| 1 | M | 34.6 | Very low | 35.5 | Very low | 231 Ų | 231 | 138 Ų | 138 | 100% | 1.138 | 82% | 0.818 | S | S | * | * | | | | 0 | 112.5 | 0 | -69.8 | 159.2 | 173.1 | 0 | 0 | 105.6 | | |
| 2 | S | 33.6 | Very low | 35.1 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | | | | 75.9 | 130.1 | 84 | -48 | 0 | 0 | 0 | 0 | 110 | | |
| 3 | S | 35.5 | Very low | 34.6 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | | | cis | -144.7 | 176.8 | 14.7 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 4 | G | 36.3 | Very low | 36 | Very low | 63 Ų | 63 | 127.7 Ų | 127.7 | 65% | 0.649 | 81% | 0.81 | S | S | * | * | | | trans | -102 | -160.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 5 | L | 40.6 | Very low | 35.8 | Very low | 167 Ų | 167 | 128.3 Ų | 128.3 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | trans | 78.6 | 143.3 | -177.9 | -47.7 | 176.1 | 0 | 0 | 0 | 114 | | |
| 6 | T | 40.1 | Very low | 35.7 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 66% | 0.656 | 81% | 0.81 | S | S | * | * | | | cis | -165.9 | 157.1 | -5.5 | 12.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 7 | N | 34.1 | Very low | 37.1 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | | | trans | 64.6 | 156.6 | 157.6 | -56.8 | -11.3 | 0 | 0 | 0 | 118.8 | | |
| 8 | G | 33.5 | Very low | 38.1 | Very low | 65 Ų | 65 | 125.4 Ų | 125.4 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | | | cis | 158 | 145.9 | -11.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 9 | S | 34.3 | Very low | 37.7 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | 68.6 | 151.8 | 170.6 | -67.1 | 0 | 0 | 0 | 0 | 117.6 | | |
| 10 | T | 34.9 | Very low | 37.7 | Very low | 124 Ų | 124 | 127 Ų | 127 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | | | cis | -159.5 | 142 | -4.2 | 9.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 11 | R | 33.4 | Very low | 38.4 | Very low | 250 Ų | 250 | 125.6 Ų | 125.6 | 94% | 0.943 | 79% | 0.791 | S | S | * | * | | | trans | 53 | 120.5 | 130.7 | -160.8 | -174.2 | -138.8 | -144.8 | 5.9 | 121.7 | | |
| 12 | G | 29.9 | Very low | 38.4 | Very low | 80 Ų | 80 | 123 Ų | 123 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | 163.7 | 131.9 | 154.6 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 13 | G | 28.6 | Very low | 38.5 | Very low | 74 Ų | 74 | 125.2 Ų | 125.2 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | | | trans | -132.1 | -160.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 14 | P | 55 | Low | 38.4 | Very low | 116 Ų | 116 | 125 Ų | 125 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | cis | -143.6 | -157.5 | 6.2 | 41.8 | -20.1 | 0 | 0 | 0 | 114.9 | | |
| 15 | T | 31.9 | Very low | 39 | Very low | 136 Ų | 136 | 127.9 Ų | 127.9 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | | | trans | 78.2 | 156.9 | 153.6 | 42.8 | 0 | 0 | 0 | 0 | 122.8 | | |
| 16 | S | 35.1 | Very low | 38.6 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | | | trans | -130.5 | -168.4 | -169.8 | -25.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 17 | P | 58.8 | Low | 38.6 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | cis | -121.3 | -112.2 | -12.8 | 23.2 | 4.6 | 0 | 0 | 0 | 110.4 | | |
| 18 | P | 55.1 | Low | 40.1 | Very low | 102 Ų | 102 | 122.9 Ų | 122.9 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | | | cis | -136.3 | -165.8 | -38.9 | 40.5 | -20.1 | 0 | 0 | 0 | 116.3 | | |
| 19 | I | 31.1 | Very low | 41.2 | Very low | 157 Ų | 157 | 125.6 Ų | 125.6 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | | | trans | 88.1 | 158.7 | 157.3 | -67.2 | 169.8 | 0 | 0 | 0 | 120 | | |
| 20 | T | 38.1 | Very low | 41.1 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | | | trans | -110.8 | -162.6 | -155.9 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 21 | P | 52.7 | Low | 41.1 | Very low | 98 Ų | 98 | 127.9 Ų | 127.9 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | cis | -151.8 | -177.1 | 8.7 | 47.5 | -26.5 | 0 | 0 | 0 | 121.5 | | |
| 22 | F | 33.1 | Very low | 41.1 | Very low | 177 Ų | 177 | 123 Ų | 123 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | 64.6 | 158.2 | 150.6 | -72.2 | -51.9 | 0 | 0 | 0 | 121.9 | | |
| 23 | H | 35.3 | Very low | 41.1 | Very low | 157 Ų | 157 | 123.3 Ų | 123.3 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | cis | -150.2 | 164.7 | 1.3 | -128.6 | -60.8 | 0 | 0 | 0 | 113.1 | | |
| 24 | T | 34.5 | Very low | 41.2 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | | | trans | -88.6 | 160.7 | -177.9 | -9 | 0 | 0 | 0 | 0 | 116 | | |
| 25 | P | 49.6 | Very low | 40.2 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | | | | -140.7 | -175.7 | 94.8 | 16.4 | 8.1 | 0 | 0 | 0 | 113.5 | | |
| 26 | A | 32.4 | Very low | 40.7 | Very low | 90 Ų | 90 | 129 Ų | 129 | 74% | 0.744 | 76% | 0.755 | S | S | * | * | | | cis | -167.9 | -179 | -25.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 27 | S | 39.8 | Very low | 40.8 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | | | trans | -158.5 | -150.4 | 172.7 | -47.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 28 | P | 65.1 | Low | 40.2 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | | | cis | -116.5 | -134.9 | -12.4 | 42.3 | -23.2 | 0 | 0 | 0 | 109.7 | | |
| 29 | P | 55.4 | Low | 39.1 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | | | cis | -123.6 | -166.3 | -29.4 | 39.5 | -21.5 | 0 | 0 | 0 | 112.7 | | |
| 30 | G | 33.1 | Very low | 39 | Very low | 67 Ų | 67 | 129.1 Ų | 129.1 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | | | cis | 149.1 | 147.3 | -22.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 31 | R | 35.6 | Very low | 38.8 | Very low | 222 Ų | 222 | 129.8 Ų | 129.8 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | | | trans | 79.8 | 152.3 | 162.2 | -60.6 | -172.2 | 171.4 | -134.9 | 3.6 | 118.8 | | |
| 32 | Q | 31.9 | Very low | 38.2 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | | | cis | -161.9 | 153.7 | -10.1 | -122 | 175.3 | -36.1 | 0 | 0 | 113.2 | | |
| 33 | A | 31.1 | Very low | 37.9 | Very low | 87 Ų | 87 | 126.8 Ų | 126.8 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | | | trans | 51.5 | 168.7 | 144.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 34 | Q | 30.9 | Very low | 37.5 | Very low | 190 Ų | 190 | 128.1 Ų | 128.1 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | cis | -155.3 | 173.9 | 2.4 | -145.1 | 157 | 16.6 | 0 | 0 | 110.9 | | |
| 35 | Q | 33.4 | Very low | 37.1 | Very low | 137 Ų | 137 | 127 Ų | 127 | 64% | 0.64 | 79% | 0.789 | S | S | * | * | | | trans | -115.3 | 149.6 | 175.6 | -112.5 | -95.4 | 3.2 | 0 | 0 | 109.8 | H37 | Q35-H37 PolarHBondContact NE2-NE2 3.5Å; Q35-H37 PolarHBondContact OE1-CD2 2.8Å |
| 36 | P | 42.8 | Very low | 35.9 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | | | | -154 | 169.5 | 103.4 | 39.9 | -21.9 | 0 | 0 | 0 | 117.4 | | |
| 37 | H | 36.4 | Very low | 35.6 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | | | trans | -95 | 160.2 | 160.8 | -64.8 | -93.5 | 0 | 0 | 0 | 110.8 | Q35 | Q35-H37 PolarHBondContact NE2-NE2 3.5Å; Q35-H37 PolarHBondContact OE1-CD2 2.8Å |
| 38 | P | 47 | Very low | 34.9 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | | | | -153.2 | 164.4 | 88.4 | 39.6 | -20.1 | 0 | 0 | 0 | 118.7 | | |
| 39 | V | 31.4 | Very low | 33.1 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | | | trans | 1.4 | 136.9 | 152.5 | -174.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 40 | G | 29.1 | Very low | 31.8 | Very low | 73 Ų | 73 | 135.6 Ų | 135.6 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | | | trans | -175.4 | 111.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 41 | T | 33.2 | Very low | 31.5 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | | | trans | -136.8 | 144.3 | 160.9 | 50.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 42 | P | 41.3 | Very low | 31.2 | Very low | 137 Ų | 137 | 132 Ų | 132 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | | | | -152.2 | -165.2 | 71.8 | 41.7 | -21 | 0 | 0 | 0 | 114.7 | | |
| 43 | G | 25.6 | Very low | 31.5 | Very low | 75 Ų | 75 | 130.6 Ų | 130.6 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | 147.7 | 133 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 44 | L | 28.1 | Very low | 31.1 | Very low | 185 Ų | 185 | 132.7 Ų | 132.7 | 97% | 0.969 | 80% | 0.803 | S | S | * | * | | | trans | -135 | 118 | 179.2 | -94 | 167 | 0 | 0 | 0 | 112.3 | | |
| 45 | A | 24.8 | Very low | 31 | Very low | 95 Ų | 95 | 133.5 Ų | 133.5 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -175.5 | 127.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 46 | R | 25.6 | Very low | 30.7 | Very low | 245 Ų | 245 | 133.6 Ų | 133.6 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | | | cis | 79.2 | 132.5 | 32.4 | -162.6 | 179.4 | -172.9 | -165.7 | 1.7 | 114 | | |
| 47 | A | 25 | Very low | 30.1 | Very low | 90 Ų | 90 | 138.2 Ų | 138.2 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | | | trans | 80.4 | 140.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 48 | N | 25.6 | Very low | 29.8 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | cis | -168.7 | 165.7 | -22.4 | -142 | -8 | 0 | 0 | 0 | 112.4 | | |
| 49 | Q | 28.2 | Very low | 28.9 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | | | trans | 72.5 | 159.1 | 161.1 | -57.7 | 157.7 | 129.8 | 0 | 0 | 115.9 | | |
| 50 | S | 27.1 | Very low | 29 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | | | cis | -146.3 | 159.6 | 14.5 | 61.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 51 | A | 26.2 | Very low | 29.2 | Very low | 100 Ų | 100 | 145.5 Ų | 145.5 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | | | trans | 75.7 | 116.8 | 150.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 52 | S | 30 | Very low | 29.3 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -90.5 | -177.6 | 162.2 | -43.4 | 0 | 0 | 0 | 0 | 111 | | |
| 53 | P | 37.7 | Very low | 29.1 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | | -155.4 | 163.5 | 99.9 | 39.5 | -22.1 | 0 | 0 | 0 | 117.9 | | |
| 54 | V | 24.5 | Very low | 29.7 | Very low | 131 Ų | 131 | 148.1 Ų | 148.1 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | trans | 64.9 | 144.9 | 143.2 | 162.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 55 | R | 28.8 | Very low | 30 | Very low | 207 Ų | 207 | 146.7 Ų | 146.7 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | | | cis | -155.9 | 150.3 | -23.6 | -101.3 | 179.2 | 172.7 | 171.7 | -1.1 | 105.2 | | |
| 56 | Q | 27.2 | Very low | 30.3 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | | | | 79 | 130.5 | 51.7 | -150.4 | -161.2 | 36.4 | 0 | 0 | 115.5 | | |
| 57 | R | 29 | Very low | 30.9 | Very low | 216 Ų | 216 | 143.6 Ų | 143.6 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | | | trans | 78.8 | 130 | 177.8 | -52.5 | -174.5 | -176.7 | -159.7 | -3.3 | 114 | | |
| 58 | V | 29.4 | Very low | 31.3 | Very low | 139 Ų | 139 | 143 Ų | 143 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | | | cis | 86.8 | 108.8 | 36 | 176.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 59 | T | 28.9 | Very low | 31.8 | Very low | 145 Ų | 145 | 145.4 Ų | 145.4 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | | | trans | -158.7 | 157.1 | 150.5 | 18.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 60 | Q | 33.6 | Very low | 32.5 | Very low | 183 Ų | 183 | 147 Ų | 147 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | | | trans | -123.5 | -177.8 | 170.2 | -104.7 | -155.2 | 82.3 | 0 | 0 | 108.9 | | |
| 61 | Q | 34.2 | Very low | 33 | Very low | 180 Ų | 180 | 145 Ų | 145 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | | | trans | 74.8 | 159.5 | 170.9 | -53.2 | -176.6 | -14 | 0 | 0 | 114.4 | | |
| 62 | T | 35.4 | Very low | 34 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | cis | -160.3 | 162 | 6.1 | -128.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 63 | L | 37.2 | Very low | 34.8 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | | | cis | -170.2 | -164.9 | -28.3 | -125.1 | 176.2 | 0 | 0 | 0 | 107.5 | | |
| 64 | L | 37.2 | Very low | 35.4 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | | | trans | 72.7 | 138.2 | 163.3 | -55.5 | 176.5 | 0 | 0 | 0 | 117.6 | | |
| 65 | L | 35.1 | Very low | 36.4 | Very low | 155 Ų | 155 | 144 Ų | 144 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | cis | -134.7 | 162.8 | -17.7 | -63.1 | 99.2 | 0 | 0 | 0 | 107.7 | | |
| 66 | G | 30.6 | Very low | 37.3 | Very low | 62 Ų | 62 | 141.8 Ų | 141.8 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | | | cis | 148.3 | 135.7 | -8.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 67 | K | 37.2 | Very low | 38.5 | Very low | 212 Ų | 212 | 140.2 Ų | 140.2 | 92% | 0.922 | 78% | 0.78 | S | S | * | * | | | trans | 69.1 | 140.9 | 173.6 | -45.9 | 163.9 | -172.3 | 175.2 | 0 | 114.6 | | |
| 68 | G | 33.9 | Very low | 39.5 | Very low | 79 Ų | 79 | 136 Ų | 136 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | | | cis | 144.9 | 85.8 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 69 | L | 35.6 | Very low | 40.4 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 96% | 0.963 | 77% | 0.766 | S | S | * | * | | | trans | -113.1 | 140.2 | 175.2 | -80.4 | 173.1 | 0 | 0 | 0 | 112 | | |
| 70 | K | 44.7 | Very low | 41.2 | Very low | 209 Ų | 209 | 138.2 Ų | 138.2 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | | | trans | -113.7 | 77.7 | -167.5 | -172.3 | -179.6 | 179.3 | -176.1 | 0 | 109.6 | | |
| 71 | G | 36.3 | Very low | 41.8 | Very low | 67 Ų | 67 | 132.3 Ų | 132.3 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | | | trans | -69.1 | 156.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 72 | S | 48 | Very low | 42.3 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | | | trans | -77.5 | 170.4 | -179.3 | 63.5 | 0 | 0 | 0 | 0 | 112.5 | Q74 | S72-Q74 PolarHBondContact O-N 3.27Š|
| 73 | G | 46.3 | Very low | 42.8 | Very low | 76 Ų | 76 | 133.2 Ų | 133.2 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 10.7 | -168 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 74 | Q | 50.8 | Low | 43.3 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -39.7 | -173.6 | -147.7 | 158.5 | 11.8 | 0 | 0 | 112.8 | S72 Q76 V77 | S72-Q74 PolarHBondContact O-N 3.27Å; Q74-Q76 PolarHBondContact O-N 2.86Å; Q74-V77 PolarHBondContact O-N 3.08Å |
| 75 | D | 45.2 | Very low | 43.7 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 61% | 0.61 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -68.3 | -28.4 | -176.4 | -72.6 | -52.3 | 0 | 0 | 0 | 114.5 | V77 L78 L79 | D75-V77 PolarHBondContact O-N 2.89Å; D75-L78 PolarHBondContact O-N 2.94Å; D75-L79 PolarHBondContact O-N 3.37Å |
| 76 | Q | 47.8 | Very low | 44.1 | Very low | 162 Ų | 162 | 132.8 Ų | 132.8 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -68.8 | -14.4 | 177.9 | -87.9 | -154.2 | 83.2 | 0 | 0 | 114.2 | Q74 | Q74-Q76 PolarHBondContact O-N 2.86Å |
| 77 | V | 51.5 | Low | 44.2 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -75.9 | -42.7 | 174 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | Q74 D75 L79 R80 A81 | Q74-V77 PolarHBondContact O-N 3.08Å; D75-V77 PolarHBondContact O-N 2.89Å; V77-L79 PolarHBondContact O-N 3.02Å; V77-R80 PolarHBondContact O-N 3.19Å; V77-A81 PolarHBondContact O-N 3.43Å |
| 78 | L | 50.9 | Low | 44.2 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -66.2 | -40.9 | -175.2 | -164.7 | 64.4 | 0 | 0 | 0 | 111.9 | D75 R80 A81 | D75-L78 PolarHBondContact O-N 2.94Å; L78-R80 VanDerWaalsContact C-N 3.26Å; L78-R80 PolarHBondContact O-N 3.18Å; L78-A81 WeakPolarHBondContact O-CB 3.27Å; L78-A81 PolarHBondContact O-N 2.86Å; L78-A81 VanDerWaalsContact O-N 3.16Å |
| 79 | L | 49 | Very low | 44.2 | Very low | 129 Ų | 129 | 139 Ų | 139 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -70.2 | -17.7 | -179.3 | -133.3 | 73.5 | 0 | 0 | 0 | 114.3 | D75 V77 | D75-L79 PolarHBondContact O-N 3.37Å; V77-L79 PolarHBondContact O-N 3.02Å |
| 80 | R | 44.9 | Very low | 44.3 | Very low | 201 Ų | 201 | 141.4 Ų | 141.4 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -87.4 | -24.5 | 170.9 | -89.2 | -175.8 | 170.5 | 156.8 | 0.8 | 113.7 | V77 L78 Q82 | V77-R80 PolarHBondContact O-N 3.19Å; L78-R80 VanDerWaalsContact C-N 3.26Å; L78-R80 PolarHBondContact O-N 3.18Å; R80-Q82 VanDerWaalsContact C-N 3.34Å |
| 81 | A | 47 | Very low | 44.1 | Very low | 59 Ų | 59 | 136.7 Ų | 136.7 | 49% | 0.488 | 74% | 0.741 | S | S | . | * | H | α-helix | trans | -67.1 | -35.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V77 L78 M83 | V77-A81 PolarHBondContact O-N 3.43Å; L78-A81 WeakPolarHBondContact O-CB 3.27Å; L78-A81 PolarHBondContact O-N 2.86Å; L78-A81 VanDerWaalsContact O-N 3.16Å; A81-M83 PolarHBondContact O-N 3.23Å |
| 82 | Q | 44.5 | Very low | 44.6 | Very low | 156 Ų | 156 | 139 Ų | 139 | 73% | 0.729 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -17 | -171.8 | -154.3 | 171.5 | 33.2 | 0 | 0 | 114.9 | R80 | R80-Q82 VanDerWaalsContact C-N 3.34Š|
| 83 | M | 46 | Very low | 44.5 | Very low | 158 Ų | 158 | 140.2 Ų | 140.2 | 78% | 0.778 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 12.2 | -178.6 | -84 | -155.6 | -82.2 | 0 | 0 | 115.6 | A81 | A81-M83 PolarHBondContact O-N 3.23Š|
| 84 | L | 47.3 | Very low | 44 | Very low | 161 Ų | 161 | 143.1 Ų | 143.1 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -117.5 | 10.4 | 176.6 | -79.5 | 172.5 | 0 | 0 | 0 | 115.2 | | |
| 85 | Q | 45.1 | Very low | 43.2 | Very low | 183 Ų | 183 | 138.9 Ų | 138.9 | 86% | 0.855 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -106.4 | 22.3 | 179.3 | -63.8 | -167.5 | -4.8 | 0 | 0 | 114.4 | | |
| 86 | S | 42.8 | Very low | 42.5 | Very low | 92 Ų | 92 | 139.8 Ų | 139.8 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | | | trans | -145.2 | 58.6 | -172.4 | 50.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 87 | L | 34.3 | Very low | 41.6 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 93% | 0.927 | 77% | 0.769 | S | S | * | * | | | trans | -121.1 | 137 | 153.1 | -79.7 | 178.5 | 0 | 0 | 0 | 110.8 | | |
| 88 | T | 36.4 | Very low | 40.6 | Very low | 132 Ų | 132 | 141 Ų | 141 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 138.2 | -156.6 | 41 | 0 | 0 | 0 | 0 | 113.8 | | |
| 89 | L | 33.9 | Very low | 40 | Very low | 175 Ų | 175 | 141.8 Ų | 141.8 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 130.6 | 159.6 | -76.2 | 170.5 | 0 | 0 | 0 | 109.3 | | |
| 90 | R | 37.8 | Very low | 39.3 | Very low | 234 Ų | 234 | 141 Ų | 141 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 128.5 | -178 | -164.7 | 179.3 | -165.5 | 163.5 | 3 | 109.3 | | |
| 91 | P | 39.9 | Very low | 39.1 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 143.4 | 177.2 | 28.7 | -34.2 | 0 | 0 | 0 | 111 | | |
| 92 | P | 47.3 | Very low | 38.6 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 155.5 | 171.7 | 31.8 | -34.7 | 0 | 0 | 0 | 111.6 | | |
| 93 | P | 45.5 | Very low | 38 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 157.6 | 174.4 | 32 | -35.5 | 0 | 0 | 0 | 112 | | |
| 94 | P | 35.5 | Very low | 37.3 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 133.1 | 176.7 | 29.8 | -34.3 | 0 | 0 | 0 | 111.4 | | |
| 95 | G | 34 | Very low | 36.5 | Very low | 70 Ų | 70 | 145 Ų | 145 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | | | trans | -129.2 | 143.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 96 | T | 30.2 | Very low | 35.8 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | | | trans | -64.4 | 130.5 | -174.2 | -51 | 0 | 0 | 0 | 0 | 112.7 | T98 | T96-T98 PolarHBondContact O-N 2.8Š|
| 97 | L | 30.4 | Very low | 35.4 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | | | trans | -76.8 | 105.3 | 165.9 | -72.5 | 174.2 | 0 | 0 | 0 | 109.8 | | |
| 98 | T | 29.9 | Very low | 35.6 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 77% | 0.767 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 129 | 168.2 | -55.5 | 0 | 0 | 0 | 0 | 109 | T96 | T96-T98 PolarHBondContact O-N 2.8Š|
| 99 | I | 37.4 | Very low | 35.2 | Very low | 144 Ų | 144 | 144 Ų | 144 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 125.9 | -177.8 | -59.8 | 168.7 | 0 | 0 | 0 | 109.5 | P101 | I99-P101 WeakPolarHBondContact O-CD 3.44Š|
| 100 | P | 36.1 | Very low | 35.1 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 122.4 | 169.1 | 30.1 | -31.8 | 0 | 0 | 0 | 110.6 | S102 | P100-S102 PolarHBondContact O-N 2.77Å; P100-S102 VanDerWaalsContact O-N 3.12Å |
| 101 | P | 39.4 | Very low | 35 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | | | trans | -87.6 | 78.3 | -172.9 | 34.5 | -35.3 | 0 | 0 | 0 | 112.4 | I99 | I99-P101 WeakPolarHBondContact O-CD 3.44Š|
| 102 | S | 37.9 | Very low | 35.1 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | | | trans | -159.8 | 76.5 | 171.2 | -83.1 | 0 | 0 | 0 | 0 | 114.8 | P100 | P100-S102 PolarHBondContact O-N 2.77Å; P100-S102 VanDerWaalsContact O-N 3.12Å |
| 103 | L | 30.2 | Very low | 34.6 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | | | trans | -145.7 | 90.5 | 152.4 | -80.2 | -174.2 | 0 | 0 | 0 | 109.7 | L105 | L103-L105 PolarHBondContact O-N 3.07Š|
| 104 | R | 32 | Very low | 34.2 | Very low | 249 Ų | 249 | 135.6 Ų | 135.6 | 94% | 0.94 | 81% | 0.813 | S | S | * | * | | | trans | -85.1 | 94.8 | 174.5 | -165 | 178.1 | -168.7 | -179.2 | 4.6 | 109.2 | K106 | R104-K106 PolarHBondContact O-N 2.98Š|
| 105 | L | 29.6 | Very low | 34.1 | Very low | 165 Ų | 165 | 137 Ų | 137 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | | | trans | -54.5 | 132.3 | 175.4 | -66.2 | 171.9 | 0 | 0 | 0 | 110.5 | L103 | L103-L105 PolarHBondContact O-N 3.07Š|
| 106 | K | 31.1 | Very low | 34 | Very low | 198 Ų | 198 | 139.1 Ų | 139.1 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | | | trans | -122 | 124.4 | 174.4 | -166 | 169 | -176.2 | 177.8 | 0 | 108.4 | R104 | R104-K106 PolarHBondContact O-N 2.98Š|
| 107 | P | 35.2 | Very low | 34.3 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | | | trans | -68.2 | 158 | -176.9 | 27.6 | -34.3 | 0 | 0 | 0 | 112.1 | | |
| 108 | P | 37.4 | Very low | 34.8 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | | | trans | -75 | 155.7 | -169.3 | 31.3 | -36.8 | 0 | 0 | 0 | 113.2 | | |
| 109 | S | 28.5 | Very low | 34.9 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | trans | -149.5 | 107.8 | 166.8 | -171.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 110 | S | 32.5 | Very low | 34.6 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | -156.5 | 91.6 | 171 | 58.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 111 | A | 36 | Very low | 34.9 | Very low | 90 Ų | 90 | 138 Ų | 138 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | | | trans | -128 | 151.1 | 171 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 112 | P | 41.8 | Very low | 34.5 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 158.6 | -162.3 | 27.3 | -35.5 | 0 | 0 | 0 | 114.3 | | |
| 113 | P | 36.2 | Very low | 34 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 133.4 | -177.5 | 28.7 | -34.9 | 0 | 0 | 0 | 112.4 | | |
| 114 | P | 36.4 | Very low | 34.6 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 152 | 174.3 | 34.3 | -34.3 | 0 | 0 | 0 | 112.4 | | |
| 115 | L | 33.3 | Very low | 35.8 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 153.1 | 174.4 | -69.6 | 168.1 | 0 | 0 | 0 | 112.6 | | |
| 116 | S | 33.1 | Very low | 35.7 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | trans | 17.7 | 116.8 | 157.6 | -54.6 | 0 | 0 | 0 | 0 | 120 | | |
| 117 | R | 35.5 | Very low | 35.9 | Very low | 227 Ų | 227 | 134.5 Ų | 134.5 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | | | trans | -94.2 | 151.3 | 171.6 | -169.9 | -173.1 | -170.3 | -173.4 | 6.4 | 111.8 | | |
| 118 | P | 41.8 | Very low | 36.3 | Very low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -136.3 | 143.5 | 137.5 | 35.3 | -22.7 | 0 | 0 | 0 | 115.7 | | |
| 119 | S | 32.3 | Very low | 36.2 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | 61.6 | 163.4 | 150.5 | -58.1 | 0 | 0 | 0 | 0 | 122.7 | | |
| 120 | A | 29.9 | Very low | 36.3 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | | | trans | -124.1 | 178.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 121 | P | 43.2 | Very low | 36.4 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | | -132 | 154.5 | 61.6 | 10.7 | 16 | 0 | 0 | 0 | 115.1 | | |
| 122 | V | 29.8 | Very low | 37.2 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 70% | 0.703 | 78% | 0.783 | S | S | * | * | | | | 81.3 | 137.5 | 77.2 | -170.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 123 | F | 28.8 | Very low | 36.5 | Very low | 197 Ų | 197 | 140 Ų | 140 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | trans | 98.5 | 127.5 | 169.7 | -69.7 | -65.7 | 0 | 0 | 0 | 121.3 | | |
| 124 | P | 43 | Very low | 36.4 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -116.6 | -159.7 | 164.7 | 45.7 | -34.6 | 0 | 0 | 0 | 110.6 | | |
| 125 | P | 56.1 | Low | 36 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | | | cis | -119.3 | -166.3 | -28.5 | 40.7 | -26.4 | 0 | 0 | 0 | 111.3 | | |
| 126 | L | 28.8 | Very low | 35.8 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | | | trans | -166.4 | 175 | 136.9 | -108.7 | 170.8 | 0 | 0 | 0 | 114.1 | | |
| 127 | R | 33.7 | Very low | 35.5 | Very low | 231 Ų | 231 | 134.9 Ų | 134.9 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | | | trans | -117.1 | 176.2 | -171.7 | -106.1 | 178.4 | -175 | 172.1 | 2.5 | 109.8 | | |
| 128 | P | 44.9 | Very low | 35.1 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | cis | -145.9 | -171.4 | 36.1 | 42.5 | -20.4 | 0 | 0 | 0 | 118.5 | | |
| 129 | R | 34.2 | Very low | 34.6 | Very low | 196 Ų | 196 | 132.3 Ų | 132.3 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | | | trans | -99.8 | 156.4 | -178.3 | 173.2 | -171.4 | -178.7 | -164.1 | 0.5 | 110.3 | Q131 | R129-Q131 HydrophobicContact CG-CB 4.46Å; R129-Q131 HydrophobicContact CG-CG 4.46Å |
| 130 | P | 31.9 | Very low | 34.9 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | | | | -132.5 | 151.8 | 128.9 | 36.7 | -27.7 | 0 | 0 | 0 | 114.8 | | |
| 131 | Q | 33.3 | Very low | 34.8 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | | | trans | -169.3 | 169.7 | -178.8 | -83.7 | -77.4 | -33.8 | 0 | 0 | 104.6 | R129 | R129-Q131 HydrophobicContact CG-CB 4.46Å; R129-Q131 HydrophobicContact CG-CG 4.46Å |
| 132 | P | 53.3 | Low | 34.4 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 63% | 0.63 | 77% | 0.766 | S | S | * | * | | | cis | -135.3 | -169.4 | 3.2 | 43.9 | -27.1 | 0 | 0 | 0 | 114.2 | | |
| 133 | S | 27.7 | Very low | 34.7 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | | -170.7 | 114.1 | 129.4 | -77.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 134 | A | 33.1 | Very low | 34.7 | Very low | 91 Ų | 91 | 126.9 Ų | 126.9 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | | | | 71.8 | 126.8 | 71.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 135 | T | 28.7 | Very low | 34.3 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | cis | -129.1 | 155.5 | 18.2 | 39 | 0 | 0 | 0 | 0 | 111.3 | | |
| 136 | A | 29.4 | Very low | 33.3 | Very low | 85 Ų | 85 | 136 Ų | 136 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | | | | 73.8 | 137.9 | 51.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 137 | T | 26.8 | Very low | 33.4 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | | | cis | -155.6 | 146.7 | 30 | -53 | 0 | 0 | 0 | 0 | 114.8 | | |
| 138 | E | 26.1 | Very low | 33.4 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | trans | 65.1 | 157 | 154.7 | -80.2 | 177.1 | 98.5 | 0 | 0 | 127.1 | | |
| 139 | S | 31.2 | Very low | 32.8 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | -117.9 | -134.6 | 167.2 | -48.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 140 | P | 39.7 | Very low | 33.3 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | | | cis | -138 | -163 | -1.9 | 39 | -15.8 | 0 | 0 | 0 | 114.9 | | |
| 141 | T | 26.6 | Very low | 34.1 | Very low | 131 Ų | 131 | 125 Ų | 125 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | 81.8 | 135.2 | 152.9 | -56.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 142 | A | 34.9 | Very low | 34.3 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | | | trans | -114 | 147.9 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 143 | P | 36.1 | Very low | 33.4 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | | -126.4 | 158.1 | 125.7 | 36.3 | -29.9 | 0 | 0 | 0 | 110.5 | | |
| 144 | G | 30.1 | Very low | 33.7 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | cis | 111 | 77.2 | 14.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 145 | R | 34.9 | Very low | 33.8 | Very low | 254 Ų | 254 | 135.2 Ų | 135.2 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | | | trans | -159.4 | 139.6 | 164.4 | -118.1 | 166.2 | -175.4 | -177.8 | -0.6 | 113 | | |
| 146 | H | 34 | Very low | 34.2 | Very low | 165 Ų | 165 | 133.8 Ų | 133.8 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | trans | -67.6 | 143.8 | 176.1 | -85.2 | -141.4 | 0 | 0 | 0 | 112.4 | | |
| 147 | L | 31.3 | Very low | 34.8 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | trans | -139.6 | 106.5 | 131.5 | -79.7 | -176 | 0 | 0 | 0 | 108.7 | V149 | L147-V149 PolarHBondContact O-N 3.18Š|
| 148 | S | 33.3 | Very low | 35 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | trans | -73.8 | 111.9 | 172.5 | -58.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 149 | V | 33.3 | Very low | 35.3 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 122.5 | 171.2 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | L147 | L147-V149 PolarHBondContact O-N 3.18Š|
| 150 | P | 43.6 | Very low | 35.3 | Very low | 106 Ų | 106 | 139 Ų | 139 | 69% | 0.688 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 151.4 | -177.4 | 28.6 | -35 | 0 | 0 | 0 | 111.9 | | |
| 151 | P | 48.6 | Very low | 35.1 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 139.7 | 176 | 27.7 | -34.4 | 0 | 0 | 0 | 110.7 | T153 | P151-T153 PolarHBondContact O-N 3.19Š|
| 152 | P | 38.3 | Very low | 35.4 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 118.3 | -176.8 | 26.3 | -33.9 | 0 | 0 | 0 | 111.5 | L154 | P152-L154 PolarHBondContact O-N 3.04Š|
| 153 | T | 33.4 | Very low | 35.3 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 117.3 | 174.8 | 50.9 | 0 | 0 | 0 | 0 | 110.7 | P151 | P151-T153 PolarHBondContact O-N 3.19Š|
| 154 | L | 34.7 | Very low | 35.3 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 141.9 | 177.1 | -76.8 | 175.8 | 0 | 0 | 0 | 112.1 | P152 | P152-L154 PolarHBondContact O-N 3.04Š|
| 155 | Y | 34.1 | Very low | 35.3 | Very low | 230 Ų | 230 | 150 Ų | 150 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 131.6 | -173.4 | -135.9 | -108.3 | 0 | 0 | 0 | 112.4 | | |
| 156 | S | 37 | Very low | 35 | Very low | 101 Ų | 101 | 148.9 Ų | 148.9 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 121.6 | 176.9 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | V158 | S156-V158 PolarHBondContact O-N 3.06Š|
| 157 | P | 42 | Very low | 34.9 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 121.2 | 175.4 | 29.7 | -32.4 | 0 | 0 | 0 | 111.2 | | |
| 158 | V | 31 | Very low | 34.8 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 139.1 | -177.6 | 175.1 | 0 | 0 | 0 | 0 | 112.4 | S156 A160 | S156-V158 PolarHBondContact O-N 3.06Å; V158-A160 PolarHBondContact O-N 2.75Å |
| 159 | R | 33.1 | Very low | 34.8 | Very low | 239 Ų | 239 | 149.6 Ų | 149.6 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 119.6 | 171.1 | -79.1 | 179.2 | 167.2 | 178.7 | -2.8 | 111.4 | | |
| 160 | A | 30.6 | Very low | 34.9 | Very low | 95 Ų | 95 | 149.8 Ų | 149.8 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -99 | 143.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V158 | V158-A160 PolarHBondContact O-N 2.75Š|
| 161 | V | 35.3 | Very low | 34.1 | Very low | 120 Ų | 120 | 150.3 Ų | 150.3 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 123.8 | -171.4 | 177.7 | 0 | 0 | 0 | 0 | 112.3 | L163 | V161-L163 HydrophobicContact CG1-CD2 4.45Š|
| 162 | P | 34.5 | Very low | 33.3 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | | | trans | -83 | 113.2 | 160.8 | -7.8 | 26.4 | 0 | 0 | 0 | 110.1 | | |
| 163 | L | 32.4 | Very low | 33.1 | Very low | 154 Ų | 154 | 154 Ų | 154 | 81% | 0.806 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 150.6 | 170.7 | -69.9 | 170.5 | 0 | 0 | 0 | 111 | V161 P165 | V161-L163 HydrophobicContact CG1-CD2 4.45Å; L163-P165 WeakPolarHBondContact O-CD 3.43Å |
| 164 | R | 34.8 | Very low | 32.9 | Very low | 232 Ų | 232 | 159 Ų | 159 | 88% | 0.875 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 134.6 | 175.1 | -69.1 | 174.4 | 172.1 | 154.3 | -4.1 | 111.5 | | |
| 165 | P | 30.7 | Very low | 32.6 | Very low | 124 Ų | 124 | 154.8 Ų | 154.8 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 132 | 142.6 | -8.2 | 27.3 | 0 | 0 | 0 | 109.2 | L163 | L163-P165 WeakPolarHBondContact O-CD 3.43Š|
| 166 | R | 29.6 | Very low | 32.4 | Very low | 230 Ų | 230 | 150.4 Ų | 150.4 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 146.5 | 164.2 | -99.9 | -175 | 170.2 | 173.7 | -2.8 | 109.4 | | |
| 167 | L | 30.5 | Very low | 32.3 | Very low | 172 Ų | 172 | 151.7 Ų | 151.7 | 90% | 0.901 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -65 | 129.8 | 162.7 | -71.2 | 164.3 | 0 | 0 | 0 | 109.6 | | |
| 168 | L | 30.4 | Very low | 32.4 | Very low | 170 Ų | 170 | 152 Ų | 152 | 89% | 0.89 | 83% | 0.831 | S | S | * | * | | | trans | -136.9 | 147.3 | 154.1 | -80.7 | 178.7 | 0 | 0 | 0 | 109.1 | | |
| 169 | S | 33.6 | Very low | 32.2 | Very low | 109 Ų | 109 | 156.7 Ų | 156.7 | 76% | 0.762 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 161.8 | -172.9 | -55.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 170 | P | 33.8 | Very low | 32.1 | Very low | 132 Ų | 132 | 154.4 Ų | 154.4 | 86% | 0.857 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 140.9 | 171.3 | 27.5 | -35.9 | 0 | 0 | 0 | 111.4 | | |
| 171 | S | 28 | Very low | 32.1 | Very low | 118 Ų | 118 | 154.4 Ų | 154.4 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 142.9 | 168.9 | 56.3 | 0 | 0 | 0 | 0 | 111 | | |
| 172 | S | 32.3 | Very low | 31.8 | Very low | 117 Ų | 117 | 156.9 Ų | 156.9 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | | | trans | -67.4 | 177.2 | -176.8 | -54.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 173 | H | 33.4 | Very low | 31.7 | Very low | 197 Ų | 197 | 159.3 Ų | 159.3 | 91% | 0.912 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -57.1 | 162.1 | 172.6 | -78.1 | -111.3 | 0 | 0 | 0 | 113.7 | | |
| 174 | R | 29.7 | Very low | 32.3 | Very low | 242 Ų | 242 | 157.2 Ų | 157.2 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | | | trans | -88.3 | 133.3 | -162 | -174.8 | -175.9 | -171.8 | -173.8 | 3.9 | 113.7 | | |
| 175 | A | 28.2 | Very low | 32.1 | Very low | 85 Ų | 85 | 153.7 Ų | 153.7 | 70% | 0.702 | 83% | 0.829 | S | S | * | * | | | trans | 45.2 | 132.1 | 150.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 176 | T | 28.6 | Very low | 32.1 | Very low | 137 Ų | 137 | 151.8 Ų | 151.8 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | | | trans | -54.3 | 149.6 | 160.2 | -28 | 0 | 0 | 0 | 0 | 113.8 | | |
| 177 | T | 35.5 | Very low | 32.1 | Very low | 129 Ų | 129 | 145.7 Ų | 145.7 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | | | trans | -124.1 | 152.5 | 152 | 46 | 0 | 0 | 0 | 0 | 109.9 | | |
| 178 | P | 43.6 | Very low | 32.2 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -87.8 | 163.9 | -164.9 | 34.4 | -36.8 | 0 | 0 | 0 | 115.4 | | |
| 179 | R | 27.5 | Very low | 33 | Very low | 238 Ų | 238 | 139.5 Ų | 139.5 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | | | trans | -75.2 | 118.1 | 179.9 | 170 | -172.8 | 176.5 | -117.1 | 6.3 | 113.4 | | |
| 180 | Q | 30.5 | Very low | 32.8 | Very low | 191 Ų | 191 | 139.5 Ų | 139.5 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | | | trans | -175.2 | 140.1 | 146 | -103.5 | 165.2 | 82.6 | 0 | 0 | 107.3 | | |
| 181 | S | 30 | Very low | 32.7 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | | | cis | -150.7 | 177.8 | 4.4 | 65.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 182 | L | 30.5 | Very low | 32.9 | Very low | 172 Ų | 172 | 141 Ų | 141 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | | | trans | 72.2 | 134.2 | 169 | -60.9 | 170.4 | 0 | 0 | 0 | 119.1 | | |
| 183 | Q | 31.4 | Very low | 32.7 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | -104.5 | 176.2 | 169 | -114 | -170.1 | -1.3 | 0 | 0 | 108.2 | | |
| 184 | P | 46.4 | Very low | 32.4 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | | | cis | -121.4 | -160.7 | 29.3 | 42.2 | -24.2 | 0 | 0 | 0 | 111.8 | | |
| 185 | I | 30.1 | Very low | 32.4 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | cis | -142.2 | -136.8 | 7.4 | -160.4 | 157.9 | 0 | 0 | 0 | 112.2 | | |
| 186 | A | 29.9 | Very low | 32.5 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | | | trans | -95.9 | 175.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 187 | A | 30.8 | Very low | 32.6 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | | | cis | -142.8 | -178.1 | 10.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 188 | A | 31.1 | Very low | 32.4 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | | | trans | -130.3 | 178.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 189 | P | 47.9 | Very low | 31.7 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | cis | -110.4 | -106.4 | -0.5 | 34.5 | -14.6 | 0 | 0 | 0 | 112.6 | | |
| 190 | S | 30.3 | Very low | 31.9 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | | | cis | -133 | -173.7 | -0.2 | -160.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 191 | S | 31.3 | Very low | 31.8 | Very low | 91 Ų | 91 | 119.6 Ų | 119.6 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | | | trans | -156.8 | 168.8 | -157.3 | -49.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 192 | Q | 31.1 | Very low | 31.7 | Very low | 191 Ų | 191 | 118 Ų | 118 | 89% | 0.893 | 72% | 0.722 | S | S | * | * | | | trans | 68.9 | 169.2 | 158.8 | -66 | -177.8 | 63.4 | 0 | 0 | 117.6 | | |
