 HydrophobicContact CD2-CD1 4.04Å; F224-L263 HydrophobicContact CE1-CB 4.49Å; F224-L263 HydrophobicContact CE1-CD1 3.32Å; F224-L263 HydrophobicContact CE2-CD1 3.92Å; F224-L263 HydrophobicContact CG-CD1 3.82Å; F224-L263 HydrophobicContact CZ-CD1 3.55Å; F227-L263 HydrophobicContact CD2-CD1 4.09Å; F227-L263 HydrophobicContact CE2-CD1 3.49Å; F227-L263 VanDerWaalsContact CE2-CD1 3.49Å; F227-L263 HydrophobicContact CE2-CD2 4.05Å; F227-L263 HydrophobicContact CE2-CG 3.57Å; F227-L263 HydrophobicContact CZ-CD1 4.46Å; F227-L263 HydrophobicContact CZ-CD2 4.36Å; F227-L263 HydrophobicContact CZ-CG 4.08Å; A259-L263 VanDerWaalsContact O-CB 3.29Å; A259-L263 WeakPolarHBondContact O-CB 3.42Å; A259-L263 PolarHBondContact O-N 2.73Å; L263-G265 PolarHBondContact O-N 2.98Å; L263-T266 WeakPolarHBondContact O-CB 3.47Å; L263-T266 WeakPolarHBondContact O-CG2 3.29Å; L263-T266 PolarHBondContact O-N 2.97Å; L263-T266 VanDerWaalsContact O-N 3.11Å; L263-T266 PolarHBondContact O-OG1 3.12Å; L263-I273 HydrophobicContact CB-CD1 4.19Å; L263-I273 VanDerWaalsContact O-CG1 3.3Å; L263-I273 WeakPolarHBondContact O-CG1 3.2Å; L263-V275 HydrophobicContact CB-CG2 3.94Å |
| 264 | H | 96.9 | Very high | 95.8 | Very high | 93 Ų | 93 | 69.6 Ų | 69.6 | 43% | 0.431 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 125.9 | 177 | -174.5 | 96.4 | 0 | 0 | 0 | 110.7 | R260 T266 V275 | R260-H264 WeakPolarHBondContact O-CB 3.45Å; R260-H264 PolarHBondContact O-N 2.67Å; H264-T266 VanDerWaalsContact C-N 3.3Å; H264-T266 PolarHBondContact O-N 2.91Å; H264-V275 HydrophobicContact CB-CB 4.24Å; H264-V275 PolarHBondContact ND1-N 2.96Å; H264-V275 VanDerWaalsContact ND1-N 3.12Å; H264-V275 PolarHBondContact ND1-O 3.04Å |
| 265 | G | 95.7 | Very high | 95.9 | Very high | 40 Ų | 40 | 66.8 Ų | 66.8 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -1.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | L263 I273 | L263-G265 PolarHBondContact O-N 2.98Å; G265-I273 WeakPolarHBondContact CA-O 3.41Å; G265-I273 PolarHBondContact N-O 2.89Å |
| 266 | T | 95.9 | Very high | 95.9 | Very high | 44 Ų | 44 | 68.4 Ų | 68.4 | 27% | 0.27 | 34% | 0.343 | S | S | . | . | | | trans | -70.6 | 149 | 178.4 | 60.2 | 0 | 0 | 0 | 0 | 112 | K262 L263 H264 K272 I273 | K262-T266 WeakPolarHBondContact O-CG2 3.41Å; L263-T266 WeakPolarHBondContact O-CB 3.47Å; L263-T266 WeakPolarHBondContact O-CG2 3.29Å; L263-T266 PolarHBondContact O-N 2.97Å; L263-T266 VanDerWaalsContact O-N 3.11Å; L263-T266 PolarHBondContact O-OG1 3.12Å; H264-T266 VanDerWaalsContact C-N 3.3Å; H264-T266 PolarHBondContact O-N 2.91Å; T266-K272 CarbonylContact O-C 3.57Å; T266-K272 WeakPolarHBondContact O-CA 3.41Å; T266-I273 PolarHBondContact O-N 2.83Å; T266-I273 WeakPolarHBondContact OG1-CD1 3.31Å; T266-I273 VanDerWaalsContact OG1-CG1 3.29Å; T266-I273 WeakPolarHBondContact OG1-CG1 3.13Å |
| 267 | L | 96.1 | Very high | 95.9 | Very high | 116 Ų | 116 | 72.2 Ų | 72.2 | 61% | 0.607 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116 | 178.9 | -76.6 | 159.2 | 0 | 0 | 0 | 110 | R271 K272 | L267-R271 CarbonylContact C-O 3.38Å; L267-R271 WeakPolarHBondContact CA-O 3.27Å; L267-K272 HydrophobicContact CD2-CB 4.46Å; L267-K272 HydrophobicContact CD2-CD 4.46Å; L267-K272 HydrophobicContact CD2-CG 3.41Å; L267-K272 VanDerWaalsContact CD2-CG 3.41Å; L267-K272 HydrophobicContact CG-CG 3.98Å |
| 268 | V | 94.1 | Very high | 95.9 | Very high | 23 Ų | 23 | 69.4 Ų | 69.4 | 14% | 0.139 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 118.9 | 177.7 | -177 | 0 | 0 | 0 | 0 | 108.5 | P212 F215 M223 G270 R271 I273 | P212-V268 HydrophobicContact CG-CG1 4.34Å; F215-V268 HydrophobicContact CE1-CG1 4.07Å; F215-V268 HydrophobicContact CE2-CG1 3.96Å; F215-V268 HydrophobicContact CZ-CG1 3.33Å; M223-V268 HydrophobicContact SD-CG2 3.82Å; V268-G270 PolarHBondContact O-N 2.86Å; V268-G270 VanDerWaalsContact O-N 3.14Å; V268-R271 PolarHBondContact N-O 2.79Å; V268-R271 PolarHBondContact O-N 2.72Å; V268-I273 HydrophobicContact CB-CG2 3.86Å; V268-I273 HydrophobicContact CG2-CD1 3.97Å; V268-I273 HydrophobicContact CG2-CG1 4.23Å; V268-I273 HydrophobicContact CG2-CG2 3.79Å |
| 269 | E | 92.6 | Very high | 95.5 | Very high | 139 Ų | 139 | 69.2 Ų | 69.2 | 65% | 0.65 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 37.5 | -173.3 | -55.3 | -169.3 | 147.8 | 0 | 0 | 113.4 | P212 F215 R271 | P212-E269 HydrophobicContact CB-CB 4.49Å; P212-E269 WeakPolarHBondContact CB-OE2 3.4Å; P212-E269 HydrophobicContact CG-CB 3.79Å; P212-E269 HydrophobicContact CG-CG 3.98Å; P212-E269 WeakPolarHBondContact CG-OE2 3.08Å; F215-E269 HydrophobicContact CE2-CG 4.46Å; E269-R271 VanDerWaalsContact C-N 3.3Å; E269-R271 PolarHBondContact O-N 3.5Å |
| 270 | G | 94.1 | Very high | 94.7 | Very high | 69 Ų | 69 | 73.5 Ų | 73.5 | 71% | 0.711 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 4.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | V268 | V268-G270 PolarHBondContact O-N 2.86Å; V268-G270 VanDerWaalsContact O-N 3.14Å |
| 271 | R | 95.5 | Very high | 93.9 | Very high | 77 Ų | 77 | 76.2 Ų | 76.2 | 29% | 0.291 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 132.5 | 176.4 | -56.6 | -176 | 74.2 | 155.9 | 1.1 | 110.5 | N210 L267 V268 E269 I273 | N210-R271 PolarHBondContact OD1-NE 2.77Å; N210-R271 VanDerWaalsContact OD1-NE 3.17Å; N210-R271 PolarHBondContact OD1-NH2 3.43Å; L267-R271 CarbonylContact C-O 3.38Å; L267-R271 WeakPolarHBondContact CA-O 3.27Å; V268-R271 PolarHBondContact N-O 2.79Å; V268-R271 PolarHBondContact O-N 2.72Å; E269-R271 VanDerWaalsContact C-N 3.3Å; E269-R271 PolarHBondContact O-N 3.5Å; R271-I273 PolarHBondContact O-N 2.85Å |
| 272 | K | 97.2 | Very high | 93.1 | Very high | 132 Ų | 132 | 76.2 Ų | 76.2 | 57% | 0.574 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 108.3 | 173.9 | -68.8 | -173.6 | 178.8 | -176.7 | 0 | 109.5 | N210 T266 L267 | N210-K272 WeakPolarHBondContact CB-O 3.44Å; N210-K272 PolarHBondContact ND2-O 3.29Å; T266-K272 CarbonylContact O-C 3.57Å; T266-K272 WeakPolarHBondContact O-CA 3.41Å; L267-K272 HydrophobicContact CD2-CB 4.46Å; L267-K272 HydrophobicContact CD2-CD 4.46Å; L267-K272 HydrophobicContact CD2-CG 3.41Å; L267-K272 VanDerWaalsContact CD2-CG 3.41Å; L267-K272 HydrophobicContact CG-CG 3.98Å |