| 193 | A | 27.9 | Very low | 31.7 | Very low | 71 Ų | 71 | 116.5 Ų | 116.5 | 59% | 0.587 | 71% | 0.714 | S | S | * | * | | | cis | -173.3 | 177 | -41.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 194 | T | 29.1 | Very low | 31.5 | Very low | 139 Ų | 139 | 117 Ų | 117 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | | | trans | 71.5 | -169.5 | 163.5 | 69.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 195 | S | 29.8 | Very low | 30.6 | Very low | 101 Ų | 101 | 117.1 Ų | 117.1 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | | | | -162.6 | -174.3 | -111.5 | 49.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 196 | V | 29.2 | Very low | 30.8 | Very low | 129 Ų | 129 | 114.9 Ų | 114.9 | 78% | 0.782 | 72% | 0.716 | S | S | * | * | | | trans | 103.2 | 134.5 | 158.7 | -178.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 197 | S | 31 | Very low | 31.6 | Very low | 98 Ų | 98 | 115.7 Ų | 115.7 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | | | trans | 48.5 | 119.6 | 153.4 | -67 | 0 | 0 | 0 | 0 | 128 | | |
| 198 | K | 30.6 | Very low | 31.7 | Very low | 171 Ų | 171 | 118.2 Ų | 118.2 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | | | | 53 | 138.1 | 116.3 | -72.8 | -179.7 | 165.6 | -169.2 | 0 | 125.5 | | |
| 199 | Q | 29.4 | Very low | 31.8 | Very low | 151 Ų | 151 | 119.6 Ų | 119.6 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | | | trans | 69.9 | 158.5 | 144.7 | -71.2 | 177.9 | -112.1 | 0 | 0 | 117.7 | | |
| 200 | L | 31.2 | Very low | 30.9 | Very low | 89 Ų | 89 | 121.2 Ų | 121.2 | 47% | 0.466 | 71% | 0.709 | S | S | . | * | | | cis | -158.9 | 156.7 | -30 | -118.2 | 178.8 | 0 | 0 | 0 | 110.2 | | |
| 201 | T | 28.8 | Very low | 30.9 | Very low | 63 Ų | 63 | 121.1 Ų | 121.1 | 39% | 0.387 | 70% | 0.704 | S | S | . | * | | | trans | 58.9 | 166.8 | 163.4 | 48.2 | 0 | 0 | 0 | 0 | 118.7 | G951 | T201-G951 WeakPolarHBondContact CG2-O 3.39Š|
| 202 | G | 28.4 | Very low | 30.7 | Very low | 62 Ų | 62 | 122.1 Ų | 122.1 | 64% | 0.639 | 71% | 0.706 | S | S | * | * | | | cis | 172.4 | 151 | -20.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 203 | L | 30.8 | Very low | 30.6 | Very low | 142 Ų | 142 | 120.9 Ų | 120.9 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | | | trans | 70.1 | 129.3 | 153.6 | -68.7 | 176.4 | 0 | 0 | 0 | 123.2 | | |
| 204 | K | 25.8 | Very low | 30.5 | Very low | 183 Ų | 183 | 120.7 Ų | 120.7 | 80% | 0.796 | 71% | 0.709 | S | S | * | * | | | trans | 70.5 | 164 | 152 | -55.5 | 160.5 | 179.7 | 178.8 | 0 | 115.8 | | |
| 205 | S | 27.3 | Very low | 30.9 | Very low | 113 Ų | 113 | 120.3 Ų | 120.3 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | | | cis | -139.9 | 161.3 | 8.8 | -51.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 206 | S | 36.1 | Very low | 30.7 | Very low | 112 Ų | 112 | 120.6 Ų | 120.6 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | | | trans | -74.7 | -163 | 152.8 | -34.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 207 | P | 46 | Very low | 31.3 | Very low | 102 Ų | 102 | 119.8 Ų | 119.8 | 66% | 0.662 | 71% | 0.709 | S | S | * | * | | | cis | -147.7 | 179.6 | 11.5 | 46.5 | -27.1 | 0 | 0 | 0 | 118.2 | | |
| 208 | L | 33.2 | Very low | 31.1 | Very low | 154 Ų | 154 | 120.1 Ų | 120.1 | 81% | 0.806 | 71% | 0.711 | S | S | * | * | | | trans | 58.8 | 156.4 | 145.1 | -70.3 | 159.5 | 0 | 0 | 0 | 118.8 | | |
| 209 | T | 31.8 | Very low | 30.8 | Very low | 120 Ų | 120 | 120 Ų | 120 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | | | cis | -146.3 | -169.7 | 13.3 | -13.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 210 | Q | 30.6 | Very low | 30.6 | Very low | 156 Ų | 156 | 120.9 Ų | 120.9 | 73% | 0.729 | 72% | 0.717 | S | S | * | * | | | cis | -161.3 | 164.7 | 7 | -142.1 | -164.8 | 100.1 | 0 | 0 | 109.8 | | |
| 211 | T | 29.3 | Very low | 30.4 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | | | trans | 52 | 140.9 | 134.8 | -71.1 | 0 | 0 | 0 | 0 | 123.1 | | |
| 212 | V | 28.1 | Very low | 31.4 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | | | cis | -171.5 | 163.8 | -19.9 | 80.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 213 | L | 28.2 | Very low | 31.4 | Very low | 165 Ų | 165 | 128.3 Ų | 128.3 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | | | trans | 63.2 | 149.9 | 161.8 | -68.5 | 172 | 0 | 0 | 0 | 120.9 | | |
| 214 | G | 24.8 | Very low | 31.6 | Very low | 67 Ų | 67 | 126.4 Ų | 126.4 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | | | trans | -94.4 | -167.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 215 | P | 39.4 | Very low | 31.9 | Very low | 131 Ų | 131 | 122.8 Ų | 122.8 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | | | | -143.4 | -170.8 | 53.4 | 39.9 | -20.5 | 0 | 0 | 0 | 115.7 | | |
| 216 | S | 25.4 | Very low | 32.2 | Very low | 107 Ų | 107 | 122.2 Ų | 122.2 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | trans | -66.7 | 176.3 | 162 | -39.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 217 | P | 41.3 | Very low | 32.1 | Very low | 112 Ų | 112 | 124 Ų | 124 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | cis | -142.6 | -175.2 | 6 | 44.8 | -26.2 | 0 | 0 | 0 | 116.7 | | |
| 218 | S | 25.8 | Very low | 31.7 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | trans | 63.9 | 129.8 | 140.9 | -66.2 | 0 | 0 | 0 | 0 | 124.4 | | |
| 219 | Q | 24.4 | Very low | 31.5 | Very low | 168 Ų | 168 | 127.5 Ų | 127.5 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | | | trans | 85.7 | 139.5 | 145.8 | -54.9 | -132.5 | -25.7 | 0 | 0 | 122.7 | | |
| 220 | H | 25.9 | Very low | 31.2 | Very low | 170 Ų | 170 | 127.9 Ų | 127.9 | 79% | 0.787 | 74% | 0.74 | S | S | * | * | | | trans | 59.7 | 134.8 | 155.4 | -77.2 | -69.9 | 0 | 0 | 0 | 124.5 | | |
| 221 | S | 25.9 | Very low | 31.1 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | | | trans | -86.6 | -167.7 | 171 | -15.8 | 0 | 0 | 0 | 0 | 112 | | |
| 222 | P | 51 | Low | 31.2 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | | | cis | -137.3 | -152.9 | -13.8 | 28.9 | -3.4 | 0 | 0 | 0 | 113.4 | | |
| 223 | L | 28.6 | Very low | 31.7 | Very low | 159 Ų | 159 | 129.8 Ų | 129.8 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | | | trans | 95.7 | 147.4 | 156.2 | -56.5 | 179.7 | 0 | 0 | 0 | 118.8 | | |
| 224 | S | 34.5 | Very low | 31.7 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | | | cis | -172.6 | -171.2 | -22.8 | -163 | 0 | 0 | 0 | 0 | 112.4 | | |
| 225 | S | 31.6 | Very low | 32.2 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | trans | 80.8 | 142.9 | 167.9 | 74.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 226 | S | 33.3 | Very low | 31.8 | Very low | 100 Ų | 100 | 126.4 Ų | 126.4 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | | | cis | -174.7 | 175.9 | -5.8 | -95.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 227 | N | 35.7 | Very low | 32 | Very low | 149 Ų | 149 | 133 Ų | 133 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | | | cis | -173.5 | 173.4 | -16.3 | -96.9 | -10.1 | 0 | 0 | 0 | 106.8 | | |
| 228 | H | 36.8 | Very low | 31.5 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 70% | 0.704 | 76% | 0.756 | S | S | * | * | | | cis | -171 | -176.4 | -33.2 | -169.2 | -109.6 | 0 | 0 | 0 | 108.6 | | |
| 229 | F | 28.3 | Very low | 32.1 | Very low | 178 Ų | 178 | 139 Ų | 139 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | | | trans | 73.6 | 139.3 | 178.4 | -74.9 | -116.5 | 0 | 0 | 0 | 116.4 | | |
| 230 | E | 27.1 | Very low | 32.5 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 60% | 0.598 | 76% | 0.761 | S | S | * | * | | | cis | -141.5 | 173.4 | 7.1 | -118.7 | -94.7 | 82.6 | 0 | 0 | 113.1 | | |
| 231 | R | 28.5 | Very low | 32.5 | Very low | 197 Ų | 197 | 138 Ų | 138 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | -24.3 | 142.8 | -175.1 | -76.9 | 155.1 | 174.7 | 106.7 | -1.9 | 121 | | |
| 232 | S | 31.3 | Very low | 32.7 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | | | cis | 85.1 | 147.9 | 29.9 | -164.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 233 | P | 38.3 | Very low | 31.4 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | cis | -112.3 | 158.9 | 10.2 | 41 | -30.3 | 0 | 0 | 0 | 115.4 | | |
| 234 | S | 28.3 | Very low | 31.4 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | cis | 98 | 126.2 | 23 | -166.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 235 | A | 35.3 | Very low | 30.9 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | -116.1 | 122.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 236 | A | 30.3 | Very low | 30.6 | Very low | 83 Ų | 83 | 139 Ų | 139 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | | | trans | -164.4 | 120.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 237 | R | 29.9 | Very low | 30.4 | Very low | 247 Ų | 247 | 139 Ų | 139 | 93% | 0.932 | 76% | 0.76 | S | S | * | * | | | trans | -153 | 98.9 | 139.7 | -84.9 | -164.9 | 172.5 | -163.5 | -4 | 104.4 | | |
| 238 | Q | 31.3 | Very low | 30.1 | Very low | 184 Ų | 184 | 140 Ų | 140 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | | | | 76.4 | 131.8 | 51.1 | -159.5 | 171 | 6.3 | 0 | 0 | 112.8 | | |
| 239 | L | 38.2 | Very low | 29.6 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | | | trans | -88.6 | 154.7 | -164.4 | -62.5 | 156.5 | 0 | 0 | 0 | 113.1 | | |
| 240 | Q | 33.2 | Very low | 30.1 | Very low | 171 Ų | 171 | 137 Ų | 137 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | | | trans | -141.8 | 115 | 153 | -149.6 | 72.8 | 36.1 | 0 | 0 | 105.6 | | |
| 241 | M | 26 | Very low | 30.2 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | | | | 74.8 | 131.3 | 59.3 | -83.2 | -73.8 | -73.6 | 0 | 0 | 114.8 | | |
| 242 | I | 29.1 | Very low | 30.1 | Very low | 139 Ų | 139 | 135 Ų | 135 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | | | trans | 73.8 | 116.4 | 176.8 | -52.6 | 161.2 | 0 | 0 | 0 | 112.2 | | |
| 243 | A | 24.7 | Very low | 30.1 | Very low | 87 Ų | 87 | 133.5 Ų | 133.5 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | | | cis | 91.9 | 160 | 27.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 244 | L | 27.4 | Very low | 29.7 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | | | trans | 73.8 | 148 | -166.1 | -49.8 | 176.9 | 0 | 0 | 0 | 113.6 | | |
| 245 | S | 23.6 | Very low | 29.6 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | cis | 137.6 | 141 | -13.1 | 179.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 246 | S | 25.7 | Very low | 29.2 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | trans | 80.1 | 158.7 | 161 | -159.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 247 | S | 29.9 | Very low | 29.1 | Very low | 101 Ų | 101 | 143 Ų | 143 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | 80.4 | 83 | 151.9 | -54.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 248 | Q | 28.5 | Very low | 29.8 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | | -12.4 | 146 | 128.4 | -57.7 | 161.1 | 13.8 | 0 | 0 | 117.3 | | |
| 249 | Q | 26.5 | Very low | 29.7 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | trans | 68.9 | 166.7 | 147 | -92.4 | 176.4 | -114 | 0 | 0 | 118.9 | | |
| 250 | P | 38.5 | Very low | 29.1 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | | | cis | -133.1 | 162.9 | -7 | 30.9 | -10 | 0 | 0 | 0 | 117.5 | | |
| 251 | Q | 29.7 | Very low | 28.8 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | | | trans | 37.1 | 119.7 | 135.9 | -61.8 | -71.1 | -14.2 | 0 | 0 | 122.7 | | |
| 252 | A | 27.1 | Very low | 28.8 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | | | | 177.7 | 146.6 | 120.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 253 | G | 31.1 | Very low | 28.7 | Very low | 67 Ų | 67 | 131 Ų | 131 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | cis | 125.2 | 138.7 | 14.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 254 | T | 30.3 | Very low | 29.5 | Very low | 116 Ų | 116 | 133 Ų | 133 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | | | cis | -163.8 | 175.9 | 5.9 | -58.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 255 | Y | 26.3 | Very low | 29.6 | Very low | 219 Ų | 219 | 129.5 Ų | 129.5 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | | | trans | 87.8 | 140.3 | 167.4 | -55.7 | -77.8 | 0 | 0 | 0 | 117.2 | | |
| 256 | A | 25.9 | Very low | 29.6 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | | | cis | -137.1 | 165.6 | 9.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 257 | H | 27.5 | Very low | 29.6 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | trans | -113.5 | -174.3 | 175.6 | -100.8 | -73.7 | 0 | 0 | 0 | 109.7 | | |
| 258 | P | 45.1 | Very low | 30.5 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | | | cis | -120.1 | 174.6 | 5.8 | 26.5 | -1.7 | 0 | 0 | 0 | 113.2 | | |
| 259 | A | 28.9 | Very low | 30.3 | Very low | 80 Ų | 80 | 134.1 Ų | 134.1 | 66% | 0.661 | 77% | 0.767 | S | S | * | * | | | | 63.4 | 138.6 | 50.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 260 | V | 26.3 | Very low | 30.4 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 67% | 0.673 | 76% | 0.763 | S | S | * | * | | | | -170.8 | 136.7 | 60.9 | 156.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 261 | Q | 26.4 | Very low | 29.9 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | | | trans | 61.7 | 164.3 | 154.5 | -69.4 | 166.8 | 24.9 | 0 | 0 | 120.5 | | |
| 262 | S | 26.6 | Very low | 29.9 | Very low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | cis | -142 | 169.1 | 15.7 | 71.6 | 0 | 0 | 0 | 0 | 117.4 | | |
| 263 | K | 26.3 | Very low | 30.1 | Very low | 192 Ų | 192 | 132.1 Ų | 132.1 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | | | trans | -70.6 | -179.7 | 160.2 | -97.4 | -177.6 | 178.1 | -177.2 | 0 | 111.4 | | |
| 264 | P | 41.6 | Very low | 30.3 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 84% | 0.844 | 74% | 0.744 | S | S | * | * | | | cis | -129.6 | -131.4 | 15.3 | 42.3 | -22.4 | 0 | 0 | 0 | 114.8 | | |
| 265 | A | 29.1 | Very low | 30.5 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | | | trans | -136.4 | -178 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 266 | E | 25.2 | Very low | 30.8 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | | | trans | 88.6 | 134 | 166.8 | -99.3 | -170.8 | 101.1 | 0 | 0 | 121.5 | | |
| 267 | L | 25.1 | Very low | 31.1 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | | | trans | 70.8 | 163.4 | 152.6 | -61.7 | 172.1 | 0 | 0 | 0 | 119 | | |
| 268 | P | 49.2 | Very low | 31.3 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | | | | -141.8 | -166.9 | -60.5 | 40.7 | -23.2 | 0 | 0 | 0 | 115 | | |
| 269 | E | 24 | Very low | 30.6 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | | | trans | 97.8 | 145.8 | 149 | -70.7 | -88.6 | 61.7 | 0 | 0 | 123.3 | | |
| 270 | H | 28.6 | Very low | 30.7 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 70% | 0.704 | 74% | 0.736 | S | S | * | * | | | trans | 79.9 | 111.6 | 153.4 | -102.1 | -75.6 | 0 | 0 | 0 | 124.8 | | |
| 271 | S | 27.7 | Very low | 31 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | | | trans | 66 | 146.4 | 139.9 | -74 | 0 | 0 | 0 | 0 | 121.6 | | |
| 272 | S | 30.2 | Very low | 31.1 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | | | cis | -165.5 | 147.4 | -13.2 | -104.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 273 | Q | 31.4 | Very low | 31.4 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | | | trans | 22.5 | 144.4 | 132 | -62.4 | -166.4 | 21.5 | 0 | 0 | 120.1 | | |
| 274 | S | 34.8 | Very low | 31.2 | Very low | 77 Ų | 77 | 132.9 Ų | 132.9 | 54% | 0.538 | 73% | 0.726 | S | S | . | * | | | cis | -179.7 | 163.5 | 16.3 | -122.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 275 | K | 33.7 | Very low | 31.2 | Very low | 181 Ų | 181 | 132.3 Ų | 132.3 | 79% | 0.787 | 72% | 0.722 | S | S | * | * | | | trans | 69.3 | 160.3 | 141.4 | -70.3 | 163.3 | -168.1 | 168.1 | 0 | 120 | | |
| 276 | K | 33.9 | Very low | 31 | Very low | 168 Ų | 168 | 135 Ų | 135 | 73% | 0.73 | 72% | 0.723 | S | S | * | * | | | cis | 179.8 | 140.5 | -25.6 | 178 | -178 | 170.1 | -176.5 | 0 | 110 | | |
| 277 | T | 32.3 | Very low | 32.4 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 77% | 0.767 | 72% | 0.719 | S | S | * | * | | | trans | 60.2 | 164.6 | 161.6 | 48 | 0 | 0 | 0 | 0 | 118.4 | | |
| 278 | A | 31.8 | Very low | 32.5 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 65% | 0.645 | 73% | 0.725 | S | S | * | * | | | cis | -174.2 | 171.8 | -32.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 279 | N | 29.7 | Very low | 31.4 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | | | trans | 64.3 | 115.4 | 152.8 | -86.5 | -3.1 | 0 | 0 | 0 | 121.5 | | |
| 280 | K | 30.6 | Very low | 31.6 | Very low | 157 Ų | 157 | 131.6 Ų | 131.6 | 68% | 0.683 | 73% | 0.726 | S | S | * | * | | | | 78.6 | 157 | 107.5 | -148.9 | -174.7 | 169.5 | -74 | 0 | 119.7 | | |
| 281 | D | 32.5 | Very low | 31.5 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 59% | 0.594 | 73% | 0.731 | S | S | * | * | | | trans | 76.7 | 96.5 | 160.6 | -64.4 | -43.8 | 0 | 0 | 0 | 120.8 | | |
| 282 | D | 29.1 | Very low | 31.6 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | | | | 63.2 | 178.9 | 113.9 | -130.1 | -56.5 | 0 | 0 | 0 | 121.7 | | |
| 283 | L | 31.8 | Very low | 31.6 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | | | trans | 85.2 | 94.7 | 167.5 | -54 | -173.5 | 0 | 0 | 0 | 119.9 | | |
| 284 | N | 23.8 | Very low | 32.2 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | | | trans | -46 | 160.4 | 132.8 | -126.7 | -19.9 | 0 | 0 | 0 | 110.7 | | |
| 285 | P | 40.1 | Very low | 31.8 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | | | | -154.7 | 177 | 55.5 | 44.2 | -23 | 0 | 0 | 0 | 118.7 | | |
| 286 | L | 25.3 | Very low | 31.6 | Very low | 149 Ų | 149 | 126.3 Ų | 126.3 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | | | trans | -72.9 | -164.4 | 151.6 | -65.3 | 167.8 | 0 | 0 | 0 | 110.5 | | |
| 287 | P | 55.8 | Low | 31.3 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | | | | -114 | -165.6 | -61.4 | 35.2 | -20.1 | 0 | 0 | 0 | 110.1 | | |
| 288 | L | 27 | Very low | 31 | Very low | 167 Ų | 167 | 127.1 Ų | 127.1 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | | | | -175.9 | 157.4 | 117.5 | -98.8 | 172.5 | 0 | 0 | 0 | 115.3 | | |
| 289 | N | 26.3 | Very low | 30.9 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | -77.4 | 178.6 | -166.8 | -170.2 | 13.7 | 0 | 0 | 0 | 115.8 | | |
| 290 | A | 26.9 | Very low | 30.8 | Very low | 75 Ų | 75 | 130.1 Ų | 130.1 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | | | trans | 102.2 | 109.2 | 148.9 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 291 | S | 27.7 | Very low | 30.7 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | | | | 75.2 | 102.6 | 120.7 | -57.1 | 0 | 0 | 0 | 0 | 124.2 | | |
| 292 | A | 29.4 | Very low | 30.4 | Very low | 86 Ų | 86 | 131 Ų | 131 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | | 74.6 | 118.9 | 114.3 | 0 | 0 | 0 | 0 | 0 | 124.4 | | |
| 293 | L | 29.9 | Very low | 30.3 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | | | trans | 70.4 | 166.7 | 138.7 | -72.3 | 170.3 | 0 | 0 | 0 | 118.4 | | |
| 294 | P | 43.4 | Very low | 30.3 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | cis | -133.8 | 170.1 | 10.7 | 43.3 | -27.1 | 0 | 0 | 0 | 118.7 | | |
| 295 | S | 26.3 | Very low | 30.6 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | trans | 62.4 | 159.8 | 149.1 | -66.1 | 0 | 0 | 0 | 0 | 122 | | |
| 296 | A | 29.3 | Very low | 30.1 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 58% | 0.579 | 76% | 0.762 | S | S | * | * | | | cis | -172.1 | 152.9 | -32.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 297 | H | 28.6 | Very low | 30.5 | Very low | 193 Ų | 193 | 134.5 Ų | 134.5 | 89% | 0.894 | 76% | 0.755 | S | S | * | * | | | trans | 64.7 | 162.2 | 166.6 | -61.1 | -65.6 | 0 | 0 | 0 | 117.1 | | |
| 298 | S | 26.7 | Very low | 29.2 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | | | cis | -146.5 | -175.9 | 0.3 | 42.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 299 | H | 29.9 | Very low | 29.3 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | | | trans | -69.7 | 177.5 | -171.7 | -86.1 | -131.9 | 0 | 0 | 0 | 118.4 | | |
| 300 | T | 26.2 | Very low | 29.5 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 69% | 0.693 | 73% | 0.729 | S | S | * | * | | | trans | 89.8 | 107.2 | 141.1 | 25.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 301 | Q | 28.7 | Very low | 29.6 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | | | | 61.3 | 158.1 | 125.7 | -74.5 | -168.3 | 36.9 | 0 | 0 | 122.6 | | |
| 302 | T | 26.5 | Very low | 29.7 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | | | trans | 63.7 | 160.9 | 163 | 49.1 | 0 | 0 | 0 | 0 | 117.2 | | |
| 303 | L | 27.2 | Very low | 29.8 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | | | cis | -171.7 | 158 | -36.6 | -155.1 | 156.6 | 0 | 0 | 0 | 103.7 | | |
| 304 | T | 30.6 | Very low | 29.8 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | | | trans | 72.2 | 166.8 | 173.8 | 84.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 305 | K | 30.1 | Very low | 29.1 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 79% | 0.787 | 72% | 0.722 | S | S | * | * | | | cis | 177.5 | 154.7 | -33.8 | 176.5 | 176 | -176.5 | 176.3 | 0 | 107.1 | | |
| 306 | K | 31.3 | Very low | 29.2 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 73% | 0.726 | 72% | 0.716 | S | S | * | * | | | trans | 67.4 | 159.2 | 169.6 | -97.4 | -173.4 | 171.4 | -173.6 | 0 | 113.4 | | |
| 307 | R | 33 | Very low | 30 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 63% | 0.626 | 72% | 0.724 | S | S | * | * | | | cis | -161.2 | 158.3 | -14.4 | -144.9 | 179.2 | 175.1 | -155.8 | -24.4 | 109.3 | | |
| 308 | E | 28.2 | Very low | 30.1 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 52% | 0.519 | 72% | 0.721 | S | S | . | * | | | trans | 47.3 | 124.2 | 140.5 | -82.4 | 158.9 | -150.1 | 0 | 0 | 121 | | |
| 309 | Q | 30.2 | Very low | 30.4 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 76% | 0.757 | 72% | 0.718 | S | S | * | * | | | | 73 | 149.3 | 100.4 | -77 | -172.2 | -61.3 | 0 | 0 | 115.1 | | |
| 310 | K | 30.6 | Very low | 30.4 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 59% | 0.591 | 72% | 0.724 | S | S | * | * | | | cis | -174.5 | 140.9 | -1.8 | 151.7 | 179.9 | -174.1 | -60.8 | 0 | 109.5 | | |
| 311 | E | 27.8 | Very low | 30.5 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | | | trans | 58.6 | 168.8 | 165.4 | -94.9 | 143.3 | 65.8 | 0 | 0 | 117.6 | | |
| 312 | S | 29.6 | Very low | 30.6 | Very low | 89 Ų | 89 | 138.1 Ų | 138.1 | 62% | 0.622 | 73% | 0.73 | S | S | * | * | | | cis | -148.6 | -174.1 | 6.9 | 48 | 0 | 0 | 0 | 0 | 112.7 | | |
| 313 | D | 31 | Very low | 30.6 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | | | trans | 69.2 | 135.6 | 162.6 | -57.6 | -74.3 | 0 | 0 | 0 | 118.3 | | |
| 314 | D | 30.1 | Very low | 31.5 | Very low | 122 Ų | 122 | 138 Ų | 138 | 65% | 0.652 | 72% | 0.715 | S | S | * | * | | | cis | 93.5 | 137.3 | 31.2 | -160.7 | -129 | 0 | 0 | 0 | 112.3 | | |
| 315 | Q | 29.4 | Very low | 31.6 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 80% | 0.799 | 69% | 0.692 | S | S | * | * | | | cis | -143 | -169.1 | 13.2 | -161.6 | 144.4 | 89.7 | 0 | 0 | 113.3 | | |
| 316 | G | 28.3 | Very low | 31.9 | Very low | 65 Ų | 65 | 130 Ų | 130 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | | | trans | -78.7 | -159.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 317 | P | 45.7 | Very low | 32.1 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 75% | 0.753 | 68% | 0.68 | S | S | * | * | | | cis | -152.7 | 162.6 | 35 | 40.6 | -18 | 0 | 0 | 0 | 121.6 | | |
| 318 | I | 30.6 | Very low | 31.9 | Very low | 162 Ų | 162 | 129.1 Ų | 129.1 | 83% | 0.831 | 68% | 0.679 | S | S | * | * | | | trans | 59.7 | 154.7 | 134.6 | -55.9 | 164.8 | 0 | 0 | 0 | 123.4 | | |
| 319 | S | 32.5 | Very low | 32.3 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 68% | 0.684 | S | S | * | * | | | trans | 87.7 | 143.8 | 170.7 | -65.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 320 | R | 30.9 | Very low | 32.5 | Very low | 251 Ų | 251 | 131.6 Ų | 131.6 | 95% | 0.947 | 68% | 0.682 | S | S | * | * | | | cis | 72.3 | 139.3 | -1.6 | -61.6 | -177.5 | 173.5 | -176.3 | -2.3 | 119.8 | | |
| 321 | G | 28.4 | Very low | 32.6 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 69% | 0.688 | S | S | * | * | | | cis | 167.1 | 175.4 | -12.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 322 | V | 29.7 | Very low | 32.8 | Very low | 142 Ų | 142 | 127.6 Ų | 127.6 | 86% | 0.861 | 70% | 0.696 | S | S | * | * | | | trans | 80.5 | 104.4 | 151.3 | -174.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 323 | R | 26.8 | Very low | 32.8 | Very low | 195 Ų | 195 | 126.6 Ų | 126.6 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | | | | 58.8 | 170.7 | 126.2 | -90 | -170.5 | 167.4 | -122.5 | 2.7 | 122.4 | Q779 | R323-Q779 PolarHBondContact NH1-O 3.03Š|
| 324 | P | 47.6 | Very low | 33 | Very low | 67 Ų | 67 | 129.5 Ų | 129.5 | 44% | 0.435 | 71% | 0.705 | S | S | . | * | | | | -131.5 | -65.7 | -82.9 | 29.2 | -3.5 | 0 | 0 | 0 | 125.1 | S780 D781 N782 | P324-S780 WeakPolarHBondContact CD-O 3.2Å; P324-S780 VanDerWaalsContact CG-C 3.42Å; P324-S780 WeakPolarHBondContact CG-O 3.49Å; P324-D781 VanDerWaalsContact C-C 3.45Å; P324-D781 VanDerWaalsContact CD-C 3.5Å; P324-D781 WeakPolarHBondContact CD-O 3.41Å; P324-D781 VanDerWaalsContact N-O 3.08Å; P324-N782 CarbonylContact C-O 3.37Å; P324-N782 CarbonylContact O-C 3.41Å |
| 325 | G | 32.3 | Very low | 33 | Very low | 29 Ų | 29 | 129.2 Ų | 129.2 | 30% | 0.299 | 70% | 0.704 | S | S | . | * | | | trans | -135.1 | -130.4 | -155.1 | 0 | 0 | 0 | 0 | 0 | 124.9 | D781 N782 | G325-D781 CarbonylContact O-C 3.54Å; G325-D781 WeakPolarHBondContact O-CA 3.5Å; G325-N782 PolarHBondContact O-N 2.91Å |
| 326 | I | 35.6 | Very low | 33.3 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 56% | 0.564 | 70% | 0.703 | S | S | * | * | | | trans | 63.2 | 153 | -170.2 | 63.1 | 168.6 | 0 | 0 | 0 | 119.4 | D781 | I326-D781 WeakPolarHBondContact CB-OD1 3.47Å; I326-D781 WeakPolarHBondContact CD1-OD1 3.48Å; I326-D781 HydrophobicContact CG1-CB 4.4Å; I326-D781 WeakPolarHBondContact CG1-OD1 3.49Å; I326-D781 WeakPolarHBondContact CG2-OD1 3.38Å |
| 327 | R | 34.7 | Very low | 33.3 | Very low | 183 Ų | 183 | 133.2 Ų | 133.2 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | | | cis | -153.7 | -169 | -1.7 | -123 | 148.7 | 71.9 | 158 | 8.1 | 109 | | |
| 328 | E | 30 | Very low | 32.6 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 61% | 0.607 | 71% | 0.705 | S | S | * | * | | | cis | -160.1 | 149.1 | 14.7 | -154.4 | 125.7 | 175.6 | 0 | 0 | 115 | | |
| 329 | E | 35.3 | Very low | 32.5 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 62% | 0.617 | 70% | 0.698 | S | S | * | * | | | trans | 26.8 | 144.6 | 143.7 | -138.3 | -156.4 | 162.4 | 0 | 0 | 127.4 | | |
| 330 | R | 34.6 | Very low | 32.6 | Very low | 194 Ų | 194 | 133.5 Ų | 133.5 | 73% | 0.732 | 70% | 0.696 | S | S | * | * | | | | 128.2 | 92.6 | 115.4 | -157.2 | 164.6 | -113.5 | -104.3 | -12.2 | 122.6 | | |
| 331 | S | 33.9 | Very low | 32.6 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | | | | 78.2 | 137.5 | 127.6 | -61.5 | 0 | 0 | 0 | 0 | 127.6 | | |
| 332 | A | 30.9 | Very low | 33 | Very low | 109 Ų | 109 | 130 Ų | 130 | 90% | 0.901 | 68% | 0.684 | S | S | * | * | | | trans | 75.9 | 140.9 | 147.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 333 | G | 29.8 | Very low | 33.1 | Very low | 67 Ų | 67 | 132.6 Ų | 132.6 | 69% | 0.691 | 69% | 0.687 | S | S | * | * | | | cis | 155.8 | 163.1 | -14.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 334 | K | 35.5 | Very low | 33.5 | Very low | 198 Ų | 198 | 128.3 Ų | 128.3 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | | | trans | 75.8 | 153.1 | 159.8 | -63.3 | -172 | 167.1 | -159.2 | 0 | 118.7 | | |
| 335 | D | 31.3 | Very low | 32.8 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 63% | 0.626 | 70% | 0.696 | S | S | * | * | | | cis | -162.9 | 169.2 | -6.6 | -127.1 | -49.4 | 0 | 0 | 0 | 114.4 | | |
| 336 | L | 35.3 | Very low | 32.8 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | | | trans | 67.5 | 153.8 | 159 | -62.5 | 162.1 | 0 | 0 | 0 | 119.6 | | |
| 337 | Q | 28.5 | Very low | 32.8 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 72% | 0.716 | S | S | * | * | | | cis | -152.4 | 144.8 | 13 | -148.8 | 177.3 | 16.3 | 0 | 0 | 114.7 | | |
| 338 | A | 29.9 | Very low | 32.5 | Very low | 80 Ų | 80 | 137.3 Ų | 137.3 | 66% | 0.661 | 72% | 0.723 | S | S | * | * | | | trans | 44.9 | 149.1 | 145 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 339 | E | 29.3 | Very low | 32.4 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | | | cis | -163.5 | 146.4 | -11.1 | -113.5 | -172.7 | 117 | 0 | 0 | 113 | | |
| 340 | K | 34.5 | Very low | 32.2 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 70% | 0.704 | 73% | 0.734 | S | S | * | * | | | trans | 44.4 | 146.3 | 143.2 | -68 | 177.1 | -171.7 | 151 | 0 | 122.1 | | |
| 341 | N | 31.1 | Very low | 31.9 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | | | cis | -142 | 159.6 | 2.7 | -93.7 | -20.3 | 0 | 0 | 0 | 108.6 | | |
| 342 | V | 36.7 | Very low | 31.6 | Very low | 114 Ų | 114 | 139 Ų | 139 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | | | cis | 97.1 | 95.9 | 19 | -179.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 343 | Q | 31 | Very low | 31.4 | Very low | 196 Ų | 196 | 139.1 Ų | 139.1 | 92% | 0.916 | 72% | 0.718 | S | S | * | * | | | trans | -153 | 118.7 | 144.6 | -100.1 | 176.5 | 7.1 | 0 | 0 | 107.1 | | |
| 344 | T | 35 | Very low | 31.4 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 64% | 0.638 | 72% | 0.719 | S | S | * | * | | | cis | 105.3 | 135.5 | 20.6 | -65 | 0 | 0 | 0 | 0 | 111.9 | | |
| 345 | E | 32.9 | Very low | 31 | Very low | 155 Ų | 155 | 138 Ų | 138 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | | | cis | -175.3 | 164.4 | -17.1 | -97.2 | -148.3 | 74.9 | 0 | 0 | 108.3 | | |
| 346 | T | 32.5 | Very low | 30.7 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 59% | 0.589 | 71% | 0.714 | S | S | * | * | | | cis | -159 | 147.4 | -28 | 20.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 347 | I | 35.1 | Very low | 30.2 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 70% | 0.703 | 71% | 0.712 | S | S | * | * | | | trans | 21.6 | 140 | 136.3 | -61.1 | 166.4 | 0 | 0 | 0 | 121.7 | Q349 | I347-Q349 HydrophobicContact CG2-CG 4.45Š|
| 348 | K | 28.8 | Very low | 30.3 | Very low | 191 Ų | 191 | 139.9 Ų | 139.9 | 83% | 0.83 | 71% | 0.711 | S | S | * | * | | | trans | -161.8 | 136.8 | 135.8 | -105.6 | 158.7 | -173.9 | -179.8 | 0 | 109.2 | | |
| 349 | Q | 29.2 | Very low | 30.5 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 78% | 0.78 | 72% | 0.716 | S | S | * | * | | | cis | 62.1 | 138.7 | 49.6 | -71.1 | -173.7 | -22.9 | 0 | 0 | 112.6 | I347 | I347-Q349 HydrophobicContact CG2-CG 4.45Š|
| 350 | E | 29.3 | Very low | 30.6 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 68% | 0.682 | 72% | 0.72 | S | S | * | * | | | cis | -128.9 | -167.2 | 11.7 | -99.4 | -169.4 | 137 | 0 | 0 | 109.1 | | |
| 351 | K | 28.5 | Very low | 31 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 67% | 0.665 | 72% | 0.716 | S | S | * | * | | | cis | 162.4 | -175.3 | -27.8 | -170.8 | -179.1 | 151.2 | -171.7 | 0 | 107.5 | | |
| 352 | L | 28.9 | Very low | 30.9 | Very low | 125 Ų | 125 | 139 Ų | 139 | 65% | 0.654 | 71% | 0.714 | S | S | * | * | | | trans | 71.2 | 108.9 | 163.5 | -71.6 | 151.6 | 0 | 0 | 0 | 115.3 | | |
| 353 | T | 26.8 | Very low | 30.6 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | | | | 74.2 | 149.9 | 90.6 | 59.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 354 | D | 28.6 | Very low | 30.4 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | | | cis | -157.2 | 175.2 | 7.3 | -136.3 | -49.4 | 0 | 0 | 0 | 113.6 | | |
| 355 | T | 27.1 | Very low | 30.2 | Very low | 110 Ų | 110 | 144.9 Ų | 144.9 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | | | trans | 46 | 122.8 | 138.6 | -66.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 356 | E | 25.7 | Very low | 30 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 72% | 0.715 | 73% | 0.729 | S | S | * | * | | | trans | 7.2 | 138.6 | 138.1 | -86 | -176.4 | 105.7 | 0 | 0 | 124.2 | | |
| 357 | Q | 23.7 | Very low | 29.8 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | | | | 79.3 | 151.1 | 122.4 | -155.7 | 169.5 | 118.9 | 0 | 0 | 121.4 | | |
| 358 | E | 31.4 | Very low | 29.5 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | | | trans | -28.5 | 147 | 178.3 | -64.3 | -74.8 | 120.1 | 0 | 0 | 117.9 | | |
| 359 | P | 34.4 | Very low | 29.6 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | | | | -145.9 | 137.1 | 107.9 | 36.3 | -21 | 0 | 0 | 0 | 117 | | |
| 360 | E | 31.8 | Very low | 29.9 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | | | trans | -58.3 | 143.3 | 138.4 | -99.1 | -93.6 | 144.8 | 0 | 0 | 108.6 | | |
| 361 | P | 42.4 | Very low | 30.1 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 62% | 0.617 | 71% | 0.71 | S | S | * | * | | | | -157.5 | -176.6 | 82 | 43.2 | -24 | 0 | 0 | 0 | 118 | | |
| 362 | D | 28.9 | Very low | 30.6 | Very low | 127 Ų | 127 | 141.9 Ų | 141.9 | 68% | 0.679 | 71% | 0.712 | S | S | * | * | | | trans | 101.5 | 113.4 | 137.6 | -81.3 | -29.9 | 0 | 0 | 0 | 120.4 | | |
| 363 | Q | 30.1 | Very low | 31 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 89% | 0.888 | 71% | 0.706 | S | S | * | * | | | trans | -79.6 | 134.4 | 145.3 | -61.7 | 166.1 | 69 | 0 | 0 | 108 | | |
| 364 | M | 28 | Very low | 31.7 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 84% | 0.842 | 71% | 0.709 | S | S | * | * | | | trans | -143.2 | 127.1 | 150.3 | -148.1 | 162.4 | -69.5 | 0 | 0 | 112 | | |
| 365 | E | 30.6 | Very low | 31.9 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.822 | 70% | 0.697 | S | S | * | * | | | trans | -78.4 | 151.9 | 171.2 | -177.6 | -179.6 | 114.3 | 0 | 0 | 109.8 | | |
| 366 | V | 28.4 | Very low | 32.5 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | | | trans | 167.9 | 119.2 | 139.1 | 150.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 367 | K | 28 | Very low | 33.2 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 64% | 0.643 | 70% | 0.701 | S | S | * | * | | | trans | 54.9 | 141.7 | 144.8 | -61.2 | -178.3 | 94.5 | -137.7 | 0 | 124.7 | | |
| 368 | E | 29.2 | Very low | 33.7 | Very low | 138 Ų | 138 | 150.1 Ų | 150.1 | 65% | 0.645 | 71% | 0.705 | S | S | * | * | | | trans | 65.6 | 149.4 | 138 | -72.6 | 162.9 | 162.6 | 0 | 0 | 121.1 | | |
| 369 | E | 30.7 | Very low | 33.9 | Very low | 161 Ų | 161 | 149.1 Ų | 149.1 | 75% | 0.752 | 71% | 0.71 | S | S | * | * | | | cis | -159.6 | 161.7 | -32.2 | -149.4 | -173.3 | 87.4 | 0 | 0 | 110.7 | | |
| 370 | D | 35.2 | Very low | 34 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 60% | 0.604 | 71% | 0.709 | S | S | * | * | | | trans | 76.1 | 151.7 | 148.3 | -155.6 | 11.4 | 0 | 0 | 0 | 121.5 | | |
| 371 | Q | 34.2 | Very low | 34.3 | Very low | 114 Ų | 114 | 149.2 Ų | 149.2 | 53% | 0.533 | 72% | 0.716 | S | S | . | * | | | trans | 113.9 | 78.9 | 140.2 | -142.2 | 80.1 | 148.8 | 0 | 0 | 120.5 | | |
| 372 | R | 38.1 | Very low | 33.7 | Very low | 187 Ų | 187 | 153.3 Ų | 153.3 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | | | | 48.8 | 148.3 | 124.1 | -68.4 | -170.3 | -79 | -161 | -2.3 | 120.2 | | |
| 373 | D | 36.7 | Very low | 34.2 | Very low | 101 Ų | 101 | 158.1 Ų | 158.1 | 54% | 0.54 | 73% | 0.733 | S | S | . | * | | | cis | -160.1 | 165 | 8.3 | -141.7 | -46.8 | 0 | 0 | 0 | 112.6 | | |
| 374 | R | 42.3 | Very low | 34.2 | Very low | 199 Ų | 199 | 156.6 Ų | 156.6 | 75% | 0.751 | 72% | 0.723 | S | S | * | * | | | trans | 44.4 | 146.6 | 149.3 | -89.1 | 156.9 | 178.5 | 88 | -6.6 | 122.4 | | |
| 375 | E | 32.9 | Very low | 34.4 | Very low | 96 Ų | 96 | 156.2 Ų | 156.2 | 45% | 0.449 | 72% | 0.719 | S | S | . | * | | | cis | -159.4 | -147.3 | -7.7 | -148.2 | -170.4 | 176.3 | 0 | 0 | 106.5 | R377 | E375-R377 IonicContact OE1-CZ 3.31Å; E375-R377 IonicContact OE1-NE 2.71Å; E375-R377 PolarHBondContact OE1-NE 2.78Å; E375-R377 IonicContact OE1-NH2 3.02Å; E375-R377 PolarHBondContact OE1-NH2 3.22Å |
| 376 | R | 39.3 | Very low | 34.3 | Very low | 201 Ų | 201 | 154.4 Ų | 154.4 | 76% | 0.758 | 71% | 0.711 | S | S | * | * | | | cis | -170.3 | 140.2 | -7 | 150.5 | -178.9 | -55.9 | -171.7 | 6.1 | 106.5 | | |
| 377 | R | 41.5 | Very low | 34.3 | Very low | 190 Ų | 190 | 156.5 Ų | 156.5 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | | | cis | -143.1 | -144.4 | -17 | -97 | 178.9 | -172.6 | -153.9 | -2.3 | 104.8 | E375 | E375-R377 IonicContact OE1-CZ 3.31Å; E375-R377 IonicContact OE1-NE 2.71Å; E375-R377 PolarHBondContact OE1-NE 2.78Å; E375-R377 IonicContact OE1-NH2 3.02Å; E375-R377 PolarHBondContact OE1-NH2 3.22Å |
| 378 | Q | 34.3 | Very low | 34.4 | Very low | 177 Ų | 177 | 155 Ų | 155 | 83% | 0.827 | 72% | 0.716 | S | S | * | * | | | cis | -157 | 165.1 | 4.1 | -165.1 | 159.9 | -34.7 | 0 | 0 | 109.1 | | |
| 379 | T | 35.6 | Very low | 34.4 | Very low | 143 Ų | 143 | 156.7 Ų | 156.7 | 88% | 0.877 | 72% | 0.724 | S | S | * | * | | | trans | -150.8 | 165.8 | -150.3 | 52.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 380 | G | 35.7 | Very low | 34.4 | Very low | 70 Ų | 70 | 156.3 Ų | 156.3 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | | | trans | 143.2 | 152.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 381 | K | 38.4 | Very low | 34.3 | Very low | 215 Ų | 215 | 159.2 Ų | 159.2 | 94% | 0.935 | 74% | 0.737 | S | S | * | * | | | cis | -164.2 | 170.1 | -1 | -99.5 | 169 | -180 | 175.3 | 0 | 105.9 | | |
| 382 | K | 30.2 | Very low | 34 | Very low | 182 Ų | 182 | 157.4 Ų | 157.4 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | cis | -157.5 | 126.4 | 5.9 | 164.1 | -128.6 | 170.8 | -173.8 | 0 | 105.2 | | |
| 383 | R | 38.3 | Very low | 33.6 | Very low | 228 Ų | 228 | 151.8 Ų | 151.8 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | | | | 38.9 | 148.6 | 101.5 | -61.8 | -173.5 | 178.3 | -159.6 | -1.9 | 116 | | |
| 384 | K | 31 | Very low | 33.4 | Very low | 157 Ų | 157 | 154.6 Ų | 154.6 | 68% | 0.683 | 76% | 0.764 | S | S | * | * | | | cis | -144.4 | -168.3 | 27.9 | -158.2 | -149.8 | 166.2 | -175.5 | 0 | 111 | E386 | K384-E386 WeakPolarHBondContact CE-OE2 3.35Å; K384-E386 IonicContact NZ-OE1 2.74Å; K384-E386 PolarHBondContact NZ-OE1 3.33Å; K384-E386 IonicContact NZ-OE2 2.72Å; K384-E386 PolarHBondContact NZ-OE2 3.39Å |
| 385 | H | 31.7 | Very low | 33.1 | Very low | 164 Ų | 164 | 151 Ų | 151 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | trans | -139 | 146.2 | -173.2 | 169.1 | -124.8 | 0 | 0 | 0 | 107.6 | | |
| 386 | E | 27.7 | Very low | 33.8 | Very low | 138 Ų | 138 | 152.2 Ų | 152.2 | 65% | 0.645 | 78% | 0.781 | S | S | * | * | | | trans | -159.9 | -172.6 | 171.5 | -135.7 | 114.2 | -164.2 | 0 | 0 | 111.1 | K384 | K384-E386 WeakPolarHBondContact CE-OE2 3.35Å; K384-E386 IonicContact NZ-OE1 2.74Å; K384-E386 PolarHBondContact NZ-OE1 3.33Å; K384-E386 IonicContact NZ-OE2 2.72Å; K384-E386 PolarHBondContact NZ-OE2 3.39Å |
| 387 | E | 28.5 | Very low | 33.6 | Very low | 164 Ų | 164 | 150.8 Ų | 150.8 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | trans | -117.8 | 162.5 | -143.1 | -91.3 | 174.5 | 71.5 | 0 | 0 | 118 | | |
| 388 | V | 30.5 | Very low | 33.2 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | | | trans | 70.1 | 172.4 | 138.8 | 171.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 389 | E | 30.2 | Very low | 33 | Very low | 172 Ų | 172 | 145 Ų | 145 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -95.2 | 178.6 | -151.2 | -58.4 | 157.8 | 119.3 | 0 | 0 | 114.7 | | |
| 390 | D | 31.1 | Very low | 32.8 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | 102.5 | 152.8 | 138.8 | -139.2 | 46.6 | 0 | 0 | 0 | 121.5 | | |
| 391 | E | 32.8 | Very low | 32.6 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -31.4 | 155.9 | -174.4 | -66.1 | -80.5 | 94.5 | 0 | 0 | 121 | | |
| 392 | G | 28.1 | Very low | 32.1 | Very low | 76 Ų | 76 | 140.6 Ų | 140.6 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | | | trans | 141.6 | 115.8 | 141.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 393 | G | 29.5 | Very low | 32 | Very low | 69 Ų | 69 | 140.7 Ų | 140.7 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | | 96.5 | 106.5 | 125.4 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 394 | D | 31.6 | Very low | 31.7 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | | | trans | 63.5 | 107.9 | 133.5 | -61.5 | -48.1 | 0 | 0 | 0 | 123.8 | | |
| 395 | T | 35.6 | Very low | 31.5 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | | | trans | -37.6 | 159.7 | 142 | -0.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 396 | P | 49 | Very low | 31.4 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | | | | -131.1 | 169.6 | 100.2 | 37.7 | -30.8 | 0 | 0 | 0 | 115.2 | | |
| 397 | M | 34.1 | Very low | 31.4 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 84% | 0.837 | 75% | 0.753 | S | S | * | * | | | trans | -59.6 | 151.7 | -175.4 | -49.9 | 174.6 | 178 | 0 | 0 | 112.6 | | |
| 398 | D | 32.6 | Very low | 31.6 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | | | | -138.8 | 147.8 | 82.1 | -153.9 | -171.7 | 0 | 0 | 0 | 115.7 | | |
| 399 | T | 30.6 | Very low | 31.5 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 61% | 0.607 | 76% | 0.762 | S | S | * | * | | | trans | -51.9 | 175.2 | 168 | 69.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 400 | S | 32.5 | Very low | 32.2 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | | | cis | -171.9 | 169.3 | -15.3 | -107.6 | 0 | 0 | 0 | 0 | 106.1 | | |
| 401 | D | 30.7 | Very low | 32.1 | Very low | 146 Ų | 146 | 130 Ų | 130 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | | | cis | -150.6 | -167.6 | -3.9 | -138.3 | -73.6 | 0 | 0 | 0 | 110.9 | | |
| 402 | C | 27.1 | Very low | 32.7 | Very low | 94 Ų | 94 | 127.5 Ų | 127.5 | 64% | 0.635 | 75% | 0.754 | S | S | * | * | | | trans | -94.9 | 152.9 | -178.9 | -83 | 0 | 0 | 0 | 0 | 116.1 | | |
| 403 | Q | 29.2 | Very low | 32.7 | Very low | 184 Ų | 184 | 132 Ų | 132 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | | | trans | 70.5 | 176.6 | 145.8 | -71.4 | 170.1 | 16.2 | 0 | 0 | 120.5 | | |
| 404 | I | 31 | Very low | 33.6 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | | | trans | 100 | 104 | 162.2 | -53.7 | -175.6 | 0 | 0 | 0 | 117.5 | | |
| 405 | D | 27.7 | Very low | 33.5 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | | | trans | 38.9 | 134.7 | 137.6 | -73.4 | -105.6 | 0 | 0 | 0 | 126.1 | | |
| 406 | Q | 29.3 | Very low | 33.2 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | | | trans | 77.2 | 115.9 | 131.4 | -72.6 | 174.8 | 61.1 | 0 | 0 | 123 | | |
| 407 | N | 28.2 | Very low | 32.2 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | | | trans | 74.1 | 149.6 | 130.7 | -69.9 | -37.5 | 0 | 0 | 0 | 122.1 | | |
| 408 | T | 32 | Very low | 32.1 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 82% | 0.816 | 73% | 0.734 | S | S | * | * | | | trans | 95.6 | 97.5 | 154.3 | -30.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 409 | E | 29.9 | Very low | 31.8 | Very low | 180 Ų | 180 | 131.8 Ų | 131.8 | 84% | 0.841 | 73% | 0.728 | S | S | * | * | | | trans | -54.5 | 140.7 | 153 | -179.3 | 175.1 | 124.1 | 0 | 0 | 110.1 | | |
| 410 | P | 42.8 | Very low | 31.8 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | | | | -151.1 | 175.1 | 66.2 | 41.5 | -20.6 | 0 | 0 | 0 | 119.2 | | |
| 411 | A | 29.2 | Very low | 31.7 | Very low | 88 Ų | 88 | 131 Ų | 131 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | | | trans | -76.8 | 170.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 412 | P | 46.1 | Very low | 31.6 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 79% | 0.792 | 73% | 0.727 | S | S | * | * | | | cis | -146.6 | -179.9 | 47.9 | 40.5 | -18.8 | 0 | 0 | 0 | 118.8 | | |
| 413 | H | 29 | Very low | 31.6 | Very low | 169 Ų | 169 | 135 Ų | 135 | 78% | 0.782 | 73% | 0.729 | S | S | * | * | | | trans | -32.3 | 171 | 152.5 | -104.2 | -102 | 0 | 0 | 0 | 117.2 | | |
| 414 | P | 47.8 | Very low | 31.7 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | | | cis | -139.2 | -148.6 | 8.1 | 51 | -33.1 | 0 | 0 | 0 | 112 | | |
| 415 | D | 29 | Very low | 31.5 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 64% | 0.642 | 73% | 0.734 | S | S | * | * | | | cis | -164.6 | 169.1 | -24.6 | -134.3 | -52 | 0 | 0 | 0 | 112.6 | | |
| 416 | I | 30.2 | Very low | 31.8 | Very low | 141 Ų | 141 | 135 Ų | 135 | 72% | 0.723 | 74% | 0.744 | S | S | * | * | | | trans | 65.6 | 157.8 | 160.7 | -48.9 | 145.1 | 0 | 0 | 0 | 114 | | |
| 417 | V | 28.5 | Very low | 31.7 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 68% | 0.679 | 75% | 0.751 | S | S | * | * | | | cis | -151.4 | 152.5 | 25.2 | -139.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 418 | K | 30.2 | Very low | 31.6 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | | | trans | 41.3 | 155.3 | 139.6 | -74.4 | -174.6 | 169.5 | -176 | 0 | 122 | | |
| 419 | D | 27.6 | Very low | 31.3 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 66% | 0.658 | 76% | 0.757 | S | S | * | * | | | cis | -160.4 | -171.9 | 0.7 | -130.5 | -79.3 | 0 | 0 | 0 | 106.3 | | |
| 420 | S | 30.8 | Very low | 31.2 | Very low | 86 Ų | 86 | 138.5 Ų | 138.5 | 60% | 0.601 | 76% | 0.757 | S | S | * | * | | | cis | -159.6 | -177.3 | -1.6 | -149.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 421 | S | 29.1 | Very low | 30.3 | Very low | 94 Ų | 94 | 139.1 Ų | 139.1 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | | | trans | 14 | 121.1 | 139.2 | -54.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 422 | K | 29.7 | Very low | 30.8 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | | 73 | 147 | 72.5 | -78.8 | -170.3 | 168.6 | -115.6 | 0 | 115.2 | | |
| 423 | E | 26.6 | Very low | 29.7 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | | | cis | -175.5 | 142.7 | -14.9 | 178 | 177.6 | 136.8 | 0 | 0 | 109 | | |
| 424 | S | 30.3 | Very low | 29.7 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | trans | -171.1 | 152.3 | 160 | -90 | 0 | 0 | 0 | 0 | 114 | | |
| 425 | K | 27.4 | Very low | 28.7 | Very low | 197 Ų | 197 | 139.1 Ų | 139.1 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | | | trans | -142.4 | 157.5 | 172.2 | -75.5 | -178.9 | 178.8 | 172.4 | 0 | 110.2 | | |
| 426 | P | 35.3 | Very low | 28.5 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | | | | -121.8 | -178.3 | 130 | 35.9 | -30.7 | 0 | 0 | 0 | 112.4 | | |
| 427 | K | 27.1 | Very low | 28.2 | Very low | 192 Ų | 192 | 142.7 Ų | 142.7 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | trans | -144.7 | 128.6 | -167.5 | 179.7 | -169.7 | 178 | -167.7 | 0 | 110.5 | | |
| 428 | L | 26.1 | Very low | 28.2 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | | | trans | -142.1 | 170 | 166.9 | -95.1 | 171.7 | 0 | 0 | 0 | 109.8 | | |
| 429 | D | 24.8 | Very low | 27.9 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | | | trans | -115.2 | -178 | -155.5 | -139.6 | -55.8 | 0 | 0 | 0 | 114.6 | | |
| 430 | L | 26.9 | Very low | 27.7 | Very low | 160 Ų | 160 | 145 Ų | 145 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | trans | 87.3 | 156 | 175.4 | -49.2 | -178.2 | 0 | 0 | 0 | 117.3 | | |
| 431 | T | 25.3 | Very low | 27.4 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -138.2 | -179.3 | -150.1 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 432 | P | 38.4 | Very low | 27.2 | Very low | 121 Ų | 121 | 147 Ų | 147 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | | | cis | -131.9 | 158.2 | -37 | 30.2 | -13.2 | 0 | 0 | 0 | 114 | | |
| 433 | A | 24.2 | Very low | 26.9 | Very low | 91 Ų | 91 | 144.4 Ų | 144.4 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | | | trans | -155.9 | 140.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 434 | P | 28.7 | Very low | 26.7 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | | | trans | -100.2 | 123.9 | -179.7 | 35.3 | -30.7 | 0 | 0 | 0 | 113.9 | | |
| 435 | V | 26.1 | Very low | 26.5 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | | | trans | -124.1 | 151.5 | 172.3 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 436 | K | 24.6 | Very low | 26.4 | Very low | 195 Ų | 195 | 141.2 Ų | 141.2 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | | | trans | -113.6 | 119.9 | -160.9 | -56.5 | 164.7 | -175.4 | 167.8 | 0 | 112.8 | | |
| 437 | T | 25.5 | Very low | 25.9 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | | | trans | -147.8 | 120.3 | 160.7 | 36.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 438 | P | 26.6 | Very low | 25.8 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | | | trans | -99.8 | 127.6 | 166 | 33.4 | -26.6 | 0 | 0 | 0 | 111.2 | | |
| 439 | L | 24.1 | Very low | 25.7 | Very low | 181 Ų | 181 | 135.3 Ų | 135.3 | 95% | 0.948 | 79% | 0.789 | S | S | * | * | | | trans | -74.2 | 155.2 | 169.3 | -75.5 | 166.9 | 0 | 0 | 0 | 111.4 | | |
| 440 | K | 24.1 | Very low | 25.9 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | | | trans | -95.5 | 111.7 | -177 | -174.9 | -176.1 | -179.4 | -173.2 | 0 | 110 | | |
| 441 | A | 25.3 | Very low | 25.8 | Very low | 80 Ų | 80 | 136.2 Ų | 136.2 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | | | trans | -131.3 | 141.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 442 | T | 23.9 | Very low | 25.7 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | | | trans | -102.1 | 124.4 | 177.5 | -53.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 443 | V | 23.6 | Very low | 24.9 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | | | trans | -119 | 132.5 | 174.8 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | V445 | V443-V445 HydrophobicContact CG1-CG2 4.02Š|
| 444 | S | 22.8 | Very low | 25.2 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | trans | -118.9 | 129.8 | 172.7 | -169.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 445 | V | 25.2 | Very low | 25.1 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | -124.6 | 127.6 | 179.5 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | V443 | V443-V445 HydrophobicContact CG1-CG2 4.02Š|
| 446 | Q | 25.4 | Very low | 25.3 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | | | trans | -102.1 | 143.7 | 172 | -60.2 | -176.9 | 35.5 | 0 | 0 | 109 | | |
| 447 | N | 25.5 | Very low | 25.4 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 90.1 | 143.7 | -179.4 | -58.8 | -10.1 | 0 | 0 | 0 | 117.2 | | |
| 448 | P | 25.6 | Very low | 25.6 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | trans | -81.4 | 129.4 | -177.2 | 32.1 | -34.2 | 0 | 0 | 0 | 112.2 | | |
| 449 | V | 23.8 | Very low | 25.7 | Very low | 121 Ų | 121 | 134 Ų | 134 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | | | trans | -107.2 | 125.5 | 168.9 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | E451 | V449-E451 VanDerWaalsContact C-N 3.3Å; V449-E451 PolarHBondContact O-N 2.9Å |
| 450 | T | 27.6 | Very low | 25.9 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | | | trans | -92.3 | 46.7 | -174.9 | -41.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 451 | E | 24.5 | Very low | 26.3 | Very low | 170 Ų | 170 | 123 Ų | 123 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -148.7 | 156 | 178.3 | -134.4 | 170.3 | -135.2 | 0 | 0 | 112.8 | V449 | V449-E451 VanDerWaalsContact C-N 3.3Å; V449-E451 PolarHBondContact O-N 2.9Å |
| 452 | S | 23.6 | Very low | 26.5 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | | | trans | -98.4 | 98.8 | -168.2 | -68.8 | 0 | 0 | 0 | 0 | 112.6 | P454 | S452-P454 WeakPolarHBondContact O-CD 3.37Š|
| 453 | V | 23 | Very low | 26.6 | Very low | 134 Ų | 134 | 122.4 Ų | 122.4 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | | | trans | -85.6 | 119.2 | 175.9 | -176.3 | 0 | 0 | 0 | 0 | 111 | | |
| 454 | P | 29.9 | Very low | 26.9 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | | | trans | -84.6 | 123.8 | 173.5 | 32.6 | -31.4 | 0 | 0 | 0 | 111.1 | S452 | S452-P454 WeakPolarHBondContact O-CD 3.37Š|
| 455 | G | 25.6 | Very low | 27.1 | Very low | 73 Ų | 73 | 122.8 Ų | 122.8 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | | | trans | -152.8 | 113 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 456 | E | 31.3 | Very low | 27.2 | Very low | 195 Ų | 195 | 125.6 Ų | 125.6 | 91% | 0.911 | 73% | 0.733 | S | S | * | * | | | trans | -90.7 | 112.4 | 174.7 | -64.7 | -164.9 | 130.8 | 0 | 0 | 111.6 | | |
| 457 | K | 26 | Very low | 27.9 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 76% | 0.761 | 73% | 0.73 | S | S | * | * | | | trans | -165.8 | 147.6 | 154.1 | -103 | 140.6 | -171.6 | 176.7 | 0 | 111 | | |
| 458 | P | 30.6 | Very low | 28.3 | Very low | 97 Ų | 97 | 121.2 Ų | 121.2 | 63% | 0.63 | 73% | 0.727 | S | S | * | * | | | trans | -71.5 | 147.8 | 174 | -14.7 | 30.3 | 0 | 0 | 0 | 112.1 | | |
| 459 | V | 28.6 | Very low | 28.5 | Very low | 89 Ų | 89 | 120.7 Ų | 120.7 | 54% | 0.539 | 72% | 0.722 | S | S | . | * | | | trans | -123.5 | 128.9 | 175.5 | 178.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 460 | T | 28.7 | Very low | 28.9 | Very low | 90 Ų | 90 | 121.6 Ų | 121.6 | 55% | 0.552 | 73% | 0.73 | S | S | * | * | | | trans | -114 | 78.8 | -172.7 | -45.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 461 | G | 32.8 | Very low | 29.1 | Very low | 41 Ų | 41 | 117 Ų | 117 | 42% | 0.423 | 71% | 0.711 | S | S | . | * | S | Bend | trans | -179.6 | 164 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 462 | P | 27.6 | Very low | 29.4 | Very low | 108 Ų | 108 | 113 Ų | 113 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | | | trans | -74.4 | 129.4 | 177 | 30.3 | -33.5 | 0 | 0 | 0 | 111.3 | | |
| 463 | V | 27.8 | Very low | 29.8 | Very low | 101 Ų | 101 | 112.4 Ų | 112.4 | 61% | 0.612 | 69% | 0.689 | S | S | * | * | | | trans | -112.7 | 112.7 | 179.7 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | V465 | V463-V465 HydrophobicContact CG1-CG2 4.16Š|
| 464 | P | 29.2 | Very low | 30.3 | Very low | 124 Ų | 124 | 111 Ų | 111 | 81% | 0.805 | 68% | 0.683 | S | S | * | * | | | trans | -79.9 | 138.3 | 173.7 | -10 | 27.3 | 0 | 0 | 0 | 111.7 | | |
| 465 | V | 27.8 | Very low | 30.5 | Very low | 116 Ų | 116 | 109.7 Ų | 109.7 | 70% | 0.703 | 67% | 0.672 | S | S | * | * | | | trans | -139.8 | 137.4 | 176.7 | -167.5 | 0 | 0 | 0 | 0 | 111.8 | V463 | V463-V465 HydrophobicContact CG1-CG2 4.16Š|
| 466 | K | 26.6 | Very low | 31 | Very low | 179 Ų | 179 | 115 Ų | 115 | 78% | 0.778 | 67% | 0.674 | S | S | * | * | | | trans | -151.5 | 160.6 | 167.7 | -72.4 | -175.9 | 177.7 | -178.8 | 0 | 106.8 | | |
| 467 | P | 40.1 | Very low | 31.4 | Very low | 114 Ų | 114 | 108.6 Ų | 108.6 | 74% | 0.74 | 65% | 0.65 | S | S | * | * | S | Bend | cis | -110.1 | -152.2 | 3.1 | 46.3 | -34.9 | 0 | 0 | 0 | 110.2 | | |
| 468 | P | 34.2 | Very low | 31.7 | Very low | 109 Ų | 109 | 105 Ų | 105 | 71% | 0.708 | 64% | 0.639 | S | S | * | * | | | trans | -85.9 | 154 | -162.4 | 35.8 | -36.9 | 0 | 0 | 0 | 115.4 | | |
| 469 | V | 29 | Very low | 31.8 | Very low | 109 Ų | 109 | 102 Ų | 102 | 66% | 0.661 | 62% | 0.618 | S | S | * | * | | | trans | -134.1 | 126.7 | 165.8 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | G471 | V469-G471 PolarHBondContact O-N 2.95Š|
| 470 | P | 32.2 | Very low | 32.2 | Very low | 139 Ų | 139 | 102.4 Ų | 102.4 | 90% | 0.903 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -78.4 | 86.2 | 174.3 | 31.6 | -33.1 | 0 | 0 | 0 | 110.4 | | |
| 471 | G | 32.6 | Very low | 32.4 | Very low | 48 Ų | 48 | 99.4 Ų | 99.4 | 50% | 0.495 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -172.3 | 164.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V469 | V469-G471 PolarHBondContact O-N 2.95Š|
| 472 | S | 30.8 | Very low | 32.4 | Very low | 87 Ų | 87 | 101.4 Ų | 101.4 | 61% | 0.608 | 61% | 0.613 | S | S | * | * | | | trans | -72.2 | 125.3 | 174.1 | 50.7 | 0 | 0 | 0 | 0 | 111 | P474 | S472-P474 WeakPolarHBondContact O-CD 3.32Š|
| 473 | L | 30.7 | Very low | 32.6 | Very low | 108 Ų | 108 | 99.4 Ų | 99.4 | 57% | 0.565 | 60% | 0.597 | S | S | * | * | | | trans | -99.6 | 101.9 | -177.5 | -65.9 | 173.3 | 0 | 0 | 0 | 112.3 | V475 | L473-V475 PolarHBondContact O-N 2.98Š|
| 474 | P | 35 | Very low | 32.9 | Very low | 104 Ų | 104 | 98.6 Ų | 98.6 | 68% | 0.675 | 59% | 0.594 | S | S | * | * | | | trans | -84.2 | 83.7 | 176.6 | 34.2 | -35.9 | 0 | 0 | 0 | 111.8 | S472 K476 | S472-P474 WeakPolarHBondContact O-CD 3.32Å; P474-K476 PolarHBondContact O-N 2.77Å |
| 475 | V | 32.8 | Very low | 33 | Very low | 98 Ų | 98 | 96.3 Ų | 96.3 | 59% | 0.594 | 58% | 0.577 | S | S | * | * | | | trans | -68.5 | 121.7 | 179.4 | -173.1 | 0 | 0 | 0 | 0 | 111.4 | L473 | L473-V475 PolarHBondContact O-N 2.98Š|
| 476 | K | 36.5 | Very low | 33.1 | Very low | 183 Ų | 183 | 99.3 Ų | 99.3 | 80% | 0.796 | 58% | 0.58 | S | S | * | * | | | trans | -133.9 | 97.9 | 166.6 | -65.2 | 178.6 | -178.6 | 177.2 | 0 | 107.8 | P474 | P474-K476 PolarHBondContact O-N 2.77Š|
| 477 | P | 40.6 | Very low | 33.6 | Very low | 61 Ų | 61 | 93.2 Ų | 93.2 | 40% | 0.396 | 56% | 0.558 | S | S | . | * | S | Bend | | -137.5 | -178.8 | 98.2 | 38.3 | -27 | 0 | 0 | 0 | 113 | V479 | P477-V479 HydrophobicContact CG-CG2 4.42Š|
| 478 | L | 31.2 | Very low | 33.4 | Very low | 101 Ų | 101 | 92.2 Ų | 92.2 | 53% | 0.529 | 55% | 0.552 | S | S | . | * | | | trans | -70.8 | 130 | 168.8 | -179.4 | 67.1 | 0 | 0 | 0 | 109.7 | P498 | L478-P498 HydrophobicContact CD1-CG 3.94Å; L478-P498 WeakPolarHBondContact CD1-O 3.31Å |
| 479 | V | 33 | Very low | 33.5 | Very low | 33 Ų | 33 | 89.5 Ų | 89.5 | 20% | 0.2 | 53% | 0.533 | C | S | . | . | | | trans | -127.9 | 119.4 | -179.7 | -178.4 | 0 | 0 | 0 | 0 | 111 | P477 L483 | P477-V479 HydrophobicContact CG-CG2 4.42Å; V479-L483 HydrophobicContact CB-CD1 4.19Å; V479-L483 HydrophobicContact CG1-CD1 3.98Å; V479-L483 HydrophobicContact CG1-CD2 4.2Å; V479-L483 HydrophobicContact CG1-CG 4.02Å; V479-L483 HydrophobicContact CG2-CD1 4.31Å |
| 480 | T | 36.6 | Very low | 33.8 | Very low | 98 Ų | 98 | 90.8 Ų | 90.8 | 60% | 0.601 | 54% | 0.541 | S | S | * | . | | | trans | -103.1 | 84.8 | 170.2 | 20 | 0 | 0 | 0 | 0 | 109.6 | | |
| 481 | G | 33.8 | Very low | 33.9 | Very low | 27 Ų | 27 | 85.2 Ų | 85.2 | 28% | 0.278 | 51% | 0.509 | S | S | . | . | S | Bend | trans | 166.6 | 161.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L483 | G481-L483 PolarHBondContact O-N 2.97Š|
| 482 | P | 32.8 | Very low | 34 | Very low | 82 Ų | 82 | 86.4 Ų | 86.4 | 53% | 0.532 | 51% | 0.508 | S | S | . | . | | | trans | -70.3 | 127.2 | 179.5 | 28.3 | -33.9 | 0 | 0 | 0 | 111.8 | P484 | P482-P484 WeakPolarHBondContact O-CD 3.35Š|
| 483 | L | 31.2 | Very low | 34.2 | Very low | 67 Ų | 67 | 84.8 Ų | 84.8 | 35% | 0.351 | 49% | 0.494 | S | S | . | . | | | trans | -106.9 | 102.8 | 178.6 | -75.1 | 172.4 | 0 | 0 | 0 | 111.6 | V479 G481 V485 | V479-L483 HydrophobicContact CB-CD1 4.19Å; V479-L483 HydrophobicContact CG1-CD1 3.98Å; V479-L483 HydrophobicContact CG1-CD2 4.2Å; V479-L483 HydrophobicContact CG1-CG 4.02Å; V479-L483 HydrophobicContact CG2-CD1 4.31Å; G481-L483 PolarHBondContact O-N 2.97Å; L483-V485 PolarHBondContact O-N 2.99Å |
| 484 | P | 34 | Very low | 34.6 | Very low | 84 Ų | 84 | 82.5 Ų | 82.5 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | | | trans | -85.3 | 90.5 | 179.1 | 33 | -34.3 | 0 | 0 | 0 | 112.3 | P482 K486 | P482-P484 WeakPolarHBondContact O-CD 3.35Å; P484-K486 PolarHBondContact O-N 3.06Å |
| 485 | V | 31.6 | Very low | 34.7 | Very low | 75 Ų | 75 | 81 Ų | 81 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | | | trans | -75.8 | 121 | 176.9 | -176.9 | 0 | 0 | 0 | 0 | 111 | L483 | L483-V485 PolarHBondContact O-N 2.99Š|
| 486 | K | 29.7 | Very low | 34.8 | Very low | 179 Ų | 179 | 84 Ų | 84 | 78% | 0.778 | 48% | 0.48 | S | S | * | . | | | trans | -116.8 | 32.3 | -175.5 | -68.7 | -173.6 | 176.7 | 179.6 | 0 | 114.3 | P484 | P484-K486 PolarHBondContact O-N 3.06Š|
| 487 | V | 37.6 | Very low | 35.1 | Very low | 52 Ų | 52 | 76.4 Ų | 76.4 | 32% | 0.315 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -135.8 | 132.3 | -179.1 | -168.4 | 0 | 0 | 0 | 0 | 110.1 | P507 | V487-P507 VanDerWaalsContact O-CG 3.3Å; V487-P507 WeakPolarHBondContact O-CG 3.37Å |
| 488 | P | 35.9 | Very low | 35 | Very low | 93 Ų | 93 | 76.9 Ų | 76.9 | 60% | 0.604 | 45% | 0.453 | S | S | * | . | | | trans | -68.8 | 146.9 | 173 | 30 | -35.1 | 0 | 0 | 0 | 111.2 | P507 | P488-P507 HydrophobicContact CB-CB 4.23Š|
| 489 | V | 36 | Very low | 35.2 | Very low | 52 Ų | 52 | 74.1 Ų | 74.1 | 32% | 0.315 | 44% | 0.44 | S | S | . | . | B | Isolated β-bridge | trans | -129.2 | 119 | -176.5 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | V493 | V489-V493 HydrophobicContact CG1-CG2 3.79Å |
| 490 | T | 36.1 | Very low | 35.5 | Very low | 135 Ų | 135 | 77.1 Ų | 77.1 | 83% | 0.828 | 46% | 0.458 | S | S | * | . | | | trans | -101.9 | 82.6 | 173.2 | 20.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 491 | G | 34 | Very low | 35.4 | Very low | 22 Ų | 22 | 73.6 Ų | 73.6 | 23% | 0.227 | 44% | 0.441 | C | S | . | . | S | Bend | trans | 168.8 | 166.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 492 | P | 33.6 | Very low | 35.3 | Very low | 74 Ų | 74 | 76 Ų | 76 | 48% | 0.481 | 45% | 0.452 | S | S | . | . | | | trans | -70.3 | 130 | 175.6 | 29.1 | -33.6 | 0 | 0 | 0 | 111 | P512 | P492-P512 HydrophobicContact CB-CG 4.49Š|
| 493 | V | 36.3 | Very low | 35.3 | Very low | 52 Ų | 52 | 74.2 Ų | 74.2 | 32% | 0.315 | 44% | 0.439 | S | S | . | . | | | trans | -112.6 | 105 | -177.8 | -177.3 | 0 | 0 | 0 | 0 | 110.4 | V489 V495 | V489-V493 HydrophobicContact CG1-CG2 3.79Å; V493-V495 HydrophobicContact CG1-CG2 4.4Å |
| 494 | P | 37.3 | Very low | 35.5 | Very low | 61 Ų | 61 | 73.9 Ų | 73.9 | 40% | 0.396 | 44% | 0.441 | S | S | . | . | | | trans | -95.1 | 100.6 | 178.5 | 9.4 | 10.7 | 0 | 0 | 0 | 111 | | |
| 495 | V | 37.4 | Very low | 35.5 | Very low | 71 Ų | 71 | 72.3 Ų | 72.3 | 43% | 0.43 | 43% | 0.43 | S | S | . | . | | | trans | -75.5 | 135.8 | 174.4 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | V493 | V493-V495 HydrophobicContact CG1-CG2 4.4Š|
| 496 | K | 36.1 | Very low | 35.5 | Very low | 161 Ų | 161 | 76.8 Ų | 76.8 | 70% | 0.7 | 44% | 0.443 | S | S | * | . | | | trans | -134.2 | -11.2 | -174 | -82.7 | -168.5 | 172.9 | -177.1 | 0 | 119.6 | | |
| 497 | P | 42.8 | Very low | 36.1 | Very low | 25 Ų | 25 | 69.2 Ų | 69.2 | 16% | 0.162 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -90.8 | 152.2 | 164.2 | 34.2 | -30.7 | 0 | 0 | 0 | 111.4 | | |
| 498 | P | 38.1 | Very low | 36.2 | Very low | 71 Ų | 71 | 70.6 Ų | 70.6 | 46% | 0.461 | 42% | 0.422 | S | S | . | . | | | trans | -67.7 | 145.6 | 166.1 | 30.8 | -34 | 0 | 0 | 0 | 110.1 | L478 | L478-P498 HydrophobicContact CD1-CG 3.94Å; L478-P498 WeakPolarHBondContact CD1-O 3.31Å |
| 499 | V | 36.1 | Very low | 36.3 | Very low | 42 Ų | 42 | 67.9 Ų | 67.9 | 26% | 0.255 | 40% | 0.404 | S | S | . | . | | | trans | -122.1 | 129.7 | -179.1 | -177.9 | 0 | 0 | 0 | 0 | 110 | V503 | V499-V503 HydrophobicContact CG1-CG2 3.8Š|
| 500 | T | 38.1 | Very low | 36.4 | Very low | 97 Ų | 97 | 69.7 Ų | 69.7 | 60% | 0.595 | 42% | 0.415 | S | S | * | . | | | trans | -120.7 | 90.4 | 176.7 | -48.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 501 | G | 34.4 | Very low | 36.4 | Very low | 23 Ų | 23 | 64 Ų | 64 | 24% | 0.237 | 38% | 0.383 | C | S | . | . | S | Bend | trans | 153.1 | 162.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 502 | P | 33.2 | Very low | 36.4 | Very low | 77 Ų | 77 | 66.2 Ų | 66.2 | 50% | 0.5 | 39% | 0.394 | S | S | . | . | | | trans | -72.5 | 134.2 | 178 | 29.9 | -34.2 | 0 | 0 | 0 | 111.4 | | |
| 503 | V | 32.5 | Very low | 36.6 | Very low | 46 Ų | 46 | 64.7 Ų | 64.7 | 28% | 0.279 | 38% | 0.383 | S | S | . | . | | | trans | -117.7 | 102.7 | -179.9 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | V499 V505 | V499-V503 HydrophobicContact CG1-CG2 3.8Å; V503-V505 HydrophobicContact CG1-CG2 4.16Å; V503-V505 PolarHBondContact O-N 3.06Å |
| 504 | P | 35 | Very low | 36.7 | Very low | 60 Ų | 60 | 64.9 Ų | 64.9 | 39% | 0.39 | 39% | 0.386 | S | S | . | . | | | trans | -86 | 103.9 | 178.4 | -3.6 | 22.6 | 0 | 0 | 0 | 111 | | |
| 505 | V | 34.1 | Very low | 36.7 | Very low | 50 Ų | 50 | 64.1 Ų | 64.1 | 30% | 0.303 | 38% | 0.379 | S | S | . | . | | | trans | -92.9 | 133.7 | 170.9 | -171.9 | 0 | 0 | 0 | 0 | 109.2 | V503 | V503-V505 HydrophobicContact CG1-CG2 4.16Å; V503-V505 PolarHBondContact O-N 3.06Å |
| 506 | K | 31.1 | Very low | 36.5 | Very low | 169 Ų | 169 | 68 Ų | 68 | 74% | 0.735 | 39% | 0.39 | S | S | * | . | | | trans | -122.8 | -20.9 | -174.6 | -73.5 | -165 | 174.4 | -172.3 | 0 | 118.5 | T527 | K506-T527 WeakPolarHBondContact O-CG2 3.49Š|
| 507 | P | 41.6 | Very low | 36.5 | Very low | 21 Ų | 21 | 61.4 Ų | 61.4 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -89.9 | 154.7 | 171.4 | 32.1 | -28.8 | 0 | 0 | 0 | 112.1 | V487 P488 | V487-P507 VanDerWaalsContact O-CG 3.3Å; V487-P507 WeakPolarHBondContact O-CG 3.37Å; P488-P507 HydrophobicContact CB-CB 4.23Å |
| 508 | P | 40.2 | Very low | 36.1 | Very low | 80 Ų | 80 | 64.2 Ų | 64.2 | 52% | 0.519 | 38% | 0.382 | S | S | . | . | | | trans | -68.5 | 154.8 | 175 | 30.3 | -35.6 | 0 | 0 | 0 | 112 | | |
| 509 | V | 38.5 | Very low | 35.9 | Very low | 36 Ų | 36 | 63 Ų | 63 | 22% | 0.218 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130.6 | -179.6 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | V513 | V509-V513 HydrophobicContact CG1-CG2 4.04Å |
| 510 | T | 38.2 | Very low | 35.8 | Very low | 90 Ų | 90 | 68.6 Ų | 68.6 | 55% | 0.552 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 95.5 | 178.4 | -51 | 0 | 0 | 0 | 0 | 109.3 | | |
| 511 | G | 34.8 | Very low | 35.6 | Very low | 15 Ų | 15 | 66.3 Ų | 66.3 | 16% | 0.155 | 39% | 0.389 | C | S | . | . | S | Bend | trans | 158.8 | 166.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 512 | P | 35 | Very low | 35.2 | Very low | 70 Ų | 70 | 70.1 Ų | 70.1 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | | | trans | -74 | 131.9 | 176.9 | 30 | -33.5 | 0 | 0 | 0 | 111.4 | P492 P532 | P492-P512 HydrophobicContact CB-CG 4.49Å; P512-P532 HydrophobicContact CB-CG 4.31Å |
| 513 | V | 36.9 | Very low | 35.1 | Very low | 42 Ų | 42 | 70.8 Ų | 70.8 | 26% | 0.255 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 106.4 | -177.6 | -175.3 | 0 | 0 | 0 | 0 | 110.7 | V509 V515 | V509-V513 HydrophobicContact CG1-CG2 4.04Å; V513-V515 HydrophobicContact CG1-CG2 4.24Å |
| 514 | P | 38.3 | Very low | 34.9 | Very low | 56 Ų | 56 | 71.7 Ų | 71.7 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 113.7 | 176.9 | 34.2 | -28.5 | 0 | 0 | 0 | 112.1 | | |
| 515 | V | 37.8 | Very low | 34.6 | Very low | 44 Ų | 44 | 71.1 Ų | 71.1 | 27% | 0.267 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130 | 177.9 | -176 | 0 | 0 | 0 | 0 | 110.8 | V513 S534 | V513-V515 HydrophobicContact CG1-CG2 4.24Å; V515-S534 PolarHBondContact N-O 2.87Å |
| 516 | K | 32.8 | Very low | 34.4 | Very low | 152 Ų | 152 | 77.5 Ų | 77.5 | 66% | 0.661 | 43% | 0.434 | S | S | * | . | | | trans | -137.6 | 31.2 | -171.4 | -64.9 | -165.1 | 172.9 | -167 | 0 | 114.8 | | |
| 517 | T | 37.2 | Very low | 34.5 | Very low | 24 Ų | 24 | 71.2 Ų | 71.2 | 15% | 0.147 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -138.9 | 129.1 | -177.6 | 48.9 | 0 | 0 | 0 | 0 | 110.7 | T537 | T517-T537 WeakPolarHBondContact O-CG2 3.5Š|
| 518 | P | 34.7 | Very low | 34 | Very low | 84 Ų | 84 | 74.9 Ų | 74.9 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | | | trans | -62.7 | 146 | 178.9 | 28 | -35 | 0 | 0 | 0 | 111.5 | P538 | P518-P538 HydrophobicContact CB-CG 4.45Š|
| 519 | V | 34.3 | Very low | 33.7 | Very low | 44 Ų | 44 | 73 Ų | 73 | 27% | 0.267 | 41% | 0.414 | S | S | . | . | B | Isolated β-bridge | trans | -123.4 | 133 | -175.9 | -178.7 | 0 | 0 | 0 | 0 | 110 | V523 | V519-V523 HydrophobicContact CG1-CG2 4.1Å |
| 520 | K | 33.7 | Very low | 33.4 | Very low | 161 Ų | 161 | 74.7 Ų | 74.7 | 70% | 0.7 | 43% | 0.425 | S | S | * | . | | | trans | -118.1 | 105.1 | 165.5 | -77.8 | -171.1 | 173.6 | -173.7 | 0 | 108.7 | | |
| 521 | G | 33.3 | Very low | 33.1 | Very low | 48 Ų | 48 | 71.2 Ų | 71.2 | 50% | 0.495 | 41% | 0.407 | S | S | . | . | S | Bend | trans | 151.2 | 165.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V523 | G521-V523 PolarHBondContact O-N 2.85Š|
| 522 | L | 26.1 | Very low | 33 | Very low | 104 Ų | 104 | 74 Ų | 74 | 55% | 0.545 | 42% | 0.422 | S | S | . | . | | | trans | -74.8 | 115.4 | 178.9 | -167.4 | 81.8 | 0 | 0 | 0 | 110.7 | | |
| 523 | V | 30.5 | Very low | 33.1 | Very low | 91 Ų | 91 | 72.8 Ų | 72.8 | 55% | 0.552 | 41% | 0.413 | S | S | * | . | | | trans | -98.7 | 121.7 | 173.3 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | V519 G521 T525 | V519-V523 HydrophobicContact CG1-CG2 4.1Å; G521-V523 PolarHBondContact O-N 2.85Å; V523-T525 HydrophobicContact CG1-CG2 4.41Å |
| 524 | S | 28.4 | Very low | 32.8 | Very low | 64 Ų | 64 | 73.7 Ų | 73.7 | 45% | 0.448 | 42% | 0.422 | S | S | . | . | | | trans | -128.3 | 105.1 | 178.8 | -165.7 | 0 | 0 | 0 | 0 | 111 | | |
| 525 | T | 29.3 | Very low | 32.6 | Very low | 48 Ų | 48 | 73 Ų | 73 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | | | trans | -110.2 | 129.8 | 176.7 | 49.9 | 0 | 0 | 0 | 0 | 109.4 | V523 T547 | V523-T525 HydrophobicContact CG1-CG2 4.41Å; T525-T547 WeakPolarHBondContact O-CG2 3.19Å |
| 526 | K | 30.1 | Very low | 32.3 | Very low | 185 Ų | 185 | 76.2 Ų | 76.2 | 80% | 0.804 | 43% | 0.428 | S | S | * | . | | | trans | -121.1 | 43.3 | -177.2 | -66.4 | -169.6 | 175.9 | -173.3 | 0 | 112.8 | | |
| 527 | T | 33.4 | Very low | 32.5 | Very low | 36 Ų | 36 | 69.5 Ų | 69.5 | 22% | 0.221 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -143.6 | 146.6 | -174.3 | 40.6 | 0 | 0 | 0 | 0 | 112.9 | K506 | K506-T527 WeakPolarHBondContact O-CG2 3.49Š|
| 528 | L | 30.8 | Very low | 32.1 | Very low | 99 Ų | 99 | 72.1 Ų | 72.1 | 52% | 0.518 | 42% | 0.418 | S | S | . | . | | | trans | -63.5 | 140.7 | 175.8 | -178.7 | 66 | 0 | 0 | 0 | 111.7 | | |
| 529 | V | 33.1 | Very low | 32 | Very low | 39 Ų | 39 | 71.2 Ų | 71.2 | 24% | 0.236 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.1 | 175.2 | 179.9 | 0 | 0 | 0 | 0 | 110 | V533 | V529-V533 HydrophobicContact CG1-CG2 4.05Å |
| 530 | T | 32.9 | Very low | 31.7 | Very low | 73 Ų | 73 | 74.4 Ų | 74.4 | 45% | 0.448 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 96.5 | -179.6 | -50.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 531 | G | 32.7 | Very low | 31.5 | Very low | 17 Ų | 17 | 69.9 Ų | 69.9 | 18% | 0.175 | 43% | 0.429 | C | S | . | . | S | Bend | trans | 158 | 167 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 532 | P | 32.6 | Very low | 31 | Very low | 73 Ų | 73 | 74.5 Ų | 74.5 | 47% | 0.474 | 44% | 0.442 | S | S | . | . | | | trans | -73 | 129.8 | 175.1 | 30.4 | -33.3 | 0 | 0 | 0 | 111.1 | P512 | P512-P532 HydrophobicContact CB-CG 4.31Š|
| 533 | V | 35.3 | Very low | 31.2 | Very low | 44 Ų | 44 | 73.3 Ų | 73.3 | 27% | 0.267 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 142.8 | -179.3 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | V529 V535 | V529-V533 HydrophobicContact CG1-CG2 4.05Å; V533-V535 HydrophobicContact CG1-CG2 4.22Å |
| 534 | S | 31.5 | Very low | 30.9 | Very low | 62 Ų | 62 | 74.1 Ų | 74.1 | 43% | 0.434 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 120.7 | 177.1 | -69 | 0 | 0 | 0 | 0 | 111.7 | V515 | V515-S534 PolarHBondContact N-O 2.87Å |
| 535 | V | 34.9 | Very low | 31 | Very low | 41 Ų | 41 | 74.7 Ų | 74.7 | 25% | 0.248 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 130.1 | -177.4 | -176.5 | 0 | 0 | 0 | 0 | 109.5 | V533 T537 Q556 | V533-V535 HydrophobicContact CG1-CG2 4.22Å; V535-T537 WeakPolarHBondContact CG1-OG1 3.21Å; V535-Q556 PolarHBondContact O-N 3.34Å |
| 536 | Q | 31.7 | Very low | 31 | Very low | 111 Ų | 111 | 79.3 Ų | 79.3 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 75.9 | -179.8 | -70 | -179.9 | -16.6 | 0 | 0 | 109.8 | | |
| 537 | T | 35.3 | Very low | 31.1 | Very low | 11 Ų | 11 | 72 Ų | 72 | 7% | 0.067 | 45% | 0.446 | C | S | . | . | | | trans | -152.1 | 135.1 | -173.3 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | T517 V535 T557 | T517-T537 WeakPolarHBondContact O-CG2 3.5Å; V535-T537 WeakPolarHBondContact CG1-OG1 3.21Å; T537-T557 WeakPolarHBondContact O-CG2 3.33Å |
| 538 | P | 30.6 | Very low | 31 | Very low | 79 Ų | 79 | 74.5 Ų | 74.5 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | | | trans | -68.5 | 146.5 | 163.4 | 31.2 | -33.7 | 0 | 0 | 0 | 110.1 | P518 | P518-P538 HydrophobicContact CB-CG 4.45Š|
| 539 | V | 30.6 | Very low | 30.9 | Very low | 65 Ų | 65 | 71.3 Ų | 71.3 | 39% | 0.394 | 45% | 0.447 | S | S | . | . | B | Isolated β-bridge | trans | -130.6 | 145.5 | 179.9 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | T557 | V539-T557 HydrophobicContact CG2-CG2 4.32Å |
| 540 | T | 29.3 | Very low | 30.8 | Very low | 112 Ų | 112 | 77.6 Ų | 77.6 | 69% | 0.687 | 47% | 0.471 | S | S | * | . | | | trans | -142 | 107.6 | 176.2 | -27 | 0 | 0 | 0 | 0 | 109.1 | | |
| 541 | G | 28.8 | Very low | 30.7 | Very low | 65 Ų | 65 | 75.3 Ų | 75.3 | 67% | 0.67 | 46% | 0.463 | S | S | * | . | S | Bend | trans | 146 | 161.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 542 | L | 23.7 | Very low | 30.6 | Very low | 145 Ų | 145 | 78.8 Ų | 78.8 | 76% | 0.759 | 48% | 0.482 | S | S | * | . | | | trans | -70.2 | 136.2 | 178.3 | -63.7 | 171.4 | 0 | 0 | 0 | 111.3 | | |
| 543 | A | 28.9 | Very low | 30.6 | Very low | 79 Ų | 79 | 76.8 Ų | 76.8 | 65% | 0.653 | 47% | 0.471 | S | S | * | . | | | trans | -141.7 | 75.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N545 | A543-N545 PolarHBondContact O-N 3Å; A543-N545 VanDerWaalsContact O-N 3.12Å |
| 544 | P | 25.8 | Very low | 30.4 | Very low | 108 Ų | 108 | 77.4 Ų | 77.4 | 70% | 0.701 | 48% | 0.478 | S | S | * | . | | | trans | -71.5 | 103.6 | 172 | 29.9 | -33 | 0 | 0 | 0 | 110.1 | | |
| 545 | N | 29.1 | Very low | 30.5 | Very low | 77 Ų | 77 | 77.4 Ų | 77.4 | 41% | 0.412 | 48% | 0.475 | S | S | . | . | | | trans | -118.4 | 120.4 | -177.4 | -164.3 | 14.4 | 0 | 0 | 0 | 112.1 | A543 S564 | A543-N545 PolarHBondContact O-N 3Å; A543-N545 VanDerWaalsContact O-N 3.12Å; N545-S564 WeakPolarHBondContact O-CB 3.42Å |
| 546 | N | 29.4 | Very low | 30.2 | Very low | 144 Ų | 144 | 79.8 Ų | 79.8 | 77% | 0.77 | 48% | 0.484 | S | S | * | . | | | trans | -123.1 | 74.7 | -176.7 | -75.2 | -22.6 | 0 | 0 | 0 | 110 | | |
| 547 | T | 31.9 | Very low | 30.2 | Very low | 32 Ų | 32 | 75.7 Ų | 75.7 | 20% | 0.196 | 47% | 0.466 | C | S | . | . | | | trans | -133.4 | 121.1 | 179.5 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | T525 | T525-T547 WeakPolarHBondContact O-CG2 3.19Š|
| 548 | P | 31.4 | Very low | 29.9 | Very low | 89 Ų | 89 | 78.4 Ų | 78.4 | 58% | 0.578 | 49% | 0.486 | S | S | * | . | | | trans | -64.1 | 134.2 | 169.9 | -20.3 | 33 | 0 | 0 | 0 | 111.4 | | |
| 549 | V | 29.9 | Very low | 29.8 | Very low | 31 Ų | 31 | 76.9 Ų | 76.9 | 19% | 0.188 | 48% | 0.475 | C | S | . | . | B | Isolated β-bridge | trans | -117.4 | 136.4 | 174 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | V566 | V549-V566 HydrophobicContact CB-CG1 4.38Å |
| 550 | K | 30.5 | Very low | 29.7 | Very low | 171 Ų | 171 | 79 Ų | 79 | 74% | 0.743 | 49% | 0.489 | S | S | * | . | | | trans | -122.4 | 80.3 | 178.3 | -166.3 | 174 | -177.4 | 177.7 | 0 | 110.6 | | |
| 551 | G | 31 | Very low | 29.9 | Very low | 26 Ų | 26 | 80 Ų | 80 | 27% | 0.268 | 49% | 0.485 | S | S | . | . | S | Bend | trans | 168.6 | 168.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A553 | G551-A553 PolarHBondContact O-N 2.64Š|
| 552 | P | 31.3 | Very low | 29.9 | Very low | 90 Ų | 90 | 80.9 Ų | 80.9 | 58% | 0.584 | 48% | 0.479 | S | S | * | . | | | trans | -68.8 | 126.5 | 176.5 | 28.7 | -33.7 | 0 | 0 | 0 | 110.8 | | |
| 553 | A | 31.8 | Very low | 30.2 | Very low | 30 Ų | 30 | 79.8 Ų | 79.8 | 25% | 0.248 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 142.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G551 | G551-A553 PolarHBondContact O-N 2.64Å |
| 554 | S | 31.8 | Very low | 30.3 | Very low | 57 Ų | 57 | 78.8 Ų | 78.8 | 40% | 0.399 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 119.6 | 174.5 | -164 | 0 | 0 | 0 | 0 | 110.8 | | |
| 555 | T | 32.8 | Very low | 30.4 | Very low | 63 Ų | 63 | 77.7 Ų | 77.7 | 39% | 0.387 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.8 | -172.3 | -35.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 556 | Q | 28.6 | Very low | 30.6 | Very low | 90 Ų | 90 | 77.1 Ų | 77.1 | 42% | 0.421 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 107.6 | 171.2 | -67.1 | -177.6 | 10.2 | 0 | 0 | 109.1 | V535 K573 | V535-Q556 PolarHBondContact O-N 3.34Å; Q556-K573 HydrophobicContact CG-CB 4.37Å |
| 557 | T | 32 | Very low | 30.8 | Very low | 25 Ų | 25 | 74.8 Ų | 74.8 | 15% | 0.153 | 45% | 0.451 | C | S | . | . | | | trans | -150.3 | 140.6 | -173.3 | 24.2 | 0 | 0 | 0 | 0 | 110.7 | T537 V539 V559 T574 | T537-T557 WeakPolarHBondContact O-CG2 3.33Å; V539-T557 HydrophobicContact CG2-CG2 4.32Å; T557-V559 HydrophobicContact CG2-CG2 4.43Å; T557-T574 VanDerWaalsContact O-CA 3.23Å; T557-T574 WeakPolarHBondContact O-CA 3.41Å; T557-T574 VanDerWaalsContact O-CB 3.27Å; T557-T574 WeakPolarHBondContact O-CB 3.34Å; T557-T574 VanDerWaalsContact O-CG2 3.3Å; T557-T574 WeakPolarHBondContact O-CG2 3.34Å |