| 273 | I | 97.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 43% | 0.433 | C | S | . | . | | | trans | -76.7 | 150.3 | 177.9 | 68.4 | 168.7 | 0 | 0 | 0 | 110.1 | S209 I211 M223 L263 G265 T266 V268 R271 | S209-I273 WeakPolarHBondContact O-CA 3.42Å; I211-I273 HydrophobicContact CG2-CB 4.49Å; I211-I273 HydrophobicContact CG2-CG2 3.98Å; M223-I273 HydrophobicContact CE-CD1 3.51Å; M223-I273 HydrophobicContact SD-CD1 4.05Å; L263-I273 HydrophobicContact CB-CD1 4.19Å; L263-I273 VanDerWaalsContact O-CG1 3.3Å; L263-I273 WeakPolarHBondContact O-CG1 3.2Å; G265-I273 WeakPolarHBondContact CA-O 3.41Å; G265-I273 PolarHBondContact N-O 2.89Å; T266-I273 PolarHBondContact O-N 2.83Å; T266-I273 WeakPolarHBondContact OG1-CD1 3.31Å; T266-I273 VanDerWaalsContact OG1-CG1 3.29Å; T266-I273 WeakPolarHBondContact OG1-CG1 3.13Å; V268-I273 HydrophobicContact CB-CG2 3.86Å; V268-I273 HydrophobicContact CG2-CD1 3.97Å; V268-I273 HydrophobicContact CG2-CG1 4.23Å; V268-I273 HydrophobicContact CG2-CG2 3.79Å; R271-I273 PolarHBondContact O-N 2.85Å |
| 274 | E | 96.9 | Very high | 90 | Very high | 94 Ų | 94 | 82.7 Ų | 82.7 | 44% | 0.439 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129.3 | 177.3 | -72.6 | 174.1 | 175.2 | 0 | 0 | 108.6 | V208 S209 | V208-E274 CarbonylContact C-O 3.58Å; V208-E274 VanDerWaalsContact CA-O 3.31Å; V208-E274 WeakPolarHBondContact CA-O 3.3Å; S209-E274 PolarHBondContact N-O 2.8Å; S209-E274 PolarHBondContact O-N 3.39Å; S209-E274 VanDerWaalsContact OG-CB 3.27Å; S209-E274 WeakPolarHBondContact OG-CB 3.43Å; S209-E274 PolarHBondContact OG-O 2.97Å; S209-E274 PolarHBondContact OG-OE2 2.79Å |
| 275 | V | 97.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 84.9 Ų | 84.9 | 0% | 0 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 121 | 176.8 | -170.3 | 0 | 0 | 0 | 0 | 108.9 | L206 H207 V208 F224 R260 L263 H264 | L206-V275 HydrophobicContact CB-CG1 4.11Å; L206-V275 HydrophobicContact CD1-CG1 3.84Å; L206-V275 HydrophobicContact CG-CG1 4.44Å; H207-V275 CarbonylContact O-C 3.52Å; H207-V275 WeakPolarHBondContact O-CA 3.46Å; V208-V275 HydrophobicContact CG1-CG2 4.34Å; V208-V275 HydrophobicContact CG2-CG1 4.49Å; F224-V275 HydrophobicContact CE1-CG1 4.11Å; F224-V275 HydrophobicContact CE1-CG2 4.16Å; F224-V275 HydrophobicContact CZ-CG1 4.38Å; F224-V275 HydrophobicContact CZ-CG2 3.83Å; R260-V275 HydrophobicContact CB-CG1 4.04Å; R260-V275 HydrophobicContact CG-CB 4.27Å; R260-V275 HydrophobicContact CG-CG1 4.09Å; R260-V275 WeakPolarHBondContact CG-O 3.07Å; L263-V275 HydrophobicContact CB-CG2 3.94Å; H264-V275 HydrophobicContact CB-CB 4.24Å; H264-V275 PolarHBondContact ND1-N 2.96Å; H264-V275 VanDerWaalsContact ND1-N 3.12Å; H264-V275 PolarHBondContact ND1-O 3.04Å |
| 276 | N | 96.6 | Very high | 85.9 | Confident | 72 Ų | 72 | 91.8 Ų | 91.8 | 39% | 0.385 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 163.4 | -180 | -71.7 | -33.4 | 0 | 0 | 0 | 110.2 | L206 H207 A278 | L206-N276 CarbonylContact C-O 3.58Å; L206-N276 WeakPolarHBondContact CA-O 3.17Å; H207-N276 PolarHBondContact N-O 2.87Å; H207-N276 PolarHBondContact O-N 2.71Å; N276-A278 PolarHBondContact O-N 2.6Å |
| 277 | N | 95.8 | Very high | 83.7 | Confident | 81 Ų | 81 | 97.5 Ų | 97.5 | 43% | 0.433 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 133.9 | 170.4 | -66.1 | 27.9 | 0 | 0 | 0 | 108.8 | R260 | R260-N277 PolarHBondContact NH1-OD1 3.08Å |
| 278 | A | 93.9 | Very high | 81.7 | Confident | 20 Ų | 20 | 100.1 Ų | 100.1 | 17% | 0.165 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 141.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | R205 H207 F247 N276 A280 | R205-A278 HydrophobicContact CB-CB 3.86Å; R205-A278 HydrophobicContact CG-CB 3.66Å; R205-A278 VanDerWaalsContact O-CB 3.3Å; R205-A278 WeakPolarHBondContact O-CB 3.41Å; R205-A278 PolarHBondContact O-N 2.81Å; H207-A278 HydrophobicContact CB-CB 4.28Å; F247-A278 HydrophobicContact CD1-CB 3.85Å; F247-A278 HydrophobicContact CE1-CB 4.13Å; N276-A278 PolarHBondContact O-N 2.6Å; A278-A280 PolarHBondContact O-N 3.23Å |
| 279 | T | 89.4 | Confident | 79.6 | Confident | 121 Ų | 121 | 104.3 Ų | 104.3 | 74% | 0.742 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 134.9 | 161.5 | 36.1 | 0 | 0 | 0 | 0 | 108.9 | R281 | T279-R281 PolarHBondContact O-N 3.25Š|
| 280 | A | 79.9 | Confident | 77.7 | Confident | 91 Ų | 91 | 102 Ų | 102 | 75% | 0.752 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 135.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | A278 V282 | A278-A280 PolarHBondContact O-N 3.23Å; A280-V282 PolarHBondContact O-N 2.75Å |
| 281 | R | 79.8 | Confident | 75.8 | Confident | 123 Ų | 123 | 104.1 Ų | 104.1 | 46% | 0.464 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 122 | 167.2 | -80.3 | 172.8 | 152.7 | -175.6 | -17.6 | 106.7 | E234 T279 M283 | E234-R281 IonicContact OE1-CZ 3.86Å; E234-R281 IonicContact OE1-NH2 2.68Å; E234-R281 PolarHBondContact OE1-NH2 3.17Å; E234-R281 IonicContact OE2-CZ 3.2Å; E234-R281 IonicContact OE2-NE 3.64Å; E234-R281 IonicContact OE2-NH1 3.95Å; E234-R281 IonicContact OE2-NH2 2.6Å; E234-R281 PolarHBondContact OE2-NH2 2.92Å; T279-R281 PolarHBondContact O-N 3.25Å; R281-M283 HydrophobicContact CB-SD 3.96Å; R281-M283 PolarHBondContact O-N 3.34Å |
| 282 | V | 78.1 | Confident | 73.7 | Confident | 129 Ų | 129 | 110.5 Ų | 110.5 | 78% | 0.782 | 58% | 0.577 | S | S | * | * | | | trans | -68.1 | 89.3 | 166.1 | -177.8 | 0 | 0 | 0 | 0 | 105.8 | A280 T284 | A280-V282 PolarHBondContact O-N 2.75Å; V282-T284 HydrophobicContact CG1-CG2 3.97Å; V282-T284 PolarHBondContact O-N 3.49Å |
| 283 | M | 65.3 | Low | 71.5 | Confident | 159 Ų | 159 | 107.9 Ų | 107.9 | 78% | 0.783 | 58% | 0.58 | S | S | * | * | | | trans | -66.8 | 90.7 | 163 | -96.3 | 89.3 | 123.4 | 0 | 0 | 105.9 | R281 N285 | R281-M283 HydrophobicContact CB-SD 3.96Å; R281-M283 PolarHBondContact O-N 3.34Å; M283-N285 PolarHBondContact O-N 3.43Å |