| 558 | S | 28.2 | Very low | 31 | Very low | 68 Ų | 68 | 74.1 Ų | 74.1 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | | | trans | -85.6 | 123.9 | 156.6 | 52.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 559 | V | 28.7 | Very low | 31.1 | Very low | 47 Ų | 47 | 73.7 Ų | 73.7 | 29% | 0.285 | 45% | 0.448 | S | S | . | . | | | trans | -139.3 | 142.6 | -178.2 | -161.7 | 0 | 0 | 0 | 0 | 109.1 | T557 | T557-V559 HydrophobicContact CG2-CG2 4.43Š|
| 560 | T | 29.3 | Very low | 31.4 | Very low | 111 Ų | 111 | 73.4 Ų | 73.4 | 68% | 0.681 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -109.1 | 4.5 | -175.7 | -28.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 561 | E | 32.5 | Very low | 31.5 | Very low | 133 Ų | 133 | 67.3 Ų | 67.3 | 62% | 0.621 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -142.9 | 159.5 | -173.9 | -77.3 | -59.2 | 149.7 | 0 | 0 | 110.9 | | |
| 562 | P | 29.6 | Very low | 31.8 | Very low | 83 Ų | 83 | 68.9 Ų | 68.9 | 54% | 0.539 | 43% | 0.434 | S | S | . | . | | | trans | -76.5 | 160.3 | -170.1 | 31.2 | -34.9 | 0 | 0 | 0 | 114.3 | | |
| 563 | V | 29.5 | Very low | 31.8 | Very low | 121 Ų | 121 | 69.1 Ų | 69.1 | 73% | 0.733 | 43% | 0.426 | S | S | * | . | | | trans | -117.3 | 133.4 | -168.5 | -179.3 | 0 | 0 | 0 | 0 | 112 | | |
| 564 | S | 31.4 | Very low | 32 | Very low | 58 Ų | 58 | 68.8 Ų | 68.8 | 41% | 0.406 | 42% | 0.421 | S | S | . | . | | | trans | -72.5 | 154.3 | 175.6 | -66.4 | 0 | 0 | 0 | 0 | 113.4 | N545 | N545-S564 WeakPolarHBondContact O-CB 3.42Š|
| 565 | P | 28 | Very low | 31.9 | Very low | 85 Ų | 85 | 69.7 Ų | 69.7 | 55% | 0.552 | 43% | 0.427 | S | S | * | . | | | trans | -76.3 | 152.2 | -160.6 | 28.8 | -36.4 | 0 | 0 | 0 | 116.1 | T584 | P565-T584 HydrophobicContact CB-CG2 4.44Å; P565-T584 HydrophobicContact CG-CG2 4.41Å |
| 566 | V | 32.5 | Very low | 31.9 | Very low | 65 Ų | 65 | 68 Ų | 68 | 39% | 0.394 | 42% | 0.417 | S | S | . | . | | | trans | -121.1 | 123.8 | 174 | 175 | 0 | 0 | 0 | 0 | 109.8 | V549 G568 | V549-V566 HydrophobicContact CB-CG1 4.38Å; V566-G568 PolarHBondContact O-N 2.76Å; V566-G568 VanDerWaalsContact O-N 3.16Å |
| 567 | P | 34.2 | Very low | 32 | Very low | 96 Ų | 96 | 72.3 Ų | 72.3 | 62% | 0.623 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -79.1 | 93.4 | 176.1 | -12.8 | 29.6 | 0 | 0 | 0 | 112.2 | | |
| 568 | G | 36 | Very low | 32.1 | Very low | 18 Ų | 18 | 72.6 Ų | 72.6 | 19% | 0.186 | 44% | 0.442 | C | S | . | . | S | Bend | trans | 164 | 176.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V566 A570 | V566-G568 PolarHBondContact O-N 2.76Å; V566-G568 VanDerWaalsContact O-N 3.16Å; G568-A570 PolarHBondContact O-N 2.9Å |
| 569 | P | 33 | Very low | 32.1 | Very low | 80 Ų | 80 | 76.2 Ų | 76.2 | 52% | 0.519 | 45% | 0.451 | S | S | . | . | | | trans | -65.1 | 116.2 | 174.8 | 27.5 | -33.8 | 0 | 0 | 0 | 110.3 | P589 | P569-P589 HydrophobicContact CB-CG 4.37Š|
| 570 | A | 36.2 | Very low | 32.1 | Very low | 25 Ų | 25 | 76.1 Ų | 76.1 | 21% | 0.207 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G568 | G568-A570 PolarHBondContact O-N 2.9Å |
| 571 | A | 33.3 | Very low | 32.1 | Very low | 43 Ų | 43 | 74 Ų | 74 | 36% | 0.355 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 104.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 572 | V | 36.2 | Very low | 32 | Very low | 58 Ų | 58 | 70.9 Ų | 70.9 | 35% | 0.352 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 128.5 | -172.7 | -176.5 | 0 | 0 | 0 | 0 | 110.6 | T574 S591 Q593 | V572-T574 HydrophobicContact CG1-CG2 3.87Å; V572-T574 WeakPolarHBondContact CG1-OG1 3.46Å; V572-S591 PolarHBondContact N-O 3.47Å; V572-Q593 PolarHBondContact O-N 2.71Å |
| 573 | K | 31.6 | Very low | 31.8 | Very low | 95 Ų | 95 | 75.5 Ų | 75.5 | 41% | 0.413 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 75.8 | 177.9 | -68.8 | -173.5 | 175.9 | -173 | 0 | 110.3 | Q556 Q593 | Q556-K573 HydrophobicContact CG-CB 4.37Å; K573-Q593 VanDerWaalsContact CE-OE1 3.27Å; K573-Q593 HydrophobicContact CG-CB 4.41Å |
| 574 | T | 35.9 | Very low | 31.8 | Very low | 24 Ų | 24 | 73.8 Ų | 73.8 | 15% | 0.147 | 43% | 0.432 | C | S | . | . | | | trans | -132.4 | 116.9 | -175.5 | 57.3 | 0 | 0 | 0 | 0 | 110.4 | T557 V572 V576 T594 | T557-T574 VanDerWaalsContact O-CA 3.23Å; T557-T574 WeakPolarHBondContact O-CA 3.41Å; T557-T574 VanDerWaalsContact O-CB 3.27Å; T557-T574 WeakPolarHBondContact O-CB 3.34Å; T557-T574 VanDerWaalsContact O-CG2 3.3Å; T557-T574 WeakPolarHBondContact O-CG2 3.34Å; V572-T574 HydrophobicContact CG1-CG2 3.87Å; V572-T574 WeakPolarHBondContact CG1-OG1 3.46Å; T574-V576 PolarHBondContact O-N 2.79Å; T574-T594 PolarHBondContact N-OG1 2.75Å; T574-T594 WeakPolarHBondContact O-CB 3.38Å; T574-T594 PolarHBondContact O-OG1 3.37Å |
| 575 | S | 30.3 | Very low | 31.7 | Very low | 75 Ų | 75 | 77.6 Ų | 77.6 | 52% | 0.524 | 44% | 0.444 | S | S | . | . | | | trans | -79.2 | 120.7 | 176.6 | -156 | 0 | 0 | 0 | 0 | 108.5 | | |
| 576 | V | 33.6 | Very low | 31.8 | Very low | 28 Ų | 28 | 75.8 Ų | 75.8 | 17% | 0.17 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 135.3 | -172.3 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | T574 V580 | T574-V576 PolarHBondContact O-N 2.79Å; V576-V580 HydrophobicContact CG1-CG2 3.8Å |
| 577 | K | 30.7 | Very low | 31.8 | Very low | 181 Ų | 181 | 78.2 Ų | 78.2 | 79% | 0.787 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 86.5 | 176 | -166.8 | -179.6 | -174.8 | -174.9 | 0 | 107.8 | | |
| 578 | G | 32.5 | Very low | 31.7 | Very low | 30 Ų | 30 | 74.5 Ų | 74.5 | 31% | 0.309 | 43% | 0.425 | S | S | . | . | S | Bend | trans | 159.3 | 170.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 579 | Q | 28.4 | Very low | 31.6 | Very low | 144 Ų | 144 | 77.1 Ų | 77.1 | 67% | 0.673 | 44% | 0.439 | S | S | * | . | | | trans | -73.9 | 129.4 | -179.6 | -171.8 | -179.2 | 19.6 | 0 | 0 | 111.1 | | |
| 580 | V | 29 | Very low | 31.7 | Very low | 46 Ų | 46 | 76.2 Ų | 76.2 | 28% | 0.279 | 43% | 0.429 | S | S | . | . | | | trans | -111.3 | 120.9 | 177.9 | -178.4 | 0 | 0 | 0 | 0 | 110 | V576 T582 | V576-V580 HydrophobicContact CG1-CG2 3.8Å; V580-T582 HydrophobicContact CG1-CG2 4.45Å |
| 581 | S | 28.8 | Very low | 31.6 | Very low | 66 Ų | 66 | 77.2 Ų | 77.2 | 46% | 0.462 | 44% | 0.435 | S | S | . | . | | | trans | -121.5 | 128.1 | 174.9 | -172.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 582 | T | 31.4 | Very low | 31.8 | Very low | 68 Ų | 68 | 78 Ų | 78 | 42% | 0.417 | 44% | 0.435 | S | S | . | . | B | Isolated β-bridge | trans | -120.8 | 130 | 178.3 | 51 | 0 | 0 | 0 | 0 | 110.3 | V580 | V580-T582 HydrophobicContact CG1-CG2 4.45Å |
| 583 | K | 26.2 | Very low | 31.6 | Very low | 179 Ų | 179 | 78.9 Ų | 78.9 | 78% | 0.778 | 44% | 0.435 | S | S | * | . | | | trans | -126.2 | 113.8 | 174.1 | -70.6 | -178.7 | 178.7 | 178 | 0 | 108.2 | | |
| 584 | T | 29.1 | Very low | 31.8 | Very low | 85 Ų | 85 | 75.6 Ų | 75.6 | 52% | 0.521 | 42% | 0.424 | S | S | . | . | S | Bend | trans | 150.4 | 146.3 | 161.3 | -67.8 | 0 | 0 | 0 | 0 | 109.4 | P565 T604 | P565-T584 HydrophobicContact CB-CG2 4.44Å; P565-T584 HydrophobicContact CG-CG2 4.41Å; T584-T604 WeakPolarHBondContact O-CG2 3.46Å |
| 585 | Q | 28.3 | Very low | 31.6 | Very low | 139 Ų | 139 | 77.1 Ų | 77.1 | 65% | 0.65 | 43% | 0.434 | S | S | * | . | | | trans | -61.8 | 153.2 | 177.2 | -66.3 | 178.1 | -2.2 | 0 | 0 | 112.4 | | |
| 586 | V | 30.3 | Very low | 31.8 | Very low | 46 Ų | 46 | 74.7 Ų | 74.7 | 28% | 0.279 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -129.2 | 130 | 172.8 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | L590 | V586-L590 HydrophobicContact CB-CD1 4.16Å; V586-L590 HydrophobicContact CG1-CD1 4.01Å; V586-L590 HydrophobicContact CG1-CD2 4.16Å; V586-L590 HydrophobicContact CG1-CG 4.04Å; V586-L590 HydrophobicContact CG2-CD1 4.27Å |
| 587 | T | 32.5 | Very low | 31.9 | Very low | 116 Ų | 116 | 77.3 Ų | 77.3 | 71% | 0.712 | 43% | 0.432 | S | S | * | . | | | trans | -111.5 | 80.1 | 179.2 | -38.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 588 | G | 32.6 | Very low | 31.9 | Very low | 19 Ų | 19 | 69.6 Ų | 69.6 | 20% | 0.196 | 40% | 0.403 | C | S | . | . | S | Bend | trans | 157.8 | 167.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 589 | P | 33.2 | Very low | 31.9 | Very low | 73 Ų | 73 | 71.2 Ų | 71.2 | 47% | 0.474 | 41% | 0.409 | S | S | . | . | | | trans | -69.6 | 133.4 | -178.6 | 28.6 | -34.8 | 0 | 0 | 0 | 111.8 | P569 P609 | P569-P589 HydrophobicContact CB-CG 4.37Å; P589-P609 WeakPolarHBondContact CA-O 3.5Å; P589-P609 HydrophobicContact CB-CG 4.48Å |
| 590 | L | 36.5 | Very low | 32.2 | Very low | 60 Ų | 60 | 65.9 Ų | 65.9 | 31% | 0.314 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 137.5 | 179.6 | -77.5 | 168.9 | 0 | 0 | 0 | 111.5 | V586 P609 S611 | V586-L590 HydrophobicContact CB-CD1 4.16Å; V586-L590 HydrophobicContact CG1-CD1 4.01Å; V586-L590 HydrophobicContact CG1-CD2 4.16Å; V586-L590 HydrophobicContact CG1-CG 4.04Å; V586-L590 HydrophobicContact CG2-CD1 4.27Å; L590-P609 PolarHBondContact N-O 3.3Å; L590-S611 PolarHBondContact O-N 2.85Å; L590-S611 VanDerWaalsContact O-N 3.11Å |
| 591 | S | 34.2 | Very low | 32.5 | Very low | 46 Ų | 46 | 65.3 Ų | 65.3 | 32% | 0.322 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 115 | 176.1 | -81.4 | 0 | 0 | 0 | 0 | 112.1 | V572 | V572-S591 PolarHBondContact N-O 3.47Å |
| 592 | V | 36.7 | Very low | 32.8 | Very low | 60 Ų | 60 | 64.3 Ų | 64.3 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.8 | 178.6 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | S611 K613 | V592-S611 PolarHBondContact N-O 3.37Å; V592-K613 PolarHBondContact O-N 3.18Å; V592-K613 VanDerWaalsContact O-N 3.14Å |
| 593 | Q | 32.1 | Very low | 32.8 | Very low | 76 Ų | 76 | 66.9 Ų | 66.9 | 36% | 0.355 | 38% | 0.379 | S | S | . | . | | | trans | -133.1 | 46.2 | -170.1 | -59.6 | -175.2 | 14.6 | 0 | 0 | 113.4 | V572 K573 K613 T614 | V572-Q593 PolarHBondContact O-N 2.71Å; K573-Q593 VanDerWaalsContact CE-OE1 3.27Å; K573-Q593 HydrophobicContact CG-CB 4.41Å; Q593-K613 HydrophobicContact CG-CB 4.33Å; Q593-T614 VanDerWaalsContact C-OG1 3.3Å |
| 594 | T | 35.6 | Very low | 33.1 | Very low | 27 Ų | 27 | 59.4 Ų | 59.4 | 17% | 0.166 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -145.4 | 154.2 | 175.8 | 34.7 | 0 | 0 | 0 | 0 | 112.5 | T574 T614 | T574-T594 PolarHBondContact N-OG1 2.75Å; T574-T594 WeakPolarHBondContact O-CB 3.38Å; T574-T594 PolarHBondContact O-OG1 3.37Å; T594-T614 PolarHBondContact N-OG1 2.71Å; T594-T614 WeakPolarHBondContact O-CB 3.29Å |
| 595 | P | 32.6 | Very low | 33.3 | Very low | 56 Ų | 56 | 58.2 Ų | 58.2 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | | | trans | -73.4 | 149.8 | 177.4 | 31.9 | -34.1 | 0 | 0 | 0 | 111 | T614 Q615 | P595-T614 HydrophobicContact CB-CG2 3.97Å; P595-T614 HydrophobicContact CG-CG2 4.43Å; P595-Q615 WeakPolarHBondContact CA-O 3.39Å |
| 596 | V | 34.4 | Very low | 33.6 | Very low | 24 Ų | 24 | 52.7 Ų | 52.7 | 15% | 0.145 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 135.3 | 176.5 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | V600 Q615 T617 | V596-V600 HydrophobicContact CG1-CG2 3.99Å; V596-Q615 PolarHBondContact N-O 3.05Å; V596-T617 PolarHBondContact O-N 3.41Å; V596-T617 VanDerWaalsContact O-N 3.11Å |
| 597 | T | 34.7 | Very low | 33.8 | Very low | 83 Ų | 83 | 57.5 Ų | 57.5 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 110.4 | 174.3 | -47.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 598 | G | 31.2 | Very low | 33.8 | Very low | 18 Ų | 18 | 52.8 Ų | 52.8 | 19% | 0.186 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 129.8 | 162.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T617 | G598-T617 PolarHBondContact N-O 3.39Š|
| 599 | P | 33.3 | Very low | 33.8 | Very low | 64 Ų | 64 | 55.3 Ų | 55.3 | 42% | 0.416 | 33% | 0.33 | S | S | . | . | | | trans | -73.5 | 140 | -175.9 | 30 | -35.5 | 0 | 0 | 0 | 112.6 | P619 | P599-P619 WeakPolarHBondContact CA-O 3.46Å; P599-P619 HydrophobicContact CB-CG 4.24Å |
| 600 | V | 33.3 | Very low | 33.9 | Very low | 33 Ų | 33 | 53.6 Ų | 53.6 | 20% | 0.2 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 101.9 | -177.1 | -174.5 | 0 | 0 | 0 | 0 | 111.2 | V596 V602 P619 S621 | V596-V600 HydrophobicContact CG1-CG2 3.99Å; V600-V602 HydrophobicContact CG1-CG2 4.14Å; V600-P619 PolarHBondContact N-O 3.28Å; V600-S621 PolarHBondContact O-N 3.49Å |
| 601 | P | 35.2 | Very low | 33.8 | Very low | 33 Ų | 33 | 52.5 Ų | 52.5 | 21% | 0.214 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 114.9 | 172.1 | 32.4 | -31.5 | 0 | 0 | 0 | 111.7 | S621 | P601-S621 WeakPolarHBondContact CA-O 3.27Å |
| 602 | V | 35.1 | Very low | 33.9 | Very low | 46 Ų | 46 | 53.3 Ų | 53.3 | 28% | 0.279 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 121.2 | 176 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | V600 T604 S621 Q623 | V600-V602 HydrophobicContact CG1-CG2 4.14Å; V602-T604 WeakPolarHBondContact CG1-OG1 3.36Å; V602-S621 PolarHBondContact N-O 3.31Å; V602-Q623 PolarHBondContact O-N 3.08Å; V602-Q623 VanDerWaalsContact O-N 3.09Å |
| 603 | K | 31 | Very low | 33.7 | Very low | 121 Ų | 121 | 57 Ų | 57 | 53% | 0.526 | 33% | 0.333 | S | S | . | . | | | trans | -128.5 | 54.1 | -177.8 | -58.5 | -158.7 | -174.2 | -144.8 | 0 | 112 | | |
| 604 | T | 34.3 | Very low | 33.8 | Very low | 23 Ų | 23 | 55.2 Ų | 55.2 | 14% | 0.141 | 33% | 0.328 | C | S | . | . | | | trans | -142.5 | 122.4 | -172.8 | 43 | 0 | 0 | 0 | 0 | 111.7 | T584 V602 T624 | T584-T604 WeakPolarHBondContact O-CG2 3.46Å; V602-T604 WeakPolarHBondContact CG1-OG1 3.36Å; T604-T624 PolarHBondContact N-OG1 3.2Å; T604-T624 PolarHBondContact O-OG1 3.12Å |
| 605 | P | 32.7 | Very low | 33.7 | Very low | 60 Ų | 60 | 59.7 Ų | 59.7 | 39% | 0.39 | 35% | 0.347 | S | S | . | . | | | trans | -65 | 140.5 | 168.3 | -17.3 | 30.9 | 0 | 0 | 0 | 110.6 | T624 | P605-T624 HydrophobicContact CG-CG2 4.33Š|
| 606 | A | 34.5 | Very low | 33.6 | Very low | 23 Ų | 23 | 58.9 Ų | 58.9 | 19% | 0.19 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 131.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 607 | M | 34 | Very low | 33.7 | Very low | 146 Ų | 146 | 61.7 Ų | 61.7 | 72% | 0.719 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 82.6 | 173.8 | -69.6 | 170.2 | 63.4 | 0 | 0 | 108.9 | | |
| 608 | G | 32.8 | Very low | 33.6 | Very low | 18 Ų | 18 | 58.7 Ų | 58.7 | 19% | 0.186 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 151.6 | 163.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 609 | P | 33.7 | Very low | 33.7 | Very low | 72 Ų | 72 | 60.7 Ų | 60.7 | 47% | 0.468 | 35% | 0.353 | S | S | . | . | | | trans | -71.1 | 136.1 | -177.7 | 29.2 | -34.8 | 0 | 0 | 0 | 111.9 | P589 L590 | P589-P609 WeakPolarHBondContact CA-O 3.5Å; P589-P609 HydrophobicContact CB-CG 4.48Å; L590-P609 PolarHBondContact N-O 3.3Å |
| 610 | A | 34.1 | Very low | 33.7 | Very low | 37 Ų | 37 | 60.3 Ų | 60.3 | 31% | 0.306 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P631 | A610-P631 WeakPolarHBondContact O-CD 3.43Å |
| 611 | S | 34.8 | Very low | 33.7 | Very low | 37 Ų | 37 | 60.1 Ų | 60.1 | 26% | 0.259 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 133.6 | 179.9 | -168 | 0 | 0 | 0 | 0 | 113.8 | L590 V592 P631 | L590-S611 PolarHBondContact O-N 2.85Å; L590-S611 VanDerWaalsContact O-N 3.11Å; V592-S611 PolarHBondContact N-O 3.37Å; S611-P631 PolarHBondContact OG-O 3.49Å |
| 612 | T | 35.5 | Very low | 33.6 | Very low | 63 Ų | 63 | 60 Ų | 60 | 39% | 0.387 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 128.4 | 176.7 | 49.7 | 0 | 0 | 0 | 0 | 110.2 | K633 | T612-K633 PolarHBondContact O-N 2.71Å |
| 613 | K | 32.6 | Very low | 33.4 | Very low | 136 Ų | 136 | 61.9 Ų | 61.9 | 59% | 0.591 | 36% | 0.357 | S | S | * | . | | | trans | -122.1 | 21 | -166.9 | -150.1 | -171.4 | 174.4 | -177.5 | 0 | 115.2 | V592 Q593 | V592-K613 PolarHBondContact O-N 3.18Å; V592-K613 VanDerWaalsContact O-N 3.14Å; Q593-K613 HydrophobicContact CG-CB 4.33Å |
| 614 | T | 34.4 | Very low | 33.3 | Very low | 40 Ų | 40 | 57.3 Ų | 57.3 | 25% | 0.245 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -148.8 | 160.4 | -175.8 | -43.7 | 0 | 0 | 0 | 0 | 111.6 | Q593 T594 P595 A634 | Q593-T614 VanDerWaalsContact C-OG1 3.3Å; T594-T614 PolarHBondContact N-OG1 2.71Å; T594-T614 WeakPolarHBondContact O-CB 3.29Å; P595-T614 HydrophobicContact CB-CG2 3.97Å; P595-T614 HydrophobicContact CG-CG2 4.43Å; T614-A634 WeakPolarHBondContact O-CB 3.43Å |
| 615 | Q | 32.8 | Very low | 33.3 | Very low | 121 Ų | 121 | 59.8 Ų | 59.8 | 57% | 0.565 | 36% | 0.356 | S | S | * | . | | | trans | -59 | 146.3 | -178.4 | -63.1 | -177.9 | -17.3 | 0 | 0 | 112.3 | P595 V596 P635 | P595-Q615 WeakPolarHBondContact CA-O 3.39Å; V596-Q615 PolarHBondContact N-O 3.05Å; Q615-P635 HydrophobicContact CG-CG 3.86Å |
| 616 | V | 31.8 | Very low | 33.4 | Very low | 39 Ų | 39 | 58.6 Ų | 58.6 | 24% | 0.236 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130 | 173.9 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | V620 | V616-V620 HydrophobicContact CG1-CG2 4.01Å |
| 617 | T | 36.8 | Very low | 33.6 | Very low | 83 Ų | 83 | 62 Ų | 62 | 51% | 0.509 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 96 | 175.3 | -45 | 0 | 0 | 0 | 0 | 108.4 | V596 G598 | V596-T617 PolarHBondContact O-N 3.41Å; V596-T617 VanDerWaalsContact O-N 3.11Å; G598-T617 PolarHBondContact N-O 3.39Å |
| 618 | G | 31.8 | Very low | 33.6 | Very low | 20 Ų | 20 | 55.5 Ų | 55.5 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | S | Bend | trans | 142.2 | 155.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 619 | P | 33.4 | Very low | 33.7 | Very low | 60 Ų | 60 | 57.2 Ų | 57.2 | 39% | 0.39 | 34% | 0.344 | S | S | . | . | | | trans | -70.7 | 140.5 | -175.1 | 27.7 | -34.6 | 0 | 0 | 0 | 112.3 | P599 V600 | P599-P619 WeakPolarHBondContact CA-O 3.46Å; P599-P619 HydrophobicContact CB-CG 4.24Å; V600-P619 PolarHBondContact N-O 3.28Å |
| 620 | V | 33 | Very low | 33.9 | Very low | 56 Ų | 56 | 55.9 Ų | 55.9 | 34% | 0.339 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.7 | 179.3 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | V616 S641 | V616-V620 HydrophobicContact CG1-CG2 4.01Å; V620-S641 PolarHBondContact O-N 3.45Å |
| 621 | S | 33 | Very low | 34.1 | Very low | 29 Ų | 29 | 56 Ų | 56 | 20% | 0.203 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 123.9 | 178.2 | -167.9 | 0 | 0 | 0 | 0 | 111.7 | V600 P601 V602 | V600-S621 PolarHBondContact O-N 3.49Å; P601-S621 WeakPolarHBondContact CA-O 3.27Å; V602-S621 PolarHBondContact N-O 3.31Å |
| 622 | A | 33.7 | Very low | 34.3 | Very low | 29 Ų | 29 | 56.3 Ų | 56.3 | 24% | 0.24 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 133 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 623 | Q | 29.8 | Very low | 34.4 | Very low | 86 Ų | 86 | 58 Ų | 58 | 40% | 0.402 | 34% | 0.335 | S | S | . | . | | | trans | -121.5 | 21.9 | -172.4 | -61.3 | -171.4 | -14 | 0 | 0 | 113.6 | V602 | V602-Q623 PolarHBondContact O-N 3.08Å; V602-Q623 VanDerWaalsContact O-N 3.09Å |
| 624 | T | 30.9 | Very low | 34.7 | Very low | 26 Ų | 26 | 52.2 Ų | 52.2 | 16% | 0.16 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -144.5 | 143.5 | -177.8 | 40.9 | 0 | 0 | 0 | 0 | 111.2 | T604 P605 T644 | T604-T624 PolarHBondContact N-OG1 3.2Å; T604-T624 PolarHBondContact O-OG1 3.12Å; P605-T624 HydrophobicContact CG-CG2 4.33Å; T624-T644 PolarHBondContact O-OG1 3.02Å |
| 625 | P | 32.8 | Very low | 34.6 | Very low | 74 Ų | 74 | 52.2 Ų | 52.2 | 48% | 0.481 | 31% | 0.313 | S | S | . | . | | | trans | -63.6 | 149.7 | 178.9 | 28 | -35.5 | 0 | 0 | 0 | 112.1 | | |
| 626 | V | 35.1 | Very low | 34.8 | Very low | 36 Ų | 36 | 47.5 Ų | 47.5 | 22% | 0.218 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129.5 | -177.6 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | V630 | V626-V630 HydrophobicContact CG1-CG2 4.14Å |
| 627 | T | 39 | Very low | 35.1 | Very low | 94 Ų | 94 | 49 Ų | 49 | 58% | 0.577 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 87 | 178.6 | -44.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 628 | G | 33.3 | Very low | 35 | Very low | 9 Ų | 9 | 51.4 Ų | 51.4 | 9% | 0.093 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 150.5 | 162.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 629 | P | 35.8 | Very low | 34.9 | Very low | 55 Ų | 55 | 54.7 Ų | 54.7 | 36% | 0.357 | 33% | 0.329 | S | S | . | . | | | trans | -71.9 | 141.9 | -172.9 | 28.2 | -35.9 | 0 | 0 | 0 | 113.2 | P631 L649 | P629-P631 WeakPolarHBondContact O-CD 3.49Å; P629-L649 VanDerWaalsContact CA-O 3.32Å; P629-L649 WeakPolarHBondContact CA-O 3.33Å; P629-L649 HydrophobicContact CB-CB 4.4Å |
| 630 | V | 36.8 | Very low | 34.9 | Very low | 44 Ų | 44 | 55 Ų | 55 | 27% | 0.267 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 90.3 | -174.5 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | V626 V632 L649 L651 | V626-V630 HydrophobicContact CG1-CG2 4.14Å; V630-V632 HydrophobicContact CG1-CG2 4.29Å; V630-V632 PolarHBondContact O-N 3.28Å; V630-L649 PolarHBondContact N-O 2.98Å; V630-L651 PolarHBondContact O-N 3.24Å |
| 631 | P | 38.8 | Very low | 34.9 | Very low | 39 Ų | 39 | 53.7 Ų | 53.7 | 25% | 0.253 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 110.1 | 176.2 | 30.4 | -34.1 | 0 | 0 | 0 | 112.9 | A610 S611 P629 | A610-P631 WeakPolarHBondContact O-CD 3.43Å; S611-P631 PolarHBondContact OG-O 3.49Å; P629-P631 WeakPolarHBondContact O-CD 3.49Å |
| 632 | V | 39.3 | Very low | 34.9 | Very low | 44 Ų | 44 | 55.1 Ų | 55.1 | 27% | 0.267 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 120.3 | 178 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | V630 A634 L651 C653 | V630-V632 HydrophobicContact CG1-CG2 4.29Å; V630-V632 PolarHBondContact O-N 3.28Å; V632-A634 HydrophobicContact CG1-CB 4.49Å; V632-L651 PolarHBondContact N-O 3.02Å; V632-C653 PolarHBondContact O-N 3.43Å; V632-C653 VanDerWaalsContact O-N 3.16Å |
| 633 | K | 38.1 | Very low | 34.9 | Very low | 99 Ų | 99 | 59.2 Ų | 59.2 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | | | trans | -118.2 | 22 | -176.5 | -58.9 | -163.3 | 172.7 | -174.6 | 0 | 114.4 | T612 C653 K654 | T612-K633 PolarHBondContact O-N 2.71Å; K633-C653 HydrophobicContact CG-CB 4.01Å; K633-K654 WeakPolarHBondContact O-CD 3.31Å; K633-K654 WeakPolarHBondContact O-CE 3.48Å; K633-K654 PolarHBondContact O-NZ 3.34Å |
| 634 | A | 38.7 | Very low | 35 | Very low | 13 Ų | 13 | 56.5 Ų | 56.5 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -97.4 | 145.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T614 V632 | T614-A634 WeakPolarHBondContact O-CB 3.43Å; V632-A634 HydrophobicContact CG1-CB 4.49Å |
| 635 | P | 33.1 | Very low | 35 | Very low | 41 Ų | 41 | 58.7 Ų | 58.7 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | | | trans | -73.9 | 146.4 | 153.1 | 34.9 | -29 | 0 | 0 | 0 | 108.2 | Q615 K654 | Q615-P635 HydrophobicContact CG-CG 3.86Å; P635-K654 HydrophobicContact CB-CD 4.27Å; P635-K654 HydrophobicContact CG-CD 4.28Å |
| 636 | A | 35.3 | Very low | 35.1 | Very low | 22 Ų | 22 | 56.8 Ų | 56.8 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -128.3 | 133.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | I640 | A636-I640 HydrophobicContact CB-CD1 4.47Å |
| 637 | A | 39.8 | Very low | 35.3 | Very low | 70 Ų | 70 | 58.7 Ų | 58.7 | 58% | 0.579 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -91.6 | -19.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 638 | E | 33.4 | Very low | 35.5 | Very low | 133 Ų | 133 | 58.9 Ų | 58.9 | 62% | 0.621 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -147.4 | 147.9 | 179.1 | -69.6 | -167.2 | 123.4 | 0 | 0 | 113.3 | | |
| 639 | L | 29.4 | Very low | 35.5 | Very low | 90 Ų | 90 | 61.1 Ų | 61.1 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | | | trans | 25.8 | 102.3 | 155 | -147.4 | 152.6 | 0 | 0 | 0 | 118.7 | | |
| 640 | I | 34.5 | Very low | 35.5 | Very low | 67 Ų | 67 | 61 Ų | 61 | 34% | 0.344 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 129 | 166 | -58.3 | 173.6 | 0 | 0 | 0 | 108.6 | A636 | A636-I640 HydrophobicContact CB-CD1 4.47Å |
| 641 | S | 32.3 | Very low | 35.4 | Very low | 28 Ų | 28 | 61.6 Ų | 61.6 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 109.9 | -177.8 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | V620 | V620-S641 PolarHBondContact O-N 3.45Å |
| 642 | T | 33.4 | Very low | 35.3 | Very low | 59 Ų | 59 | 61.6 Ų | 61.6 | 36% | 0.362 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 135.6 | 172.4 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 643 | Q | 34 | Very low | 35 | Very low | 115 Ų | 115 | 61.5 Ų | 61.5 | 54% | 0.537 | 35% | 0.348 | S | S | . | . | | | trans | -127.2 | 19 | -175.7 | -68 | -167.9 | 80.9 | 0 | 0 | 113.8 | C664 | Q643-C664 VanDerWaalsContact CA-SG 3.53Š|
| 644 | T | 30.9 | Very low | 34.9 | Very low | 28 Ų | 28 | 61 Ų | 61 | 17% | 0.172 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -136.9 | 149.2 | 174.5 | 49.1 | 0 | 0 | 0 | 0 | 110.7 | T624 C664 | T624-T644 PolarHBondContact O-OG1 3.02Å; T644-C664 PolarHBondContact N-SG 2.93Å |
| 645 | P | 31.3 | Very low | 34.7 | Very low | 72 Ų | 72 | 63.5 Ų | 63.5 | 47% | 0.468 | 36% | 0.36 | S | S | . | . | | | trans | -62.1 | 150.2 | 178.9 | 27.3 | -35.6 | 0 | 0 | 0 | 112.1 | P665 | P645-P665 HydrophobicContact CB-CG 4.46Š|
| 646 | V | 35.3 | Very low | 34.9 | Very low | 35 Ų | 35 | 63.1 Ų | 63.1 | 21% | 0.212 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -125.4 | 135.5 | 177.7 | -178 | 0 | 0 | 0 | 0 | 108.1 | E648 V650 T667 | V646-E648 WeakPolarHBondContact CG1-O 3.22Å; V646-V650 HydrophobicContact CG1-CG2 4.18Å; V646-T667 PolarHBondContact O-OG1 3.44Å |
| 647 | T | 39.3 | Very low | 35.2 | Very low | 76 Ų | 76 | 66.4 Ų | 66.4 | 47% | 0.466 | 38% | 0.376 | S | S | . | . | | | trans | -108.6 | 3 | -173.3 | 49.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 648 | E | 41.7 | Very low | 35 | Very low | 98 Ų | 98 | 64.2 Ų | 64.2 | 46% | 0.458 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -147.6 | 164 | -169.5 | -95.7 | -68 | 167.3 | 0 | 0 | 112.4 | V646 V650 | V646-E648 WeakPolarHBondContact CG1-O 3.22Å; E648-V650 PolarHBondContact O-N 3.47Å |
| 649 | L | 33.7 | Very low | 35.2 | Very low | 55 Ų | 55 | 61.1 Ų | 61.1 | 29% | 0.288 | 35% | 0.351 | S | S | . | . | | | trans | -55.7 | 125.8 | -167.1 | 178.1 | 62.3 | 0 | 0 | 0 | 115.3 | P629 V630 L651 L669 | P629-L649 VanDerWaalsContact CA-O 3.32Å; P629-L649 WeakPolarHBondContact CA-O 3.33Å; P629-L649 HydrophobicContact CB-CB 4.4Å; V630-L649 PolarHBondContact N-O 2.98Å; L649-L651 HydrophobicContact CD2-CD1 4.06Å; L649-L651 HydrophobicContact CG-CD1 4.34Å; L649-L669 HydrophobicContact CD1-CB 4.38Å; L649-L669 HydrophobicContact CD1-CD2 3.7Å; L649-L669 WeakPolarHBondContact CD1-O 3.4Å |
| 650 | V | 35.7 | Very low | 35.6 | Very low | 53 Ų | 53 | 59.2 Ų | 59.2 | 32% | 0.321 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131.4 | 173 | -178.3 | 0 | 0 | 0 | 0 | 110.6 | V646 E648 L671 | V646-V650 HydrophobicContact CG1-CG2 4.18Å; E648-V650 PolarHBondContact O-N 3.47Å; V650-L671 PolarHBondContact O-N 3.03Å |
| 651 | L | 35.1 | Very low | 35.8 | Very low | 56 Ų | 56 | 57.8 Ų | 57.8 | 29% | 0.293 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 112.2 | -168.5 | -141.1 | 155.6 | 0 | 0 | 0 | 112.5 | V630 V632 L649 L671 | V630-L651 PolarHBondContact O-N 3.24Å; V632-L651 PolarHBondContact N-O 3.02Å; L649-L651 HydrophobicContact CD2-CD1 4.06Å; L649-L651 HydrophobicContact CG-CD1 4.34Å; L651-L671 HydrophobicContact CG-CB 4.46Å |
| 652 | T | 36.5 | Very low | 36.2 | Very low | 40 Ų | 40 | 58.7 Ų | 58.7 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.5 | -178.3 | 58 | 0 | 0 | 0 | 0 | 111.7 | | |
| 653 | C | 34.4 | Very low | 36.3 | Very low | 42 Ų | 42 | 62.7 Ų | 62.7 | 28% | 0.284 | 36% | 0.355 | S | S | . | . | | | trans | -109.7 | 7.7 | -168 | -61.5 | 0 | 0 | 0 | 0 | 115.1 | V632 K633 | V632-C653 PolarHBondContact O-N 3.43Å; V632-C653 VanDerWaalsContact O-N 3.16Å; K633-C653 HydrophobicContact CG-CB 4.01Å |
| 654 | K | 35.8 | Very low | 36.5 | Very low | 88 Ų | 88 | 57.9 Ų | 57.9 | 38% | 0.383 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -145.9 | 156.5 | -176.8 | -81.6 | -176.3 | -179.2 | 160.5 | 0 | 110.4 | K633 P635 | K633-K654 WeakPolarHBondContact O-CD 3.31Å; K633-K654 WeakPolarHBondContact O-CE 3.48Å; K633-K654 PolarHBondContact O-NZ 3.34Å; P635-K654 HydrophobicContact CB-CD 4.27Å; P635-K654 HydrophobicContact CG-CD 4.28Å |
| 655 | P | 34.5 | Very low | 36.7 | Very low | 65 Ų | 65 | 59.8 Ų | 59.8 | 42% | 0.422 | 35% | 0.346 | S | S | . | . | | | trans | -60.2 | 148.6 | 176 | 27.7 | -36.6 | 0 | 0 | 0 | 111.2 | K674 P675 | P655-K674 HydrophobicContact CB-CB 4.45Å; P655-P675 WeakPolarHBondContact CA-O 3.4Å; P655-P675 WeakPolarHBondContact CB-O 3.32Å |
| 656 | V | 37.2 | Very low | 37.1 | Very low | 34 Ų | 34 | 58.2 Ų | 58.2 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -120.8 | 134.5 | 172.1 | 178.4 | 0 | 0 | 0 | 0 | 107.1 | V660 G676 I677 | V656-V660 HydrophobicContact CG1-CG2 4.32Å; V656-G676 VanDerWaalsContact O-CA 3.23Å; V656-G676 WeakPolarHBondContact O-CA 3.38Å; V656-I677 PolarHBondContact O-N 3.32Å |
| 657 | T | 39.9 | Very low | 37.5 | Very low | 91 Ų | 91 | 59.9 Ų | 59.9 | 56% | 0.558 | 35% | 0.346 | S | S | * | . | B | Isolated β-bridge | trans | -110.1 | 124.6 | 173.2 | -45.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 658 | G | 36 | Very low | 37.5 | Very low | 24 Ų | 24 | 61.3 Ų | 61.3 | 25% | 0.247 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 109.4 | 164.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | I677 | G658-I677 PolarHBondContact N-O 3.25Š|
| 659 | P | 37.7 | Very low | 37.1 | Very low | 67 Ų | 67 | 59 Ų | 59 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | | | trans | -72.8 | 145 | -169.7 | 29.3 | -36 | 0 | 0 | 0 | 113.3 | P661 P679 | P659-P661 WeakPolarHBondContact O-CD 3.49Å; P659-P679 HydrophobicContact CB-CG 4.4Å |
| 660 | V | 37.4 | Very low | 37.3 | Very low | 51 Ų | 51 | 58.8 Ų | 58.8 | 31% | 0.309 | 34% | 0.338 | S | S | . | . | | | trans | -118.6 | 87.4 | -179.6 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | V656 V662 | V656-V660 HydrophobicContact CG1-CG2 4.32Å; V660-V662 HydrophobicContact CG1-CG2 4.47Å; V660-V662 PolarHBondContact O-N 2.94Å |
| 661 | P | 40.4 | Very low | 37.3 | Very low | 37 Ų | 37 | 58.4 Ų | 58.4 | 24% | 0.24 | 33% | 0.334 | C | S | . | . | | | trans | -82 | 99.4 | -176.7 | 31.8 | -34.6 | 0 | 0 | 0 | 112.4 | P659 K663 P681 | P659-P661 WeakPolarHBondContact O-CD 3.49Å; P661-K663 PolarHBondContact O-N 3.2Å; P661-P681 HydrophobicContact CB-CG 4.31Å |
| 662 | V | 39.3 | Very low | 37.5 | Very low | 46 Ų | 46 | 57.7 Ų | 57.7 | 28% | 0.279 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -81.8 | 111 | 176.1 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | V660 V666 | V660-V662 HydrophobicContact CG1-CG2 4.47Å; V660-V662 PolarHBondContact O-N 2.94Å; V662-V666 HydrophobicContact CG1-CG2 4.48Å |
| 663 | K | 36.1 | Very low | 37.5 | Very low | 143 Ų | 143 | 61.3 Ų | 61.3 | 62% | 0.622 | 35% | 0.346 | S | S | * | . | | | trans | -106.7 | 7.6 | -177.3 | -73.1 | -173.1 | 176.1 | -179.5 | 0 | 115 | P661 | P661-K663 PolarHBondContact O-N 3.2Š|
| 664 | C | 38.4 | Very low | 37.4 | Very low | 15 Ų | 15 | 64.6 Ų | 64.6 | 10% | 0.101 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -121.5 | 149.2 | -176.5 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | Q643 T644 A684 | Q643-C664 VanDerWaalsContact CA-SG 3.53Å; T644-C664 PolarHBondContact N-SG 2.93Å; C664-A684 VanDerWaalsContact C-CB 3.41Å; C664-A684 WeakPolarHBondContact O-CB 3.43Å |
| 665 | P | 36 | Very low | 37.3 | Very low | 67 Ų | 67 | 63.6 Ų | 63.6 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | | | trans | -66.4 | 140.6 | 170.8 | 30 | -34.2 | 0 | 0 | 0 | 110 | P645 P685 | P645-P665 HydrophobicContact CB-CG 4.46Å; P665-P685 WeakPolarHBondContact CA-O 3.48Å |
| 666 | V | 39.7 | Very low | 37.5 | Very low | 40 Ų | 40 | 62 Ų | 62 | 24% | 0.242 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -119.7 | 133 | -179.9 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | V662 E668 V670 T687 | V662-V666 HydrophobicContact CG1-CG2 4.48Å; V666-E668 WeakPolarHBondContact CG1-O 3.49Å; V666-V670 HydrophobicContact CG1-CG2 4.23Å; V666-T687 PolarHBondContact O-N 3.19Å |
| 667 | T | 42.3 | Very low | 37.8 | Very low | 69 Ų | 69 | 66 Ų | 66 | 42% | 0.423 | 37% | 0.373 | S | S | . | . | | | trans | -108.8 | -11.2 | -175 | 32.3 | 0 | 0 | 0 | 0 | 114.5 | V646 T687 | V646-T667 PolarHBondContact O-OG1 3.44Å; T667-T687 CarbonylContact C-O 3.52Å; T667-T687 VanDerWaalsContact C-O 3.31Å; T667-T687 WeakPolarHBondContact CA-O 3.39Å |
| 668 | E | 39.4 | Very low | 37.7 | Very low | 107 Ų | 107 | 62.6 Ų | 62.6 | 50% | 0.5 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -151.8 | 173.2 | 173.4 | -101.4 | -49.4 | 151.9 | 0 | 0 | 113.5 | V666 | V666-E668 WeakPolarHBondContact CG1-O 3.49Š|
| 669 | L | 33.1 | Very low | 37.8 | Very low | 50 Ų | 50 | 64.7 Ų | 64.7 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | | | trans | -47.6 | 140 | -160.4 | -163.4 | 137.1 | 0 | 0 | 0 | 117.9 | L649 L671 L689 | L649-L669 HydrophobicContact CD1-CB 4.38Å; L649-L669 HydrophobicContact CD1-CD2 3.7Å; L649-L669 WeakPolarHBondContact CD1-O 3.4Å; L669-L671 HydrophobicContact CD2-CB 4.43Å; L669-L671 HydrophobicContact CD2-CD1 3.51Å; L669-L671 HydrophobicContact CD2-CG 3.6Å; L669-L689 WeakPolarHBondContact CA-O 3.47Å; L669-L689 HydrophobicContact CD1-CB 3.84Å; L669-L689 HydrophobicContact CD1-CD1 4.42Å; L669-L689 HydrophobicContact CG-CB 4.3Å |
| 670 | V | 39.1 | Very low | 37.9 | Very low | 49 Ų | 49 | 64.2 Ų | 64.2 | 30% | 0.297 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.7 | 174.2 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | V666 L689 S691 | V666-V670 HydrophobicContact CG1-CG2 4.23Å; V670-L689 PolarHBondContact N-O 3.37Å; V670-S691 PolarHBondContact O-N 3.48Å |
| 671 | L | 35.6 | Very low | 38.1 | Very low | 45 Ų | 45 | 63.6 Ų | 63.6 | 24% | 0.236 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 126.2 | -179.4 | -92.3 | 165.6 | 0 | 0 | 0 | 113.3 | V650 L651 L669 | V650-L671 PolarHBondContact O-N 3.03Å; L651-L671 HydrophobicContact CG-CB 4.46Å; L669-L671 HydrophobicContact CD2-CB 4.43Å; L669-L671 HydrophobicContact CD2-CD1 3.51Å; L669-L671 HydrophobicContact CD2-CG 3.6Å |
| 672 | T | 39.2 | Very low | 38.1 | Very low | 42 Ų | 42 | 64 Ų | 64 | 26% | 0.258 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.4 | 172 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 673 | H | 35.5 | Very low | 38.1 | Very low | 115 Ų | 115 | 67.8 Ų | 67.8 | 53% | 0.532 | 37% | 0.372 | S | S | . | . | | | trans | -125.1 | 6.7 | -168.7 | -159.9 | -60.2 | 0 | 0 | 0 | 114 | | |
| 674 | K | 33.1 | Very low | 38.2 | Very low | 111 Ų | 111 | 61.6 Ų | 61.6 | 48% | 0.483 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -144.6 | 147.5 | 173.2 | -71.5 | -61.7 | 170.5 | -171 | 0 | 110.5 | P655 T694 | P655-K674 HydrophobicContact CB-CB 4.45Å; K674-T694 PolarHBondContact O-OG1 2.85Å |
| 675 | P | 34.4 | Very low | 38.1 | Very low | 67 Ų | 67 | 64.2 Ų | 64.2 | 44% | 0.435 | 36% | 0.364 | S | S | . | . | | | trans | -59.6 | 153.7 | 178.7 | -19.4 | 31.5 | 0 | 0 | 0 | 111.7 | P655 T694 | P655-P675 WeakPolarHBondContact CA-O 3.4Å; P655-P675 WeakPolarHBondContact CB-O 3.32Å; P675-T694 HydrophobicContact CG-CG2 4.21Å |
| 676 | G | 37.8 | Very low | 38.4 | Very low | 32 Ų | 32 | 62 Ų | 62 | 33% | 0.33 | 35% | 0.351 | S | S | . | . | | | trans | -144.7 | 153.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V656 | V656-G676 VanDerWaalsContact O-CA 3.23Å; V656-G676 WeakPolarHBondContact O-CA 3.38Å |
| 677 | I | 42.5 | Very low | 38.6 | Very low | 119 Ų | 119 | 63.9 Ų | 63.9 | 61% | 0.61 | 36% | 0.364 | S | S | * | . | B | Isolated β-bridge | trans | -116.2 | 116.6 | -179.1 | -58.6 | 174.7 | 0 | 0 | 0 | 107.7 | V656 G658 | V656-I677 PolarHBondContact O-N 3.32Å; G658-I677 PolarHBondContact N-O 3.25Å |
| 678 | G | 38.2 | Very low | 38.6 | Very low | 19 Ų | 19 | 61.5 Ų | 61.5 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | S | Bend | trans | 149.3 | 149.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 679 | P | 39.3 | Very low | 38.4 | Very low | 67 Ų | 67 | 59.4 Ų | 59.4 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | | | trans | -71.6 | 149.9 | -179.4 | 29.7 | -35.6 | 0 | 0 | 0 | 112.2 | P659 P681 | P659-P679 HydrophobicContact CB-CG 4.4Å; P679-P681 VanDerWaalsContact O-CD 3.31Å; P679-P681 WeakPolarHBondContact O-CD 3.24Å |
| 680 | V | 38.8 | Very low | 38.7 | Very low | 57 Ų | 57 | 60.1 Ų | 60.1 | 35% | 0.345 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 86.1 | -178.9 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | V682 | V680-V682 HydrophobicContact CG1-CG2 4.41Å; V680-V682 PolarHBondContact O-N 2.8Å |
| 681 | P | 41.8 | Very low | 38.6 | Very low | 39 Ų | 39 | 58.4 Ų | 58.4 | 25% | 0.253 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 112.3 | -179.8 | 30.6 | -32.9 | 0 | 0 | 0 | 111.6 | P661 P679 | P661-P681 HydrophobicContact CB-CG 4.31Å; P679-P681 VanDerWaalsContact O-CD 3.31Å; P679-P681 WeakPolarHBondContact O-CD 3.24Å |
| 682 | V | 41.4 | Very low | 38.7 | Very low | 44 Ų | 44 | 58.3 Ų | 58.3 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 111.7 | 177.5 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | V680 L701 | V680-V682 HydrophobicContact CG1-CG2 4.41Å; V680-V682 PolarHBondContact O-N 2.8Å; V682-L701 PolarHBondContact N-O 3.28Å |
| 683 | K | 38 | Very low | 38.8 | Very low | 126 Ų | 126 | 61.1 Ų | 61.1 | 55% | 0.548 | 35% | 0.352 | S | S | . | . | | | trans | -113.2 | 6.6 | -176.8 | -65.7 | -164.6 | 174.4 | -170.3 | 0 | 114.9 | K704 | K683-K704 WeakPolarHBondContact O-CD 3.36Å; K683-K704 VanDerWaalsContact O-CE 3.31Å; K683-K704 WeakPolarHBondContact O-CE 3.12Å |
| 684 | A | 38.2 | Very low | 38.7 | Very low | 13 Ų | 13 | 56.6 Ų | 56.6 | 11% | 0.107 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -117.2 | 152.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | C664 | C664-A684 VanDerWaalsContact C-CB 3.41Å; C664-A684 WeakPolarHBondContact O-CB 3.43Å |
| 685 | P | 36.3 | Very low | 38.7 | Very low | 70 Ų | 70 | 54.3 Ų | 54.3 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | | | trans | -69.1 | 145.1 | 172.7 | 31.3 | -34.4 | 0 | 0 | 0 | 110.6 | P665 | P665-P685 WeakPolarHBondContact CA-O 3.48Š|
| 686 | A | 42.9 | Very low | 38.8 | Very low | 20 Ų | 20 | 53 Ų | 53 | 17% | 0.165 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -125.6 | 134.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S707 | A686-S707 PolarHBondContact O-N 3.39Å |