| 284 | T | 61.9 | Low | 69 | Low | 113 Ų | 113 | 114.4 Ų | 114.4 | 69% | 0.693 | 62% | 0.615 | S | S | * | * | | | trans | -64.8 | 92.5 | 154.2 | 64 | 0 | 0 | 0 | 0 | 104 | V282 K286 | V282-T284 HydrophobicContact CG1-CG2 3.97Å; V282-T284 PolarHBondContact O-N 3.49Å; T284-K286 PolarHBondContact O-N 2.83Å |
| 285 | N | 52.1 | Low | 67 | Low | 140 Ų | 140 | 114.5 Ų | 114.5 | 75% | 0.749 | 64% | 0.641 | S | S | * | * | | | trans | -65.6 | 80.3 | 174.6 | -164.9 | -5.5 | 0 | 0 | 0 | 106.1 | M283 K287 | M283-N285 PolarHBondContact O-N 3.43Å; N285-K287 PolarHBondContact O-N 3.22Å |
| 286 | K | 53.7 | Low | 64.8 | Low | 185 Ų | 185 | 123 Ų | 123 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | | | trans | -71.4 | 79.3 | 165.7 | -167.3 | 174.2 | 175.4 | -179.8 | 0 | 102.8 | T284 M288 | T284-K286 PolarHBondContact O-N 2.83Å; K286-M288 PolarHBondContact O-N 2.7Å |
| 287 | K | 50.9 | Low | 62.4 | Low | 164 Ų | 164 | 123.1 Ų | 123.1 | 71% | 0.713 | 70% | 0.698 | S | S | * | * | | | trans | -41.3 | 105.9 | 157.6 | 29.5 | 175.7 | 173.1 | 174.5 | 0 | 103.9 | N285 T289 | N285-K287 PolarHBondContact O-N 3.22Å; K287-T289 PolarHBondContact O-N 2.68Å |
| 288 | M | 53.5 | Low | 60.1 | Low | 171 Ų | 171 | 128 Ų | 128 | 84% | 0.842 | 72% | 0.724 | S | S | * | * | | | trans | -65.8 | 88.3 | 168.1 | -176.2 | 155.8 | -82.5 | 0 | 0 | 102.8 | K286 T290 | K286-M288 PolarHBondContact O-N 2.7Å; M288-T290 PolarHBondContact O-N 2.63Å |
| 289 | T | 49.8 | Very low | 58 | Low | 110 Ų | 110 | 131.7 Ų | 131.7 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | | | trans | -61.5 | 97.4 | 164.5 | -84.2 | 0 | 0 | 0 | 0 | 103.6 | K287 P291 | K287-T289 PolarHBondContact O-N 2.68Å; T289-P291 WeakPolarHBondContact O-CD 3.43Å |
| 290 | T | 53.6 | Low | 56.2 | Low | 90 Ų | 90 | 130.3 Ų | 130.3 | 55% | 0.552 | 76% | 0.755 | S | S | * | * | | | trans | -49.4 | 122.9 | 156.4 | -41 | 0 | 0 | 0 | 0 | 105.7 | M288 Y292 | M288-T290 PolarHBondContact O-N 2.63Å; T290-Y292 PolarHBondContact O-N 3.49Å |
| 291 | P | 54.1 | Low | 54.6 | Low | 114 Ų | 114 | 133.9 Ų | 133.9 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -66.7 | 9.8 | -176.5 | 22.6 | -30.3 | 0 | 0 | 0 | 114.6 | T289 | T289-P291 WeakPolarHBondContact O-CD 3.43Š|
| 292 | Y | 51.1 | Low | 53.2 | Low | 212 Ų | 212 | 133.8 Ų | 133.8 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | | | trans | -136.1 | 59.9 | 176.8 | -81.7 | -85.8 | 0 | 0 | 0 | 111.3 | T290 | T290-Y292 PolarHBondContact O-N 3.49Š|
| 293 | A | 50.3 | Low | 51.8 | Low | 76 Ų | 76 | 138.5 Ų | 138.5 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -80.8 | -15.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 294 | N | 44.1 | Very low | 50.8 | Low | 138 Ų | 138 | 135.1 Ų | 135.1 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | trans | 172.7 | 126.6 | -174 | 39.6 | -23.8 | 0 | 0 | 0 | 110.7 | E296 | N294-E296 PolarHBondContact O-N 2.85Š|
| 295 | G | 54.8 | Low | 50.2 | Low | 95 Ų | 95 | 132.8 Ų | 132.8 | 98% | 0.979 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -74.5 | 53.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 296 | E | 52.7 | Low | 49.6 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | | | trans | -155.7 | 91.2 | 179.6 | -156.4 | 176.4 | -169.4 | 0 | 0 | 110.2 | N294 | N294-E296 PolarHBondContact O-N 2.85Š|
| 297 | G | 44.8 | Very low | 48.8 | Very low | 74 Ų | 74 | 139.2 Ų | 139.2 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | trans | 179.2 | 13.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | A299 | G297-A299 VanDerWaalsContact C-N 3.31Å; G297-A299 PolarHBondContact O-N 2.77Å |
| 298 | L | 47.8 | Very low | 48.4 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 96% | 0.963 | 80% | 0.8 | S | S | * | * | | | trans | -93 | 33.7 | 178.8 | -67.1 | -177 | 0 | 0 | 0 | 113.8 | | |
| 299 | A | 50.9 | Low | 47.6 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -143.1 | 50.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G297 | G297-A299 VanDerWaalsContact C-N 3.31Å; G297-A299 PolarHBondContact O-N 2.77Å |
| 300 | A | 51.1 | Low | 47.7 | Very low | 91 Ų | 91 | 136.7 Ų | 136.7 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -173.7 | 98.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 301 | L | 46.8 | Very low | 47.2 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | trans | 161.1 | 153.3 | 138.8 | -80.9 | -179.3 | 0 | 0 | 0 | 110.8 | | |
| 302 | P | 50.6 | Low | 46.8 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | | | trans | -115.2 | 54.1 | -132.8 | 41.5 | -32.5 | 0 | 0 | 0 | 115.8 | | |
| 303 | Y | 47.8 | Very low | 46.3 | Very low | 228 Ų | 228 | 136.6 Ų | 136.6 | 89% | 0.894 | 82% | 0.824 | S | S | * | * | | | trans | -168.2 | 152.8 | 161.8 | -159.8 | -107.9 | 0 | 0 | 0 | 112.1 | | |
| 304 | A | 43.8 | Very low | 46 | Very low | 87 Ų | 87 | 137.7 Ų | 137.7 | 72% | 0.719 | 83% | 0.833 | S | S | * | * | | | trans | 80.6 | 91.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 305 | G | 50.8 | Low | 46 | Very low | 64 Ų | 64 | 139.6 Ų | 139.6 | 66% | 0.66 | 84% | 0.839 | S | S | * | * | | | | 66.9 | 96.4 | 58.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 306 | W | 38.8 | Very low | 45.2 | Very low | 263 Ų | 263 | 145.3 Ų | 145.3 | 100% | 0.996 | 83% | 0.833 | S | S | * | * | | | | -146 | 130.8 | 53.9 | -68.9 | 72.6 | 0 | 0 | 0 | 110.1 | | |
| 307 | K | 37.8 | Very low | 44.4 | Very low | 198 Ų | 198 | 141.8 Ų | 141.8 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | | | trans | -99.3 | 102.2 | -179.5 | -179.6 | 170.6 | 169 | 179 | 0 | 108.5 | | |
| 308 | L | 41.8 | Very low | 44.2 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | | | trans | -98 | 111.7 | 165.6 | -142.5 | 79.6 | 0 | 0 | 0 | 108 | | |
| 309 | S | 37.4 | Very low | 43.7 | Very low | 88 Ų | 88 | 141.9 Ų | 141.9 | 62% | 0.615 | 81% | 0.813 | S | S | * | * | | | trans | -64.1 | 141.6 | 175.2 | -64.7 | 0 | 0 | 0 | 0 | 111.3 | M311 | S309-M311 PolarHBondContact O-N 3.38Š|
| 310 | P | 51.3 | Low | 43.2 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -90.5 | 73 | 175.5 | 36.2 | -31.3 | 0 | 0 | 0 | 109.7 | | |
| 311 | M | 41.8 | Very low | 42.4 | Very low | 176 Ų | 176 | 150.1 Ų | 150.1 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | | | trans | -157.7 | 120 | 166.5 | -109.6 | 158.4 | -170.5 | 0 | 0 | 107 | S309 | S309-M311 PolarHBondContact O-N 3.38Š|
| 312 | V | 45.5 | Very low | 41.8 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 93% | 0.933 | 81% | 0.806 | S | S | * | * | | | trans | 101 | 81.3 | -167.8 | -178 | 0 | 0 | 0 | 0 | 112.2 | | |
| 313 | G | 40.7 | Very low | 40.9 | Very low | 85 Ų | 85 | 148.3 Ų | 148.3 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | | | trans | -149.7 | 35.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 314 | A | 44.7 | Very low | 40.5 | Very low | 98 Ų | 98 | 143.3 Ų | 143.3 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | trans | -121.7 | 58.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 315 | M | 45.4 | Very low | 40.1 | Very low | 178 Ų | 178 | 142 Ų | 142 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -165 | 65.3 | 169 | -129.6 | -177.2 | 163.9 | 0 | 0 | 111.9 | | |
| 316 | Y | 36.9 | Very low | 39.3 | Very low | 216 Ų | 216 | 148.8 Ų | 148.8 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | | | trans | -176.1 | 96.1 | 139.6 | -128.6 | -106.3 | 0 | 0 | 0 | 109.6 | | |
| 317 | S | 36 | Very low | 39.7 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | | | trans | -77.2 | 142.8 | 152.8 | -66.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 318 | P | 41.2 | Very low | 39.8 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | | -120.5 | 111.3 | 127.5 | 12.2 | 6.3 | 0 | 0 | 0 | 109.8 | | |
| 319 | E | 36.2 | Very low | 40 | Very low | 147 Ų | 147 | 141 Ų | 141 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | | | trans | 8.2 | 119 | 143.1 | -63.7 | -67.1 | 134.6 | 0 | 0 | 118.1 | | |
| 320 | L | 42 | Very low | 40.3 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | | | | 37.2 | 106.5 | 126.2 | -55.9 | 178.2 | 0 | 0 | 0 | 118.3 | | |
| 321 | Y | 33.8 | Very low | 40 | Very low | 234 Ų | 234 | 140.4 Ų | 140.4 | 92% | 0.918 | 81% | 0.808 | S | S | * | * | | | trans | -130.4 | 104.2 | 134.8 | -107.2 | -89.3 | 0 | 0 | 0 | 109.6 | | |
| 322 | T | 33.1 | Very low | 40 | Very low | 113 Ų | 113 | 137 Ų | 137 | 69% | 0.693 | 81% | 0.808 | S | S | * | * | | | trans | -77.9 | 127.8 | 169.8 | 57.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 323 | V | 32 | Very low | 39.7 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | | | trans | -102.2 | 115.8 | 162.6 | 175.9 | 0 | 0 | 0 | 0 | 106.2 | | |
| 324 | P | 39.6 | Very low | 39.9 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | | | trans | -84.2 | 126.5 | 179 | 32.7 | -28.9 | 0 | 0 | 0 | 109.2 | | |
| 325 | G | 36.3 | Very low | 39.8 | Very low | 60 Ų | 60 | 135.9 Ų | 135.9 | 62% | 0.619 | 81% | 0.807 | S | S | * | * | | | trans | 173.7 | 122.5 | 169 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 326 | F | 33.3 | Very low | 39.4 | Very low | 206 Ų | 206 | 132.5 Ų | 132.5 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | | | trans | 95.3 | 100.5 | 172.7 | -58.7 | -74.7 | 0 | 0 | 0 | 117 | | |
| 327 | P | 47.8 | Very low | 39.7 | Very low | 122 Ų | 122 | 127 Ų | 127 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | | | trans | -82.4 | 133.8 | 172.5 | 32.9 | -30.9 | 0 | 0 | 0 | 111.2 | | |
| 328 | Y | 39.1 | Very low | 40.1 | Very low | 224 Ų | 224 | 127.1 Ų | 127.1 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | | | trans | -125.9 | 140.4 | 152.7 | -99.8 | -91.7 | 0 | 0 | 0 | 109 | | |
| 329 | P | 46.3 | Very low | 40 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | | | trans | -77.1 | 135.5 | -166.2 | 29.6 | -33.9 | 0 | 0 | 0 | 112.9 | | |
| 330 | A | 42.7 | Very low | 40.1 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | | | trans | -87 | 112.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 331 | A | 46.3 | Very low | 39.8 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | | | trans | -162.8 | 71.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 332 | A | 41.2 | Very low | 40 | Very low | 104 Ų | 104 | 119.6 Ų | 119.6 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | -167.2 | 17.7 | 158.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 333 | A | 40.1 | Very low | 40.1 | Very low | 111 Ų | 111 | 124 Ų | 124 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | | | trans | -104.3 | 48.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 334 | A | 43.2 | Very low | 40.3 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | | | trans | -149.3 | 59.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 335 | A | 42.8 | Very low | 39.8 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -164.2 | 59.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 336 | A | 38 | Very low | 39.9 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 88% | 0.884 | 84% | 0.837 | S | S | * | * | | | trans | -156.2 | 46.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 337 | A | 43.5 | Very low | 40.5 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | | | trans | -135.8 | 67.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 338 | S | 43.5 | Very low | 40 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 76% | 0.762 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -174.7 | 53.6 | 168.3 | 46.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 339 | T | 38.8 | Very low | 40.2 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 90% | 0.896 | 84% | 0.84 | S | S | * | * | | | trans | -161.3 | 68.2 | 153.4 | -10.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 340 | A | 38.4 | Very low | 39.5 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | | | trans | -137.9 | 69.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 341 | A | 35.9 | Very low | 39.9 | Very low | 84 Ų | 84 | 136.7 Ų | 136.7 | 69% | 0.694 | 84% | 0.843 | S | S | * | * | | | trans | -169.8 | 121.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 103.4 | | |