| 687 | T | 44.3 | Very low | 39 | Very low | 81 Ų | 81 | 54.8 Ų | 54.8 | 50% | 0.497 | 33% | 0.325 | S | S | . | . | | | trans | -129.1 | 86.5 | 175.4 | 52.1 | 0 | 0 | 0 | 0 | 107.6 | V666 T667 | V666-T687 PolarHBondContact O-N 3.19Å; T667-T687 CarbonylContact C-O 3.52Å; T667-T687 VanDerWaalsContact C-O 3.31Å; T667-T687 WeakPolarHBondContact CA-O 3.39Å |
| 688 | G | 42.7 | Very low | 38.7 | Very low | 18 Ų | 18 | 54.1 Ų | 54.1 | 19% | 0.186 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 165.4 | 167.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 689 | L | 35.1 | Very low | 38.5 | Very low | 64 Ų | 64 | 55.9 Ų | 55.9 | 34% | 0.335 | 32% | 0.324 | S | S | . | . | | | trans | -84.4 | 120.9 | -176.6 | -114.8 | 167.4 | 0 | 0 | 0 | 112 | L669 V670 T709 P711 | L669-L689 WeakPolarHBondContact CA-O 3.47Å; L669-L689 HydrophobicContact CD1-CB 3.84Å; L669-L689 HydrophobicContact CD1-CD1 4.42Å; L669-L689 HydrophobicContact CG-CB 4.3Å; V670-L689 PolarHBondContact N-O 3.37Å; L689-T709 WeakPolarHBondContact CD2-O 3.41Å; L689-P711 HydrophobicContact CD2-CG 3.59Å |
| 690 | V | 39.2 | Very low | 38.4 | Very low | 64 Ų | 64 | 55.3 Ų | 55.3 | 39% | 0.388 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117.5 | 175.3 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | P711 | V690-P711 WeakPolarHBondContact O-CD 3.4Å |
| 691 | S | 37.3 | Very low | 38.3 | Very low | 14 Ų | 14 | 55.3 Ų | 55.3 | 10% | 0.098 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 111.6 | -179.2 | -165.1 | 0 | 0 | 0 | 0 | 113 | V670 | V670-S691 PolarHBondContact O-N 3.48Å |
| 692 | T | 37.6 | Very low | 37.9 | Very low | 42 Ų | 42 | 54.8 Ų | 54.8 | 26% | 0.258 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 134.1 | 170 | 51.3 | 0 | 0 | 0 | 0 | 110 | | |
| 693 | Q | 39.8 | Very low | 37.7 | Very low | 101 Ų | 101 | 56.2 Ų | 56.2 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | | | trans | -115.7 | 14.9 | 179.6 | -66.2 | -170.5 | 43.8 | 0 | 0 | 113.4 | | |
| 694 | T | 33.8 | Very low | 37.6 | Very low | 20 Ų | 20 | 55 Ų | 55 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -143.4 | 143.7 | -178.3 | 54 | 0 | 0 | 0 | 0 | 110.9 | K674 P675 S714 | K674-T694 PolarHBondContact O-OG1 2.85Å; P675-T694 HydrophobicContact CG-CG2 4.21Å; T694-S714 VanDerWaalsContact C-OG 3.25Å; T694-S714 PolarHBondContact O-OG 3.19Å; T694-S714 VanDerWaalsContact O-OG 3.14Å |
| 695 | P | 34.5 | Very low | 37.5 | Very low | 63 Ų | 63 | 58 Ų | 58 | 41% | 0.409 | 33% | 0.33 | S | S | . | . | | | trans | -58.2 | 144.9 | -177.5 | 25.9 | -35.5 | 0 | 0 | 0 | 111.5 | | |
| 696 | V | 36 | Very low | 37.7 | Very low | 39 Ų | 39 | 56.2 Ų | 56.2 | 24% | 0.236 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -119.1 | 126.8 | 175 | -179 | 0 | 0 | 0 | 0 | 106.2 | | |
| 697 | T | 40.9 | Very low | 37.6 | Very low | 71 Ų | 71 | 58.8 Ų | 58.8 | 44% | 0.436 | 33% | 0.334 | S | S | . | . | | | trans | -93.6 | -2.4 | -171.5 | 44.9 | 0 | 0 | 0 | 0 | 114.6 | T717 | T697-T717 WeakPolarHBondContact CA-OG1 3.13Š|
| 698 | E | 36.4 | Very low | 37.4 | Very low | 104 Ų | 104 | 56.1 Ų | 56.1 | 49% | 0.486 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -146.6 | 165.3 | -169.2 | -98 | -61.5 | 163.1 | 0 | 0 | 113.8 | | |
| 699 | L | 33.8 | Very low | 37.2 | Very low | 57 Ų | 57 | 58.3 Ų | 58.3 | 30% | 0.298 | 33% | 0.332 | S | S | . | . | | | trans | -49.1 | 136.2 | -165.1 | -170 | 74.1 | 0 | 0 | 0 | 116.3 | L701 L719 | L699-L701 HydrophobicContact CD2-CD1 3.74Å; L699-L701 HydrophobicContact CD2-CD2 4.35Å; L699-L701 HydrophobicContact CD2-CG 3.83Å; L699-L701 HydrophobicContact CG-CG 4.15Å; L699-L719 HydrophobicContact CD1-CB 4.01Å; L699-L719 HydrophobicContact CD1-CD2 4.19Å; L699-L719 HydrophobicContact CD1-CG 4.48Å |
| 700 | V | 37.8 | Very low | 37.4 | Very low | 55 Ų | 55 | 57 Ų | 57 | 33% | 0.333 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124.9 | 170.2 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 701 | L | 35.6 | Very low | 37.4 | Very low | 56 Ų | 56 | 55.2 Ų | 55.2 | 29% | 0.293 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 123.6 | -179.5 | -77.8 | 170.2 | 0 | 0 | 0 | 112.3 | V682 L699 | V682-L701 PolarHBondContact N-O 3.28Å; L699-L701 HydrophobicContact CD2-CD1 3.74Å; L699-L701 HydrophobicContact CD2-CD2 4.35Å; L699-L701 HydrophobicContact CD2-CG 3.83Å; L699-L701 HydrophobicContact CG-CG 4.15Å |
| 702 | T | 35.4 | Very low | 37.6 | Very low | 28 Ų | 28 | 56 Ų | 56 | 17% | 0.172 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 116.2 | 175.1 | 59.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 703 | H | 36.2 | Very low | 37.6 | Very low | 75 Ų | 75 | 60.5 Ų | 60.5 | 35% | 0.347 | 34% | 0.337 | S | S | . | . | | | trans | -107.6 | 16.1 | -178.2 | -61 | -81.1 | 0 | 0 | 0 | 114.3 | Q723 | H703-Q723 PolarHBondContact ND1-OE1 2.62Š|
| 704 | K | 36.4 | Very low | 37.6 | Very low | 99 Ų | 99 | 56.3 Ų | 56.3 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -146.4 | 150 | 176.2 | -70.3 | -166.1 | -177.8 | -60 | 0 | 109.9 | K683 | K683-K704 WeakPolarHBondContact O-CD 3.36Å; K683-K704 VanDerWaalsContact O-CE 3.31Å; K683-K704 WeakPolarHBondContact O-CE 3.12Å |
| 705 | P | 35.9 | Very low | 37.7 | Very low | 78 Ų | 78 | 58.1 Ų | 58.1 | 51% | 0.506 | 33% | 0.331 | S | S | . | . | | | trans | -63.5 | 142.6 | -178.9 | 25.9 | -35.1 | 0 | 0 | 0 | 112 | | |
| 706 | V | 41 | Very low | 37.9 | Very low | 31 Ų | 31 | 56.4 Ų | 56.4 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -106.8 | 137.8 | 176.7 | 178.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 707 | S | 40.8 | Very low | 38.2 | Very low | 74 Ų | 74 | 58 Ų | 58 | 52% | 0.517 | 33% | 0.329 | S | S | . | . | | | trans | -124.8 | 87.1 | 177.9 | -162.9 | 0 | 0 | 0 | 0 | 109.5 | A686 | A686-S707 PolarHBondContact O-N 3.39Š|
| 708 | G | 39.6 | Very low | 38 | Very low | 26 Ų | 26 | 59.6 Ų | 59.6 | 27% | 0.268 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 168.4 | 171.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 709 | T | 37.4 | Very low | 38 | Very low | 63 Ų | 63 | 57.1 Ų | 57.1 | 39% | 0.387 | 32% | 0.321 | S | S | . | . | | | trans | -87.9 | 145.3 | 173.5 | 45.6 | 0 | 0 | 0 | 0 | 111.3 | L689 P711 L729 | L689-T709 WeakPolarHBondContact CD2-O 3.41Å; T709-P711 WeakPolarHBondContact O-CD 3.28Å; T709-L729 WeakPolarHBondContact CA-O 3.27Å; T709-L729 HydrophobicContact CG2-CB 4.39Å |
| 710 | V | 41 | Very low | 38.3 | Very low | 37 Ų | 37 | 56.7 Ų | 56.7 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 92.8 | 180 | -173.7 | 0 | 0 | 0 | 0 | 109.9 | V712 L729 L731 | V710-V712 HydrophobicContact CG1-CG2 4.13Å; V710-L729 PolarHBondContact N-O 3.38Å; V710-L731 PolarHBondContact O-N 2.68Å |
| 711 | P | 39.2 | Very low | 38.1 | Very low | 26 Ų | 26 | 55.4 Ų | 55.4 | 17% | 0.169 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 105.9 | 176.4 | 31.6 | -34.1 | 0 | 0 | 0 | 111.9 | L689 V690 T709 L731 | L689-P711 HydrophobicContact CD2-CG 3.59Å; V690-P711 WeakPolarHBondContact O-CD 3.4Å; T709-P711 WeakPolarHBondContact O-CD 3.28Å; P711-L731 WeakPolarHBondContact CA-O 3.43Å |
| 712 | V | 41.5 | Very low | 38.1 | Very low | 30 Ų | 30 | 54.5 Ų | 54.5 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 113.4 | 176.6 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | V710 V716 L731 T732 | V710-V712 HydrophobicContact CG1-CG2 4.13Å; V712-V716 HydrophobicContact CG1-CG2 4.14Å; V712-L731 PolarHBondContact N-O 2.9Å; V712-T732 HydrophobicContact CB-CG2 4.43Å |
| 713 | K | 36.3 | Very low | 38.1 | Very low | 138 Ų | 138 | 59.4 Ų | 59.4 | 60% | 0.6 | 33% | 0.332 | S | S | * | . | | | trans | -103.7 | 8.8 | -172.2 | -67.9 | -173.2 | 174.8 | -177.7 | 0 | 114.8 | | |
| 714 | S | 39.8 | Very low | 37.9 | Very low | 13 Ų | 13 | 57.6 Ų | 57.6 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -133.3 | 152.3 | 179.6 | 51.6 | 0 | 0 | 0 | 0 | 110.8 | T694 | T694-S714 VanDerWaalsContact C-OG 3.25Å; T694-S714 PolarHBondContact O-OG 3.19Å; T694-S714 VanDerWaalsContact O-OG 3.14Å |
| 715 | P | 36.8 | Very low | 37.8 | Very low | 58 Ų | 58 | 57.7 Ų | 57.7 | 38% | 0.377 | 34% | 0.337 | S | S | . | . | | | trans | -61.6 | 149.8 | 173.4 | 28.5 | -35.4 | 0 | 0 | 0 | 111.1 | | |
| 716 | V | 37.9 | Very low | 37.9 | Very low | 27 Ų | 27 | 57.8 Ų | 57.8 | 16% | 0.164 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -120.2 | 128 | 174.4 | -179.6 | 0 | 0 | 0 | 0 | 106.7 | V712 E718 V720 | V712-V716 HydrophobicContact CG1-CG2 4.14Å; V716-E718 WeakPolarHBondContact CG1-O 3.11Å; V716-V720 HydrophobicContact CG1-CG2 4.31Å |
| 717 | T | 42.3 | Very low | 37.8 | Very low | 72 Ų | 72 | 65.2 Ų | 65.2 | 44% | 0.442 | 36% | 0.362 | S | S | . | . | | | trans | -96.3 | -12.8 | -170.7 | 48.9 | 0 | 0 | 0 | 0 | 114.6 | T697 | T697-T717 WeakPolarHBondContact CA-OG1 3.13Š|
| 718 | E | 37.9 | Very low | 37.6 | Very low | 104 Ų | 104 | 63.7 Ų | 63.7 | 49% | 0.486 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -141.8 | 170.9 | -178 | -98.9 | -56.3 | 155 | 0 | 0 | 113.3 | V716 | V716-E718 WeakPolarHBondContact CG1-O 3.11Š|
| 719 | L | 35.5 | Very low | 37.3 | Very low | 52 Ų | 52 | 68.4 Ų | 68.4 | 27% | 0.272 | 38% | 0.376 | S | S | . | . | | | trans | -41.7 | 136.6 | -166.8 | -167 | 77.2 | 0 | 0 | 0 | 116.2 | L699 P739 | L699-L719 HydrophobicContact CD1-CB 4.01Å; L699-L719 HydrophobicContact CD1-CD2 4.19Å; L699-L719 HydrophobicContact CD1-CG 4.48Å; L719-P739 HydrophobicContact CD1-CG 3.84Å; L719-P739 WeakPolarHBondContact CD1-O 3.47Å |
| 720 | V | 39.1 | Very low | 37.3 | Very low | 48 Ų | 48 | 69.1 Ų | 69.1 | 29% | 0.291 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.1 | 167.9 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | V716 | V716-V720 HydrophobicContact CG1-CG2 4.31Å |
| 721 | S | 33.8 | Very low | 36.7 | Very low | 29 Ų | 29 | 72.5 Ų | 72.5 | 20% | 0.203 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 121.4 | -177.5 | -171.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 722 | T | 36.4 | Very low | 36.4 | Very low | 37 Ų | 37 | 75.1 Ų | 75.1 | 23% | 0.227 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 106 | -180 | 47.6 | 0 | 0 | 0 | 0 | 111 | T724 M726 | T722-T724 PolarHBondContact O-N 2.66Å; T722-M726 HydrophobicContact CG2-SD 4.26Å |
| 723 | Q | 36.2 | Very low | 36.1 | Very low | 130 Ų | 130 | 81.7 Ų | 81.7 | 61% | 0.607 | 44% | 0.441 | S | S | * | . | | | trans | -88.2 | 10.9 | -174.3 | -69.9 | -175.4 | -19.8 | 0 | 0 | 115.1 | H703 | H703-Q723 PolarHBondContact ND1-OE1 2.62Š|
| 724 | T | 31.4 | Very low | 35.9 | Very low | 37 Ų | 37 | 81.9 Ų | 81.9 | 23% | 0.227 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -145.2 | 144.6 | -178 | 57.6 | 0 | 0 | 0 | 0 | 112.1 | T722 | T722-T724 PolarHBondContact O-N 2.66Š|
| 725 | P | 33.6 | Very low | 35.5 | Very low | 101 Ų | 101 | 86.6 Ų | 86.6 | 66% | 0.656 | 47% | 0.472 | S | S | * | . | | | trans | -61 | 138 | -178.3 | 25.3 | -35.1 | 0 | 0 | 0 | 112.4 | | |
| 726 | M | 38 | Very low | 35.6 | Very low | 80 Ų | 80 | 86.6 Ų | 86.6 | 39% | 0.394 | 47% | 0.471 | S | S | . | . | | | trans | -102.5 | 149.3 | -175.7 | -55 | -174 | 83.9 | 0 | 0 | 111.5 | T722 V730 | T722-M726 HydrophobicContact CG2-SD 4.26Å; M726-V730 HydrophobicContact CE-CG2 4.41Å |
| 727 | K | 38.3 | Very low | 35.6 | Very low | 188 Ų | 188 | 90.9 Ų | 90.9 | 82% | 0.817 | 50% | 0.497 | S | S | * | . | | | trans | -124.7 | 71.4 | 166.8 | -71.9 | -171.1 | 176.5 | -175.3 | 0 | 109.6 | | |
| 728 | G | 38.6 | Very low | 35.3 | Very low | 42 Ų | 42 | 88.3 Ų | 88.3 | 43% | 0.433 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -178.2 | 157 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 729 | L | 31.8 | Very low | 35.1 | Very low | 124 Ų | 124 | 87.5 Ų | 87.5 | 65% | 0.649 | 49% | 0.488 | S | S | * | . | | | trans | -85.1 | 131.5 | 175 | -80.2 | 159.1 | 0 | 0 | 0 | 110.8 | T709 V710 | T709-L729 WeakPolarHBondContact CA-O 3.27Å; T709-L729 HydrophobicContact CG2-CB 4.39Å; V710-L729 PolarHBondContact N-O 3.38Å |
| 730 | V | 37.1 | Very low | 35.1 | Very low | 78 Ų | 78 | 89.6 Ų | 89.6 | 47% | 0.473 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 131.1 | 165.4 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | M726 | M726-V730 HydrophobicContact CE-CG2 4.41Å |
| 731 | L | 30.3 | Very low | 34.7 | Very low | 109 Ų | 109 | 92.6 Ų | 92.6 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 108.1 | 179.4 | -70 | 173.7 | 0 | 0 | 0 | 109.7 | V710 P711 V712 | V710-L731 PolarHBondContact O-N 2.68Å; P711-L731 WeakPolarHBondContact CA-O 3.43Å; V712-L731 PolarHBondContact N-O 2.9Å |
| 732 | T | 32 | Very low | 34.6 | Very low | 81 Ų | 81 | 94.8 Ų | 94.8 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 140.9 | 170 | 51 | 0 | 0 | 0 | 0 | 109.3 | V712 V736 | V712-T732 HydrophobicContact CB-CG2 4.43Å; T732-V736 HydrophobicContact CG2-CG2 4.2Å |
| 733 | H | 34.4 | Very low | 34.3 | Very low | 168 Ų | 168 | 101.5 Ų | 101.5 | 78% | 0.778 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -119 | 11.6 | -177.2 | -151.8 | -58.5 | 0 | 0 | 0 | 113.2 | | |
| 734 | K | 33.6 | Very low | 34 | Very low | 141 Ų | 141 | 99.5 Ų | 99.5 | 61% | 0.613 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -150.5 | 156.7 | 172.5 | -74.3 | -154.8 | 173.4 | -160.3 | 0 | 108.4 | | |
| 735 | P | 30.7 | Very low | 33.9 | Very low | 112 Ų | 112 | 103.9 Ų | 103.9 | 73% | 0.727 | 60% | 0.595 | S | S | * | * | | | trans | -60.6 | 152.3 | -179.6 | 24.3 | -34.8 | 0 | 0 | 0 | 112.8 | | |
| 736 | V | 38.1 | Very low | 33.5 | Very low | 59 Ų | 59 | 103.8 Ų | 103.8 | 36% | 0.358 | 60% | 0.603 | S | S | . | * | | | trans | -103.8 | 131.9 | 173.1 | 179 | 0 | 0 | 0 | 0 | 107.5 | T732 V740 | T732-V736 HydrophobicContact CG2-CG2 4.2Å; V736-V740 HydrophobicContact CG1-CG2 4.5Å |
| 737 | T | 37.9 | Very low | 32.9 | Very low | 117 Ų | 117 | 107 Ų | 107 | 72% | 0.718 | 63% | 0.627 | S | S | * | * | | | trans | -98.3 | -1.3 | -171.4 | -27.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 738 | G | 37.1 | Very low | 32.3 | Very low | 17 Ų | 17 | 101.2 Ų | 101.2 | 18% | 0.175 | 62% | 0.621 | C | S | . | * | S | Bend | trans | -121.6 | 160.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 739 | P | 33.8 | Very low | 32 | Very low | 87 Ų | 87 | 105.6 Ų | 105.6 | 57% | 0.565 | 64% | 0.642 | S | S | * | * | | | trans | -68.3 | 142.4 | -176.7 | 26 | -31.7 | 0 | 0 | 0 | 112.4 | L719 | L719-P739 HydrophobicContact CD1-CG 3.84Å; L719-P739 WeakPolarHBondContact CD1-O 3.47Å |
| 740 | V | 34.8 | Very low | 31.8 | Very low | 97 Ų | 97 | 105.9 Ų | 105.9 | 59% | 0.588 | 65% | 0.648 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.7 | 111.3 | 176.4 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | V736 | V736-V740 HydrophobicContact CG1-CG2 4.5Å |
| 741 | L | 30.6 | Very low | 31.4 | Very low | 110 Ų | 110 | 107.6 Ų | 107.6 | 58% | 0.576 | 66% | 0.661 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.9 | 101.4 | 177.9 | -70 | 176.2 | 0 | 0 | 0 | 110.7 | | |
| 742 | A | 32 | Very low | 31.1 | Very low | 75 Ų | 75 | 109.8 Ų | 109.8 | 62% | 0.62 | 67% | 0.668 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 126.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 743 | Q | 29.8 | Very low | 30.8 | Very low | 179 Ų | 179 | 112.2 Ų | 112.2 | 84% | 0.836 | 68% | 0.683 | S | S | * | * | | | trans | -115 | 111.3 | 172.3 | -68.8 | -174 | -1.2 | 0 | 0 | 110.1 | | |
| 744 | S | 30.5 | Very low | 30.4 | Very low | 87 Ų | 87 | 111.5 Ų | 111.5 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | | | trans | -158.5 | 129 | 169.5 | 56.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 745 | P | 29.5 | Very low | 30 | Very low | 129 Ų | 129 | 110.3 Ų | 110.3 | 84% | 0.838 | 69% | 0.689 | S | S | * | * | | | trans | -70.5 | 148.5 | 172.1 | 30.6 | -34.5 | 0 | 0 | 0 | 111.2 | | |
| 746 | A | 24.7 | Very low | 29.8 | Very low | 100 Ų | 100 | 114.2 Ų | 114.2 | 83% | 0.826 | 70% | 0.698 | S | S | * | * | | | trans | -88.2 | 146.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 747 | T | 25.7 | Very low | 29.1 | Very low | 147 Ų | 147 | 122.6 Ų | 122.6 | 90% | 0.902 | 72% | 0.723 | S | S | * | * | | | trans | -159 | 126.7 | 165.6 | -36.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 748 | G | 25.6 | Very low | 28.4 | Very low | 67 Ų | 67 | 125 Ų | 125 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 117.3 | 145.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 749 | P | 32.9 | Very low | 28.3 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 153.8 | -163.7 | 33.2 | -36.9 | 0 | 0 | 0 | 114.9 | | |
| 750 | V | 26 | Very low | 27.8 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 132.2 | 172.1 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 751 | P | 29.6 | Very low | 27.5 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 121.2 | 165.8 | 30.6 | -31.2 | 0 | 0 | 0 | 110 | | |
| 752 | E | 24.2 | Very low | 27.2 | Very low | 155 Ų | 155 | 138 Ų | 138 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 131.3 | -179.4 | -172.2 | 177.4 | 104.9 | 0 | 0 | 111.6 | Q754 | E752-Q754 HydrophobicContact CG-CG 4.44Å; E752-Q754 PolarHBondContact OE1-NE2 3.19Å |
| 753 | V | 25 | Very low | 27 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | | | trans | -120.1 | 118.4 | 167.9 | 174.3 | 0 | 0 | 0 | 0 | 108.3 | S755 | V753-S755 PolarHBondContact O-N 2.86Š|
| 754 | Q | 25.9 | Very low | 26.7 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 71% | 0.71 | 79% | 0.785 | S | S | * | * | | | trans | -83.1 | 109.7 | -173.4 | -64.4 | 172.1 | -11 | 0 | 0 | 110.9 | E752 | E752-Q754 HydrophobicContact CG-CG 4.44Å; E752-Q754 PolarHBondContact OE1-NE2 3.19Å |
| 755 | S | 25.7 | Very low | 26.5 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | trans | -90.1 | 116.1 | 161.1 | -73.5 | 0 | 0 | 0 | 0 | 109.2 | V753 | V753-S755 PolarHBondContact O-N 2.86Š|
| 756 | Q | 25.5 | Very low | 26.3 | Very low | 195 Ų | 195 | 144 Ų | 144 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | | | trans | -69.7 | 149 | 177.3 | -63.1 | -174 | 13.1 | 0 | 0 | 111.3 | | |
| 757 | R | 24.9 | Very low | 26.3 | Very low | 235 Ų | 235 | 143.6 Ų | 143.6 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | | | trans | -126.4 | 123.6 | -174.3 | 177.3 | -167.9 | -166.8 | 172.2 | 5.9 | 109 | | |
| 758 | L | 23.2 | Very low | 26.2 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | | | trans | -154.6 | 165.2 | 167.1 | -127 | 75.4 | 0 | 0 | 0 | 108.2 | | |
| 759 | P | 33.9 | Very low | 26.4 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | | | | -132.4 | 167.7 | -99.9 | 40.7 | -25.2 | 0 | 0 | 0 | 115.4 | | |
| 760 | E | 24 | Very low | 26 | Very low | 192 Ų | 192 | 147.3 Ų | 147.3 | 90% | 0.897 | 76% | 0.756 | S | S | * | * | | | trans | -104.8 | 143.3 | 162.5 | -88.8 | 165.6 | 78.6 | 0 | 0 | 111 | | |
| 761 | P | 28.8 | Very low | 26.2 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | | | trans | -87.8 | 141.2 | 178.5 | 34.1 | -33.5 | 0 | 0 | 0 | 113.5 | | |
| 762 | Q | 23.7 | Very low | 26 | Very low | 157 Ų | 157 | 150.6 Ų | 150.6 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | trans | -71.7 | 171.3 | 159.9 | -62.2 | 168.9 | -166.7 | 0 | 0 | 110 | | |
| 763 | R | 27.9 | Very low | 26.5 | Very low | 191 Ų | 191 | 148.2 Ų | 148.2 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | | | cis | -155.2 | 166.3 | 10.3 | -148.7 | -174.5 | -103.4 | 170.3 | -9.1 | 108.5 | | |
| 764 | D | 22.7 | Very low | 26.7 | Very low | 117 Ų | 117 | 149.3 Ų | 149.3 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | | | | 146.5 | 158 | 93.7 | -97.9 | -33.4 | 0 | 0 | 0 | 106.9 | | |
| 765 | L | 26.8 | Very low | 27 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 63% | 0.634 | 75% | 0.753 | S | S | * | * | | | cis | -166.2 | 149.2 | -19.4 | -127.2 | 172.5 | 0 | 0 | 0 | 108.2 | | |
| 766 | Q | 25.1 | Very low | 27.3 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | | | trans | 62.9 | 156.8 | 158 | -87.4 | 158 | -20.3 | 0 | 0 | 118.3 | | |
| 767 | S | 24.2 | Very low | 27.7 | Very low | 91 Ų | 91 | 144.7 Ų | 144.7 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | | | cis | -161.3 | 159.7 | -14.8 | -145.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 768 | N | 25.3 | Very low | 28.2 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | | | trans | 71.8 | 153.8 | 154.4 | -61.5 | 10.4 | 0 | 0 | 0 | 121.6 | | |
| 769 | Q | 28.5 | Very low | 28.6 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | | | trans | 59.9 | 109 | 168.3 | -90.7 | 40.2 | 87.3 | 0 | 0 | 114.8 | | |
| 770 | E | 25.8 | Very low | 28.6 | Very low | 151 Ų | 151 | 135 Ų | 135 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | | | cis | 47.1 | 113.5 | 27.3 | 54.3 | -165 | 121 | 0 | 0 | 112.4 | | |
| 771 | D | 28.7 | Very low | 29.2 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | | | cis | -144.4 | 167.5 | 44.3 | -108.7 | -55.7 | 0 | 0 | 0 | 118 | | |
| 772 | F | 27 | Very low | 29.4 | Very low | 177 Ų | 177 | 126.7 Ų | 126.7 | 78% | 0.776 | 65% | 0.651 | S | S | * | * | | | trans | -11 | 143.8 | 151.9 | -92.2 | -127 | 0 | 0 | 0 | 118.9 | | |
| 773 | C | 34 | Very low | 29.9 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 70% | 0.703 | 65% | 0.65 | S | S | * | * | | | cis | 69.4 | 102.1 | 43.9 | -62.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 774 | E | 30.1 | Very low | 30.4 | Very low | 157 Ų | 157 | 122.4 Ų | 122.4 | 73% | 0.734 | 65% | 0.651 | S | S | * | * | | | trans | -148.6 | 134.4 | 155.5 | -119.8 | 157.5 | 179.9 | 0 | 0 | 108.2 | M776 | E774-M776 HydrophobicContact CG-CE 4.18Å; E774-M776 WeakPolarHBondContact OE1-CE 3.45Å |
| 775 | N | 31.5 | Very low | 30.9 | Very low | 142 Ų | 142 | 120.9 Ų | 120.9 | 76% | 0.759 | 66% | 0.655 | S | S | * | * | | | cis | 65.5 | 141.9 | 38.1 | -148.7 | 26.9 | 0 | 0 | 0 | 108.9 | | |
| 776 | M | 31.1 | Very low | 31 | Very low | 124 Ų | 124 | 122.9 Ų | 122.9 | 61% | 0.611 | 67% | 0.665 | S | S | * | * | | | cis | -137 | -172.3 | 25.1 | -68.1 | 163.6 | -95.6 | 0 | 0 | 110.3 | E774 | E774-M776 HydrophobicContact CG-CE 4.18Å; E774-M776 WeakPolarHBondContact OE1-CE 3.45Å |
| 777 | S | 34 | Very low | 31.3 | Very low | 99 Ų | 99 | 120 Ų | 120 | 69% | 0.692 | 66% | 0.663 | S | S | * | * | | | | 165.9 | 151.3 | 79.9 | -85.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 778 | T | 35.4 | Very low | 31.6 | Very low | 121 Ų | 121 | 120.3 Ų | 120.3 | 74% | 0.742 | 67% | 0.666 | S | S | * | * | | | cis | -163.8 | 179.1 | 4.4 | 12.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 779 | Q | 32.1 | Very low | 31.7 | Very low | 151 Ų | 151 | 122.4 Ų | 122.4 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | | | trans | 101 | 137.6 | 134.9 | -145.6 | 163.6 | 2.6 | 0 | 0 | 120.4 | R323 | R323-Q779 PolarHBondContact NH1-O 3.03Š|
| 780 | S | 34.6 | Very low | 31.6 | Very low | 36 Ų | 36 | 120.2 Ų | 120.2 | 25% | 0.252 | 68% | 0.677 | S | S | . | * | | | cis | -168.5 | 169.1 | -39.1 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | P324 | P324-S780 WeakPolarHBondContact CD-O 3.2Å; P324-S780 VanDerWaalsContact CG-C 3.42Å; P324-S780 WeakPolarHBondContact CG-O 3.49Å |
| 781 | D | 36.3 | Very low | 31.7 | Very low | 55 Ų | 55 | 117.2 Ų | 117.2 | 29% | 0.294 | 67% | 0.673 | S | S | . | * | | | trans | 93.9 | 109.3 | 154.1 | -45.6 | -31.1 | 0 | 0 | 0 | 126.4 | P324 G325 I326 | P324-D781 VanDerWaalsContact C-C 3.45Å; P324-D781 VanDerWaalsContact CD-C 3.5Å; P324-D781 WeakPolarHBondContact CD-O 3.41Å; P324-D781 VanDerWaalsContact N-O 3.08Å; G325-D781 CarbonylContact O-C 3.54Å; G325-D781 WeakPolarHBondContact O-CA 3.5Å; I326-D781 WeakPolarHBondContact CB-OD1 3.47Å; I326-D781 WeakPolarHBondContact CD1-OD1 3.48Å; I326-D781 HydrophobicContact CG1-CB 4.4Å; I326-D781 WeakPolarHBondContact CG1-OD1 3.49Å; I326-D781 WeakPolarHBondContact CG2-OD1 3.38Å |
| 782 | N | 32.8 | Very low | 31.7 | Very low | 88 Ų | 88 | 119.6 Ų | 119.6 | 47% | 0.471 | 68% | 0.68 | S | S | . | * | | | trans | 89.3 | 131.4 | 163.1 | -48.2 | -73.5 | 0 | 0 | 0 | 120.5 | P324 G325 | P324-N782 CarbonylContact C-O 3.37Å; P324-N782 CarbonylContact O-C 3.41Å; G325-N782 PolarHBondContact O-N 2.91Å |
| 783 | Q | 34.8 | Very low | 31.8 | Very low | 151 Ų | 151 | 116.5 Ų | 116.5 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | | | cis | -171.6 | 151.9 | -7.8 | -121.5 | 177.3 | 74 | 0 | 0 | 112.3 | | |
| 784 | S | 36.8 | Very low | 32.6 | Very low | 107 Ų | 107 | 116.9 Ų | 116.9 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | | | trans | 50.8 | 153.7 | 145.5 | -57.2 | 0 | 0 | 0 | 0 | 123.5 | | |
| 785 | A | 33.7 | Very low | 32.6 | Very low | 85 Ų | 85 | 115.4 Ų | 115.4 | 70% | 0.702 | 69% | 0.685 | S | S | * | * | | | cis | -168.6 | 135.5 | -24.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 786 | L | 29.9 | Very low | 32.3 | Very low | 163 Ų | 163 | 113.4 Ų | 113.4 | 85% | 0.853 | 68% | 0.683 | S | S | * | * | | | trans | 45.8 | 132.9 | 147.6 | -55.3 | 178 | 0 | 0 | 0 | 124.3 | | |
| 787 | S | 30.7 | Very low | 32.2 | Very low | 107 Ų | 107 | 113.1 Ų | 113.1 | 75% | 0.748 | 69% | 0.693 | S | S | * | * | | | trans | 102.5 | 144.3 | 143.5 | -48.8 | 0 | 0 | 0 | 0 | 119.1 | | |
| 788 | S | 31.5 | Very low | 32.9 | Very low | 99 Ų | 99 | 113.2 Ų | 113.2 | 69% | 0.692 | 69% | 0.691 | S | S | * | * | | | cis | -170.7 | 147.4 | -20.3 | -102 | 0 | 0 | 0 | 0 | 112 | | |
| 789 | L | 26.2 | Very low | 32.5 | Very low | 168 Ų | 168 | 116.3 Ų | 116.3 | 88% | 0.88 | 70% | 0.695 | S | S | * | * | | | trans | 61.6 | 131.2 | 147.3 | -64.3 | 170.2 | 0 | 0 | 0 | 122.4 | | |
| 790 | S | 26.6 | Very low | 32.3 | Very low | 103 Ų | 103 | 116.5 Ų | 116.5 | 72% | 0.72 | 70% | 0.699 | S | S | * | * | | | trans | 87.1 | 118.2 | 136.9 | -141.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 791 | S | 28.2 | Very low | 31.8 | Very low | 88 Ų | 88 | 118.7 Ų | 118.7 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | | | | 58.7 | 122.1 | 129.2 | -51.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 792 | Q | 28.8 | Very low | 31.3 | Very low | 186 Ų | 186 | 122 Ų | 122 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | | | | -162.5 | 168.9 | 62.2 | -112.6 | 126.9 | 132.9 | 0 | 0 | 115.7 | | |
| 793 | S | 29.7 | Very low | 31.2 | Very low | 113 Ų | 113 | 122.6 Ų | 122.6 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | -87.4 | -177.5 | 173 | -41.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 794 | P | 49.8 | Very low | 31.1 | Very low | 111 Ų | 111 | 119.8 Ų | 119.8 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | | | trans | -89.6 | 169.8 | -164.2 | 38.1 | -38 | 0 | 0 | 0 | 114.5 | | |
| 795 | P | 30.9 | Very low | 30.8 | Very low | 126 Ų | 126 | 123.4 Ų | 123.4 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | -96.1 | 146.1 | 152.9 | 35.6 | -29 | 0 | 0 | 0 | 111.9 | | |
| 796 | S | 24.5 | Very low | 30.7 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | -118.3 | 147.8 | 169.7 | -61.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 797 | S | 29.9 | Very low | 31.8 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | 65 | -178.3 | 162.6 | -59.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 798 | P | 48.9 | Very low | 33.1 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | | | cis | -131.2 | -171 | -2.3 | 19.3 | 7.8 | 0 | 0 | 0 | 115.5 | | |
| 799 | F | 25 | Very low | 34.1 | Very low | 186 Ų | 186 | 124.2 Ų | 124.2 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | | | trans | 99.3 | 131.5 | 148.4 | -80.1 | -65.3 | 0 | 0 | 0 | 122.3 | | |
| 800 | I | 28.6 | Very low | 34.3 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | | | trans | 57.6 | 114.5 | 161.2 | -51.5 | 178.9 | 0 | 0 | 0 | 116.4 | | |
| 801 | A | 24.2 | Very low | 34.4 | Very low | 82 Ų | 82 | 125.7 Ų | 125.7 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | cis | 108.7 | 145.7 | 14.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 802 | S | 26.2 | Very low | 35.1 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | | | trans | 70.6 | 149.3 | 176.4 | -55.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 803 | S | 30.9 | Very low | 35 | Very low | 100 Ų | 100 | 122.8 Ų | 122.8 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | cis | -144.7 | 157 | 8.4 | -169.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 804 | S | 31.9 | Very low | 35 | Very low | 93 Ų | 93 | 127 Ų | 127 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | | | trans | 42.2 | 141.2 | 150.2 | 49.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 805 | E | 30.6 | Very low | 33.9 | Very low | 183 Ų | 183 | 126.5 Ų | 126.5 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | | | cis | -152.9 | 162.8 | 26.6 | -156.7 | 141.8 | 88.2 | 0 | 0 | 113.7 | | |
| 806 | N | 32.3 | Very low | 33.8 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | | | trans | -155.7 | 152.6 | 176.3 | -149.9 | 5.3 | 0 | 0 | 0 | 104.7 | | |
| 807 | P | 53.5 | Low | 34 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | | -148.9 | -146.4 | 65.3 | 42.2 | -17.5 | 0 | 0 | 0 | 112.8 | | |
| 808 | P | 57 | Low | 34.4 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | | -128.5 | -153.5 | -114.1 | 42.7 | -20 | 0 | 0 | 0 | 111.1 | | |
| 809 | P | 52.9 | Low | 33.4 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | cis | -129.8 | -153.7 | -5.7 | 44.8 | -24.7 | 0 | 0 | 0 | 111.6 | | |
| 810 | L | 30.2 | Very low | 33.4 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | | | cis | -149.3 | -173.9 | 5.5 | -132.1 | -160.9 | 0 | 0 | 0 | 111.3 | | |
| 811 | L | 28.1 | Very low | 33.4 | Very low | 149 Ų | 149 | 126.9 Ų | 126.9 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | | | trans | -141.2 | -172.7 | 175.3 | -77.6 | -179.8 | 0 | 0 | 0 | 106.9 | | |
| 812 | P | 42.7 | Very low | 33.5 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | cis | -136.7 | -174.4 | 7.7 | 43.4 | -24.5 | 0 | 0 | 0 | 116.2 | | |
| 813 | A | 27.3 | Very low | 33.7 | Very low | 91 Ų | 91 | 129.8 Ų | 129.8 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | | | trans | -105.2 | 166 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 814 | Q | 29.3 | Very low | 33.8 | Very low | 203 Ų | 203 | 130.4 Ų | 130.4 | 95% | 0.949 | 77% | 0.773 | S | S | * | * | | | | -175.4 | 177.6 | 117.7 | -100.5 | -168.2 | 12.8 | 0 | 0 | 112.9 | | |
| 815 | A | 27.7 | Very low | 34.2 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | | | trans | -89 | 155.4 | -162.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 816 | A | 28.8 | Very low | 34 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | -159.7 | 147.4 | 144.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 817 | H | 29.2 | Very low | 33.7 | Very low | 186 Ų | 186 | 130 Ų | 130 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | | | trans | -97.2 | 155.2 | 159.3 | -69.7 | -84.3 | 0 | 0 | 0 | 107.6 | | |
| 818 | P | 37.6 | Very low | 32.5 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | | | | -155.6 | -177 | 76 | 44.1 | -24 | 0 | 0 | 0 | 117.2 | | |
| 819 | T | 28.3 | Very low | 31.2 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | trans | 63.2 | 105.3 | 151.5 | -48.7 | 0 | 0 | 0 | 0 | 121 | | |
| 820 | D | 24.9 | Very low | 30.1 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | | | | 34.8 | 158.2 | 118.8 | -149.1 | 10 | 0 | 0 | 0 | 123.6 | | |
| 821 | L | 27 | Very low | 30.1 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | | | trans | 78.2 | 94.8 | 165.6 | -56.8 | -178 | 0 | 0 | 0 | 120.2 | | |
| 822 | S | 26.3 | Very low | 30.2 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | | 55.2 | 127.2 | 110.9 | -62.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 823 | L | 31.2 | Very low | 29.5 | Very low | 167 Ų | 167 | 129.2 Ų | 129.2 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | 85.9 | 145 | 150.4 | -65.7 | 166.8 | 0 | 0 | 0 | 120.3 | | |
| 824 | P | 34.3 | Very low | 29.7 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | trans | -96 | 157.4 | -178.4 | 38.4 | -35.7 | 0 | 0 | 0 | 114.2 | | |
| 825 | P | 38.7 | Very low | 29.8 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | trans | -103.3 | -177.1 | 171.9 | 39.1 | -33.5 | 0 | 0 | 0 | 113.9 | | |
| 826 | Q | 26.2 | Very low | 30.7 | Very low | 156 Ų | 156 | 128.7 Ų | 128.7 | 73% | 0.729 | 74% | 0.739 | S | S | * | * | | | trans | 77 | 130.2 | 177.2 | -46.5 | -71 | -53.6 | 0 | 0 | 114.8 | | |
| 827 | H | 27.1 | Very low | 30.6 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | | | cis | -170.8 | 167.2 | -18.6 | -127 | -140.9 | 0 | 0 | 0 | 106.2 | | |
| 828 | E | 28.3 | Very low | 30.5 | Very low | 159 Ų | 159 | 126.2 Ų | 126.2 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | | | cis | -161.3 | 179.5 | 3.4 | -159.5 | 178.5 | 116.5 | 0 | 0 | 109 | | |
| 829 | A | 28.6 | Very low | 30.2 | Very low | 88 Ų | 88 | 125.4 Ų | 125.4 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | | | trans | 70.5 | 139 | 153 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 830 | A | 31.4 | Very low | 30.3 | Very low | 88 Ų | 88 | 127.5 Ų | 127.5 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | cis | -164.6 | 159 | -12 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 831 | K | 28.7 | Very low | 30.4 | Very low | 203 Ų | 203 | 129 Ų | 129 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | | | trans | 64.2 | 133.7 | 169.3 | -74.7 | -172.1 | 172.4 | -173.7 | 0 | 117.2 | | |
| 832 | A | 30.6 | Very low | 30.5 | Very low | 86 Ų | 86 | 126.7 Ų | 126.7 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | | | cis | 77.5 | 137.3 | 22.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 833 | D | 28.2 | Very low | 30.8 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 61% | 0.61 | 73% | 0.726 | S | S | * | * | | | cis | -159 | 143.7 | 9.1 | -154.7 | -141.4 | 0 | 0 | 0 | 111.9 | | |
| 834 | K | 31.5 | Very low | 30.7 | Very low | 161 Ų | 161 | 127.7 Ų | 127.7 | 70% | 0.7 | 72% | 0.723 | S | S | * | * | | | trans | 50.1 | 165.7 | 138.8 | -74.8 | -169.5 | -151.6 | 96.3 | 0 | 121.8 | | |
| 835 | T | 31.3 | Very low | 30.6 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | | | cis | -169.3 | -176.9 | 4 | 18.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 836 | P | 46.9 | Very low | 30.1 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | | | | -139.5 | -165.2 | -60.4 | 41.3 | -20.6 | 0 | 0 | 0 | 114.4 | | |
| 837 | S | 26.5 | Very low | 30.2 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | | | trans | 81.3 | 116.6 | 141.4 | -80.9 | 0 | 0 | 0 | 0 | 124 | | |
| 838 | D | 26.7 | Very low | 30.3 | Very low | 137 Ų | 137 | 127.4 Ų | 127.4 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | | | | 74.1 | 103.7 | 123.1 | -65.1 | -62.4 | 0 | 0 | 0 | 123.1 | | |
| 839 | S | 31.3 | Very low | 31.4 | Very low | 100 Ų | 100 | 124.8 Ų | 124.8 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | | | | 127.8 | 123.3 | 100.3 | 65.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 840 | H | 30.6 | Very low | 31.4 | Very low | 165 Ų | 165 | 125.9 Ų | 125.9 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | | | trans | 69 | 107.4 | 138.4 | -73.2 | -123.5 | 0 | 0 | 0 | 123.9 | | |
| 841 | H | 27.3 | Very low | 31.2 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 79% | 0.787 | 72% | 0.723 | S | S | * | * | | | | 76.1 | 130.1 | 128.6 | -83 | -93.8 | 0 | 0 | 0 | 125.3 | | |
| 842 | A | 29.5 | Very low | 31.2 | Very low | 84 Ų | 84 | 130.5 Ų | 130.5 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | | | trans | 75 | 141.8 | 139.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 843 | T | 31.2 | Very low | 31 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | | | cis | -156.4 | 174.6 | -12 | 18.5 | 0 | 0 | 0 | 0 | 112 | | |
| 844 | E | 29.9 | Very low | 31.1 | Very low | 177 Ų | 177 | 132 Ų | 132 | 83% | 0.827 | 72% | 0.721 | S | S | * | * | | | trans | 76.2 | 141.1 | 161.4 | -68.9 | 137.8 | 90.6 | 0 | 0 | 116.7 | | |
| 845 | A | 33.3 | Very low | 31 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | | | cis | -157.5 | -175.2 | -13.5 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 846 | E | 27.9 | Very low | 30.9 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 78% | 0.78 | 72% | 0.723 | S | S | * | * | | | cis | -157.9 | -177.9 | 7.3 | -148 | -120.4 | 82.2 | 0 | 0 | 110.6 | | |
| 847 | T | 27.1 | Very low | 30.1 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | trans | 66.7 | 121.3 | 167 | -36.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 848 | E | 30.2 | Very low | 30.1 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 65% | 0.645 | 74% | 0.742 | S | S | * | * | | | trans | -141.3 | -169.2 | -171.9 | -96.1 | -81.4 | 119.3 | 0 | 0 | 108.5 | I850 | E848-I850 WeakPolarHBondContact OE1-CD1 3.38Å; E848-I850 VanDerWaalsContact OE2-CD1 3.29Å; E848-I850 WeakPolarHBondContact OE2-CD1 3.38Å; E848-I850 WeakPolarHBondContact OE2-CG1 3.37Å |
| 849 | P | 51.6 | Low | 30 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | | | cis | -119.9 | 176.2 | -14.9 | 21.6 | 3.5 | 0 | 0 | 0 | 112 | | |
| 850 | I | 28.8 | Very low | 29.7 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 57% | 0.574 | 75% | 0.75 | S | S | * | * | | | cis | 75.6 | 122.7 | 38.9 | -58.5 | -166.3 | 0 | 0 | 0 | 113.1 | E848 | E848-I850 WeakPolarHBondContact OE1-CD1 3.38Å; E848-I850 VanDerWaalsContact OE2-CD1 3.29Å; E848-I850 WeakPolarHBondContact OE2-CD1 3.38Å; E848-I850 WeakPolarHBondContact OE2-CG1 3.37Å |
| 851 | Y | 25.3 | Very low | 29.6 | Very low | 221 Ų | 221 | 137.5 Ų | 137.5 | 87% | 0.867 | 74% | 0.741 | S | S | * | * | | | | -159.6 | 169.2 | 97.5 | -112.6 | -84.3 | 0 | 0 | 0 | 116.1 | | |
| 852 | Q | 28.7 | Very low | 29.6 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 78% | 0.78 | 75% | 0.745 | S | S | * | * | | | trans | -151.7 | 156.3 | -159.3 | -164.9 | 175.7 | 15.5 | 0 | 0 | 112.5 | | |
| 853 | S | 27.5 | Very low | 29.4 | Very low | 87 Ų | 87 | 140.2 Ų | 140.2 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | | | trans | 52.3 | 128.1 | 158.3 | -81.1 | 0 | 0 | 0 | 0 | 124.1 | | |
| 854 | D | 30.8 | Very low | 29.2 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | | 45 | 134.1 | 121.5 | -40 | -48.9 | 0 | 0 | 0 | 120.1 | | |
| 855 | N | 29 | Very low | 29 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | | | | -179.2 | 164.8 | 64.4 | -173.9 | 32.1 | 0 | 0 | 0 | 113.9 | | |
| 856 | E | 28.6 | Very low | 29.2 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | trans | 36 | 127.8 | 159.3 | -85.6 | 172.8 | 125 | 0 | 0 | 124 | | |
| 857 | S | 30.4 | Very low | 30 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | | | | -177.6 | 120.1 | 121.8 | -78.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 858 | E | 26.9 | Very low | 29.9 | Very low | 204 Ų | 204 | 140.2 Ų | 140.2 | 95% | 0.953 | 76% | 0.758 | S | S | * | * | | | trans | 52.7 | 171.1 | 150.2 | -55.1 | -151.7 | 101.4 | 0 | 0 | 122.1 | | |