| 342 | T | 37.4 | Very low | 39.2 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 76% | 0.761 | 84% | 0.84 | S | S | * | * | | | | -179.2 | 134.6 | 59.6 | -30.5 | 0 | 0 | 0 | 0 | 104.1 | | |
| 343 | F | 35.7 | Very low | 39.5 | Very low | 207 Ų | 207 | 142.5 Ų | 142.5 | 91% | 0.908 | 84% | 0.841 | S | S | * | * | | | trans | -177.4 | 96.6 | 138.2 | -107.6 | -76.8 | 0 | 0 | 0 | 108.8 | | |
| 344 | R | 35.4 | Very low | 39.7 | Very low | 250 Ų | 250 | 142.5 Ų | 142.5 | 94% | 0.943 | 83% | 0.832 | S | S | * | * | | | trans | -72.8 | 137.7 | 149.3 | -80.4 | -163.2 | -164.9 | -144.7 | 7.5 | 107.1 | | |
| 345 | G | 31.1 | Very low | 39.5 | Very low | 75 Ų | 75 | 144 Ų | 144 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | | | trans | 179.2 | 101.6 | 169 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 346 | T | 37.4 | Very low | 39 | Very low | 116 Ų | 116 | 149.7 Ų | 149.7 | 71% | 0.712 | 83% | 0.831 | S | S | * | * | | | trans | -77.5 | 156.7 | 175.2 | 45.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 347 | H | 45.8 | Very low | 38.7 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | | | trans | 78 | 111.3 | 166.8 | -43.4 | -82.9 | 0 | 0 | 0 | 117.7 | | |
| 348 | L | 38.4 | Very low | 38.7 | Very low | 178 Ų | 178 | 149.4 Ų | 149.4 | 93% | 0.932 | 82% | 0.823 | S | S | * | * | | | | -173.6 | 151.6 | 103.4 | -90.9 | 164.4 | 0 | 0 | 0 | 112.1 | | |
| 349 | R | 42.8 | Very low | 38.4 | Very low | 249 Ų | 249 | 149.8 Ų | 149.8 | 94% | 0.94 | 82% | 0.821 | S | S | * | * | | | trans | -69.7 | 132.2 | -173.9 | -175.9 | 178.1 | -164 | 147.3 | 0.8 | 111.6 | | |
| 350 | G | 31.3 | Very low | 38.8 | Very low | 73 Ų | 73 | 154.4 Ų | 154.4 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | | | trans | 168.4 | 122.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A352 | G350-A352 PolarHBondContact O-N 3.17Š|
| 351 | R | 50.4 | Low | 38.5 | Very low | 259 Ų | 259 | 153.3 Ų | 153.3 | 98% | 0.977 | 81% | 0.813 | S | S | * | * | | | trans | -58 | 122 | 170.3 | -76.6 | -179.7 | 165.7 | -175.3 | -2.9 | 110.8 | | |
| 352 | A | 32.4 | Very low | 38.6 | Very low | 92 Ų | 92 | 153.7 Ų | 153.7 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | | | trans | -161.6 | 123.9 | 149.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | G350 | G350-A352 PolarHBondContact O-N 3.17Š|
| 353 | R | 47.6 | Very low | 38.7 | Very low | 236 Ų | 236 | 153.9 Ų | 153.9 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 122.5 | 169.2 | -61.7 | 168.5 | 76.6 | -173.9 | 4.7 | 106.9 | V355 | R353-V355 PolarHBondContact O-N 3.06Š|
| 354 | P | 43.1 | Very low | 38.8 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 117.6 | 167 | 26.7 | -29.6 | 0 | 0 | 0 | 108.8 | Y356 | P354-Y356 PolarHBondContact O-N 3.35Š|
| 355 | V | 39.3 | Very low | 39.1 | Very low | 132 Ų | 132 | 145.9 Ų | 145.9 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 119 | 165.5 | 173.3 | 0 | 0 | 0 | 0 | 107 | R353 S357 | R353-V355 PolarHBondContact O-N 3.06Å; V355-S357 PolarHBondContact O-N 3.17Å; V355-S357 VanDerWaalsContact O-N 3.12Å |
| 356 | Y | 32.9 | Very low | 39.5 | Very low | 222 Ų | 222 | 148 Ų | 148 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | | | trans | -73.3 | 100.7 | 165.3 | -77.6 | -84.9 | 0 | 0 | 0 | 108.2 | P354 | P354-Y356 PolarHBondContact O-N 3.35Š|
| 357 | S | 31.9 | Very low | 39.6 | Very low | 96 Ų | 96 | 147.2 Ų | 147.2 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | | | trans | -80.1 | 112.6 | 160.3 | -172.5 | 0 | 0 | 0 | 0 | 107.6 | V355 V359 | V355-S357 PolarHBondContact O-N 3.17Å; V355-S357 VanDerWaalsContact O-N 3.12Å; S357-V359 VanDerWaalsContact C-N 3.26Å; S357-V359 PolarHBondContact O-N 2.81Å |
| 358 | A | 43 | Very low | 39.3 | Very low | 105 Ų | 105 | 147 Ų | 147 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | | | trans | -75.5 | 81.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109 | R360 | A358-R360 PolarHBondContact O-N 2.94Š|
| 359 | V | 36.5 | Very low | 39.6 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 71% | 0.709 | 80% | 0.799 | S | S | * | * | | | trans | -77.7 | 107.6 | 162.6 | 174.8 | 0 | 0 | 0 | 0 | 107.6 | S357 A361 | S357-V359 VanDerWaalsContact C-N 3.26Å; S357-V359 PolarHBondContact O-N 2.81Å; V359-A361 PolarHBondContact O-N 2.88Å |
| 360 | R | 47 | Very low | 39.2 | Very low | 243 Ų | 243 | 136.4 Ų | 136.4 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | | | trans | -62.9 | 93.1 | 166.2 | -170.8 | 178.4 | -160.9 | -118.5 | 3.9 | 108.6 | A358 | A358-R360 PolarHBondContact O-N 2.94Š|
| 361 | A | 33.7 | Very low | 39.2 | Very low | 84 Ų | 84 | 143.3 Ų | 143.3 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | | | trans | -88.2 | 109.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | V359 V363 | V359-A361 PolarHBondContact O-N 2.88Å; A361-V363 PolarHBondContact O-N 2.66Å |
| 362 | A | 38.3 | Very low | 38.6 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 123.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 363 | V | 38.2 | Very low | 38.6 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -81 | 125.8 | 166.8 | 178.2 | 0 | 0 | 0 | 0 | 107.6 | A361 | A361-V363 PolarHBondContact O-N 2.66Š|
| 364 | P | 39 | Very low | 37.9 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 137.1 | 175.1 | 28.6 | -32.3 | 0 | 0 | 0 | 110.9 | | |
| 365 | Q | 40.3 | Very low | 37.5 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 137.2 | 173.1 | -59.9 | -70.6 | -30.7 | 0 | 0 | 110 | | |
| 366 | P | 40.7 | Very low | 37.1 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 132.7 | 171.7 | 28.6 | -31.1 | 0 | 0 | 0 | 111.6 | | |
| 367 | A | 39.8 | Very low | 37.2 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -71 | 139.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 368 | I | 38.8 | Very low | 37.2 | Very low | 161 Ų | 161 | 133.6 Ų | 133.6 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 126.9 | 172.9 | -57.2 | 170.9 | 0 | 0 | 0 | 108.6 | | |
| 369 | P | 43.8 | Very low | 36.5 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 124 | 172.4 | 29.4 | -29.4 | 0 | 0 | 0 | 111.5 | | |