| 859 | S | 24.8 | Very low | 30.3 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | | | trans | -136.3 | 147.3 | -166.6 | 95.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 860 | F | 24 | Very low | 29 | Very low | 198 Ų | 198 | 144 Ų | 144 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | | | trans | -159.4 | 139.6 | 139 | -133.9 | -105 | 0 | 0 | 0 | 113.7 | | |
| 861 | S | 28.6 | Very low | 29 | Very low | 81 Ų | 81 | 146.5 Ų | 146.5 | 57% | 0.566 | 78% | 0.775 | S | S | * | * | | | trans | 52.6 | 102.7 | 159.8 | -71 | 0 | 0 | 0 | 0 | 123.5 | | |
| 862 | Q | 26.9 | Very low | 29.6 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | | | | 64.1 | 99.3 | 119.6 | -63.9 | 174 | 12.2 | 0 | 0 | 120.3 | | |
| 863 | S | 26.3 | Very low | 29.5 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | | -143.6 | 147.8 | 100.7 | -156.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 864 | L | 26.8 | Very low | 30.2 | Very low | 167 Ų | 167 | 144.8 Ų | 144.8 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -72.7 | 127.5 | -167.9 | -70.1 | 151.6 | 0 | 0 | 0 | 110.6 | | |
| 865 | A | 26.7 | Very low | 30.5 | Very low | 85 Ų | 85 | 146.9 Ų | 146.9 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | | | cis | 105.3 | 110.4 | 45.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 866 | A | 36.8 | Very low | 31.2 | Very low | 92 Ų | 92 | 143.2 Ų | 143.2 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | | | trans | -82.4 | 173.1 | 145.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 867 | P | 44.1 | Very low | 31.4 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | | | cis | -100.1 | -127.6 | 10 | 19.7 | 4.6 | 0 | 0 | 0 | 110.5 | | |
| 868 | W | 25 | Very low | 32.2 | Very low | 205 Ų | 205 | 151.4 Ų | 151.4 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | | | cis | -161.3 | 162.3 | 8.5 | 53.8 | -64.1 | 0 | 0 | 0 | 111.4 | M870 | W868-M870 HydrophobicContact CE3-CB 4.5Å; W868-M870 HydrophobicContact CZ3-CB 4.18Å; W868-M870 HydrophobicContact CZ3-CG 4.08Å; W868-M870 HydrophobicContact CZ3-SD 4.04Å |
| 869 | E | 39.3 | Very low | 32.7 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | | | trans | -69.2 | 140.3 | 171.8 | -66.4 | -179.8 | 98.3 | 0 | 0 | 111.5 | | |
| 870 | M | 24.6 | Very low | 33.6 | Very low | 141 Ų | 141 | 146.4 Ų | 146.4 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | | | trans | -164.8 | 160.9 | 134.6 | -118.3 | -162.5 | -170.1 | 0 | 0 | 115.2 | W868 | W868-M870 HydrophobicContact CE3-CB 4.5Å; W868-M870 HydrophobicContact CZ3-CB 4.18Å; W868-M870 HydrophobicContact CZ3-CG 4.08Å; W868-M870 HydrophobicContact CZ3-SD 4.04Å |
| 871 | K | 27.6 | Very low | 34.9 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | | | trans | 72.8 | 119.6 | 157 | -78.3 | 170.4 | 176.7 | 171 | 0 | 118.9 | | |
| 872 | A | 37.7 | Very low | 36 | Very low | 101 Ų | 101 | 143.6 Ų | 143.6 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | | | trans | -58 | 149.7 | 150.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 873 | W | 28.1 | Very low | 37.2 | Very low | 226 Ų | 226 | 140.7 Ų | 140.7 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | | | trans | -116.9 | 153.4 | 171.7 | -76.3 | 86.1 | 0 | 0 | 0 | 109.8 | | |
| 874 | P | 40.6 | Very low | 38.5 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | -84.9 | 170.1 | -163.9 | 34.7 | -37 | 0 | 0 | 0 | 114.5 | | |
| 875 | E | 38.7 | Very low | 39.9 | Very low | 187 Ų | 187 | 140 Ų | 140 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -13.8 | 132.7 | 168.2 | -153.8 | 60.8 | -137.5 | 0 | 0 | 118.9 | | |
| 876 | G | 42 | Very low | 41.1 | Very low | 56 Ų | 56 | 139.4 Ų | 139.4 | 58% | 0.577 | 73% | 0.734 | S | S | * | * | | | trans | 95.5 | 92.6 | 143.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 877 | R | 34.7 | Very low | 41.5 | Very low | 246 Ų | 246 | 142.6 Ų | 142.6 | 93% | 0.928 | 73% | 0.731 | S | S | * | * | | | trans | -156.5 | 138.2 | 137.8 | -100.2 | 140.2 | -152.2 | -99.7 | 3.5 | 110.4 | | |
| 878 | Q | 46.3 | Very low | 42 | Very low | 200 Ų | 200 | 142.2 Ų | 142.2 | 94% | 0.935 | 73% | 0.726 | S | S | * | * | | | trans | -82 | 127.1 | -179.2 | -65.1 | 169.1 | -2.3 | 0 | 0 | 109.9 | | |
| 879 | V | 36.3 | Very low | 43.4 | Very low | 84 Ų | 84 | 137.8 Ų | 137.8 | 51% | 0.509 | 72% | 0.716 | S | S | . | * | | | trans | -91.4 | 123.6 | 170.8 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | T881 | V879-T881 HydrophobicContact CG1-CG2 4.43Å; V879-T881 PolarHBondContact O-N 3.07Å; V879-T881 VanDerWaalsContact O-N 3.13Å |
| 880 | L | 44 | Very low | 43.8 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 63% | 0.634 | 72% | 0.716 | S | S | * | * | | | trans | -85.3 | 84.8 | -174.6 | -168.9 | 66.7 | 0 | 0 | 0 | 110.9 | H882 | L880-H882 VanDerWaalsContact CD2-NE2 3.34Å; L880-H882 WeakPolarHBondContact CD2-NE2 3.27Å; L880-H882 PolarHBondContact O-CD2 3.31Å; L880-H882 PolarHBondContact O-N 2.83Å |
| 881 | T | 51.2 | Low | 45.1 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 58% | 0.583 | 71% | 0.713 | S | S | * | * | | | trans | -71.2 | 88.6 | -175.5 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | V879 L883 | V879-T881 HydrophobicContact CG1-CG2 4.43Å; V879-T881 PolarHBondContact O-N 3.07Å; V879-T881 VanDerWaalsContact O-N 3.13Å; T881-L883 PolarHBondContact O-N 3.45Å |
| 882 | H | 51.6 | Low | 46.1 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 58% | 0.579 | 71% | 0.707 | S | S | * | * | | | trans | -74.2 | 105.3 | 169.1 | -77.7 | -84.2 | 0 | 0 | 0 | 111.3 | L880 | L880-H882 VanDerWaalsContact CD2-NE2 3.34Å; L880-H882 WeakPolarHBondContact CD2-NE2 3.27Å; L880-H882 PolarHBondContact O-CD2 3.31Å; L880-H882 PolarHBondContact O-N 2.83Å |
| 883 | L | 52.6 | Low | 46.6 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 65% | 0.649 | 71% | 0.711 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.4 | 124 | 165.2 | -95.6 | 71.8 | 0 | 0 | 0 | 110.2 | T881 | T881-L883 PolarHBondContact O-N 3.45Å |
| 884 | V | 53 | Low | 47.3 | Very low | 88 Ų | 88 | 133.1 Ų | 133.1 | 53% | 0.533 | 71% | 0.708 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.6 | 127.1 | 168.1 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | G886 F887 | V884-G886 PolarHBondContact O-N 2.83Å; V884-F887 PolarHBondContact O-N 3.45Å |
| 885 | E | 55.9 | Low | 47.4 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 89% | 0.888 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45.5 | 32.4 | 172 | -59.8 | -164.2 | 146.9 | 0 | 0 | 117.2 | | |
| 886 | G | 53.7 | Low | 47.2 | Very low | 73 Ų | 73 | 133.3 Ų | 133.3 | 75% | 0.753 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.9 | 8.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | V884 | V884-G886 PolarHBondContact O-N 2.83Š|
| 887 | F | 44.2 | Very low | 47.1 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 69% | 0.693 | 72% | 0.717 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 137.5 | 170.5 | -65.3 | -88 | 0 | 0 | 0 | 110.9 | V884 I889 | V884-F887 PolarHBondContact O-N 3.45Å; F887-I889 PolarHBondContact O-N 2.81Å |
| 888 | V | 55.3 | Low | 47.4 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 66% | 0.661 | 71% | 0.708 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.4 | 105.2 | 168.9 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | Q890 | V888-Q890 PolarHBondContact O-N 2.98Å |
| 889 | I | 54.2 | Low | 46.9 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 58% | 0.579 | 70% | 0.7 | S | S | * | * | | | trans | -80.8 | 110.4 | 170.1 | -58.7 | 178.3 | 0 | 0 | 0 | 107.1 | F887 E891 | F887-I889 PolarHBondContact O-N 2.81Å; I889-E891 PolarHBondContact O-N 2.83Å |
| 890 | Q | 46.9 | Very low | 47.1 | Very low | 179 Ų | 179 | 134.9 Ų | 134.9 | 84% | 0.836 | 72% | 0.717 | S | S | * | * | | | trans | -84.9 | 105.9 | 172.3 | -158.2 | 170.4 | 28.7 | 0 | 0 | 107.7 | V888 G892 | V888-Q890 PolarHBondContact O-N 2.98Å; Q890-G892 PolarHBondContact O-N 3.42Å; Q890-G892 VanDerWaalsContact O-N 3.13Å |
| 891 | E | 52.2 | Low | 46.7 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 63% | 0.631 | 72% | 0.724 | S | S | * | * | | | trans | -71 | 106 | 178.9 | -171.4 | 168.7 | -130.9 | 0 | 0 | 109.4 | I889 | I889-E891 PolarHBondContact O-N 2.83Š|
| 892 | G | 49.5 | Very low | 46 | Very low | 58 Ų | 58 | 135 Ų | 135 | 60% | 0.598 | 73% | 0.732 | S | S | * | * | | | trans | -70.1 | 135.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q890 Q894 | Q890-G892 PolarHBondContact O-N 3.42Å; Q890-G892 VanDerWaalsContact O-N 3.13Å; G892-Q894 PolarHBondContact O-N 3.33Å |
| 893 | L | 46.4 | Very low | 45.6 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 91% | 0.911 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -72.7 | 31.2 | -179.7 | -63.1 | 176.2 | 0 | 0 | 0 | 113.8 | | |
| 894 | Q | 43.8 | Very low | 44.7 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -138.7 | 120.6 | -176 | -161.8 | 158.7 | 27.3 | 0 | 0 | 109.6 | G892 F896 | G892-Q894 PolarHBondContact O-N 3.33Å; Q894-F896 PolarHBondContact O-N 3.5Å |
| 895 | P | 43.5 | Very low | 43.7 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | trans | -56.7 | 134.3 | 178.8 | -25.3 | 34.3 | 0 | 0 | 0 | 111.4 | | |
| 896 | F | 33.5 | Very low | 43.1 | Very low | 184 Ų | 184 | 137.6 Ų | 137.6 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | | | trans | -54.2 | 125.1 | 175.1 | -72.5 | -84.3 | 0 | 0 | 0 | 109.9 | Q894 V898 | Q894-F896 PolarHBondContact O-N 3.5Å; F896-V898 PolarHBondContact O-N 3.17Å |
| 897 | P | 39.5 | Very low | 41.8 | Very low | 122 Ų | 122 | 141 Ų | 141 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | | | trans | -68.8 | 93.5 | -179.8 | 26.3 | -33.4 | 0 | 0 | 0 | 110 | N899 | P897-N899 PolarHBondContact O-N 3.1Š|
| 898 | V | 41.5 | Very low | 40.9 | Very low | 123 Ų | 123 | 141 Ų | 141 | 75% | 0.745 | 76% | 0.761 | S | S | * | * | | | trans | -71.9 | 75.7 | 179.9 | -77.4 | 0 | 0 | 0 | 0 | 110.8 | F896 R900 | F896-V898 PolarHBondContact O-N 3.17Å; V898-R900 PolarHBondContact O-N 2.99Å |
| 899 | N | 36.8 | Very low | 39.6 | Very low | 142 Ų | 142 | 142.5 Ų | 142.5 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | trans | -74.9 | 63.1 | -175.9 | -152.7 | -7.2 | 0 | 0 | 0 | 112.4 | P897 S901 | P897-N899 PolarHBondContact O-N 3.1Å; N899-S901 PolarHBondContact O-N 3.32Å |
| 900 | R | 40.2 | Very low | 38.5 | Very low | 232 Ų | 232 | 142.6 Ų | 142.6 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | | | trans | -86.2 | 71.6 | 174.1 | -77.5 | -173 | 169.1 | -172.7 | -1.5 | 110.6 | V898 | V898-R900 PolarHBondContact O-N 2.99Š|
| 901 | S | 35.2 | Very low | 37.7 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | trans | 178.9 | 89.6 | 147.6 | -83.1 | 0 | 0 | 0 | 0 | 111.9 | N899 | N899-S901 PolarHBondContact O-N 3.32Š|
| 902 | S | 36.2 | Very low | 36.6 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | -148.8 | 22 | 163 | -65.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 903 | L | 44.3 | Very low | 35.5 | Very low | 176 Ų | 176 | 147.7 Ų | 147.7 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | | | trans | -106.4 | 72.7 | 168.3 | -73.1 | 179.8 | 0 | 0 | 0 | 109 | | |
| 904 | L | 32 | Very low | 34.6 | Very low | 165 Ų | 165 | 147 Ų | 147 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -176.8 | 76 | 156.8 | -99.7 | 166.9 | 0 | 0 | 0 | 110.3 | | |
| 905 | V | 33.3 | Very low | 33.9 | Very low | 131 Ų | 131 | 145.1 Ų | 145.1 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | 15 | 140.1 | 136.7 | -177.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 906 | P | 42.2 | Very low | 33.2 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | | | cis | -128.3 | -159.5 | 6.5 | 38.7 | -19.5 | 0 | 0 | 0 | 114.4 | | |
| 907 | E | 26.3 | Very low | 33.2 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | | | trans | 118.8 | 91.3 | 147.3 | -152.6 | 66.6 | -177.3 | 0 | 0 | 118.2 | | |
| 908 | Q | 27 | Very low | 32.9 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | 39.5 | 118.3 | 144.4 | -53.8 | -163.3 | 87.2 | 0 | 0 | 121.5 | | |
| 909 | V | 27 | Very low | 32.3 | Very low | 140 Ų | 140 | 142.3 Ų | 142.3 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | | | trans | -111.3 | 130.6 | 146.4 | 175.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 910 | P | 31 | Very low | 32.2 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | -64.9 | 160.1 | -177.7 | -23.8 | 34.8 | 0 | 0 | 0 | 114.8 | | |
| 911 | K | 30.9 | Very low | 31.3 | Very low | 185 Ų | 185 | 139.3 Ų | 139.3 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -124.8 | 113.3 | -178.3 | -178.3 | -168.9 | 178.1 | -166.5 | 0 | 111.8 | | |
| 912 | P | 29 | Very low | 31.2 | Very low | 113 Ų | 113 | 140 Ų | 140 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | trans | -90.8 | 148.2 | 150.7 | 33.6 | -27.7 | 0 | 0 | 0 | 109.8 | | |
| 913 | Q | 26 | Very low | 30.7 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | cis | -148.4 | 159 | -5.9 | -178.9 | 170.1 | -29.1 | 0 | 0 | 109 | | |
| 914 | E | 27.7 | Very low | 29.8 | Very low | 159 Ų | 159 | 138 Ų | 138 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | trans | -98.2 | 153.8 | -178.9 | -67.3 | 177.7 | 88.2 | 0 | 0 | 114 | | |
| 915 | V | 28.1 | Very low | 30.2 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | | | trans | -171.7 | 121.9 | 149.6 | 135.2 | 0 | 0 | 0 | 0 | 104.6 | | |
| 916 | N | 29.7 | Very low | 29.9 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | cis | -126.5 | 172.4 | 0.7 | -78 | -41.6 | 0 | 0 | 0 | 111.2 | | |
| 917 | G | 32.7 | Very low | 29.2 | Very low | 61 Ų | 61 | 133.2 Ų | 133.2 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | | | trans | -70.9 | -163.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 918 | T | 33.8 | Very low | 29.2 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | cis | -157.9 | 151.8 | 24.5 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 919 | N | 30.2 | Very low | 29.7 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | | | trans | 58.5 | 134.3 | 145.5 | -54.6 | -11.3 | 0 | 0 | 0 | 121.4 | | |
| 920 | G | 33 | Very low | 29.9 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 89% | 0.887 | 76% | 0.763 | S | S | * | * | | | trans | 135.6 | 91 | 149.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 921 | R | 21.9 | Very low | 29.8 | Very low | 226 Ų | 226 | 133.5 Ų | 133.5 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | | | trans | -120.5 | 135.6 | 158.8 | -176.8 | 164.6 | -168.1 | -83.9 | -0.9 | 105.8 | | |
| 922 | P | 33.8 | Very low | 30 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | | -142.3 | -161.8 | 76.2 | 37.5 | -16.3 | 0 | 0 | 0 | 115.2 | | |
| 923 | A | 24.6 | Very low | 30.3 | Very low | 70 Ų | 70 | 129.8 Ų | 129.8 | 58% | 0.579 | 76% | 0.758 | S | S | * | * | | | trans | -147.6 | -173.6 | -163.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 924 | L | 26.5 | Very low | 30.8 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | | | trans | 79.8 | 165 | 175.9 | -45.6 | 179.4 | 0 | 0 | 0 | 114.1 | | |
| 925 | P | 40.7 | Very low | 31.3 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | cis | -137.1 | -172.9 | 4.2 | 42.6 | -24.6 | 0 | 0 | 0 | 117.2 | | |
| 926 | A | 25.2 | Very low | 32 | Very low | 81 Ų | 81 | 125.7 Ų | 125.7 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | | | trans | 80.3 | 83.9 | 142.3 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 927 | S | 28.8 | Very low | 32.4 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | | 39 | 131 | 110.5 | 65 | 0 | 0 | 0 | 0 | 124.7 | | |
| 928 | E | 25.5 | Very low | 32.6 | Very low | 151 Ų | 151 | 128.9 Ų | 128.9 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | | 56.9 | 141.4 | 129.7 | -75.6 | -68.2 | 138.9 | 0 | 0 | 121.1 | V930 | E928-V930 WeakPolarHBondContact OE2-CG2 3.23Å; E928-V930 PolarHBondContact OE2-N 3.49Å |
| 929 | P | 37.2 | Very low | 32.5 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | | -151.7 | 133.9 | 67.7 | 37.8 | -15.9 | 0 | 0 | 0 | 120.7 | | |
| 930 | V | 31.8 | Very low | 32.8 | Very low | 109 Ų | 109 | 128 Ų | 128 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | | | | 45.8 | 101.7 | 125.4 | -170.8 | 0 | 0 | 0 | 0 | 122.1 | E928 | E928-V930 WeakPolarHBondContact OE2-CG2 3.23Å; E928-V930 PolarHBondContact OE2-N 3.49Å |
| 931 | K | 29.9 | Very low | 33.2 | Very low | 186 Ų | 186 | 132.3 Ų | 132.3 | 81% | 0.809 | 75% | 0.751 | S | S | * | * | | | trans | 61.5 | 167.3 | 139.7 | -94.1 | -169.9 | 171.3 | -174.9 | 0 | 121.6 | | |
| 932 | P | 34.1 | Very low | 34.1 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 69% | 0.688 | 75% | 0.747 | S | S | * | * | | | cis | -131.3 | 148.1 | -5.7 | 35.3 | -16.5 | 0 | 0 | 0 | 118.3 | | |
| 933 | T | 36.3 | Very low | 34.3 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | | | trans | 40.3 | 110.6 | 139.3 | -53.3 | 0 | 0 | 0 | 0 | 122.2 | | |
| 934 | E | 35.5 | Very low | 35.1 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | | | trans | 65.3 | 162.4 | 154.9 | -63.8 | -56.7 | 127.6 | 0 | 0 | 118 | | |
| 935 | P | 38.1 | Very low | 35.4 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | | | cis | -129.2 | 176.5 | 8.8 | 43.2 | -27.5 | 0 | 0 | 0 | 117.2 | | |
| 936 | S | 42.4 | Very low | 35 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | | | trans | -40.3 | 137.2 | 165.5 | 167.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 937 | T | 37.6 | Very low | 35.6 | Very low | 136 Ų | 136 | 130 Ų | 130 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | | | | -170.4 | 162.1 | 108.5 | -67.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 938 | D | 37.6 | Very low | 35.8 | Very low | 134 Ų | 134 | 129 Ų | 129 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | | | trans | -79 | 147.7 | -170.6 | -174.8 | 25.7 | 0 | 0 | 0 | 115.5 | | |
| 939 | S | 31.1 | Very low | 36.3 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | trans | 175.3 | 103.7 | 146.2 | -77.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 940 | E | 37.2 | Very low | 36.6 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | | 38 | 146.2 | 129.5 | -39.5 | -168.1 | 104.5 | 0 | 0 | 124.8 | | |
| 941 | E | 40.6 | Very low | 36.6 | Very low | 175 Ų | 175 | 125.9 Ų | 125.9 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | 73.5 | 162.8 | 153 | -34.4 | -153.6 | 133.9 | 0 | 0 | 120.3 | | |
| 942 | E | 41.8 | Very low | 37.2 | Very low | 164 Ų | 164 | 122.1 Ų | 122.1 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | | | cis | -160.1 | 168 | -5.7 | -121.9 | -111.1 | 112.8 | 0 | 0 | 110.7 | | |
| 943 | D | 38.8 | Very low | 37.5 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | | | trans | 51.8 | 170.3 | 158.2 | -143.2 | 38.8 | 0 | 0 | 0 | 120.5 | | |
| 944 | G | 40.5 | Very low | 37.8 | Very low | 62 Ų | 62 | 126.9 Ų | 126.9 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | | | cis | 166.8 | 126.3 | -16.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 945 | G | 31.8 | Very low | 37.8 | Very low | 88 Ų | 88 | 122.2 Ų | 122.2 | 91% | 0.907 | 75% | 0.751 | S | S | * | * | | | trans | 171 | 160.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 946 | D | 33.1 | Very low | 37.9 | Very low | 150 Ų | 150 | 125 Ų | 125 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | | | trans | -138.2 | 169.6 | -162.3 | -176.2 | 37.1 | 0 | 0 | 0 | 115.9 | | |
| 947 | T | 38 | Very low | 38.1 | Very low | 127 Ų | 127 | 130 Ų | 130 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | | | trans | 97.5 | 127.7 | 162 | 70.5 | 0 | 0 | 0 | 0 | 121 | | |
| 948 | G | 32.7 | Very low | 38.3 | Very low | 86 Ų | 86 | 129.5 Ų | 129.5 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | | | trans | 137.8 | 112.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 949 | D | 35.7 | Very low | 39.3 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 62% | 0.62 | 75% | 0.747 | S | S | * | * | | | trans | -141.5 | 144 | 175.8 | -171.2 | 39.4 | 0 | 0 | 0 | 110.1 | | |
| 950 | L | 43.6 | Very low | 41.3 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | | | | -167 | 142.2 | 87.7 | -103 | 168.5 | 0 | 0 | 0 | 112.5 | | |
| 951 | G | 32.3 | Very low | 43.5 | Very low | 38 Ų | 38 | 125.6 Ų | 125.6 | 39% | 0.392 | 73% | 0.725 | S | S | . | * | | | trans | -161.5 | 34.9 | -177 | 0 | 0 | 0 | 0 | 0 | 119.7 | T201 | T201-G951 WeakPolarHBondContact CG2-O 3.39Š|
| 952 | N | 42.3 | Very low | 45.8 | Very low | 107 Ų | 107 | 119.3 Ų | 119.3 | 57% | 0.572 | 70% | 0.697 | S | S | * | * | | | trans | -62.9 | 126.1 | -169.1 | -178.1 | 25.2 | 0 | 0 | 0 | 117.8 | | |
| 953 | K | 39.6 | Very low | 48.2 | Very low | 196 Ų | 196 | 117.5 Ų | 117.5 | 85% | 0.852 | 69% | 0.688 | S | S | * | * | | | trans | -151.1 | 153.5 | 139.6 | -76 | -150.3 | 177.8 | -175.1 | 0 | 112.5 | | |
| 954 | S | 43.9 | Very low | 50.8 | Low | 124 Ų | 124 | 110.3 Ų | 110.3 | 87% | 0.867 | 65% | 0.649 | S | S | * | * | | | trans | -99.3 | 170.8 | -170.3 | 54.9 | 0 | 0 | 0 | 0 | 114 | | |
| 955 | G | 34.2 | Very low | 53 | Low | 68 Ų | 68 | 112.3 Ų | 112.3 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | | | cis | 178.7 | -154.5 | 2.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 956 | H | 41.8 | Very low | 55.9 | Low | 177 Ų | 177 | 111.4 Ų | 111.4 | 82% | 0.819 | 61% | 0.613 | S | S | * | * | | | trans | 56.1 | 79.6 | 174.8 | -88.3 | -82.1 | 0 | 0 | 0 | 119.5 | | |
| 957 | K | 45.2 | Very low | 58.7 | Low | 206 Ų | 206 | 106.7 Ų | 106.7 | 90% | 0.896 | 59% | 0.592 | S | S | * | * | | | trans | -112 | 59.2 | 151.6 | -80.9 | -176.9 | 176.1 | 172 | 0 | 111.2 | R959 | K957-R959 PolarHBondContact O-N 2.93Š|
| 958 | D | 43.6 | Very low | 61.1 | Low | 124 Ų | 124 | 103.3 Ų | 103.3 | 66% | 0.663 | 58% | 0.582 | S | S | * | * | | | trans | -74.4 | 107.2 | 176.8 | -162.4 | -24.6 | 0 | 0 | 0 | 110.9 | T960 | D958-T960 VanDerWaalsContact C-N 3.31Å; D958-T960 PolarHBondContact O-N 3.17Å |
| 959 | R | 56.8 | Low | 63.9 | Low | 149 Ų | 149 | 105.9 Ų | 105.9 | 56% | 0.562 | 57% | 0.569 | S | S | * | * | | | trans | -84.5 | 70.5 | -172.6 | -68.1 | 172.4 | 78.6 | -168.3 | 9.9 | 110.9 | K957 V961 H974 | K957-R959 PolarHBondContact O-N 2.93Å; R959-V961 PolarHBondContact O-N 2.99Å; R959-H974 PolarHBondContact NH2-ND1 3.03Å |
| 960 | T | 74 | Confident | 66.5 | Low | 94 Ų | 94 | 110.5 Ų | 110.5 | 58% | 0.577 | 58% | 0.578 | S | S | * | * | | | trans | -2.7 | 98.5 | 173.9 | 45.4 | 0 | 0 | 0 | 0 | 114.8 | D958 L962 | D958-T960 VanDerWaalsContact C-N 3.31Å; D958-T960 PolarHBondContact O-N 3.17Å; T960-L962 PolarHBondContact O-N 3.13Å; T960-L962 VanDerWaalsContact O-N 3.15Å |
| 961 | V | 83.4 | Confident | 68.6 | Low | 76 Ų | 76 | 103.7 Ų | 103.7 | 46% | 0.461 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 101.1 | 179.6 | 179.9 | 0 | 0 | 0 | 0 | 109 | R959 R970 | R959-V961 PolarHBondContact O-N 2.99Å; V961-R970 HydrophobicContact CG1-CB 3.79Å; V961-R970 HydrophobicContact CG1-CG 4.37Å |
| 962 | L | 87.7 | Confident | 71.2 | Confident | 42 Ų | 42 | 105.8 Ų | 105.8 | 22% | 0.22 | 55% | 0.545 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 157.1 | 178.5 | -53.7 | -176.3 | 0 | 0 | 0 | 110.4 | T960 R970 G971 A973 F976 K980 | T960-L962 PolarHBondContact O-N 3.13Å; T960-L962 VanDerWaalsContact O-N 3.15Å; L962-R970 CarbonylContact O-C 3.56Å; L962-R970 VanDerWaalsContact O-CA 3.28Å; L962-R970 WeakPolarHBondContact O-CA 3.45Å; L962-G971 PolarHBondContact N-O 3.25Å; L962-G971 PolarHBondContact O-N 3.43Å; L962-A973 HydrophobicContact CD1-CB 3.85Å; L962-A973 HydrophobicContact CG-CB 4.24Å; L962-F976 VanDerWaalsContact C-CZ 3.43Å; L962-F976 HydrophobicContact CB-CD1 4.07Å; L962-F976 HydrophobicContact CB-CD2 3.93Å; L962-F976 HydrophobicContact CB-CE1 3.86Å; L962-F976 HydrophobicContact CB-CE2 3.75Å; L962-F976 HydrophobicContact CB-CG 4.12Å; L962-F976 HydrophobicContact CB-CZ 3.72Å; L962-F976 HydrophobicContact CD1-CB 4.31Å; L962-F976 HydrophobicContact CD1-CD1 4.4Å; L962-F976 HydrophobicContact CD1-CD2 4.42Å; L962-F976 HydrophobicContact CD1-CG 4.11Å; L962-F976 VanDerWaalsContact O-CZ 3.27Å; L962-F976 WeakPolarHBondContact O-CZ 3.45Å; L962-K980 HydrophobicContact CD1-CB 3.93Å; L962-K980 HydrophobicContact CD1-CG 4.21Å |
| 963 | H | 92.2 | Very high | 73.1 | Confident | 126 Ų | 126 | 102.4 Ų | 102.4 | 58% | 0.583 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 135.6 | 176.8 | 64.4 | -95.3 | 0 | 0 | 0 | 110.8 | Q965 R970 F976 | H963-Q965 PolarHBondContact O-N 2.73Å; H963-R970 HydrophobicContact CB-CG 4.24Å; H963-F976 VanDerWaalsContact C-CE1 3.49Å |
| 964 | C | 93.4 | Very high | 75.1 | Confident | 1 Ų | 1 | 98.8 Ų | 98.8 | 1% | 0.007 | 52% | 0.518 | C | S | . | . | | | trans | -79.4 | 114.2 | -179.6 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | F966 C967 G968 K969 F976 C983 | C964-F966 PolarHBondContact O-N 3.12Å; C964-C967 PolarHBondContact O-N 3.24Å; C964-G968 WeakPolarHBondContact O-CA 3.3Å; C964-G968 PolarHBondContact O-N 2.94Å; C964-K969 PolarHBondContact N-O 3.41Å; C964-F976 HydrophobicContact CB-CE1 4.02Å; C964-F976 HydrophobicContact CB-CZ 4.17Å; C964-C983 HydrophobicContact CB-CB 4.13Å |
| 965 | Q | 88.6 | Confident | 76.7 | Confident | 104 Ų | 104 | 97 Ų | 97 | 49% | 0.486 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -12.8 | -174.1 | -153.3 | -179 | 22.6 | 0 | 0 | 114.7 | H963 R981 F982 F991 | H963-Q965 PolarHBondContact O-N 2.73Å; Q965-R981 PolarHBondContact N-O 2.93Å; Q965-R981 VanDerWaalsContact N-O 3.14Å; Q965-F982 HydrophobicContact CB-CE1 3.97Å; Q965-F991 HydrophobicContact CB-CE2 4.32Å; Q965-F991 HydrophobicContact CG-CD2 4.45Å; Q965-F991 HydrophobicContact CG-CE2 3.79Å; Q965-F991 HydrophobicContact CG-CZ 4.28Å |
| 966 | F | 91.6 | Very high | 79.2 | Confident | 69 Ų | 69 | 94.5 Ų | 94.5 | 30% | 0.303 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -42.8 | 174.9 | -177.4 | -111.8 | 0 | 0 | 0 | 114.7 | C964 F982 C987 G990 F991 | C964-F966 PolarHBondContact O-N 3.12Å; F966-F982 HydrophobicContact CB-CD1 4.27Å; F966-F982 HydrophobicContact CB-CE1 4.36Å; F966-C987 HydrophobicContact CB-CB 3.91Å; F966-C987 WeakPolarHBondContact CB-O 3.48Å; F966-C987 HydrophobicContact CD1-CB 4.01Å; F966-C987 HydrophobicContact CG-CB 4.34Å; F966-C987 WeakPolarHBondContact CG-O 3.48Å; F966-G990 VanDerWaalsContact CD2-C 3.43Å; F966-G990 WeakPolarHBondContact CE2-O 3.28Å; F966-F991 HydrophobicContact CB-CB 4.19Å; F966-F991 HydrophobicContact CD2-CB 4.05Å; F966-F991 HydrophobicContact CG-CB 4.46Å |
| 967 | C | 91.9 | Very high | 80.9 | Confident | 52 Ų | 52 | 89.9 Ų | 89.9 | 35% | 0.351 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 3.9 | -169.6 | 71.3 | 0 | 0 | 0 | 0 | 114.3 | C964 K969 | C964-C967 PolarHBondContact O-N 3.24Å; C967-K969 PolarHBondContact O-N 3.46Å |
| 968 | G | 89.1 | Confident | 82.3 | Confident | 56 Ų | 56 | 92.4 Ų | 92.4 | 58% | 0.577 | 45% | 0.452 | S | S | * | . | | | trans | 70.4 | -12.5 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | C964 R970 | C964-G968 WeakPolarHBondContact O-CA 3.3Å; C964-G968 PolarHBondContact O-N 2.94Å; G968-R970 PolarHBondContact O-N 3.28Å |
| 969 | K | 90.3 | Very high | 83.8 | Confident | 140 Ų | 140 | 88.9 Ų | 88.9 | 61% | 0.609 | 44% | 0.437 | S | S | * | . | | | trans | -60.3 | 123.8 | -176.1 | -68.6 | -166.3 | -70.8 | -177.2 | 0 | 111.4 | C964 C967 | C964-K969 PolarHBondContact N-O 3.41Å; C967-K969 PolarHBondContact O-N 3.46Å |
| 970 | R | 92 | Very high | 85 | Confident | 212 Ų | 212 | 88.8 Ų | 88.8 | 80% | 0.8 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 146 | 170.6 | -75.6 | -172.7 | -77.9 | -167.8 | -2.6 | 110 | V961 L962 H963 G968 | V961-R970 HydrophobicContact CG1-CB 3.79Å; V961-R970 HydrophobicContact CG1-CG 4.37Å; L962-R970 CarbonylContact O-C 3.56Å; L962-R970 VanDerWaalsContact O-CA 3.28Å; L962-R970 WeakPolarHBondContact O-CA 3.45Å; H963-R970 HydrophobicContact CB-CG 4.24Å; G968-R970 PolarHBondContact O-N 3.28Å |
| 971 | G | 86 | Confident | 85.8 | Confident | 16 Ų | 16 | 91.7 Ų | 91.7 | 17% | 0.165 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.4 | 158.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | L962 F976 | L962-G971 PolarHBondContact N-O 3.25Å; L962-G971 PolarHBondContact O-N 3.43Å; G971-F976 WeakPolarHBondContact O-CE2 3.19Å |
| 972 | H | 87.8 | Confident | 86.3 | Confident | 83 Ų | 83 | 88.9 Ų | 88.9 | 38% | 0.384 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 146.9 | 178.2 | -52.3 | 105.9 | 0 | 0 | 0 | 111.7 | H974 N975 | H972-H974 PolarHBondContact O-N 3.1Å; H972-N975 WeakPolarHBondContact O-CB 3.41Å; H972-N975 PolarHBondContact O-N 3.29Å; H972-N975 PolarHBondContact O-ND2 3.17Å |
| 973 | A | 82.9 | Confident | 86.4 | Confident | 35 Ų | 35 | 88.6 Ų | 88.6 | 29% | 0.289 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -50.8 | -24.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | L962 N975 F976 | L962-A973 HydrophobicContact CD1-CB 3.85Å; L962-A973 HydrophobicContact CG-CB 4.24Å; A973-N975 VanDerWaalsContact C-N 3.33Å; A973-F976 PolarHBondContact O-N 3.29Å |
| 974 | H | 80.8 | Confident | 86.4 | Confident | 120 Ų | 120 | 84.4 Ų | 84.4 | 56% | 0.556 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -73.9 | -18.5 | 175.4 | 68.8 | -92.1 | 0 | 0 | 0 | 114.4 | R959 H972 | R959-H974 PolarHBondContact NH2-ND1 3.03Å; H972-H974 PolarHBondContact O-N 3.1Å |
| 975 | N | 77.8 | Confident | 86.1 | Confident | 86 Ų | 86 | 88.3 Ų | 88.3 | 46% | 0.46 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -84.5 | 1 | 173 | -65.7 | -88.2 | 0 | 0 | 0 | 112.3 | H972 A973 C983 | H972-N975 WeakPolarHBondContact O-CB 3.41Å; H972-N975 PolarHBondContact O-N 3.29Å; H972-N975 PolarHBondContact O-ND2 3.17Å; A973-N975 VanDerWaalsContact C-N 3.33Å; N975-C983 WeakPolarHBondContact O-CA 3.3Å |
| 976 | F | 86 | Confident | 86.3 | Confident | 17 Ų | 17 | 87.5 Ų | 87.5 | 8% | 0.075 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -103.1 | 141 | 177.1 | -77.3 | -110.3 | 0 | 0 | 0 | 109.1 | L962 H963 C964 G971 A973 K980 C983 | L962-F976 VanDerWaalsContact C-CZ 3.43Å; L962-F976 HydrophobicContact CB-CD1 4.07Å; L962-F976 HydrophobicContact CB-CD2 3.93Å; L962-F976 HydrophobicContact CB-CE1 3.86Å; L962-F976 HydrophobicContact CB-CE2 3.75Å; L962-F976 HydrophobicContact CB-CG 4.12Å; L962-F976 HydrophobicContact CB-CZ 3.72Å; L962-F976 HydrophobicContact CD1-CB 4.31Å; L962-F976 HydrophobicContact CD1-CD1 4.4Å; L962-F976 HydrophobicContact CD1-CD2 4.42Å; L962-F976 HydrophobicContact CD1-CG 4.11Å; L962-F976 VanDerWaalsContact O-CZ 3.27Å; L962-F976 WeakPolarHBondContact O-CZ 3.45Å; H963-F976 VanDerWaalsContact C-CE1 3.49Å; C964-F976 HydrophobicContact CB-CE1 4.02Å; C964-F976 HydrophobicContact CB-CZ 4.17Å; G971-F976 WeakPolarHBondContact O-CE2 3.19Å; A973-F976 PolarHBondContact O-N 3.29Å; F976-K980 VanDerWaalsContact CD1-O 3.22Å; F976-K980 WeakPolarHBondContact CD1-O 3.42Å; F976-C983 HydrophobicContact CE2-CB 4.48Å; F976-C983 HydrophobicContact CZ-CB 4.4Å |
| 977 | M | 77.9 | Confident | 86.4 | Confident | 79 Ų | 79 | 84.7 Ų | 84.7 | 39% | 0.389 | 43% | 0.428 | S | S | . | . | | | trans | -59.9 | 164.9 | 171.8 | -65.5 | -162.7 | 76 | 0 | 0 | 110.6 | S979 K980 F982 S984 T985 | M977-S979 PolarHBondContact O-N 2.71Å; M977-K980 PolarHBondContact O-N 2.89Å; M977-F982 PolarHBondContact N-O 3.37Å; M977-S984 VanDerWaalsContact SD-C 3.5Å; M977-T985 HydrophobicContact CE-CG2 3.52Å; M977-T985 HydrophobicContact SD-CG2 3.6Å; M977-T985 PolarHBondContact SD-N 3.22Å |
| 978 | R | 74.7 | Confident | 86.3 | Confident | 259 Ų | 259 | 83.3 Ų | 83.3 | 98% | 0.977 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46 | -23.4 | -179.4 | -156.1 | 175 | -173.5 | 121 | -3.3 | 115.3 | | |
| 979 | S | 74.4 | Confident | 86.3 | Confident | 50 Ų | 50 | 90 Ų | 90 | 35% | 0.35 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -3.7 | 175.2 | 60.4 | 0 | 0 | 0 | 0 | 116.1 | M977 R981 | M977-S979 PolarHBondContact O-N 2.71Å; S979-R981 PolarHBondContact O-N 3.47Å |
| 980 | K | 83.1 | Confident | 86.3 | Confident | 147 Ų | 147 | 84.2 Ų | 84.2 | 64% | 0.639 | 41% | 0.407 | S | S | * | . | S | Bend | trans | 54.9 | -3.3 | -179.1 | -67.6 | -177.7 | -178.9 | 177.2 | 0 | 117.2 | L962 F976 M977 | L962-K980 HydrophobicContact CD1-CB 3.93Å; L962-K980 HydrophobicContact CD1-CG 4.21Å; F976-K980 VanDerWaalsContact CD1-O 3.22Å; F976-K980 WeakPolarHBondContact CD1-O 3.42Å; M977-K980 PolarHBondContact O-N 2.89Å |
| 981 | R | 89.8 | Confident | 86 | Confident | 156 Ų | 156 | 76.6 Ų | 76.6 | 59% | 0.589 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -97.5 | -18.1 | -178.5 | -67.8 | -177.2 | -76.3 | -97.4 | 8.4 | 114.9 | Q965 S979 | Q965-R981 PolarHBondContact N-O 2.93Å; Q965-R981 VanDerWaalsContact N-O 3.14Å; S979-R981 PolarHBondContact O-N 3.47Å |
| 982 | F | 93.4 | Very high | 85.9 | Confident | 17 Ų | 17 | 80.4 Ų | 80.4 | 8% | 0.075 | 40% | 0.397 | C | S | . | . | | | trans | -135.7 | 136.1 | -175.5 | -53.6 | -73 | 0 | 0 | 0 | 112.8 | Q965 F966 M977 S984 C987 A988 F991 | Q965-F982 HydrophobicContact CB-CE1 3.97Å; F966-F982 HydrophobicContact CB-CD1 4.27Å; F966-F982 HydrophobicContact CB-CE1 4.36Å; M977-F982 PolarHBondContact N-O 3.37Å; F982-S984 VanDerWaalsContact C-N 3.31Å; F982-C987 HydrophobicContact CB-CB 4.16Å; F982-C987 HydrophobicContact CD1-CB 4.27Å; F982-A988 HydrophobicContact CB-CB 4.15Å; F982-A988 HydrophobicContact CD2-CB 3.63Å; F982-A988 HydrophobicContact CE2-CB 4.17Å; F982-A988 HydrophobicContact CG-CB 3.83Å; F982-F991 HydrophobicContact CD1-CB 4.48Å; F982-F991 HydrophobicContact CE1-CB 3.54Å; F982-F991 HydrophobicContact CE1-CD1 4.17Å; F982-F991 HydrophobicContact CE1-CD2 4.01Å; F982-F991 AromaticContact CE1-CG 3.65Å; F982-F991 HydrophobicContact CE1-CG 3.65Å; F982-F991 HydrophobicContact CZ-CB 3.84Å; F982-F991 AromaticContact CZ-CD1 3.76Å; F982-F991 HydrophobicContact CZ-CD1 3.76Å; F982-F991 HydrophobicContact CZ-CD2 4.38Å; F982-F991 HydrophobicContact CZ-CE1 4.42Å; F982-F991 AromaticContact CZ-CG 3.73Å; F982-F991 HydrophobicContact CZ-CG 3.73Å |
| 983 | C | 91.8 | Very high | 85.8 | Confident | 36 Ų | 36 | 81.4 Ų | 81.4 | 24% | 0.243 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -82.3 | -2.8 | 177 | 70.7 | 0 | 0 | 0 | 0 | 114.2 | C964 N975 F976 | C964-C983 HydrophobicContact CB-CB 4.13Å; N975-C983 WeakPolarHBondContact O-CA 3.3Å; F976-C983 HydrophobicContact CE2-CB 4.48Å; F976-C983 HydrophobicContact CZ-CB 4.4Å |
| 984 | S | 90.1 | Very high | 85.5 | Confident | 38 Ų | 38 | 88 Ų | 88 | 27% | 0.266 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -163.1 | 163.3 | 171.9 | 71.4 | 0 | 0 | 0 | 0 | 112.9 | M977 F982 S986 C987 A988 | M977-S984 VanDerWaalsContact SD-C 3.5Å; F982-S984 VanDerWaalsContact C-N 3.31Å; S984-S986 VanDerWaalsContact C-N 3.29Å; S984-S986 PolarHBondContact O-N 3.24Å; S984-C987 WeakPolarHBondContact O-CB 3.45Å; S984-C987 PolarHBondContact O-N 3Å; S984-C987 VanDerWaalsContact O-N 3.11Å; S984-C987 PolarHBondContact OG-N 3.43Å; S984-C987 PolarHBondContact OG-SG 3.49Å; S984-A988 PolarHBondContact O-N 3.14Å; S984-A988 VanDerWaalsContact O-N 3.09Å |
| 985 | T | 89.1 | Confident | 85.1 | Confident | 83 Ų | 83 | 86 Ų | 86 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.2 | -42.7 | 172.9 | 46.8 | 0 | 0 | 0 | 0 | 111.6 | M977 C987 A988 R989 | M977-T985 HydrophobicContact CE-CG2 3.52Å; M977-T985 HydrophobicContact SD-CG2 3.6Å; M977-T985 PolarHBondContact SD-N 3.22Å; T985-C987 VanDerWaalsContact C-N 3.29Å; T985-C987 PolarHBondContact O-N 2.79Å; T985-A988 PolarHBondContact O-N 3.3Å; T985-R989 WeakPolarHBondContact O-CG 3.44Å; T985-R989 PolarHBondContact O-N 3.14Å |
| 986 | S | 92.1 | Very high | 84.9 | Confident | 86 Ų | 86 | 85.7 Ų | 85.7 | 60% | 0.601 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.7 | -36.9 | 175.9 | -49.8 | 0 | 0 | 0 | 0 | 112.3 | S984 G990 | S984-S986 VanDerWaalsContact C-N 3.29Å; S984-S986 PolarHBondContact O-N 3.24Å; S986-G990 PolarHBondContact O-N 3.05Å |
| 987 | C | 93.3 | Very high | 84.2 | Confident | 11 Ų | 11 | 92.8 Ų | 92.8 | 7% | 0.074 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -67.8 | -44.3 | 174.8 | -68.3 | 0 | 0 | 0 | 0 | 112.1 | F966 F982 S984 T985 G990 F991 | F966-C987 HydrophobicContact CB-CB 3.91Å; F966-C987 WeakPolarHBondContact CB-O 3.48Å; F966-C987 HydrophobicContact CD1-CB 4.01Å; F966-C987 HydrophobicContact CG-CB 4.34Å; F966-C987 WeakPolarHBondContact CG-O 3.48Å; F982-C987 HydrophobicContact CB-CB 4.16Å; F982-C987 HydrophobicContact CD1-CB 4.27Å; S984-C987 WeakPolarHBondContact O-CB 3.45Å; S984-C987 PolarHBondContact O-N 3Å; S984-C987 VanDerWaalsContact O-N 3.11Å; S984-C987 PolarHBondContact OG-N 3.43Å; S984-C987 PolarHBondContact OG-SG 3.49Å; T985-C987 VanDerWaalsContact C-N 3.29Å; T985-C987 PolarHBondContact O-N 2.79Å; C987-G990 PolarHBondContact O-N 3Å; C987-F991 WeakPolarHBondContact O-CB 3.35Å; C987-F991 PolarHBondContact O-N 3.31Å |
| 988 | A | 90.6 | Very high | 83.9 | Confident | 22 Ų | 22 | 97.9 Ų | 97.9 | 18% | 0.182 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | F982 S984 T985 F991 N992 | F982-A988 HydrophobicContact CB-CB 4.15Å; F982-A988 HydrophobicContact CD2-CB 3.63Å; F982-A988 HydrophobicContact CE2-CB 4.17Å; F982-A988 HydrophobicContact CG-CB 3.83Å; S984-A988 PolarHBondContact O-N 3.14Å; S984-A988 VanDerWaalsContact O-N 3.09Å; T985-A988 PolarHBondContact O-N 3.3Å; A988-F991 PolarHBondContact O-N 3.4Å; A988-N992 PolarHBondContact O-N 3.33Å; A988-N992 PolarHBondContact O-ND2 3.25Å |
| 989 | R | 89.5 | Confident | 83.4 | Confident | 197 Ų | 197 | 90.1 Ų | 90.1 | 74% | 0.743 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.4 | -42.9 | 177.4 | -66.8 | 178.3 | 82 | 165.7 | 5.9 | 111.8 | T985 F991 N992 V993 | T985-R989 WeakPolarHBondContact O-CG 3.44Å; T985-R989 PolarHBondContact O-N 3.14Å; R989-F991 VanDerWaalsContact C-N 3.35Å; R989-F991 PolarHBondContact O-N 3Å; R989-N992 PolarHBondContact O-N 3.11Å; R989-V993 WeakPolarHBondContact O-CG2 3.46Å; R989-V993 PolarHBondContact O-N 3.3Å; R989-V993 VanDerWaalsContact O-N 3.16Å |
| 990 | G | 88.4 | Confident | 83 | Confident | 18 Ų | 18 | 96.8 Ų | 96.8 | 19% | 0.186 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F966 S986 C987 V993 R994 | F966-G990 VanDerWaalsContact CD2-C 3.43Å; F966-G990 WeakPolarHBondContact CE2-O 3.28Å; S986-G990 PolarHBondContact O-N 3.05Å; C987-G990 PolarHBondContact O-N 3Å; G990-V993 PolarHBondContact O-N 2.92Å; G990-R994 WeakPolarHBondContact O-CB 3.38Å; G990-R994 PolarHBondContact O-N 2.85Å |
| 991 | F | 87.1 | Confident | 81.9 | Confident | 53 Ų | 53 | 92.8 Ų | 92.8 | 23% | 0.232 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.3 | -48.6 | 176.6 | -173.6 | -96 | 0 | 0 | 0 | 111.8 | Q965 F966 F982 C987 A988 R989 V993 R994 L995 | Q965-F991 HydrophobicContact CB-CE2 4.32Å; Q965-F991 HydrophobicContact CG-CD2 4.45Å; Q965-F991 HydrophobicContact CG-CE2 3.79Å; Q965-F991 HydrophobicContact CG-CZ 4.28Å; F966-F991 HydrophobicContact CB-CB 4.19Å; F966-F991 HydrophobicContact CD2-CB 4.05Å; F966-F991 HydrophobicContact CG-CB 4.46Å; F982-F991 HydrophobicContact CD1-CB 4.48Å; F982-F991 HydrophobicContact CE1-CB 3.54Å; F982-F991 HydrophobicContact CE1-CD1 4.17Å; F982-F991 HydrophobicContact CE1-CD2 4.01Å; F982-F991 AromaticContact CE1-CG 3.65Å; F982-F991 HydrophobicContact CE1-CG 3.65Å; F982-F991 HydrophobicContact CZ-CB 3.84Å; F982-F991 AromaticContact CZ-CD1 3.76Å; F982-F991 HydrophobicContact CZ-CD1 3.76Å; F982-F991 HydrophobicContact CZ-CD2 4.38Å; F982-F991 HydrophobicContact CZ-CE1 4.42Å; F982-F991 AromaticContact CZ-CG 3.73Å; F982-F991 HydrophobicContact CZ-CG 3.73Å; C987-F991 WeakPolarHBondContact O-CB 3.35Å; C987-F991 PolarHBondContact O-N 3.31Å; A988-F991 PolarHBondContact O-N 3.4Å; R989-F991 VanDerWaalsContact C-N 3.35Å; R989-F991 PolarHBondContact O-N 3Å; F991-V993 PolarHBondContact O-N 3.45Å; F991-R994 PolarHBondContact O-N 2.94Å; F991-L995 HydrophobicContact CE1-CD2 4.29Å; F991-L995 WeakPolarHBondContact O-CB 3.48Å; F991-L995 PolarHBondContact O-N 3.46Å |
| 992 | N | 84.3 | Confident | 80.3 | Confident | 95 Ų | 95 | 90.6 Ų | 90.6 | 51% | 0.508 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.1 | -47.9 | 178.2 | -79.5 | -83.5 | 0 | 0 | 0 | 111.8 | A988 R989 R994 L995 T996 | A988-N992 PolarHBondContact O-N 3.33Å; A988-N992 PolarHBondContact O-ND2 3.25Å; R989-N992 PolarHBondContact O-N 3.11Å; N992-R994 VanDerWaalsContact C-N 3.33Å; N992-R994 PolarHBondContact O-N 3.08Å; N992-L995 PolarHBondContact O-N 3.02Å; N992-T996 PolarHBondContact O-N 3.3Å; N992-T996 PolarHBondContact O-OG1 3.32Å; N992-T996 VanDerWaalsContact O-OG1 3.05Å |
| 993 | V | 84.1 | Confident | 78.1 | Confident | 105 Ų | 105 | 95 Ų | 95 | 64% | 0.636 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.2 | -40.5 | 177.2 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | R989 G990 F991 K997 | R989-V993 WeakPolarHBondContact O-CG2 3.46Å; R989-V993 PolarHBondContact O-N 3.3Å; R989-V993 VanDerWaalsContact O-N 3.16Å; G990-V993 PolarHBondContact O-N 2.92Å; F991-V993 PolarHBondContact O-N 3.45Å; V993-K997 WeakPolarHBondContact O-CB 3.28Å; V993-K997 PolarHBondContact O-N 2.92Å |
| 994 | R | 77.9 | Confident | 75.8 | Confident | 174 Ų | 174 | 97.6 Ų | 97.6 | 66% | 0.657 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.6 | -35.5 | 178.6 | -155.8 | 174.4 | -166.1 | 172.3 | 3.5 | 111.9 | G990 F991 N992 K997 R998 | G990-R994 WeakPolarHBondContact O-CB 3.38Å; G990-R994 PolarHBondContact O-N 2.85Å; F991-R994 PolarHBondContact O-N 2.94Å; N992-R994 VanDerWaalsContact C-N 3.33Å; N992-R994 PolarHBondContact O-N 3.08Å; R994-K997 PolarHBondContact O-N 3.24Å; R994-R998 WeakPolarHBondContact O-CB 3.33Å; R994-R998 PolarHBondContact O-N 3.25Å |
| 995 | L | 71.6 | Confident | 73.7 | Confident | 76 Ų | 76 | 98.5 Ų | 98.5 | 40% | 0.398 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.6 | -49.8 | 173.5 | -178 | 61.7 | 0 | 0 | 0 | 111.1 | F991 N992 K997 R998 L999 | F991-L995 HydrophobicContact CE1-CD2 4.29Å; F991-L995 WeakPolarHBondContact O-CB 3.48Å; F991-L995 PolarHBondContact O-N 3.46Å; N992-L995 PolarHBondContact O-N 3.02Å; L995-K997 VanDerWaalsContact C-N 3.26Å; L995-K997 PolarHBondContact O-N 2.83Å; L995-R998 PolarHBondContact O-N 2.9Å; L995-R998 VanDerWaalsContact O-N 3.08Å; L995-L999 HydrophobicContact CD1-CD1 4.35Å; L995-L999 HydrophobicContact CD1-CG 4.36Å; L995-L999 HydrophobicContact CG-CD1 4.08Å; L995-L999 WeakPolarHBondContact O-CG 3.45Å; L995-L999 PolarHBondContact O-N 3.1Å |
| 996 | T | 73.6 | Confident | 71.1 | Confident | 80 Ų | 80 | 99.8 Ų | 99.8 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.7 | -37.8 | 175.1 | -48.6 | 0 | 0 | 0 | 0 | 111.9 | N992 R1000 | N992-T996 PolarHBondContact O-N 3.3Å; N992-T996 PolarHBondContact O-OG1 3.32Å; N992-T996 VanDerWaalsContact O-OG1 3.05Å; T996-R1000 WeakPolarHBondContact O-CB 3.33Å; T996-R1000 PolarHBondContact O-N 3.31Å |
| 997 | K | 72.6 | Confident | 68.5 | Low | 167 Ų | 167 | 107.4 Ų | 107.4 | 73% | 0.726 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.5 | -37.6 | 175 | -170.3 | 171 | -178.7 | 176.7 | 0 | 112.6 | V993 R994 L995 A1001 | V993-K997 WeakPolarHBondContact O-CB 3.28Å; V993-K997 PolarHBondContact O-N 2.92Å; R994-K997 PolarHBondContact O-N 3.24Å; L995-K997 VanDerWaalsContact C-N 3.26Å; L995-K997 PolarHBondContact O-N 2.83Å; K997-A1001 PolarHBondContact O-N 3.25Å; K997-A1001 VanDerWaalsContact O-N 3.1Å |
| 998 | R | 69.9 | Low | 65.9 | Low | 186 Ų | 186 | 112.3 Ų | 112.3 | 70% | 0.702 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.8 | -43.7 | 175.8 | -166 | 175.6 | -171.4 | 174 | 2.3 | 111.6 | R994 L995 R1000 A1001 L1002 | R994-R998 WeakPolarHBondContact O-CB 3.33Å; R994-R998 PolarHBondContact O-N 3.25Å; L995-R998 PolarHBondContact O-N 2.9Å; L995-R998 VanDerWaalsContact O-N 3.08Å; R998-R1000 PolarHBondContact O-N 3.07Å; R998-A1001 WeakPolarHBondContact O-CB 3.38Å; R998-A1001 PolarHBondContact O-N 3.31Å; R998-A1001 VanDerWaalsContact O-N 3.17Å; R998-L1002 HydrophobicContact CG-CD1 4.45Å; R998-L1002 WeakPolarHBondContact O-CG 3.36Å; R998-L1002 PolarHBondContact O-N 3.35Å |
| 999 | L | 64.3 | Low | 63.1 | Low | 96 Ų | 96 | 120.4 Ų | 120.4 | 50% | 0.503 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -59.2 | -46 | 174 | -69.5 | 169.2 | 0 | 0 | 0 | 111.3 | L995 A1001 L1002 S1003 | L995-L999 HydrophobicContact CD1-CD1 4.35Å; L995-L999 HydrophobicContact CD1-CG 4.36Å; L995-L999 HydrophobicContact CG-CD1 4.08Å; L995-L999 WeakPolarHBondContact O-CG 3.45Å; L995-L999 PolarHBondContact O-N 3.1Å; L999-A1001 VanDerWaalsContact C-N 3.28Å; L999-A1001 PolarHBondContact O-N 2.91Å; L999-L1002 PolarHBondContact O-N 3.43Å; L999-S1003 PolarHBondContact O-N 2.96Å; L999-S1003 PolarHBondContact O-OG 3.15Å; L999-S1003 VanDerWaalsContact O-OG 3.13Å |
| 1000 | R | 67.5 | Low | 60.3 | Low | 189 Ų | 189 | 121.8 Ų | 121.8 | 71% | 0.713 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.8 | -32.6 | 175.6 | -172.6 | 177.7 | -64.7 | -172.3 | -0.6 | 113.4 | T996 R998 A1004 | T996-R1000 WeakPolarHBondContact O-CB 3.33Å; T996-R1000 PolarHBondContact O-N 3.31Å; R998-R1000 PolarHBondContact O-N 3.07Å; R1000-A1004 PolarHBondContact O-N 3.09Å |
| 1001 | A | 59 | Low | 57.9 | Low | 64 Ų | 64 | 126.7 Ų | 126.7 | 53% | 0.529 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -70.8 | -41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K997 R998 L999 S1003 A1004 G1005 | K997-A1001 PolarHBondContact O-N 3.25Å; K997-A1001 VanDerWaalsContact O-N 3.1Å; R998-A1001 WeakPolarHBondContact O-CB 3.38Å; R998-A1001 PolarHBondContact O-N 3.31Å; R998-A1001 VanDerWaalsContact O-N 3.17Å; L999-A1001 VanDerWaalsContact C-N 3.28Å; L999-A1001 PolarHBondContact O-N 2.91Å; A1001-S1003 VanDerWaalsContact C-N 3.35Å; A1001-S1003 PolarHBondContact O-N 3.44Å; A1001-A1004 PolarHBondContact O-N 2.88Å; A1001-G1005 PolarHBondContact O-N 3.28Å |
| 1002 | L | 55.4 | Low | 55.2 | Low | 110 Ų | 110 | 135.8 Ų | 135.8 | 58% | 0.576 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -64.4 | -37.6 | 175.5 | -66.7 | 167.1 | 0 | 0 | 0 | 111.9 | R998 L999 A1004 G1005 | R998-L1002 HydrophobicContact CG-CD1 4.45Å; R998-L1002 WeakPolarHBondContact O-CG 3.36Å; R998-L1002 PolarHBondContact O-N 3.35Å; L999-L1002 PolarHBondContact O-N 3.43Å; L1002-A1004 PolarHBondContact O-N 2.79Å; L1002-G1005 PolarHBondContact O-N 2.97Å |
| 1003 | S | 48.9 | Very low | 53.2 | Low | 110 Ų | 110 | 137.5 Ų | 137.5 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -8.8 | 171.9 | -55.1 | 0 | 0 | 0 | 0 | 114.6 | L999 A1001 | L999-S1003 PolarHBondContact O-N 2.96Å; L999-S1003 PolarHBondContact O-OG 3.15Å; L999-S1003 VanDerWaalsContact O-OG 3.13Å; A1001-S1003 VanDerWaalsContact C-N 3.35Å; A1001-S1003 PolarHBondContact O-N 3.44Å |
| 1004 | A | 42.9 | Very low | 50.7 | Low | 90 Ų | 90 | 137.1 Ų | 137.1 | 74% | 0.744 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | 1.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1000 A1001 L1002 | R1000-A1004 PolarHBondContact O-N 3.09Å; A1001-A1004 PolarHBondContact O-N 2.88Å; L1002-A1004 PolarHBondContact O-N 2.79Å |
| 1005 | G | 46 | Very low | 48.5 | Very low | 56 Ų | 56 | 136.2 Ų | 136.2 | 58% | 0.577 | 72% | 0.722 | S | S | * | * | | | trans | -169.8 | 99 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | A1001 L1002 | A1001-G1005 PolarHBondContact O-N 3.28Å; L1002-G1005 PolarHBondContact O-N 2.97Å |
| 1006 | S | 33.6 | Very low | 46.7 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | | | trans | -143.4 | 95.2 | 164.4 | -172.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1007 | R | 39.1 | Very low | 44.7 | Very low | 245 Ų | 245 | 147 Ų | 147 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | | | trans | -86.7 | 144 | 145.2 | -90.9 | -175.2 | 166.7 | -118.3 | -0.1 | 106.5 | E1009 | R1007-E1009 PolarHBondContact O-N 3.39Š|
| 1008 | S | 37.3 | Very low | 42.6 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | -65.3 | 126 | -174 | -172.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1009 | E | 32.1 | Very low | 40.6 | Very low | 191 Ų | 191 | 143.3 Ų | 143.3 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | | | trans | -125.8 | 134.2 | 158 | -161.2 | 178.6 | 127.5 | 0 | 0 | 107.9 | R1007 | R1007-E1009 PolarHBondContact O-N 3.39Š|
| 1010 | R | 31.6 | Very low | 39 | Very low | 226 Ų | 226 | 144.5 Ų | 144.5 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | -117 | 113.6 | -163.1 | -168.9 | -176.9 | -165.2 | 174.2 | 5 | 109.3 | | |
| 1011 | P | 36.8 | Very low | 37.1 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | | | trans | -70.6 | 145.6 | -175.1 | 28.4 | -34.6 | 0 | 0 | 0 | 112.1 | | |
| 1012 | R | 31 | Very low | 36.2 | Very low | 244 Ų | 244 | 143.7 Ų | 143.7 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | trans | -115.9 | 151.1 | 160.2 | -87.3 | -176.3 | 168.1 | 172.5 | -3.9 | 109.5 | | |
| 1013 | P | 41.8 | Very low | 34.8 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | -97.6 | 147.6 | -169.6 | 36.7 | -34.3 | 0 | 0 | 0 | 114.1 | | |
| 1014 | A | 32.7 | Very low | 33.9 | Very low | 97 Ų | 97 | 145.3 Ų | 145.3 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | trans | -158.7 | 119.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1015 | L | 30.8 | Very low | 33.9 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | trans | 19.2 | 131.6 | 143.2 | -60.6 | 168.7 | 0 | 0 | 0 | 122.5 | | |
| 1016 | N | 33.7 | Very low | 33 | Very low | 137 Ų | 137 | 150.6 Ų | 150.6 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | | | trans | 72.4 | 107.4 | 130.3 | -67.9 | -18.4 | 0 | 0 | 0 | 123.7 | | |
| 1017 | R | 31.8 | Very low | 32.7 | Very low | 244 Ų | 244 | 151.8 Ų | 151.8 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | | | | 94.8 | 149.5 | 111.3 | -165.9 | 174.2 | -177.2 | 125.7 | 0.9 | 120.2 | | |
| 1018 | A | 28.3 | Very low | 32.1 | Very low | 94 Ų | 94 | 145.9 Ų | 145.9 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | | | trans | 82.7 | 133.4 | 165 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1019 | E | 28.3 | Very low | 31.7 | Very low | 183 Ų | 183 | 150.8 Ų | 150.8 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | trans | -86.7 | 150.5 | 175.4 | -61.1 | 147.8 | 89.3 | 0 | 0 | 111.4 | | |
| 1020 | S | 29.7 | Very low | 31.5 | Very low | 121 Ų | 121 | 149.3 Ų | 149.3 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -178.2 | 113.1 | 136 | -86.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1021 | V | 29.3 | Very low | 32 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | -155.8 | 135.4 | 171.1 | 174.8 | 0 | 0 | 0 | 0 | 105.6 | | |
| 1022 | P | 39.2 | Very low | 31.4 | Very low | 94 Ų | 94 | 148.6 Ų | 148.6 | 61% | 0.61 | 79% | 0.79 | S | S | * | * | | | cis | -137.3 | 150.7 | 29.8 | 31.1 | -9.5 | 0 | 0 | 0 | 118.5 | | |
| 1023 | G | 27.2 | Very low | 31.3 | Very low | 78 Ų | 78 | 142.5 Ų | 142.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | -117.6 | 141.2 | 151.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1024 | K | 29.5 | Very low | 30.5 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | | | trans | -149.9 | 169.6 | -177.8 | -61.9 | 168.1 | -174.3 | 155.9 | 0 | 106.4 | | |
| 1025 | P | 41.4 | Very low | 30.1 | Very low | 107 Ų | 107 | 148.5 Ų | 148.5 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | | | cis | -149.2 | -172.9 | 20.6 | 36.1 | -10.8 | 0 | 0 | 0 | 117.2 | | |
| 1026 | L | 28.9 | Very low | 30.1 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | | | trans | 69.9 | 152.8 | 159.1 | -47.6 | -172.8 | 0 | 0 | 0 | 118 | | |
| 1027 | L | 26.3 | Very low | 29.7 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | | | cis | -163.5 | 175.8 | -18.7 | -116.4 | 176.4 | 0 | 0 | 0 | 112.8 | | |
| 1028 | L | 27.4 | Very low | 29.4 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | | | trans | 83.6 | 134.8 | 147.5 | -80.7 | 151.7 | 0 | 0 | 0 | 122.2 | | |
| 1029 | R | 28.1 | Very low | 29.4 | Very low | 217 Ų | 217 | 142.6 Ų | 142.6 | 82% | 0.819 | 77% | 0.769 | S | S | * | * | | | trans | 57.1 | 118.4 | 156 | -74.7 | 171 | 156.4 | 98 | -3.2 | 118.7 | | |
| 1030 | L | 27.2 | Very low | 29.6 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | cis | 71.6 | 134 | 36.8 | -157.1 | 86.7 | 0 | 0 | 0 | 113.5 | | |
| 1031 | P | 42.7 | Very low | 29.5 | Very low | 111 Ų | 111 | 148.5 Ų | 148.5 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | cis | -137.5 | -170 | -36.3 | 41.5 | -25.4 | 0 | 0 | 0 | 113.7 | | |
| 1032 | R | 25.3 | Very low | 29.9 | Very low | 223 Ų | 223 | 149.9 Ų | 149.9 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | | | trans | 129.7 | 164.9 | 138.3 | -157.9 | 160.5 | -169.6 | -177.7 | 2.9 | 115.7 | | |
| 1033 | D | 27.3 | Very low | 29.6 | Very low | 116 Ų | 116 | 152.1 Ų | 152.1 | 62% | 0.62 | 77% | 0.774 | S | S | * | * | | | trans | -58.6 | 163.7 | -173.3 | -38.6 | -71.8 | 0 | 0 | 0 | 115.1 | | |
| 1034 | L | 25.2 | Very low | 29.9 | Very low | 155 Ų | 155 | 152.3 Ų | 152.3 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | 72.2 | 152.7 | 167.6 | -57.6 | 165.8 | 0 | 0 | 0 | 114.8 | | |
| 1035 | W | 25.4 | Very low | 29.8 | Very low | 199 Ų | 199 | 152.6 Ų | 152.6 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | cis | -171 | 145.1 | -12.3 | 158.7 | -73.2 | 0 | 0 | 0 | 108.1 | A1037 | W1035-A1037 HydrophobicContact CZ2-CB 4.1Š|
| 1036 | S | 30.1 | Very low | 29.1 | Very low | 128 Ų | 128 | 154.9 Ų | 154.9 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | | | trans | -141.7 | 62.2 | 175.1 | -61.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1037 | A | 24.7 | Very low | 29 | Very low | 63 Ų | 63 | 157 Ų | 157 | 52% | 0.521 | 78% | 0.781 | S | S | . | * | S | Bend | trans | -70.9 | 144.9 | 140.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | W1035 R1039 | W1035-A1037 HydrophobicContact CZ2-CB 4.1Å; A1037-R1039 PolarHBondContact O-N 3.03Å |
| 1038 | G | 27.1 | Very low | 29.7 | Very low | 87 Ų | 87 | 155.4 Ų | 155.4 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | | | trans | -63.4 | 133.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1039 | R | 27.5 | Very low | 29.5 | Very low | 227 Ų | 227 | 154.5 Ų | 154.5 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | | | trans | -109.9 | 121.9 | 170.1 | -179.5 | -132.4 | -70.4 | -90.6 | 1.1 | 108.9 | A1037 | A1037-R1039 PolarHBondContact O-N 3.03Š|
| 1040 | R | 31.8 | Very low | 29.3 | Very low | 243 Ų | 243 | 148.8 Ų | 148.8 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | | | trans | -144.5 | 97.2 | 154.3 | -147.4 | -179.1 | -156.4 | -85.7 | 4.7 | 110.4 | | |
| 1041 | E | 28.8 | Very low | 29.4 | Very low | 186 Ų | 186 | 145.5 Ų | 145.5 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | | | trans | -144.7 | 144 | 166.8 | -139.3 | -178.9 | 133.1 | 0 | 0 | 106.8 | | |
| 1042 | K | 36.4 | Very low | 28.5 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 74% | 0.735 | 78% | 0.784 | S | S | * | * | | | trans | -146.5 | 128.9 | -170.9 | 175.3 | -178.8 | 172.4 | -173.7 | 0 | 109.1 | | |
| 1043 | D | 33.9 | Very low | 28.6 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | 48.1 | 102.6 | 163.5 | -50.7 | -24.5 | 0 | 0 | 0 | 117.4 | | |
| 1044 | G | 32.7 | Very low | 28.5 | Very low | 81 Ų | 81 | 145.9 Ų | 145.9 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | | | trans | -110.3 | -174.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1045 | K | 28 | Very low | 28.7 | Very low | 183 Ų | 183 | 142 Ų | 142 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | | | trans | -159.9 | 135.7 | 167.8 | -160.3 | 163.5 | 175.4 | 175.8 | 0 | 114 | | |
| 1046 | E | 26.1 | Very low | 28.8 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | | | trans | 30.6 | 124.1 | 157.2 | -61.5 | -179.2 | 88.2 | 0 | 0 | 124.8 | | |
| 1047 | K | 27.2 | Very low | 28.7 | Very low | 192 Ų | 192 | 139.7 Ų | 139.7 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | | | trans | 55.6 | 160.6 | 138.6 | -87.6 | -163.4 | 168.7 | -179.6 | 0 | 122.1 | | |
| 1048 | P | 39.9 | Very low | 29 | Very low | 104 Ų | 104 | 144.6 Ų | 144.6 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | | | cis | -142.5 | 155.8 | -34 | 38.1 | -20 | 0 | 0 | 0 | 117.4 | | |
| 1049 | A | 24 | Very low | 29 | Very low | 102 Ų | 102 | 146.6 Ų | 146.6 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | | | trans | 69.1 | 170.8 | 144 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 1050 | A | 24.9 | Very low | 29 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | | | trans | 69.9 | 132.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 1051 | A | 27.9 | Very low | 28.8 | Very low | 91 Ų | 91 | 136.7 Ų | 136.7 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | | | cis | 74.6 | 140.6 | 49.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1052 | E | 24.8 | Very low | 29 | Very low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | | | cis | -162.6 | 171.4 | -3.1 | -141.2 | -166.3 | 117.8 | 0 | 0 | 109.3 | | |
| 1053 | Q | 27.1 | Very low | 28.7 | Very low | 156 Ų | 156 | 131.6 Ų | 131.6 | 73% | 0.729 | 74% | 0.739 | S | S | * | * | | | trans | 59.8 | -168.9 | 158.6 | -71.8 | 174.2 | 41.2 | 0 | 0 | 115.3 | | |
| 1054 | K | 24.7 | Very low | 28.4 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | | | | -154.4 | 170 | -56.1 | 170.9 | -173.2 | 167.1 | -65.3 | 0 | 105.1 | E1056 | K1054-E1056 VanDerWaalsContact NZ-CD 3.25Å; K1054-E1056 IonicContact NZ-OE1 2.64Å; K1054-E1056 PolarHBondContact NZ-OE1 2.93Å; K1054-E1056 IonicContact NZ-OE2 3Å; K1054-E1056 PolarHBondContact NZ-OE2 3.39Å |
| 1055 | A | 29.8 | Very low | 28.6 | Very low | 72 Ų | 72 | 131.2 Ų | 131.2 | 60% | 0.595 | 74% | 0.742 | S | S | * | * | | | trans | 75.1 | 158.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 1056 | E | 27.3 | Very low | 29.5 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 59% | 0.589 | 74% | 0.737 | S | S | * | * | | | cis | -149.4 | 160.9 | -32.1 | -122.1 | 97.7 | -106.2 | 0 | 0 | 106.9 | K1054 | K1054-E1056 VanDerWaalsContact NZ-CD 3.25Å; K1054-E1056 IonicContact NZ-OE1 2.64Å; K1054-E1056 PolarHBondContact NZ-OE1 2.93Å; K1054-E1056 IonicContact NZ-OE2 3Å; K1054-E1056 PolarHBondContact NZ-OE2 3.39Å |
| 1057 | E | 28.4 | Very low | 29.5 | Very low | 153 Ų | 153 | 128.8 Ų | 128.8 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | | | trans | 25.4 | 137 | 142.7 | -67 | 158.7 | 178.4 | 0 | 0 | 122.7 | | |
| 1058 | E | 29.8 | Very low | 29.5 | Very low | 166 Ų | 166 | 122.7 Ų | 122.7 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | | | trans | 68 | 153.6 | 131.7 | -69 | 173.4 | -173.1 | 0 | 0 | 119.4 | | |
| 1059 | D | 28.5 | Very low | 28.8 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 69% | 0.69 | 74% | 0.741 | S | S | * | * | | | cis | -152 | 178.3 | -15.3 | -137.3 | -27.4 | 0 | 0 | 0 | 112.5 | | |
| 1060 | D | 27.2 | Very low | 29 | Very low | 139 Ų | 139 | 125 Ų | 125 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | | | trans | 35.6 | 147.6 | 143.8 | -100.6 | -21.8 | 0 | 0 | 0 | 126.1 | | |
| 1061 | D | 27.1 | Very low | 29.6 | Very low | 124 Ų | 124 | 129 Ų | 129 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | | | trans | 67.3 | 115.6 | 142.7 | -142.4 | -135 | 0 | 0 | 0 | 125.4 | | |
| 1062 | M | 34.2 | Very low | 30.1 | Very low | 170 Ų | 170 | 128.9 Ų | 128.9 | 84% | 0.837 | 73% | 0.734 | S | S | * | * | | | trans | 28.6 | 90.2 | 132.2 | -154.8 | 179.3 | -23.3 | 0 | 0 | 120.4 | | |
| 1063 | G | 28.2 | Very low | 30.9 | Very low | 77 Ų | 77 | 129.9 Ų | 129.9 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | | | trans | -117.7 | 135.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1064 | A | 29.1 | Very low | 31.3 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | | | trans | -79.9 | 145.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1065 | S | 36.4 | Very low | 32.2 | Very low | 112 Ų | 112 | 129 Ų | 129 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | | | trans | -58.7 | 152.4 | 148 | -56.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1066 | P | 46.1 | Very low | 33 | Very low | 108 Ų | 108 | 133 Ų | 133 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | cis | -157.2 | -173.5 | 42.2 | 44.7 | -23.7 | 0 | 0 | 0 | 119 | | |
| 1067 | H | 27.3 | Very low | 33.9 | Very low | 179 Ų | 179 | 133.9 Ų | 133.9 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | | | trans | 73.7 | 148.3 | 151.1 | -81 | -70.3 | 0 | 0 | 0 | 122.2 | | |
| 1068 | G | 26.7 | Very low | 34.3 | Very low | 64 Ų | 64 | 134 Ų | 134 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | | | trans | 122.4 | 113.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1069 | F | 25.1 | Very low | 35.1 | Very low | 189 Ų | 189 | 129.1 Ų | 129.1 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | | | cis | 59.7 | 133.1 | 33.3 | -70.4 | -80.3 | 0 | 0 | 0 | 113.9 | | |
| 1070 | G | 27.9 | Very low | 35.4 | Very low | 65 Ų | 65 | 126.6 Ų | 126.6 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | | | cis | -120.6 | -178.9 | -10.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1071 | E | 37.2 | Very low | 36.6 | Very low | 183 Ų | 183 | 129.7 Ų | 129.7 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | cis | 72 | 102.4 | 33 | -64.8 | -173.6 | 148.9 | 0 | 0 | 114.7 | | |
| 1072 | A | 38.9 | Very low | 37.6 | Very low | 87 Ų | 87 | 132 Ų | 132 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | | | trans | -177.1 | 147.8 | 165 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1073 | E | 42.2 | Very low | 38.5 | Very low | 176 Ų | 176 | 128.3 Ų | 128.3 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | cis | -159.6 | -155.3 | -12.3 | -117.2 | 153.9 | -170.7 | 0 | 0 | 109 | | |
| 1074 | D | 36 | Very low | 39.7 | Very low | 147 Ų | 147 | 129.3 Ų | 129.3 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | | | trans | 71.1 | 96.2 | -175.9 | -46.7 | -58.1 | 0 | 0 | 0 | 114.6 | | |
| 1075 | D | 43.5 | Very low | 40.7 | Very low | 140 Ų | 140 | 127 Ų | 127 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | | | | 86.9 | 145.9 | 72.4 | -75.6 | -53.4 | 0 | 0 | 0 | 114.3 | | |
| 1076 | D | 45.2 | Very low | 41.6 | Very low | 154 Ų | 154 | 125.8 Ų | 125.8 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | | | cis | -129.3 | 156.8 | 12.6 | -63.7 | -94.2 | 0 | 0 | 0 | 115.6 | | |
| 1077 | D | 46.1 | Very low | 42 | Very low | 146 Ų | 146 | 123.5 Ų | 123.5 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | | | trans | -9.8 | 145.4 | 155.8 | -159.8 | -133.6 | 0 | 0 | 0 | 125.8 | | |
| 1078 | D | 37.8 | Very low | 43.4 | Very low | 154 Ų | 154 | 121.3 Ų | 121.3 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | | | | -167.1 | 153.5 | 119 | -172.5 | -155.1 | 0 | 0 | 0 | 110.1 | | |
| 1079 | G | 45.6 | Very low | 45.1 | Very low | 64 Ų | 64 | 120.9 Ų | 120.9 | 66% | 0.66 | 70% | 0.704 | S | S | * | * | | | trans | -95.2 | 144.8 | -165.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1080 | G | 36.7 | Very low | 46.6 | Very low | 77 Ų | 77 | 113.3 Ų | 113.3 | 79% | 0.794 | 68% | 0.676 | S | S | * | * | | | trans | -161.1 | 110.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1081 | E | 50.7 | Low | 48.3 | Very low | 204 Ų | 204 | 119 Ų | 119 | 95% | 0.953 | 68% | 0.678 | S | S | * | * | | | trans | -87.4 | 112.6 | -178.8 | 60.5 | -165 | 118.3 | 0 | 0 | 112.2 | | |
| 1082 | E | 48.9 | Very low | 50 | Low | 173 Ų | 173 | 117.4 Ų | 117.4 | 81% | 0.808 | 67% | 0.672 | S | S | * | * | | | trans | -133.2 | 144.3 | 170.3 | 64.9 | 172.9 | 125.5 | 0 | 0 | 113.1 | | |
| 1083 | D | 53.2 | Low | 51.1 | Low | 92 Ų | 92 | 120 Ų | 120 | 49% | 0.492 | 67% | 0.669 | S | S | . | * | | | trans | -67.6 | 125.8 | -160 | 178.2 | -0.7 | 0 | 0 | 0 | 113.7 | A1085 V1086 A1087 | D1083-A1085 PolarHBondContact O-N 3.39Å; D1083-A1085 VanDerWaalsContact O-N 3.08Å; D1083-A1085 VanDerWaalsContact OD1-CB 3.27Å; D1083-A1085 WeakPolarHBondContact OD1-CB 3.45Å; D1083-A1085 PolarHBondContact OD1-N 3.37Å; D1083-V1086 HydrophobicContact CB-CG2 4.22Å; D1083-V1086 WeakPolarHBondContact O-CB 3.44Å; D1083-V1086 PolarHBondContact O-N 3.46Å; D1083-A1087 PolarHBondContact O-N 2.73Å |
| 1084 | P | 52.2 | Low | 52.1 | Low | 97 Ų | 97 | 119.8 Ų | 119.8 | 63% | 0.63 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -59.1 | -20.1 | 176 | 25 | -35.3 | 0 | 0 | 0 | 114.3 | A1087 M1088 | P1084-A1087 PolarHBondContact O-N 2.97Å; P1084-M1088 WeakPolarHBondContact O-CB 3.35Å; P1084-M1088 WeakPolarHBondContact O-CG 3.48Å; P1084-M1088 PolarHBondContact O-N 2.91Å |
| 1085 | A | 51.5 | Low | 53.6 | Low | 57 Ų | 57 | 122.2 Ų | 122.2 | 47% | 0.471 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -64.6 | -40.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | D1083 M1088 A1089 | D1083-A1085 PolarHBondContact O-N 3.39Å; D1083-A1085 VanDerWaalsContact O-N 3.08Å; D1083-A1085 VanDerWaalsContact OD1-CB 3.27Å; D1083-A1085 WeakPolarHBondContact OD1-CB 3.45Å; D1083-A1085 PolarHBondContact OD1-N 3.37Å; A1085-M1088 PolarHBondContact O-N 3.27Å; A1085-A1089 WeakPolarHBondContact O-CB 3.47Å; A1085-A1089 PolarHBondContact O-N 3.29Å |
| 1086 | V | 53.9 | Low | 54.4 | Low | 85 Ų | 85 | 118.2 Ų | 118.2 | 52% | 0.515 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -68.9 | -41.3 | 176 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | D1083 M1088 A1089 A1090 | D1083-V1086 HydrophobicContact CB-CG2 4.22Å; D1083-V1086 WeakPolarHBondContact O-CB 3.44Å; D1083-V1086 PolarHBondContact O-N 3.46Å; V1086-M1088 VanDerWaalsContact C-N 3.33Å; V1086-M1088 PolarHBondContact O-N 3.23Å; V1086-A1089 PolarHBondContact O-N 3.11Å; V1086-A1090 WeakPolarHBondContact O-CB 3.48Å; V1086-A1090 PolarHBondContact O-N 2.94Å |
| 1087 | A | 55.2 | Low | 54.7 | Low | 60 Ų | 60 | 112.9 Ų | 112.9 | 50% | 0.496 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -61.2 | -40.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1083 P1084 R1091 | D1083-A1087 PolarHBondContact O-N 2.73Å; P1084-A1087 PolarHBondContact O-N 2.97Å; A1087-R1091 WeakPolarHBondContact O-CB 3.25Å; A1087-R1091 PolarHBondContact O-N 3.14Å |
| 1088 | M | 57.5 | Low | 55.2 | Low | 133 Ų | 133 | 115.4 Ų | 115.4 | 66% | 0.655 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.6 | -44 | 172.7 | -83.3 | -67.8 | -165.1 | 0 | 0 | 112.2 | P1084 A1085 V1086 R1091 M1092 | P1084-M1088 WeakPolarHBondContact O-CB 3.35Å; P1084-M1088 WeakPolarHBondContact O-CG 3.48Å; P1084-M1088 PolarHBondContact O-N 2.91Å; A1085-M1088 PolarHBondContact O-N 3.27Å; V1086-M1088 VanDerWaalsContact C-N 3.33Å; V1086-M1088 PolarHBondContact O-N 3.23Å; M1088-R1091 CarbonylContact O-C 3.59Å; M1088-R1091 PolarHBondContact O-N 3.38Å; M1088-M1092 WeakPolarHBondContact O-CB 3.41Å; M1088-M1092 PolarHBondContact O-N 2.89Å |
| 1089 | A | 61.9 | Low | 56 | Low | 55 Ų | 55 | 117.8 Ų | 117.8 | 46% | 0.455 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -58.9 | -52.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1085 V1086 R1091 M1092 E1093 | A1085-A1089 WeakPolarHBondContact O-CB 3.47Å; A1085-A1089 PolarHBondContact O-N 3.29Å; V1086-A1089 PolarHBondContact O-N 3.11Å; A1089-R1091 PolarHBondContact O-N 3.19Å; A1089-M1092 CarbonylContact O-C 3.59Å; A1089-M1092 PolarHBondContact O-N 2.84Å; A1089-M1092 VanDerWaalsContact O-N 3.07Å; A1089-E1093 WeakPolarHBondContact O-CB 3.12Å; A1089-E1093 PolarHBondContact O-N 3.2Å |
| 1090 | A | 55.8 | Low | 56.2 | Low | 30 Ų | 30 | 117.2 Ų | 117.2 | 25% | 0.248 | 61% | 0.608 | C | S | . | * | H | α-helix | trans | -64.4 | -20.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V1086 R1094 | V1086-A1090 WeakPolarHBondContact O-CB 3.48Å; V1086-A1090 PolarHBondContact O-N 2.94Å; A1090-R1094 VanDerWaalsContact O-CB 3.31Å; A1090-R1094 WeakPolarHBondContact O-CB 3.37Å; A1090-R1094 VanDerWaalsContact O-CG 3.32Å; A1090-R1094 WeakPolarHBondContact O-CG 3.36Å; A1090-R1094 PolarHBondContact O-N 3.33Å; A1090-R1094 PolarHBondContact O-NE 3.47Å |
| 1091 | R | 64.9 | Low | 56.8 | Low | 186 Ų | 186 | 123.5 Ų | 123.5 | 70% | 0.702 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -83.8 | -35.8 | 172.5 | -168.7 | 175.7 | -169.2 | 131.6 | -2.7 | 111.9 | A1087 M1088 A1089 R1095 | A1087-R1091 WeakPolarHBondContact O-CB 3.25Å; A1087-R1091 PolarHBondContact O-N 3.14Å; M1088-R1091 CarbonylContact O-C 3.59Å; M1088-R1091 PolarHBondContact O-N 3.38Å; A1089-R1091 PolarHBondContact O-N 3.19Å; R1091-R1095 PolarHBondContact O-N 3Å |
| 1092 | M | 72.3 | Confident | 56.5 | Low | 149 Ų | 149 | 124.4 Ų | 124.4 | 73% | 0.734 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.5 | -40.8 | 174.8 | -160.9 | 169.9 | -162.4 | 0 | 0 | 110.9 | M1088 A1089 R1095 A1096 | M1088-M1092 WeakPolarHBondContact O-CB 3.41Å; M1088-M1092 PolarHBondContact O-N 2.89Å; A1089-M1092 CarbonylContact O-C 3.59Å; A1089-M1092 PolarHBondContact O-N 2.84Å; A1089-M1092 VanDerWaalsContact O-N 3.07Å; M1092-R1095 CarbonylContact O-C 3.46Å; M1092-R1095 WeakPolarHBondContact O-CA 3.45Å; M1092-R1095 WeakPolarHBondContact O-CB 3.28Å; M1092-R1095 PolarHBondContact O-N 3.44Å; M1092-A1096 PolarHBondContact O-N 3.46Å |
| 1093 | E | 62.9 | Low | 56.4 | Low | 140 Ų | 140 | 120.4 Ų | 120.4 | 65% | 0.654 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65 | -44 | 171.7 | -169 | -177.4 | 178.2 | 0 | 0 | 111.4 | A1089 R1095 A1096 A1097 | A1089-E1093 WeakPolarHBondContact O-CB 3.12Å; A1089-E1093 PolarHBondContact O-N 3.2Å; E1093-R1095 PolarHBondContact O-N 3.05Å; E1093-A1096 CarbonylContact O-C 3.55Å; E1093-A1096 WeakPolarHBondContact O-CA 3.39Å; E1093-A1096 WeakPolarHBondContact O-CB 3.43Å; E1093-A1096 PolarHBondContact O-N 3.45Å; E1093-A1097 WeakPolarHBondContact O-CB 3.49Å; E1093-A1097 PolarHBondContact O-N 2.95Å |
| 1094 | R | 63.1 | Low | 56.1 | Low | 173 Ų | 173 | 120.5 Ų | 120.5 | 65% | 0.653 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -60.7 | -25.5 | 169.6 | -83.3 | -179.8 | -85.8 | -165.1 | -7.2 | 113 | A1090 R1098 | A1090-R1094 VanDerWaalsContact O-CB 3.31Å; A1090-R1094 WeakPolarHBondContact O-CB 3.37Å; A1090-R1094 VanDerWaalsContact O-CG 3.32Å; A1090-R1094 WeakPolarHBondContact O-CG 3.36Å; A1090-R1094 PolarHBondContact O-N 3.33Å; A1090-R1094 PolarHBondContact O-NE 3.47Å; R1094-R1098 WeakPolarHBondContact O-CB 3.47Å; R1094-R1098 WeakPolarHBondContact O-CG 3.16Å; R1094-R1098 PolarHBondContact O-N 2.96Å |
| 1095 | R | 66.2 | Low | 55.5 | Low | 197 Ų | 197 | 119 Ų | 119 | 74% | 0.743 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -76.7 | -39.2 | 169.9 | -118 | 176 | 177.4 | 174.9 | -1.2 | 112.3 | R1091 M1092 E1093 R1098 R1099 | R1091-R1095 PolarHBondContact O-N 3Å; M1092-R1095 CarbonylContact O-C 3.46Å; M1092-R1095 WeakPolarHBondContact O-CA 3.45Å; M1092-R1095 WeakPolarHBondContact O-CB 3.28Å; M1092-R1095 PolarHBondContact O-N 3.44Å; E1093-R1095 PolarHBondContact O-N 3.05Å; R1095-R1098 PolarHBondContact O-N 2.88Å; R1095-R1099 PolarHBondContact O-N 3.2Å |
| 1096 | A | 60.1 | Low | 55 | Low | 56 Ų | 56 | 121.4 Ų | 121.4 | 46% | 0.463 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.2 | -48 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1092 E1093 R1098 R1099 A1100 | M1092-A1096 PolarHBondContact O-N 3.46Å; E1093-A1096 CarbonylContact O-C 3.55Å; E1093-A1096 WeakPolarHBondContact O-CA 3.39Å; E1093-A1096 WeakPolarHBondContact O-CB 3.43Å; E1093-A1096 PolarHBondContact O-N 3.45Å; A1096-R1098 VanDerWaalsContact C-N 3.28Å; A1096-R1098 PolarHBondContact O-N 3.36Å; A1096-R1099 CarbonylContact O-C 3.57Å; A1096-R1099 WeakPolarHBondContact O-CA 3.4Å; A1096-R1099 WeakPolarHBondContact O-CB 3.41Å; A1096-R1099 PolarHBondContact O-N 2.92Å; A1096-A1100 PolarHBondContact O-N 3.07Å |
| 1097 | A | 53.1 | Low | 54.1 | Low | 43 Ų | 43 | 121.9 Ų | 121.9 | 36% | 0.355 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -60.1 | -34.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1093 R1101 | E1093-A1097 WeakPolarHBondContact O-CB 3.49Å; E1093-A1097 PolarHBondContact O-N 2.95Å; A1097-R1101 WeakPolarHBondContact O-CB 3.48Å; A1097-R1101 WeakPolarHBondContact O-CG 3.44Å; A1097-R1101 PolarHBondContact O-N 2.98Å |
| 1098 | R | 56.2 | Low | 53.5 | Low | 199 Ų | 199 | 125.2 Ų | 125.2 | 75% | 0.751 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.7 | -24.7 | 171.1 | -78.3 | 177.6 | -178.8 | -145.7 | 2.6 | 113.7 | R1094 R1095 A1096 R1102 | R1094-R1098 WeakPolarHBondContact O-CB 3.47Å; R1094-R1098 WeakPolarHBondContact O-CG 3.16Å; R1094-R1098 PolarHBondContact O-N 2.96Å; R1095-R1098 PolarHBondContact O-N 2.88Å; A1096-R1098 VanDerWaalsContact C-N 3.28Å; A1096-R1098 PolarHBondContact O-N 3.36Å; R1098-R1102 WeakPolarHBondContact O-CB 3.4Å |
| 1099 | R | 53.9 | Low | 52.5 | Low | 204 Ų | 204 | 124.8 Ų | 124.8 | 77% | 0.77 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -76.9 | -44.6 | 167.7 | -80.2 | -175.5 | 168.4 | -174.4 | -3.6 | 111.4 | R1095 A1096 R1102 A1103 | R1095-R1099 PolarHBondContact O-N 3.2Å; A1096-R1099 CarbonylContact O-C 3.57Å; A1096-R1099 WeakPolarHBondContact O-CA 3.4Å; A1096-R1099 WeakPolarHBondContact O-CB 3.41Å; A1096-R1099 PolarHBondContact O-N 2.92Å; R1099-R1102 CarbonylContact O-C 3.52Å; R1099-R1102 WeakPolarHBondContact O-CA 3.27Å; R1099-R1102 WeakPolarHBondContact O-CB 3.22Å; R1099-R1102 PolarHBondContact O-N 2.86Å; R1099-A1103 PolarHBondContact O-N 3.18Å |
| 1100 | A | 49.3 | Very low | 51.5 | Low | 52 Ų | 52 | 126.7 Ų | 126.7 | 43% | 0.43 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -59.2 | -50.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1096 R1102 A1103 S1104 | A1096-A1100 PolarHBondContact O-N 3.07Å; A1100-R1102 PolarHBondContact O-N 3.45Å; A1100-A1103 CarbonylContact O-C 3.4Å; A1100-A1103 WeakPolarHBondContact O-CA 3.33Å; A1100-A1103 PolarHBondContact O-N 3.13Å; A1100-S1104 PolarHBondContact O-N 3.24Å; A1100-S1104 PolarHBondContact O-OG 3.48Å; A1100-S1104 VanDerWaalsContact O-OG 3.06Å |
| 1101 | R | 49.6 | Very low | 50.5 | Low | 208 Ų | 208 | 129.7 Ų | 129.7 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -4.6 | 173 | -68.5 | 179.3 | -174.7 | -110.8 | 4 | 114.5 | A1097 | A1097-R1101 WeakPolarHBondContact O-CB 3.48Å; A1097-R1101 WeakPolarHBondContact O-CG 3.44Å; A1097-R1101 PolarHBondContact O-N 2.98Å |
| 1102 | R | 44.5 | Very low | 49.1 | Very low | 224 Ų | 224 | 126.1 Ų | 126.1 | 85% | 0.845 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -1.2 | 171.1 | -154.9 | 174.2 | -168.1 | -107.8 | 4.1 | 112.9 | R1098 R1099 A1100 | R1098-R1102 WeakPolarHBondContact O-CB 3.4Å; R1099-R1102 CarbonylContact O-C 3.52Å; R1099-R1102 WeakPolarHBondContact O-CA 3.27Å; R1099-R1102 WeakPolarHBondContact O-CB 3.22Å; R1099-R1102 PolarHBondContact O-N 2.86Å; A1100-R1102 PolarHBondContact O-N 3.45Å |
| 1103 | A | 47.1 | Very low | 47.6 | Very low | 89 Ų | 89 | 125.1 Ų | 125.1 | 74% | 0.736 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | -21 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1099 A1100 | R1099-A1103 PolarHBondContact O-N 3.18Å; A1100-A1103 CarbonylContact O-C 3.4Å; A1100-A1103 WeakPolarHBondContact O-CA 3.33Å; A1100-A1103 PolarHBondContact O-N 3.13Å |
| 1104 | S | 47.6 | Very low | 46.2 | Very low | 94 Ų | 94 | 123.2 Ų | 123.2 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -118.3 | 33.8 | 175 | 59.7 | 0 | 0 | 0 | 0 | 113.7 | A1100 | A1100-S1104 PolarHBondContact O-N 3.24Å; A1100-S1104 PolarHBondContact O-OG 3.48Å; A1100-S1104 VanDerWaalsContact O-OG 3.06Å |
| 1105 | A | 38.7 | Very low | 45.5 | Very low | 65 Ų | 65 | 122 Ų | 122 | 54% | 0.537 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -77.4 | 137 | 151.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | A1107 | A1105-A1107 PolarHBondContact O-N 3.44Š|
| 1106 | P | 42.1 | Very low | 44.7 | Very low | 108 Ų | 108 | 117.2 Ų | 117.2 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | | | trans | -58.8 | 135.6 | 168.8 | 27 | -33.4 | 0 | 0 | 0 | 108.1 | V1108 | P1106-V1108 PolarHBondContact O-N 3.47Š|
| 1107 | A | 33.7 | Very low | 44.2 | Very low | 94 Ų | 94 | 124.1 Ų | 124.1 | 78% | 0.777 | 71% | 0.707 | S | S | * | * | | | trans | -69.8 | 78.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | A1105 T1109 | A1105-A1107 PolarHBondContact O-N 3.44Å; A1107-T1109 VanDerWaalsContact C-N 3.27Å; A1107-T1109 PolarHBondContact O-N 3.31Å |
| 1108 | V | 43.2 | Very low | 45.2 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 79% | 0.794 | 72% | 0.72 | S | S | * | * | | | trans | -56.6 | 103.6 | 154.4 | -81.7 | 0 | 0 | 0 | 0 | 105.7 | P1106 A1110 | P1106-V1108 PolarHBondContact O-N 3.47Å; V1108-A1110 PolarHBondContact O-N 3.21Å |
| 1109 | T | 36.8 | Very low | 46.4 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | | | trans | -64.7 | 85.9 | 173.2 | 36.4 | 0 | 0 | 0 | 0 | 107.5 | A1107 S1111 | A1107-T1109 VanDerWaalsContact C-N 3.27Å; A1107-T1109 PolarHBondContact O-N 3.31Å; T1109-S1111 PolarHBondContact O-N 3.02Å |
| 1110 | A | 41.6 | Very low | 48.2 | Very low | 95 Ų | 95 | 115.4 Ų | 115.4 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | | | trans | -57.8 | 81.3 | 139.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | V1108 T1112 | V1108-A1110 PolarHBondContact O-N 3.21Å; A1110-T1112 PolarHBondContact O-N 3.36Å |
| 1111 | S | 34.3 | Very low | 50.2 | Low | 94 Ų | 94 | 113.9 Ų | 113.9 | 66% | 0.657 | 67% | 0.666 | S | S | * | * | | | trans | -57.5 | 98.7 | 162 | 34.4 | 0 | 0 | 0 | 0 | 106.1 | T1109 P1113 | T1109-S1111 PolarHBondContact O-N 3.02Å; S1111-P1113 WeakPolarHBondContact O-CD 3.48Å |
| 1112 | T | 34.6 | Very low | 52.4 | Low | 110 Ų | 110 | 105.9 Ų | 105.9 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | | | trans | -35 | 123 | 133.2 | 40.9 | 0 | 0 | 0 | 0 | 106.8 | A1110 T1114 | A1110-T1112 PolarHBondContact O-N 3.36Å; T1112-T1114 PolarHBondContact O-N 3.27Å |