| 370 | A | 34.9 | Very low | 36.3 | Very low | 99 Ų | 99 | 134 Ų | 134 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 132.8 | 163 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 371 | Y | 30.9 | Very low | 35.4 | Very low | 218 Ų | 218 | 130.8 Ų | 130.8 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | trans | -117.4 | 129 | 168.3 | -99.8 | -83 | 0 | 0 | 0 | 110.7 | | |
| 372 | P | 39 | Very low | 35.4 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | trans | -94.7 | 140.3 | 177.1 | 34.9 | -29.5 | 0 | 0 | 0 | 113.1 | | |
| 373 | G | 32.4 | Very low | 34.9 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | | | trans | 29.1 | 139.1 | 152 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 374 | V | 32.7 | Very low | 34.5 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 90% | 0.903 | 79% | 0.789 | S | S | * | * | | | trans | -149 | 135.7 | 138.1 | -176.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 375 | M | 33.5 | Very low | 34.2 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | | | trans | -55 | 153.1 | 173.3 | -73.2 | -90.6 | -177.5 | 0 | 0 | 115.7 | | |
| 376 | A | 32.2 | Very low | 33.8 | Very low | 79 Ų | 79 | 132.5 Ų | 132.5 | 65% | 0.653 | 79% | 0.791 | S | S | * | * | | | | 151.7 | 146.6 | 106.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 377 | Y | 34.6 | Very low | 33.4 | Very low | 200 Ų | 200 | 134.4 Ų | 134.4 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | | | trans | 77.9 | 107.1 | 165.7 | -70.4 | -87.8 | 0 | 0 | 0 | 118.5 | | |
| 378 | Q | 32.3 | Very low | 33 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | | | | 79.7 | 128.5 | 61.5 | -170.7 | 157.3 | 43.7 | 0 | 0 | 110.4 | | |
| 379 | D | 28.2 | Very low | 32.6 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | cis | -165.4 | 165.3 | 34.5 | -117.6 | -37.3 | 0 | 0 | 0 | 109.3 | | |
| 380 | G | 31.4 | Very low | 31.9 | Very low | 81 Ų | 81 | 134.9 Ų | 134.9 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | 149.7 | 111.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 381 | F | 29 | Very low | 31.7 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 77% | 0.772 | 80% | 0.804 | S | S | * | * | | | trans | -117.2 | 160.6 | -165.3 | -170.3 | -118.3 | 0 | 0 | 0 | 112.4 | | |
| 382 | Y | 33 | Very low | 31.7 | Very low | 209 Ų | 209 | 135.9 Ų | 135.9 | 82% | 0.82 | 80% | 0.802 | S | S | * | * | | | trans | 67 | 141.5 | -179.9 | -79 | -74.9 | 0 | 0 | 0 | 117.1 | | |
| 383 | G | 28 | Very low | 31.3 | Very low | 66 Ų | 66 | 134.9 Ų | 134.9 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | | | cis | 145.1 | 129.2 | 10.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 384 | A | 30 | Very low | 31.1 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | | | trans | 46 | 121.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 385 | A | 32.8 | Very low | 30.8 | Very low | 99 Ų | 99 | 145.4 Ų | 145.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | | 163.8 | 146.6 | 118.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 386 | D | 32.3 | Very low | 30.6 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | | | trans | -56.6 | 147.7 | -168.7 | -53.1 | -87 | 0 | 0 | 0 | 117.4 | | |
| 387 | L | 32.5 | Very low | 30.4 | Very low | 160 Ų | 160 | 147.3 Ų | 147.3 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | | | | 179.1 | 129 | 112.3 | -124.4 | 64.3 | 0 | 0 | 0 | 113.9 | | |
| 388 | Y | 31.5 | Very low | 30.2 | Very low | 226 Ų | 226 | 147 Ų | 147 | 89% | 0.886 | 81% | 0.81 | S | S | * | * | | | trans | 82.2 | 92.5 | 142.7 | -123.7 | -101.2 | 0 | 0 | 0 | 121.2 | | |
| 389 | G | 29.8 | Very low | 30.3 | Very low | 80 Ų | 80 | 145.7 Ų | 145.7 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | | 90.3 | 112.9 | 116.7 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 390 | G | 28.5 | Very low | 30.4 | Very low | 69 Ų | 69 | 143.7 Ų | 143.7 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | | | trans | 145.6 | 89.7 | 149.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 391 | Y | 32 | Very low | 30.5 | Very low | 241 Ų | 241 | 144.3 Ų | 144.3 | 95% | 0.945 | 82% | 0.816 | S | S | * | * | | | trans | 56.9 | 117.2 | 152.7 | -68.8 | -84.1 | 0 | 0 | 0 | 121 | | |
| 392 | A | 29.9 | Very low | 30.7 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | | | trans | -68.7 | 138.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 393 | A | 30 | Very low | 30.7 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | | | trans | -122.5 | 114.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | R395 | A393-R395 PolarHBondContact O-N 2.82Š|
| 394 | Y | 29 | Very low | 31 | Very low | 216 Ų | 216 | 139.9 Ų | 139.9 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | | | trans | -59.4 | 127 | -179.7 | -109.1 | -100.3 | 0 | 0 | 0 | 111.5 | | |
| 395 | R | 26.8 | Very low | 31.3 | Very low | 228 Ų | 228 | 141.3 Ų | 141.3 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | | | trans | -80 | 136 | 159.8 | -75.9 | -112 | -173.4 | 179.9 | 1.4 | 109.2 | A393 | A393-R395 PolarHBondContact O-N 2.82Š|
| 396 | Y | 28.1 | Very low | 31.4 | Very low | 217 Ų | 217 | 141.1 Ų | 141.1 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | | | trans | -140.4 | 96.8 | 147.6 | -120 | -94.1 | 0 | 0 | 0 | 105.4 | | |
| 397 | A | 29.3 | Very low | 31.4 | Very low | 79 Ų | 79 | 138.9 Ų | 138.9 | 65% | 0.653 | 82% | 0.822 | S | S | * | * | | | | 64 | 94.3 | 95.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 398 | Q | 30.1 | Very low | 31.5 | Very low | 193 Ų | 193 | 136.2 Ų | 136.2 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 146.5 | 162.8 | -73.4 | 171.5 | -54.1 | 0 | 0 | 110 | | |
| 399 | P | 33.3 | Very low | 31.6 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 130.4 | 147.1 | 31.6 | -24.6 | 0 | 0 | 0 | 109.6 | A401 | P399-A401 PolarHBondContact O-N 2.79Š|
| 400 | A | 30.9 | Very low | 32.1 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 88% | 0.884 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 126.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 401 | A | 32.6 | Very low | 32.6 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 78% | 0.777 | 83% | 0.83 | S | S | * | * | | | trans | -133.2 | 119.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | P399 A403 | P399-A401 PolarHBondContact O-N 2.79Å; A401-A403 PolarHBondContact O-N 2.74Å |
| 402 | V | 33.8 | Very low | 33.1 | Very low | 150 Ų | 150 | 126.8 Ų | 126.8 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | | | trans | -55.4 | 115.2 | 179.1 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 403 | A | 34.3 | Very low | 33.5 | Very low | 95 Ų | 95 | 126.9 Ų | 126.9 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | | | trans | -103.3 | 113.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110 | A401 | A401-A403 PolarHBondContact O-N 2.74Š|
| 404 | T | 32.6 | Very low | 34.1 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 69% | 0.687 | 82% | 0.82 | S | S | * | * | | | trans | -61.6 | 149.1 | 160.6 | 45.2 | 0 | 0 | 0 | 0 | 110.5 | A406 | T404-A406 PolarHBondContact O-N 2.8Š|
| 405 | P | 37.2 | Very low | 34.6 | Very low | 139 Ų | 139 | 124.9 Ų | 124.9 | 90% | 0.903 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -78.9 | 83.2 | -173.5 | 32.9 | -33.7 | 0 | 0 | 0 | 111 | | |
| 406 | A | 34 | Very low | 35.4 | Very low | 95 Ų | 95 | 118 Ų | 118 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -153.2 | 15.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | T404 | T404-A406 PolarHBondContact O-N 2.8Š|
| 407 | A | 33.4 | Very low | 36.4 | Very low | 100 Ų | 100 | 112.4 Ų | 112.4 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | | | trans | -146.1 | 49.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 408 | A | 33.4 | Very low | 37.3 | Very low | 105 Ų | 105 | 113.7 Ų | 113.7 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | | | trans | -130.2 | 65.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 409 | A | 35.4 | Very low | 37.9 | Very low | 104 Ų | 104 | 114.5 Ų | 114.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -159.9 | 38.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 410 | A | 39.5 | Very low | 38.5 | Very low | 108 Ų | 108 | 111.8 Ų | 111.8 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | | | trans | -145.9 | 40.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 411 | A | 38.3 | Very low | 39.7 | Very low | 98 Ų | 98 | 115.4 Ų | 115.4 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -139.9 | 129.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 412 | A | 43.9 | Very low | 40.4 | Very low | 107 Ų | 107 | 115.8 Ų | 115.8 | 88% | 0.884 | 77% | 0.765 | S | S | * | * | | | trans | 82.7 | 66.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 413 | A | 36.8 | Very low | 40.9 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | | | trans | -101.5 | 91.3 | 149 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y415 | A413-Y415 PolarHBondContact O-N 2.87Š|
| 414 | A | 42.6 | Very low | 41.6 | Very low | 76 Ų | 76 | 119.7 Ų | 119.7 | 63% | 0.628 | 76% | 0.759 | S | S | * | * | | | trans | -72.4 | 107.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107 | S416 V422 | A414-S416 PolarHBondContact O-N 2.8Å; A414-V422 HydrophobicContact CB-CG1 4.41Å |
| 415 | Y | 40.9 | Very low | 42.1 | Very low | 195 Ų | 195 | 119.4 Ų | 119.4 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | | | trans | -79.5 | 112.6 | 177 | -158.4 | -93.3 | 0 | 0 | 0 | 108.7 | A413 | A413-Y415 PolarHBondContact O-N 2.87Š|
| 416 | S | 43.1 | Very low | 42.1 | Very low | 82 Ų | 82 | 119.2 Ų | 119.2 | 57% | 0.573 | 76% | 0.76 | S | S | * | * | B | Isolated β-bridge | trans | -96.6 | 122 | 168.8 | 60 | 0 | 0 | 0 | 0 | 109.3 | A414 | A414-S416 PolarHBondContact O-N 2.8Å |
| 417 | D | 49 | Very low | 42.8 | Very low | 100 Ų | 100 | 119.8 Ų | 119.8 | 54% | 0.535 | 76% | 0.755 | S | S | . | * | | | trans | -77.3 | 157.4 | 167.2 | -170.3 | 15.4 | 0 | 0 | 0 | 110.4 | Y419 G420 | D417-Y419 PolarHBondContact O-N 2.85Å; D417-G420 PolarHBondContact O-N 2.89Å |
| 418 | S | 48.7 | Very low | 43 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | 2.7 | -177 | 59 | 0 | 0 | 0 | 0 | 116.9 | | |
| 419 | Y | 42.9 | Very low | 43.3 | Very low | 211 Ų | 211 | 129.3 Ų | 129.3 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | 14.6 | 172.3 | -88.8 | -90.2 | 0 | 0 | 0 | 114.2 | D417 | D417-Y419 PolarHBondContact O-N 2.85Š|
| 420 | G | 45.7 | Very low | 43.3 | Very low | 63 Ų | 63 | 128.9 Ų | 128.9 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | | | trans | 77.9 | 29.3 | 165 | 0 | 0 | 0 | 0 | 0 | 116.2 | D417 | D417-G420 PolarHBondContact O-N 2.89Š|
| 421 | R | 55.1 | Low | 43.1 | Very low | 184 Ų | 184 | 128.8 Ų | 128.8 | 69% | 0.694 | 75% | 0.752 | S | S | * | * | | | trans | -102.1 | 130.5 | 174.1 | -61.4 | -65.2 | -175.7 | 173.7 | -0.7 | 110.8 | Y423 | R421-Y423 HydrophobicContact CB-CE2 4.45Š|
| 422 | V | 47.3 | Very low | 42.8 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 61% | 0.612 | 76% | 0.758 | S | S | * | * | B | Isolated β-bridge | trans | -108.1 | 124.6 | 176.4 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | A414 | A414-V422 HydrophobicContact CB-CG1 4.41Å |
| 423 | Y | 44.3 | Very low | 42.3 | Very low | 195 Ų | 195 | 131.6 Ų | 131.6 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -104 | 125 | 170.3 | -68.4 | -84.1 | 0 | 0 | 0 | 109.5 | R421 | R421-Y423 HydrophobicContact CB-CE2 4.45Š|
| 424 | T | 49 | Very low | 42.5 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 134.7 | 168.7 | 51.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 425 | A | 43.5 | Very low | 42 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 139.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 426 | D | 37.6 | Very low | 41.6 | Very low | 136 Ų | 136 | 129.1 Ų | 129.1 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 147.3 | -177.8 | -152.8 | 22.7 | 0 | 0 | 0 | 111.7 | Y428 | D426-Y428 PolarHBondContact O-N 3.38Å; D426-Y428 VanDerWaalsContact O-N 3.16Å |
| 427 | P | 49.7 | Very low | 41.1 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -93.9 | 54.2 | -163.5 | 39.2 | -33.1 | 0 | 0 | 0 | 113.2 | | |
| 428 | Y | 36.5 | Very low | 40.2 | Very low | 204 Ų | 204 | 135.7 Ų | 135.7 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | | | trans | -135.3 | 38.8 | -178.1 | -83 | -79.7 | 0 | 0 | 0 | 114.8 | D426 | D426-Y428 PolarHBondContact O-N 3.38Å; D426-Y428 VanDerWaalsContact O-N 3.16Å |
| 429 | H | 38.9 | Very low | 39.4 | Very low | 201 Ų | 201 | 137.9 Ų | 137.9 | 93% | 0.931 | 80% | 0.798 | S | S | * | * | | | trans | -109.6 | 79 | 163.8 | -91.2 | -76.2 | 0 | 0 | 0 | 110.8 | | |
| 430 | A | 36.5 | Very low | 38.9 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -98.9 | 115.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | L432 | A430-L432 PolarHBondContact O-N 3.21Š|
| 431 | A | 34.7 | Very low | 38.5 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | | | trans | -61.1 | 126.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 432 | L | 32.8 | Very low | 37.7 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | | | trans | -80.3 | 113.3 | 166.6 | -89.7 | 156.3 | 0 | 0 | 0 | 108.9 | A430 | A430-L432 PolarHBondContact O-N 3.21Š|
| 433 | A | 33.9 | Very low | 37.3 | Very low | 85 Ų | 85 | 133.6 Ų | 133.6 | 70% | 0.702 | 83% | 0.826 | S | S | * | * | | | trans | -85.1 | 150.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 434 | P | 41 | Very low | 37.2 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | | | trans | -82.4 | 121.9 | -176.4 | 32.1 | -31 | 0 | 0 | 0 | 110.8 | | |
| 435 | A | 32.1 | Very low | 36.8 | Very low | 101 Ų | 101 | 133 Ų | 133 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | | | trans | -134.2 | 130.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 436 | A | 32.5 | Very low | 36.3 | Very low | 83 Ų | 83 | 138.6 Ų | 138.6 | 69% | 0.686 | 84% | 0.835 | S | S | * | * | | | trans | -75.5 | 167.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 437 | Y | 32.5 | Very low | 36.3 | Very low | 241 Ų | 241 | 143.8 Ų | 143.8 | 95% | 0.945 | 85% | 0.845 | S | S | * | * | | | trans | 82.4 | 131 | 166.4 | -69.4 | -88.4 | 0 | 0 | 0 | 118.9 | | |
| 438 | G | 29.6 | Very low | 35.5 | Very low | 79 Ų | 79 | 141.4 Ų | 141.4 | 81% | 0.814 | 84% | 0.84 | S | S | * | * | | | trans | 142.1 | 105.9 | 147.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 439 | V | 31.2 | Very low | 35.4 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 92% | 0.915 | 83% | 0.833 | S | S | * | * | | | trans | -71.1 | 137.7 | 175.1 | 170.2 | 0 | 0 | 0 | 0 | 112 | | |
| 440 | G | 32.7 | Very low | 35.3 | Very low | 73 Ų | 73 | 136.3 Ų | 136.3 | 75% | 0.753 | 83% | 0.832 | S | S | * | * | | | trans | 69.4 | 112.4 | 141 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 441 | A | 37.2 | Very low | 35.5 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | | | trans | -168 | 117.2 | 137.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 442 | M | 37.7 | Very low | 36 | Very low | 197 Ų | 197 | 143.9 Ų | 143.9 | 97% | 0.97 | 84% | 0.838 | S | S | * | * | | | trans | -74.3 | 128.1 | 162.5 | -75.7 | -77.4 | 155.9 | 0 | 0 | 108.9 | | |
| 443 | A | 38.9 | Very low | 36.6 | Very low | 96 Ų | 96 | 145.6 Ų | 145.6 | 79% | 0.793 | 84% | 0.838 | S | S | * | * | | | trans | -140.7 | 98.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 444 | T | 42.7 | Very low | 36.8 | Very low | 136 Ų | 136 | 146.1 Ų | 146.1 | 83% | 0.834 | 84% | 0.842 | S | S | * | * | | | trans | -52.8 | 129.2 | 158.6 | 32.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 445 | L | 40.7 | Very low | 37.7 | Very low | 179 Ų | 179 | 145.1 Ų | 145.1 | 94% | 0.937 | 84% | 0.836 | S | S | * | * | | | trans | -141.7 | 100.4 | 149.3 | -132.8 | 80.1 | 0 | 0 | 0 | 110.3 | | |
| 446 | Y | 33.6 | Very low | 38.1 | Very low | 224 Ų | 224 | 155 Ų | 155 | 88% | 0.878 | 85% | 0.853 | S | S | * | * | | | trans | -67.2 | 126.7 | 168.6 | -159.7 | -97.6 | 0 | 0 | 0 | 109 | | |
| 447 | R | 37 | Very low | 38.4 | Very low | 245 Ų | 245 | 158.6 Ų | 158.6 | 93% | 0.925 | 86% | 0.862 | S | S | * | * | | | trans | -139.7 | 84.4 | 156.9 | -159.9 | 172.8 | -160.8 | -159.2 | 4 | 109.8 | | |
| 448 | G | 33.5 | Very low | 38.7 | Very low | 57 Ų | 57 | 154.2 Ų | 154.2 | 59% | 0.588 | 86% | 0.857 | S | S | * | * | | | trans | -65.6 | 167.1 | 154.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 449 | G | 33.8 | Very low | 39.2 | Very low | 65 Ų | 65 | 158.4 Ų | 158.4 | 67% | 0.67 | 86% | 0.86 | S | S | * | * | | | cis | 175.5 | 168.2 | 4.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 450 | Y | 36.8 | Very low | 39.7 | Very low | 232 Ų | 232 | 158.8 Ų | 158.8 | 91% | 0.91 | 86% | 0.856 | S | S | * | * | | | trans | -177.8 | 90.2 | 144.1 | -109.4 | -77.6 | 0 | 0 | 0 | 108.1 | | |
| 451 | S | 41.3 | Very low | 40.1 | Very low | 127 Ų | 127 | 164.2 Ų | 164.2 | 89% | 0.888 | 86% | 0.863 | S | S | * | * | | | trans | -99.3 | 120.3 | 163.9 | -60.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 452 | R | 43.8 | Very low | 40.3 | Very low | 232 Ų | 232 | 168.3 Ų | 168.3 | 88% | 0.875 | 86% | 0.864 | S | S | * | * | | | trans | -100.3 | 98.6 | -176.6 | -160.9 | -167 | -56 | -147.5 | 3.9 | 108.8 | | |
| 453 | F | 45.3 | Very low | 40.5 | Very low | 216 Ų | 216 | 166.2 Ų | 166.2 | 95% | 0.947 | 86% | 0.856 | S | S | * | * | | | trans | -146.9 | 118.9 | 161 | -100 | -82.3 | 0 | 0 | 0 | 108.2 | | |
| 454 | A | 39.2 | Very low | 40.6 | Very low | 95 Ų | 95 | 171.6 Ų | 171.6 | 79% | 0.785 | 86% | 0.861 | S | S | * | * | | | trans | -120.7 | 137.3 | 169 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 455 | P | 58.9 | Low | 40.4 | Very low | 115 Ų | 115 | 174.6 Ų | 174.6 | 75% | 0.747 | 86% | 0.863 | S | S | * | * | | | trans | -93.6 | 137.9 | 170.8 | 34.7 | -27.7 | 0 | 0 | 0 | 110.4 | | |
| 456 | Y | 41.1 | Very low | 40.4 | Very low | 308 Ų | 308 | 174.2 Ų | 174.2 | 100% | 1.208 | 86% | 0.856 | S | S | * | * | | | trans | -162.4 | 0 | 137.8 | -102.6 | -71.1 | 0 | 0 | 0 | 109 | | |