| 1113 | P | 41.7 | Very low | 54.8 | Low | 129 Ų | 129 | 101.8 Ų | 101.8 | 84% | 0.838 | 64% | 0.635 | S | S | * | * | | | trans | -65.2 | 90.7 | 171 | 26.5 | -32.2 | 0 | 0 | 0 | 106.8 | S1111 T1115 | S1111-P1113 WeakPolarHBondContact O-CD 3.48Å; P1113-T1115 PolarHBondContact O-N 3.39Å |
| 1114 | T | 33.5 | Very low | 57.1 | Low | 99 Ų | 99 | 98 Ų | 98 | 61% | 0.607 | 60% | 0.602 | S | S | * | * | | | trans | -49.4 | 134 | 167.6 | -45.4 | 0 | 0 | 0 | 0 | 106.3 | T1112 T1116 | T1112-T1114 PolarHBondContact O-N 3.27Å; T1114-T1116 WeakPolarHBondContact CG2-OG1 3.48Å; T1114-T1116 PolarHBondContact O-N 3.19Å |
| 1115 | T | 48.5 | Very low | 59.5 | Low | 148 Ų | 148 | 95.6 Ų | 95.6 | 91% | 0.908 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -71.7 | 74.8 | -177.5 | 170.2 | 0 | 0 | 0 | 0 | 110.1 | P1113 | P1113-T1115 PolarHBondContact O-N 3.39Š|
| 1116 | T | 47.8 | Very low | 62.3 | Low | 96 Ų | 96 | 93.9 Ų | 93.9 | 59% | 0.589 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -147.5 | 100.9 | -167.9 | -51.9 | 0 | 0 | 0 | 0 | 107.6 | T1114 | T1114-T1116 WeakPolarHBondContact CG2-OG1 3.48Å; T1114-T1116 PolarHBondContact O-N 3.19Å |
| 1117 | F | 50.9 | Low | 64.9 | Low | 202 Ų | 202 | 94.5 Ų | 94.5 | 89% | 0.886 | 56% | 0.561 | S | S | * | * | | | trans | 37.3 | 81.2 | 170.7 | -77.2 | -92.5 | 0 | 0 | 0 | 115.9 | | |
| 1118 | R | 73.6 | Confident | 67.9 | Low | 171 Ų | 171 | 93.1 Ų | 93.1 | 65% | 0.645 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 127.7 | 151.9 | -158.3 | 171.2 | -166.5 | -88.7 | -9.8 | 106.5 | | |
| 1119 | P | 82.5 | Confident | 70.5 | Confident | 44 Ų | 44 | 86.9 Ų | 86.9 | 29% | 0.286 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 150.8 | -174.4 | 20.5 | -31.6 | 0 | 0 | 0 | 111.1 | Q1123 W1124 | P1119-Q1123 HydrophobicContact CB-CB 4.17Å; P1119-W1124 PolarHBondContact O-NE1 3.23Å |
| 1120 | A | 89.9 | Confident | 73.4 | Confident | 48 Ų | 48 | 81.3 Ų | 81.3 | 40% | 0.397 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 148.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | A1122 Q1123 W1124 | A1120-A1122 PolarHBondContact O-N 2.89Å; A1120-Q1123 HydrophobicContact CB-CG 4.36Å; A1120-Q1123 VanDerWaalsContact N-OE1 3.16Å; A1120-Q1123 WeakPolarHBondContact O-CB 3.16Å; A1120-Q1123 PolarHBondContact O-N 3.18Å; A1120-W1124 VanDerWaalsContact O-CD1 3.25Å; A1120-W1124 PolarHBondContact O-NE1 3.39Å |
| 1121 | P | 92.6 | Very high | 76 | Confident | 19 Ų | 19 | 79.3 Ų | 79.3 | 12% | 0.123 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -55.9 | -24.5 | -177.6 | -28.6 | 37 | 0 | 0 | 0 | 115 | Q1123 W1124 G1153 L1157 L1185 | P1121-Q1123 VanDerWaalsContact C-N 3.28Å; P1121-Q1123 PolarHBondContact O-N 2.99Å; P1121-W1124 HydrophobicContact CB-CZ2 4.21Å; P1121-W1124 HydrophobicContact CG-CZ2 4.03Å; P1121-G1153 CarbonylContact O-C 3.31Å; P1121-G1153 WeakPolarHBondContact O-CA 3.37Å; P1121-L1157 HydrophobicContact CB-CD1 4.14Å; P1121-L1157 HydrophobicContact CB-CD2 4.04Å; P1121-L1157 HydrophobicContact CB-CG 4.49Å; P1121-L1185 HydrophobicContact CB-CB 4.22Å; P1121-L1185 HydrophobicContact CG-CB 4.21Å; P1121-L1185 HydrophobicContact CG-CD2 4.13Å |
| 1122 | A | 94.6 | Very high | 78.9 | Confident | 41 Ų | 41 | 75.9 Ų | 75.9 | 34% | 0.339 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -81.1 | 3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1120 Q1154 L1157 | A1120-A1122 PolarHBondContact O-N 2.89Å; A1122-Q1154 HydrophobicContact CB-CG 4.49Å; A1122-Q1154 WeakPolarHBondContact O-CG 3.48Å; A1122-Q1154 PolarHBondContact O-NE2 2.89Å; A1122-L1157 HydrophobicContact CB-CD1 3.8Å |
| 1123 | Q | 94.9 | Very high | 81.9 | Confident | 138 Ų | 138 | 70.7 Ų | 70.7 | 65% | 0.645 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -117.3 | 0.4 | 178.4 | -63.3 | 176.8 | -50.2 | 0 | 0 | 112.6 | P1119 A1120 P1121 | P1119-Q1123 HydrophobicContact CB-CB 4.17Å; A1120-Q1123 HydrophobicContact CB-CG 4.36Å; A1120-Q1123 VanDerWaalsContact N-OE1 3.16Å; A1120-Q1123 WeakPolarHBondContact O-CB 3.16Å; A1120-Q1123 PolarHBondContact O-N 3.18Å; P1121-Q1123 VanDerWaalsContact C-N 3.28Å; P1121-Q1123 PolarHBondContact O-N 2.99Å |
| 1124 | W | 96.4 | Very high | 84.5 | Confident | 8 Ų | 8 | 68.7 Ų | 68.7 | 3% | 0.03 | 37% | 0.371 | C | S | . | . | | | trans | -69.9 | 137 | -175.8 | -68.1 | -1.9 | 0 | 0 | 0 | 112.1 | P1119 A1120 P1121 E1128 V1129 F1132 G1153 L1156 L1185 | P1119-W1124 PolarHBondContact O-NE1 3.23Å; A1120-W1124 VanDerWaalsContact O-CD1 3.25Å; A1120-W1124 PolarHBondContact O-NE1 3.39Å; P1121-W1124 HydrophobicContact CB-CZ2 4.21Å; P1121-W1124 HydrophobicContact CG-CZ2 4.03Å; W1124-E1128 VanDerWaalsContact CA-OE2 3.31Å; W1124-E1128 WeakPolarHBondContact CA-OE2 3.32Å; W1124-E1128 HydrophobicContact CB-CB 3.93Å; W1124-E1128 HydrophobicContact CG-CB 4.27Å; W1124-V1129 HydrophobicContact CB-CG2 4.09Å; W1124-V1129 HydrophobicContact CE3-CG2 4.38Å; W1124-F1132 HydrophobicContact CE3-CB 4.46Å; W1124-F1132 HydrophobicContact CH2-CD2 4.08Å; W1124-F1132 HydrophobicContact CH2-CE2 4.38Å; W1124-F1132 HydrophobicContact CH2-CG 4.3Å; W1124-F1132 HydrophobicContact CZ3-CB 3.92Å; W1124-F1132 AromaticContact CZ3-CD1 3.97Å; W1124-F1132 HydrophobicContact CZ3-CD1 3.97Å; W1124-F1132 AromaticContact CZ3-CD2 3.93Å; W1124-F1132 HydrophobicContact CZ3-CD2 3.93Å; W1124-F1132 HydrophobicContact CZ3-CE1 4.46Å; W1124-F1132 HydrophobicContact CZ3-CE2 4.41Å; W1124-F1132 AromaticContact CZ3-CG 3.67Å; W1124-F1132 HydrophobicContact CZ3-CG 3.67Å; W1124-G1153 PolarHBondContact O-N 3.21Å; W1124-L1156 HydrophobicContact CE3-CD2 4.18Å; W1124-L1156 HydrophobicContact CZ3-CD2 4.21Å; W1124-L1185 HydrophobicContact CH2-CD1 3.65Å; W1124-L1185 HydrophobicContact CH2-CD2 3.58Å; W1124-L1185 HydrophobicContact CH2-CG 4.29Å; W1124-L1185 HydrophobicContact CZ2-CD2 4.25Å; W1124-L1185 HydrophobicContact CZ3-CD1 3.58Å; W1124-L1185 HydrophobicContact CZ3-CD2 4.38Å |
| 1125 | S | 97.1 | Very high | 87.5 | Confident | 45 Ų | 45 | 69 Ų | 69 | 32% | 0.315 | 37% | 0.373 | S | S | . | . | | | trans | -71 | 167.7 | 171 | 90.6 | 0 | 0 | 0 | 0 | 112.1 | E1127 E1128 V1129 | S1125-E1127 WeakPolarHBondContact CB-OE2 3.47Å; S1125-E1127 PolarHBondContact O-N 3.27Å; S1125-E1127 PolarHBondContact OG-N 3.15Å; S1125-E1127 PolarHBondContact OG-OE2 3.45Å; S1125-E1128 PolarHBondContact N-OE2 3.16Å; S1125-E1128 VanDerWaalsContact N-OE2 3.08Å; S1125-E1128 PolarHBondContact O-N 2.89Å; S1125-E1128 VanDerWaalsContact O-N 3.07Å; S1125-E1128 PolarHBondContact OG-N 3.38Å; S1125-V1129 WeakPolarHBondContact O-CG2 3.37Å; S1125-V1129 PolarHBondContact O-N 2.91Å |
| 1126 | V | 97.5 | Very high | 89.7 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 17% | 0.17 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.9 | -35.5 | 174.2 | -174.6 | 0 | 0 | 0 | 0 | 111.1 | T1130 R1147 D1152 | V1126-T1130 WeakPolarHBondContact O-CB 3.37Å; V1126-T1130 PolarHBondContact O-N 2.82Å; V1126-T1130 PolarHBondContact O-OG1 3.11Å; V1126-R1147 HydrophobicContact CG1-CB 4.46Å; V1126-R1147 HydrophobicContact CG1-CG 4.08Å; V1126-D1152 HydrophobicContact CG2-CB 4.36Å |
| 1127 | E | 97.4 | Very high | 91.9 | Very high | 121 Ų | 121 | 62.2 Ų | 62.2 | 57% | 0.565 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.8 | -41.3 | 174.9 | -61 | 64.8 | -140.5 | 0 | 0 | 111.7 | S1125 T1130 A1131 | S1125-E1127 WeakPolarHBondContact CB-OE2 3.47Å; S1125-E1127 PolarHBondContact O-N 3.27Å; S1125-E1127 PolarHBondContact OG-N 3.15Å; S1125-E1127 PolarHBondContact OG-OE2 3.45Å; E1127-T1130 PolarHBondContact O-N 3.26Å; E1127-A1131 VanDerWaalsContact O-CB 3.27Å; E1127-A1131 WeakPolarHBondContact O-CB 3.34Å; E1127-A1131 PolarHBondContact O-N 3.09Å |
| 1128 | E | 96.7 | Very high | 93.8 | Very high | 66 Ų | 66 | 55.1 Ų | 55.1 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.4 | -39.7 | 178 | -68.8 | -172.6 | 110.9 | 0 | 0 | 112 | W1124 S1125 A1131 F1132 | W1124-E1128 VanDerWaalsContact CA-OE2 3.31Å; W1124-E1128 WeakPolarHBondContact CA-OE2 3.32Å; W1124-E1128 HydrophobicContact CB-CB 3.93Å; W1124-E1128 HydrophobicContact CG-CB 4.27Å; S1125-E1128 PolarHBondContact N-OE2 3.16Å; S1125-E1128 VanDerWaalsContact N-OE2 3.08Å; S1125-E1128 PolarHBondContact O-N 2.89Å; S1125-E1128 VanDerWaalsContact O-N 3.07Å; S1125-E1128 PolarHBondContact OG-N 3.38Å; E1128-A1131 PolarHBondContact O-N 2.81Å; E1128-F1132 VanDerWaalsContact O-CB 3.32Å; E1128-F1132 WeakPolarHBondContact O-CB 3.49Å; E1128-F1132 PolarHBondContact O-N 3.27Å |
| 1129 | V | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -47 | 169.6 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | W1124 S1125 A1131 F1132 I1133 F1146 I1151 D1152 L1156 | W1124-V1129 HydrophobicContact CB-CG2 4.09Å; W1124-V1129 HydrophobicContact CE3-CG2 4.38Å; S1125-V1129 WeakPolarHBondContact O-CG2 3.37Å; S1125-V1129 PolarHBondContact O-N 2.91Å; V1129-A1131 PolarHBondContact O-N 3.05Å; V1129-F1132 WeakPolarHBondContact O-CB 3.39Å; V1129-F1132 PolarHBondContact O-N 2.76Å; V1129-I1133 HydrophobicContact CG1-CG1 4.43Å; V1129-I1133 WeakPolarHBondContact O-CG1 3.43Å; V1129-I1133 PolarHBondContact O-N 3.22Å; V1129-F1146 HydrophobicContact CG1-CB 4.33Å; V1129-F1146 HydrophobicContact CG1-CD1 3.93Å; V1129-F1146 HydrophobicContact CG1-CG 4.49Å; V1129-I1151 WeakPolarHBondContact CB-O 3.31Å; V1129-I1151 HydrophobicContact CG1-CG2 4.43Å; V1129-I1151 WeakPolarHBondContact CG1-O 3.48Å; V1129-D1152 VanDerWaalsContact CG2-C 3.49Å; V1129-L1156 HydrophobicContact CG1-CB 4.36Å; V1129-L1156 HydrophobicContact CG1-CD1 4.15Å; V1129-L1156 HydrophobicContact CG1-CD2 4.09Å; V1129-L1156 HydrophobicContact CG1-CG 4.42Å; V1129-L1156 HydrophobicContact CG2-CB 4.22Å; V1129-L1156 HydrophobicContact CG2-CD2 3.93Å |
| 1130 | T | 97.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61 | -44.4 | 178.4 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | V1126 E1127 I1133 H1134 A1143 R1147 | V1126-T1130 WeakPolarHBondContact O-CB 3.37Å; V1126-T1130 PolarHBondContact O-N 2.82Å; V1126-T1130 PolarHBondContact O-OG1 3.11Å; E1127-T1130 PolarHBondContact O-N 3.26Å; T1130-I1133 PolarHBondContact O-N 3.23Å; T1130-H1134 PolarHBondContact O-CD2 3.18Å; T1130-H1134 PolarHBondContact O-N 2.88Å; T1130-A1143 HydrophobicContact CG2-CB 4.27Å; T1130-R1147 HydrophobicContact CG2-CB 4.18Å; T1130-R1147 WeakPolarHBondContact OG1-CB 3.43Å |
| 1131 | A | 96.7 | Very high | 95.6 | Very high | 54 Ų | 54 | 49.2 Ų | 49.2 | 45% | 0.446 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1127 E1128 V1129 H1134 T1135 | E1127-A1131 VanDerWaalsContact O-CB 3.27Å; E1127-A1131 WeakPolarHBondContact O-CB 3.34Å; E1127-A1131 PolarHBondContact O-N 3.09Å; E1128-A1131 PolarHBondContact O-N 2.81Å; V1129-A1131 PolarHBondContact O-N 3.05Å; A1131-H1134 WeakPolarHBondContact O-CB 3.46Å; A1131-H1134 PolarHBondContact O-N 3.02Å; A1131-T1135 WeakPolarHBondContact O-CG2 3.41Å; A1131-T1135 PolarHBondContact O-N 3.47Å |
| 1132 | F | 96 | Very high | 95.7 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 10% | 0.096 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.9 | -51.3 | 174 | 172.4 | -108.7 | 0 | 0 | 0 | 111.8 | W1124 E1128 V1129 H1134 T1135 L1136 L1156 H1181 L1185 | W1124-F1132 HydrophobicContact CE3-CB 4.46Å; W1124-F1132 HydrophobicContact CH2-CD2 4.08Å; W1124-F1132 HydrophobicContact CH2-CE2 4.38Å; W1124-F1132 HydrophobicContact CH2-CG 4.3Å; W1124-F1132 HydrophobicContact CZ3-CB 3.92Å; W1124-F1132 AromaticContact CZ3-CD1 3.97Å; W1124-F1132 HydrophobicContact CZ3-CD1 3.97Å; W1124-F1132 AromaticContact CZ3-CD2 3.93Å; W1124-F1132 HydrophobicContact CZ3-CD2 3.93Å; W1124-F1132 HydrophobicContact CZ3-CE1 4.46Å; W1124-F1132 HydrophobicContact CZ3-CE2 4.41Å; W1124-F1132 AromaticContact CZ3-CG 3.67Å; W1124-F1132 HydrophobicContact CZ3-CG 3.67Å; E1128-F1132 VanDerWaalsContact O-CB 3.32Å; E1128-F1132 WeakPolarHBondContact O-CB 3.49Å; E1128-F1132 PolarHBondContact O-N 3.27Å; V1129-F1132 WeakPolarHBondContact O-CB 3.39Å; V1129-F1132 PolarHBondContact O-N 2.76Å; F1132-H1134 VanDerWaalsContact C-N 3.27Å; F1132-H1134 PolarHBondContact O-N 3.35Å; F1132-T1135 PolarHBondContact O-N 3.47Å; F1132-T1135 PolarHBondContact O-OG1 3.43Å; F1132-L1136 HydrophobicContact CE1-CD1 4.12Å; F1132-L1136 HydrophobicContact CE2-CD2 4.11Å; F1132-L1136 HydrophobicContact CZ-CD1 4.36Å; F1132-L1136 HydrophobicContact CZ-CD2 4.09Å; F1132-L1136 PolarHBondContact O-N 3.42Å; F1132-L1156 HydrophobicContact CD1-CD2 4.15Å; F1132-L1156 HydrophobicContact CE1-CD2 4.33Å; F1132-H1181 HydrophobicContact CZ-CB 4.02Å; F1132-L1185 HydrophobicContact CD1-CD1 4.35Å; F1132-L1185 HydrophobicContact CE1-CD1 3.64Å; F1132-L1185 HydrophobicContact CE2-CD1 4.13Å; F1132-L1185 HydrophobicContact CE2-CD2 4.42Å; F1132-L1185 HydrophobicContact CZ-CD1 3.5Å; F1132-L1185 HydrophobicContact CZ-CD2 4.41Å; F1132-L1185 HydrophobicContact CZ-CG 4.05Å |
| 1133 | I | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.1 | -33.6 | 178.2 | -56.8 | -63.1 | 0 | 0 | 0 | 111.4 | V1129 T1130 T1135 L1136 C1139 V1142 A1143 F1146 L1156 I1178 | V1129-I1133 HydrophobicContact CG1-CG1 4.43Å; V1129-I1133 WeakPolarHBondContact O-CG1 3.43Å; V1129-I1133 PolarHBondContact O-N 3.22Å; T1130-I1133 PolarHBondContact O-N 3.23Å; I1133-T1135 VanDerWaalsContact C-N 3.34Å; I1133-T1135 PolarHBondContact O-N 3.23Å; I1133-L1136 HydrophobicContact CD1-CD1 3.98Å; I1133-L1136 PolarHBondContact O-N 2.72Å; I1133-C1139 HydrophobicContact CG2-CB 4.18Å; I1133-V1142 HydrophobicContact CG2-CG2 4.33Å; I1133-A1143 HydrophobicContact CB-CB 3.88Å; I1133-A1143 HydrophobicContact CG2-CB 3.78Å; I1133-F1146 HydrophobicContact CB-CD2 4.49Å; I1133-F1146 HydrophobicContact CD1-CD1 4.39Å; I1133-F1146 HydrophobicContact CD1-CE1 3.97Å; I1133-F1146 HydrophobicContact CD1-CE2 4.31Å; I1133-F1146 HydrophobicContact CD1-CZ 3.96Å; I1133-F1146 HydrophobicContact CG1-CD1 3.99Å; I1133-F1146 HydrophobicContact CG1-CD2 4.02Å; I1133-F1146 HydrophobicContact CG1-CE1 4.07Å; I1133-F1146 HydrophobicContact CG1-CE2 4.12Å; I1133-F1146 HydrophobicContact CG1-CG 4Å; I1133-F1146 HydrophobicContact CG1-CZ 4.16Å; I1133-F1146 HydrophobicContact CG2-CD2 4.14Å; I1133-F1146 HydrophobicContact CG2-CE2 4.05Å; I1133-L1156 HydrophobicContact CD1-CD1 4.35Å; I1133-I1178 HydrophobicContact CD1-CD1 4.42Å; I1133-I1178 HydrophobicContact CD1-CG1 4.16Å; I1133-I1178 HydrophobicContact CD1-CG2 3.76Å; I1133-I1178 HydrophobicContact CG2-CD1 4.2Å |
| 1134 | H | 96.1 | Very high | 95.8 | Very high | 88 Ų | 88 | 44.5 Ų | 44.5 | 41% | 0.407 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.8 | -34.2 | 170.7 | -83 | -60.3 | 0 | 0 | 0 | 113.5 | T1130 A1131 F1132 L1136 G1140 A1143 | T1130-H1134 PolarHBondContact O-CD2 3.18Å; T1130-H1134 PolarHBondContact O-N 2.88Å; A1131-H1134 WeakPolarHBondContact O-CB 3.46Å; A1131-H1134 PolarHBondContact O-N 3.02Å; F1132-H1134 VanDerWaalsContact C-N 3.27Å; F1132-H1134 PolarHBondContact O-N 3.35Å; H1134-L1136 VanDerWaalsContact C-N 3.26Å; H1134-L1136 PolarHBondContact O-N 3.11Å; H1134-G1140 PolarHBondContact CE1-O 3.21Å; H1134-G1140 PolarHBondContact ND1-O 3.45Å; H1134-A1143 HydrophobicContact CB-CB 4.39Å |
| 1135 | T | 95.8 | Very high | 95.8 | Very high | 106 Ų | 106 | 45.3 Ų | 45.3 | 65% | 0.65 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -70.9 | -17.9 | 174.4 | 65.4 | 0 | 0 | 0 | 0 | 114.1 | A1131 F1132 I1133 | A1131-T1135 WeakPolarHBondContact O-CG2 3.41Å; A1131-T1135 PolarHBondContact O-N 3.47Å; F1132-T1135 PolarHBondContact O-N 3.47Å; F1132-T1135 PolarHBondContact O-OG1 3.43Å; I1133-T1135 VanDerWaalsContact C-N 3.34Å; I1133-T1135 PolarHBondContact O-N 3.23Å |
| 1136 | L | 95.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -75.7 | 130.3 | -175.8 | -59.7 | -173.2 | 0 | 0 | 0 | 111.2 | F1132 I1133 H1134 G1138 C1139 I1178 H1181 | F1132-L1136 HydrophobicContact CE1-CD1 4.12Å; F1132-L1136 HydrophobicContact CE2-CD2 4.11Å; F1132-L1136 HydrophobicContact CZ-CD1 4.36Å; F1132-L1136 HydrophobicContact CZ-CD2 4.09Å; F1132-L1136 PolarHBondContact O-N 3.42Å; I1133-L1136 HydrophobicContact CD1-CD1 3.98Å; I1133-L1136 PolarHBondContact O-N 2.72Å; H1134-L1136 VanDerWaalsContact C-N 3.26Å; H1134-L1136 PolarHBondContact O-N 3.11Å; L1136-G1138 PolarHBondContact O-N 2.85Å; L1136-C1139 HydrophobicContact CB-CB 3.95Å; L1136-C1139 PolarHBondContact O-N 3.3Å; L1136-I1178 HydrophobicContact CD1-CG1 4.04Å; L1136-H1181 HydrophobicContact CD1-CB 3.98Å; L1136-H1181 HydrophobicContact CD2-CB 4.21Å |
| 1137 | P | 93.6 | Very high | 95.7 | Very high | 91 Ų | 91 | 46.4 Ų | 46.4 | 59% | 0.591 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 102.9 | -166.5 | 25.4 | -34.8 | 0 | 0 | 0 | 112.1 | K1177 | P1137-K1177 PolarHBondContact O-NZ 3.47Š|
| 1138 | G | 91.1 | Very high | 95.7 | Very high | 54 Ų | 54 | 47.3 Ų | 47.3 | 56% | 0.557 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 32.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1136 | L1136-G1138 PolarHBondContact O-N 2.85Š|
| 1139 | C | 94.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | -0.3 | 167.1 | -56.3 | 0 | 0 | 0 | 0 | 113.2 | I1133 L1136 D1141 V1142 A1143 I1178 | I1133-C1139 HydrophobicContact CG2-CB 4.18Å; L1136-C1139 HydrophobicContact CB-CB 3.95Å; L1136-C1139 PolarHBondContact O-N 3.3Å; C1139-D1141 PolarHBondContact O-N 2.95Å; C1139-D1141 VanDerWaalsContact O-N 3.12Å; C1139-V1142 HydrophobicContact CB-CG2 4.06Å; C1139-V1142 WeakPolarHBondContact O-CG2 3.39Å; C1139-V1142 PolarHBondContact O-N 3.3Å; C1139-A1143 PolarHBondContact O-N 2.89Å; C1139-I1178 HydrophobicContact CB-CD1 4.19Å; C1139-I1178 HydrophobicContact CB-CG1 4.28Å |
| 1140 | G | 93.9 | Very high | 95.6 | Very high | 29 Ų | 29 | 56.3 Ų | 56.3 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -10 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | H1134 | H1134-G1140 PolarHBondContact CE1-O 3.21Å; H1134-G1140 PolarHBondContact ND1-O 3.45Å |
| 1141 | D | 94.4 | Very high | 95.6 | Very high | 109 Ų | 109 | 56.4 Ų | 56.4 | 58% | 0.583 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -15.1 | 169.3 | 65.3 | -40.6 | 0 | 0 | 0 | 113.4 | C1139 | C1139-D1141 PolarHBondContact O-N 2.95Å; C1139-D1141 VanDerWaalsContact O-N 3.12Å |
| 1142 | V | 95.6 | Very high | 95.6 | Very high | 19 Ų | 19 | 56.3 Ų | 56.3 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -9.6 | 177.1 | -59 | 0 | 0 | 0 | 0 | 113.9 | I1133 C1139 E1144 A1145 F1146 I1170 P1174 I1178 | I1133-V1142 HydrophobicContact CG2-CG2 4.33Å; C1139-V1142 HydrophobicContact CB-CG2 4.06Å; C1139-V1142 WeakPolarHBondContact O-CG2 3.39Å; C1139-V1142 PolarHBondContact O-N 3.3Å; V1142-E1144 PolarHBondContact O-N 2.78Å; V1142-A1145 VanDerWaalsContact O-CB 3.27Å; V1142-A1145 WeakPolarHBondContact O-CB 3.45Å; V1142-A1145 PolarHBondContact O-N 3.38Å; V1142-F1146 WeakPolarHBondContact O-CD2 3.49Å; V1142-I1170 HydrophobicContact CB-CD1 4.11Å; V1142-I1170 HydrophobicContact CB-CG1 4.03Å; V1142-I1170 HydrophobicContact CG1-CG1 4.07Å; V1142-I1170 HydrophobicContact CG1-CG2 4.21Å; V1142-I1170 HydrophobicContact CG2-CD1 4.25Å; V1142-I1170 HydrophobicContact CG2-CG1 4.5Å; V1142-I1170 HydrophobicContact CG2-CG2 4.38Å; V1142-P1174 HydrophobicContact CG2-CB 4.44Å; V1142-I1178 HydrophobicContact CG2-CD1 3.79Å |
| 1143 | A | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54.5 | -36.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1130 I1133 H1134 C1139 A1145 F1146 R1147 | T1130-A1143 HydrophobicContact CG2-CB 4.27Å; I1133-A1143 HydrophobicContact CB-CB 3.88Å; I1133-A1143 HydrophobicContact CG2-CB 3.78Å; H1134-A1143 HydrophobicContact CB-CB 4.39Å; C1139-A1143 PolarHBondContact O-N 2.89Å; A1143-A1145 PolarHBondContact O-N 3.13Å; A1143-F1146 WeakPolarHBondContact O-CB 3.4Å; A1143-F1146 PolarHBondContact O-N 3.42Å; A1143-F1146 VanDerWaalsContact O-N 3.1Å; A1143-R1147 PolarHBondContact O-N 3.27Å |
| 1144 | E | 95.6 | Very high | 95.6 | Very high | 81 Ų | 81 | 61 Ų | 61 | 38% | 0.379 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.6 | -31.1 | 173 | -69.7 | -70.6 | 128.2 | 0 | 0 | 113.1 | V1142 R1147 L1148 | V1142-E1144 PolarHBondContact O-N 2.78Å; E1144-R1147 PolarHBondContact O-N 2.79Å; E1144-R1147 IonicContact OE1-CZ 3.56Å; E1144-R1147 VanDerWaalsContact OE1-CZ 3.31Å; E1144-R1147 IonicContact OE1-NH1 3.7Å; E1144-R1147 PolarHBondContact OE1-NH1 2.94Å; E1144-R1147 IonicContact OE1-NH2 2.73Å; E1144-R1147 PolarHBondContact OE1-NH2 3.27Å; E1144-R1147 IonicContact OE2-CZ 2.65Å; E1144-R1147 IonicContact OE2-NH1 3.17Å; E1144-R1147 IonicContact OE2-NH2 2.78Å; E1144-R1147 PolarHBondContact OE2-NH2 3.43Å; E1144-L1148 WeakPolarHBondContact O-CB 3.33Å; E1144-L1148 VanDerWaalsContact O-CG 3.24Å; E1144-L1148 WeakPolarHBondContact O-CG 3.11Å; E1144-L1148 PolarHBondContact O-N 3.34Å |
| 1145 | A | 95.7 | Very high | 95.6 | Very high | 24 Ų | 24 | 58.4 Ų | 58.4 | 20% | 0.198 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.5 | -32.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1142 A1143 L1148 Q1149 M1168 | V1142-A1145 VanDerWaalsContact O-CB 3.27Å; V1142-A1145 WeakPolarHBondContact O-CB 3.45Å; V1142-A1145 PolarHBondContact O-N 3.38Å; A1143-A1145 PolarHBondContact O-N 3.13Å; A1145-L1148 PolarHBondContact O-N 3.49Å; A1145-Q1149 PolarHBondContact O-N 3.04Å; A1145-M1168 HydrophobicContact CB-CG 4.49Å; A1145-M1168 HydrophobicContact CB-SD 4.12Å |
| 1146 | F | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.6 | -41.6 | 174.3 | -70.4 | -108.5 | 0 | 0 | 0 | 110.5 | V1129 I1133 V1142 A1143 Q1149 E1150 I1151 L1156 L1159 L1164 M1168 I1170 I1178 | V1129-F1146 HydrophobicContact CG1-CB 4.33Å; V1129-F1146 HydrophobicContact CG1-CD1 3.93Å; V1129-F1146 HydrophobicContact CG1-CG 4.49Å; I1133-F1146 HydrophobicContact CB-CD2 4.49Å; I1133-F1146 HydrophobicContact CD1-CD1 4.39Å; I1133-F1146 HydrophobicContact CD1-CE1 3.97Å; I1133-F1146 HydrophobicContact CD1-CE2 4.31Å; I1133-F1146 HydrophobicContact CD1-CZ 3.96Å; I1133-F1146 HydrophobicContact CG1-CD1 3.99Å; I1133-F1146 HydrophobicContact CG1-CD2 4.02Å; I1133-F1146 HydrophobicContact CG1-CE1 4.07Å; I1133-F1146 HydrophobicContact CG1-CE2 4.12Å; I1133-F1146 HydrophobicContact CG1-CG 4Å; I1133-F1146 HydrophobicContact CG1-CZ 4.16Å; I1133-F1146 HydrophobicContact CG2-CD2 4.14Å; I1133-F1146 HydrophobicContact CG2-CE2 4.05Å; V1142-F1146 WeakPolarHBondContact O-CD2 3.49Å; A1143-F1146 WeakPolarHBondContact O-CB 3.4Å; A1143-F1146 PolarHBondContact O-N 3.42Å; A1143-F1146 VanDerWaalsContact O-N 3.1Å; F1146-Q1149 CarbonylContact O-C 3.54Å; F1146-Q1149 PolarHBondContact O-N 3.14Å; F1146-E1150 PolarHBondContact O-N 3.44Å; F1146-E1150 VanDerWaalsContact O-N 3.17Å; F1146-I1151 HydrophobicContact CB-CB 4.31Å; F1146-I1151 HydrophobicContact CB-CD1 4.48Å; F1146-I1151 HydrophobicContact CD1-CB 4.17Å; F1146-I1151 HydrophobicContact CD1-CD1 3.9Å; F1146-I1151 HydrophobicContact CD1-CG2 4.01Å; F1146-I1151 HydrophobicContact CE1-CD1 4.42Å; F1146-I1151 HydrophobicContact CG-CD1 4.31Å; F1146-I1151 PolarHBondContact O-N 3.21Å; F1146-L1156 HydrophobicContact CD1-CD1 4.33Å; F1146-L1156 HydrophobicContact CE1-CD1 3.9Å; F1146-L1159 HydrophobicContact CD1-CD1 4.25Å; F1146-L1159 HydrophobicContact CE1-CD1 3.54Å; F1146-L1159 HydrophobicContact CZ-CD1 4.33Å; F1146-L1164 HydrophobicContact CE1-CD2 4.41Å; F1146-L1164 HydrophobicContact CZ-CD2 3.91Å; F1146-M1168 HydrophobicContact CD1-CE 4.32Å; F1146-M1168 HydrophobicContact CD2-SD 3.99Å; F1146-M1168 HydrophobicContact CE1-CE 3.89Å; F1146-M1168 HydrophobicContact CE2-CE 4.12Å; F1146-M1168 HydrophobicContact CE2-SD 3.97Å; F1146-M1168 HydrophobicContact CG-SD 4.23Å; F1146-M1168 HydrophobicContact CZ-CE 3.75Å; F1146-M1168 HydrophobicContact CZ-SD 4.21Å; F1146-I1170 HydrophobicContact CE2-CD1 3.64Å; F1146-I1170 HydrophobicContact CZ-CD1 4.16Å; F1146-I1178 HydrophobicContact CE1-CG2 4.42Å; F1146-I1178 HydrophobicContact CE2-CD1 3.99Å; F1146-I1178 HydrophobicContact CZ-CD1 3.99Å; F1146-I1178 HydrophobicContact CZ-CG2 3.93Å |
| 1147 | R | 96.8 | Very high | 95.7 | Very high | 97 Ų | 97 | 54.2 Ų | 54.2 | 37% | 0.366 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 174.7 | -155.9 | 168.9 | 69.3 | -108.5 | -6.7 | 112.7 | V1126 T1130 A1143 E1144 Q1149 E1150 | V1126-R1147 HydrophobicContact CG1-CB 4.46Å; V1126-R1147 HydrophobicContact CG1-CG 4.08Å; T1130-R1147 HydrophobicContact CG2-CB 4.18Å; T1130-R1147 WeakPolarHBondContact OG1-CB 3.43Å; A1143-R1147 PolarHBondContact O-N 3.27Å; E1144-R1147 PolarHBondContact O-N 2.79Å; E1144-R1147 IonicContact OE1-CZ 3.56Å; E1144-R1147 VanDerWaalsContact OE1-CZ 3.31Å; E1144-R1147 IonicContact OE1-NH1 3.7Å; E1144-R1147 PolarHBondContact OE1-NH1 2.94Å; E1144-R1147 IonicContact OE1-NH2 2.73Å; E1144-R1147 PolarHBondContact OE1-NH2 3.27Å; E1144-R1147 IonicContact OE2-CZ 2.65Å; E1144-R1147 IonicContact OE2-NH1 3.17Å; E1144-R1147 IonicContact OE2-NH2 2.78Å; E1144-R1147 PolarHBondContact OE2-NH2 3.43Å; R1147-Q1149 VanDerWaalsContact C-N 3.26Å; R1147-Q1149 PolarHBondContact O-N 3.16Å; R1147-E1150 PolarHBondContact O-N 3.11Å |
| 1148 | L | 95.9 | Very high | 95.8 | Very high | 140 Ų | 140 | 56 Ų | 56 | 73% | 0.733 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -72.6 | -13.7 | 177.2 | -73.8 | 169.3 | 0 | 0 | 0 | 114.4 | E1144 A1145 | E1144-L1148 WeakPolarHBondContact O-CB 3.33Å; E1144-L1148 VanDerWaalsContact O-CG 3.24Å; E1144-L1148 WeakPolarHBondContact O-CG 3.11Å; E1144-L1148 PolarHBondContact O-N 3.34Å; A1145-L1148 PolarHBondContact O-N 3.49Å |
| 1149 | Q | 95.9 | Very high | 96.1 | Very high | 91 Ų | 91 | 54.8 Ų | 54.8 | 43% | 0.425 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 15.5 | 172.3 | -66.9 | -165.9 | -0.5 | 0 | 0 | 112.4 | A1145 F1146 R1147 I1151 S1167 M1168 | A1145-Q1149 PolarHBondContact O-N 3.04Å; F1146-Q1149 CarbonylContact O-C 3.54Å; F1146-Q1149 PolarHBondContact O-N 3.14Å; R1147-Q1149 VanDerWaalsContact C-N 3.26Å; R1147-Q1149 PolarHBondContact O-N 3.16Å; Q1149-I1151 HydrophobicContact CB-CD1 3.99Å; Q1149-I1151 HydrophobicContact CB-CG1 3.8Å; Q1149-I1151 WeakPolarHBondContact O-CG1 3.3Å; Q1149-I1151 PolarHBondContact O-N 3Å; Q1149-I1151 VanDerWaalsContact O-N 3.1Å; Q1149-S1167 PolarHBondContact NE2-O 3.48Å; Q1149-M1168 VanDerWaalsContact CD-CG 3.41Å; Q1149-M1168 HydrophobicContact CG-CG 4.39Å |
| 1150 | E | 96.8 | Very high | 96.1 | Very high | 163 Ų | 163 | 57.8 Ų | 57.8 | 76% | 0.762 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 36.1 | 174.1 | -58.2 | -177.8 | 144.3 | 0 | 0 | 113.2 | F1146 R1147 D1152 | F1146-E1150 PolarHBondContact O-N 3.44Å; F1146-E1150 VanDerWaalsContact O-N 3.17Å; R1147-E1150 PolarHBondContact O-N 3.11Å; E1150-D1152 PolarHBondContact O-N 3.47Å; E1150-D1152 VanDerWaalsContact O-N 3.15Å |
| 1151 | I | 97.3 | Very high | 96.2 | Very high | 8 Ų | 8 | 60.5 Ų | 60.5 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | | | trans | -77.6 | 104.5 | -173.3 | -55.4 | -173.2 | 0 | 0 | 0 | 110 | V1129 F1146 Q1149 A1155 L1156 L1159 M1168 | V1129-I1151 WeakPolarHBondContact CB-O 3.31Å; V1129-I1151 HydrophobicContact CG1-CG2 4.43Å; V1129-I1151 WeakPolarHBondContact CG1-O 3.48Å; F1146-I1151 HydrophobicContact CB-CB 4.31Å; F1146-I1151 HydrophobicContact CB-CD1 4.48Å; F1146-I1151 HydrophobicContact CD1-CB 4.17Å; F1146-I1151 HydrophobicContact CD1-CD1 3.9Å; F1146-I1151 HydrophobicContact CD1-CG2 4.01Å; F1146-I1151 HydrophobicContact CE1-CD1 4.42Å; F1146-I1151 HydrophobicContact CG-CD1 4.31Å; F1146-I1151 PolarHBondContact O-N 3.21Å; Q1149-I1151 HydrophobicContact CB-CD1 3.99Å; Q1149-I1151 HydrophobicContact CB-CG1 3.8Å; Q1149-I1151 WeakPolarHBondContact O-CG1 3.3Å; Q1149-I1151 PolarHBondContact O-N 3Å; Q1149-I1151 VanDerWaalsContact O-N 3.1Å; I1151-A1155 HydrophobicContact CG2-CB 3.86Å; I1151-L1156 HydrophobicContact CG2-CB 4.28Å; I1151-L1159 HydrophobicContact CD1-CD1 4.08Å; I1151-L1159 HydrophobicContact CD1-CD2 4.46Å; I1151-L1159 HydrophobicContact CG2-CD1 4.06Å; I1151-M1168 HydrophobicContact CD1-CE 3.39Å; I1151-M1168 HydrophobicContact CD1-SD 3.6Å; I1151-M1168 VanDerWaalsContact CD1-SD 3.6Å |
| 1152 | D | 97.2 | Very high | 96.3 | Very high | 52 Ų | 52 | 59.9 Ų | 59.9 | 28% | 0.278 | 31% | 0.305 | S | S | . | . | | | trans | -80.8 | 179.6 | 172.6 | 85.2 | -36.7 | 0 | 0 | 0 | 112.4 | V1126 V1129 E1150 Q1154 A1155 L1156 | V1126-D1152 HydrophobicContact CG2-CB 4.36Å; V1129-D1152 VanDerWaalsContact CG2-C 3.49Å; E1150-D1152 PolarHBondContact O-N 3.47Å; E1150-D1152 VanDerWaalsContact O-N 3.15Å; D1152-Q1154 VanDerWaalsContact C-N 3.29Å; D1152-Q1154 PolarHBondContact O-N 3.18Å; D1152-Q1154 PolarHBondContact OD1-N 3.38Å; D1152-Q1154 WeakPolarHBondContact OD2-CB 3.43Å; D1152-Q1154 PolarHBondContact OD2-N 3.32Å; D1152-A1155 PolarHBondContact O-N 3.23Å; D1152-A1155 WeakPolarHBondContact OD1-CB 3.47Å; D1152-A1155 PolarHBondContact OD1-N 3.22Å; D1152-L1156 VanDerWaalsContact O-CB 3.27Å; D1152-L1156 WeakPolarHBondContact O-CB 3.36Å; D1152-L1156 PolarHBondContact O-N 3.3Å |
| 1153 | G | 96.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.2 | -34.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P1121 W1124 L1157 | P1121-G1153 CarbonylContact O-C 3.31Å; P1121-G1153 WeakPolarHBondContact O-CA 3.37Å; W1124-G1153 PolarHBondContact O-N 3.21Å; G1153-L1157 VanDerWaalsContact O-CG 3.28Å; G1153-L1157 WeakPolarHBondContact O-CG 3.17Å; G1153-L1157 PolarHBondContact O-N 3.41Å |
| 1154 | Q | 96 | Very high | 96.4 | Very high | 120 Ų | 120 | 62.7 Ų | 62.7 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -71.4 | -49 | 179.4 | -57.8 | -171 | 9.4 | 0 | 0 | 111 | A1122 D1152 L1156 L1157 L1158 | A1122-Q1154 HydrophobicContact CB-CG 4.49Å; A1122-Q1154 WeakPolarHBondContact O-CG 3.48Å; A1122-Q1154 PolarHBondContact O-NE2 2.89Å; D1152-Q1154 VanDerWaalsContact C-N 3.29Å; D1152-Q1154 PolarHBondContact O-N 3.18Å; D1152-Q1154 PolarHBondContact OD1-N 3.38Å; D1152-Q1154 WeakPolarHBondContact OD2-CB 3.43Å; D1152-Q1154 PolarHBondContact OD2-N 3.32Å; Q1154-L1156 VanDerWaalsContact C-N 3.35Å; Q1154-L1156 PolarHBondContact O-N 3.13Å; Q1154-L1157 PolarHBondContact O-N 2.9Å; Q1154-L1158 WeakPolarHBondContact O-CG 3.34Å; Q1154-L1158 PolarHBondContact O-N 2.83Å |
| 1155 | A | 97 | Very high | 96.5 | Very high | 34 Ų | 34 | 62.2 Ų | 62.2 | 28% | 0.281 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1151 D1152 L1157 L1158 L1159 | I1151-A1155 HydrophobicContact CG2-CB 3.86Å; D1152-A1155 PolarHBondContact O-N 3.23Å; D1152-A1155 WeakPolarHBondContact OD1-CB 3.47Å; D1152-A1155 PolarHBondContact OD1-N 3.22Å; A1155-L1157 VanDerWaalsContact C-N 3.28Å; A1155-L1157 PolarHBondContact O-N 3.47Å; A1155-L1158 CarbonylContact O-C 3.56Å; A1155-L1158 WeakPolarHBondContact O-CA 3.19Å; A1155-L1158 PolarHBondContact O-N 3.26Å; A1155-L1159 WeakPolarHBondContact O-CG 3.46Å; A1155-L1159 PolarHBondContact O-N 3.44Å; A1155-L1159 VanDerWaalsContact O-N 3.11Å |
| 1156 | L | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -53 | -43.8 | 177.4 | 177.4 | 67.7 | 0 | 0 | 0 | 112.2 | W1124 V1129 F1132 I1133 F1146 I1151 D1152 Q1154 L1158 L1159 I1182 L1185 | W1124-L1156 HydrophobicContact CE3-CD2 4.18Å; W1124-L1156 HydrophobicContact CZ3-CD2 4.21Å; V1129-L1156 HydrophobicContact CG1-CB 4.36Å; V1129-L1156 HydrophobicContact CG1-CD1 4.15Å; V1129-L1156 HydrophobicContact CG1-CD2 4.09Å; V1129-L1156 HydrophobicContact CG1-CG 4.42Å; V1129-L1156 HydrophobicContact CG2-CB 4.22Å; V1129-L1156 HydrophobicContact CG2-CD2 3.93Å; F1132-L1156 HydrophobicContact CD1-CD2 4.15Å; F1132-L1156 HydrophobicContact CE1-CD2 4.33Å; I1133-L1156 HydrophobicContact CD1-CD1 4.35Å; F1146-L1156 HydrophobicContact CD1-CD1 4.33Å; F1146-L1156 HydrophobicContact CE1-CD1 3.9Å; I1151-L1156 HydrophobicContact CG2-CB 4.28Å; D1152-L1156 VanDerWaalsContact O-CB 3.27Å; D1152-L1156 WeakPolarHBondContact O-CB 3.36Å; D1152-L1156 PolarHBondContact O-N 3.3Å; Q1154-L1156 VanDerWaalsContact C-N 3.35Å; Q1154-L1156 PolarHBondContact O-N 3.13Å; L1156-L1158 PolarHBondContact O-N 3.05Å; L1156-L1159 HydrophobicContact CD1-CD1 4.28Å; L1156-L1159 PolarHBondContact O-N 3.28Å; L1156-I1182 HydrophobicContact CD1-CD1 3.8Å; L1156-I1182 HydrophobicContact CD1-CG1 3.78Å; L1156-I1182 HydrophobicContact CG-CD1 4.48Å; L1156-I1182 HydrophobicContact CG-CG1 4.12Å; L1156-I1182 WeakPolarHBondContact O-CD1 3.42Å; L1156-L1185 HydrophobicContact CD2-CD1 4.13Å |
| 1157 | L | 96 | Very high | 96.1 | Very high | 27 Ų | 27 | 68 Ų | 68 | 14% | 0.141 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -73.1 | -14.4 | 179.3 | -61.4 | 168.5 | 0 | 0 | 0 | 113.1 | P1121 A1122 G1153 Q1154 A1155 L1185 K1186 | P1121-L1157 HydrophobicContact CB-CD1 4.14Å; P1121-L1157 HydrophobicContact CB-CD2 4.04Å; P1121-L1157 HydrophobicContact CB-CG 4.49Å; A1122-L1157 HydrophobicContact CB-CD1 3.8Å; G1153-L1157 VanDerWaalsContact O-CG 3.28Å; G1153-L1157 WeakPolarHBondContact O-CG 3.17Å; G1153-L1157 PolarHBondContact O-N 3.41Å; Q1154-L1157 PolarHBondContact O-N 2.9Å; A1155-L1157 VanDerWaalsContact C-N 3.28Å; A1155-L1157 PolarHBondContact O-N 3.47Å; L1157-L1185 HydrophobicContact CD2-CB 4.01Å; L1157-K1186 HydrophobicContact CB-CD 4.43Å; L1157-K1186 HydrophobicContact CB-CG 4.29Å; L1157-K1186 HydrophobicContact CD2-CD 4.4Å; L1157-K1186 HydrophobicContact CD2-CG 3.52Å; L1157-K1186 HydrophobicContact CG-CG 4.45Å; L1157-K1186 WeakPolarHBondContact O-CD 3.37Å; L1157-K1186 WeakPolarHBondContact O-CE 3.39Å; L1157-K1186 PolarHBondContact O-NZ 2.72Å |
| 1158 | L | 95.9 | Very high | 96 | Very high | 128 Ų | 128 | 64.1 Ų | 64.1 | 67% | 0.67 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -97.3 | -10 | 176.2 | -63.6 | 174.6 | 0 | 0 | 0 | 113.5 | Q1154 A1155 L1156 T1160 | Q1154-L1158 WeakPolarHBondContact O-CG 3.34Å; Q1154-L1158 PolarHBondContact O-N 2.83Å; A1155-L1158 CarbonylContact O-C 3.56Å; A1155-L1158 WeakPolarHBondContact O-CA 3.19Å; A1155-L1158 PolarHBondContact O-N 3.26Å; L1156-L1158 PolarHBondContact O-N 3.05Å; L1158-T1160 PolarHBondContact O-N 3.14Å |
| 1159 | L | 96.1 | Very high | 96 | Very high | 28 Ų | 28 | 63.9 Ų | 63.9 | 15% | 0.147 | 34% | 0.337 | C | S | . | . | | | trans | -65.5 | 132.4 | 179.6 | -68.1 | 176.4 | 0 | 0 | 0 | 112.7 | F1146 I1151 A1155 L1156 H1163 L1164 M1168 I1182 | F1146-L1159 HydrophobicContact CD1-CD1 4.25Å; F1146-L1159 HydrophobicContact CE1-CD1 3.54Å; F1146-L1159 HydrophobicContact CZ-CD1 4.33Å; I1151-L1159 HydrophobicContact CD1-CD1 4.08Å; I1151-L1159 HydrophobicContact CD1-CD2 4.46Å; I1151-L1159 HydrophobicContact CG2-CD1 4.06Å; A1155-L1159 WeakPolarHBondContact O-CG 3.46Å; A1155-L1159 PolarHBondContact O-N 3.44Å; A1155-L1159 VanDerWaalsContact O-N 3.11Å; L1156-L1159 HydrophobicContact CD1-CD1 4.28Å; L1156-L1159 PolarHBondContact O-N 3.28Å; L1159-H1163 HydrophobicContact CD2-CB 3.92Å; L1159-L1164 HydrophobicContact CB-CD2 4.16Å; L1159-L1164 HydrophobicContact CD1-CD2 3.74Å; L1159-L1164 HydrophobicContact CG-CD2 4.39Å; L1159-M1168 HydrophobicContact CD1-CE 3.82Å; L1159-M1168 HydrophobicContact CD2-CE 4.3Å; L1159-I1182 HydrophobicContact CB-CD1 4.14Å |
| 1160 | T | 95.8 | Very high | 96 | Very high | 64 Ų | 64 | 59.9 Ų | 59.9 | 39% | 0.393 | 32% | 0.318 | S | S | . | . | | | trans | -102.9 | 163.9 | 171.7 | 69.7 | 0 | 0 | 0 | 0 | 110.6 | L1158 D1162 H1163 L1164 | L1158-T1160 PolarHBondContact O-N 3.14Å; T1160-D1162 PolarHBondContact O-N 3.16Å; T1160-H1163 PolarHBondContact N-ND1 2.86Å; T1160-H1163 PolarHBondContact O-N 3.33Å; T1160-H1163 VanDerWaalsContact O-N 3.11Å; T1160-H1163 PolarHBondContact OG1-CD2 3.09Å; T1160-H1163 VanDerWaalsContact OG1-CG 3.29Å; T1160-H1163 PolarHBondContact OG1-N 2.9Å; T1160-H1163 PolarHBondContact OG1-NE2 3.24Å; T1160-L1164 WeakPolarHBondContact O-CG 3.15Å; T1160-L1164 PolarHBondContact O-N 3.26Å |
| 1161 | E | 96.6 | Very high | 96 | Very high | 85 Ų | 85 | 59.3 Ų | 59.3 | 40% | 0.397 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -52.9 | -38.2 | 174.3 | -176.7 | -178 | 159.2 | 0 | 0 | 112 | L1164 M1165 L1172 L1176 C1179 | E1161-L1164 PolarHBondContact O-N 3.38Å; E1161-M1165 HydrophobicContact CG-SD 4.2Å; E1161-M1165 WeakPolarHBondContact O-CG 3.41Å; E1161-M1165 PolarHBondContact O-N 2.82Å; E1161-L1172 WeakPolarHBondContact OE1-CD1 3.18Å; E1161-L1176 VanDerWaalsContact CD-CD2 3.48Å; E1161-L1176 HydrophobicContact CG-CD2 4.26Å; E1161-L1176 WeakPolarHBondContact OE2-CD2 3.43Å; E1161-C1179 VanDerWaalsContact CA-SG 3.58Å; E1161-C1179 PolarHBondContact N-SG 3.3Å |
| 1162 | D | 96.4 | Very high | 95.9 | Very high | 96 Ų | 96 | 63 Ų | 63 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.4 | -50.5 | 176.5 | -165.9 | 94.7 | 0 | 0 | 0 | 111.1 | T1160 L1164 M1165 T1166 | T1160-D1162 PolarHBondContact O-N 3.16Å; D1162-L1164 PolarHBondContact O-N 3.24Å; D1162-L1164 VanDerWaalsContact O-N 3.13Å; D1162-M1165 CarbonylContact O-C 3.21Å; D1162-M1165 WeakPolarHBondContact O-CA 3.2Å; D1162-M1165 PolarHBondContact O-N 3.39Å; D1162-T1166 PolarHBondContact O-N 3.29Å; D1162-T1166 PolarHBondContact O-OG1 3.3Å; D1162-T1166 WeakPolarHBondContact OD2-CG2 3.45Å; D1162-T1166 PolarHBondContact OD2-OG1 3.46Å |
| 1163 | H | 96.4 | Very high | 95.8 | Very high | 78 Ų | 78 | 62.4 Ų | 62.4 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.4 | -36.8 | -179.2 | -55 | 172.3 | 0 | 0 | 0 | 112.1 | L1159 T1160 S1167 M1168 | L1159-H1163 HydrophobicContact CD2-CB 3.92Å; T1160-H1163 PolarHBondContact N-ND1 2.86Å; T1160-H1163 PolarHBondContact O-N 3.33Å; T1160-H1163 VanDerWaalsContact O-N 3.11Å; T1160-H1163 PolarHBondContact OG1-CD2 3.09Å; T1160-H1163 VanDerWaalsContact OG1-CG 3.29Å; T1160-H1163 PolarHBondContact OG1-N 2.9Å; T1160-H1163 PolarHBondContact OG1-NE2 3.24Å; H1163-S1167 WeakPolarHBondContact O-CB 3.23Å; H1163-S1167 PolarHBondContact O-N 3.25Å; H1163-M1168 PolarHBondContact O-N 3.29Å |
| 1164 | L | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.7 | -44 | 174.4 | -55 | -171 | 0 | 0 | 0 | 111.3 | F1146 L1159 T1160 E1161 D1162 M1168 N1169 I1170 A1175 I1178 C1179 | F1146-L1164 HydrophobicContact CE1-CD2 4.41Å; F1146-L1164 HydrophobicContact CZ-CD2 3.91Å; L1159-L1164 HydrophobicContact CB-CD2 4.16Å; L1159-L1164 HydrophobicContact CD1-CD2 3.74Å; L1159-L1164 HydrophobicContact CG-CD2 4.39Å; T1160-L1164 WeakPolarHBondContact O-CG 3.15Å; T1160-L1164 PolarHBondContact O-N 3.26Å; E1161-L1164 PolarHBondContact O-N 3.38Å; D1162-L1164 PolarHBondContact O-N 3.24Å; D1162-L1164 VanDerWaalsContact O-N 3.13Å; L1164-M1168 HydrophobicContact CD2-CE 3.37Å; L1164-M1168 CarbonylContact O-C 3.58Å; L1164-M1168 WeakPolarHBondContact O-CB 3.38Å; L1164-N1169 PolarHBondContact O-N 2.83Å; L1164-I1170 HydrophobicContact CB-CB 4.36Å; L1164-I1170 HydrophobicContact CB-CD1 4.34Å; L1164-I1170 HydrophobicContact CD2-CD1 4.45Å; L1164-I1170 VanDerWaalsContact O-CB 3.25Å; L1164-I1170 WeakPolarHBondContact O-CB 3.31Å; L1164-I1170 PolarHBondContact O-N 2.69Å; L1164-A1175 HydrophobicContact CB-CB 3.77Å; L1164-A1175 HydrophobicContact CD1-CB 3.88Å; L1164-A1175 VanDerWaalsContact CD1-O 3.3Å; L1164-A1175 WeakPolarHBondContact CD1-O 3.45Å; L1164-A1175 HydrophobicContact CG-CB 4.46Å; L1164-I1178 HydrophobicContact CD1-CB 3.89Å; L1164-I1178 HydrophobicContact CD1-CG2 3.95Å; L1164-C1179 VanDerWaalsContact CD1-SG 3.51Å |
| 1165 | M | 96.8 | Very high | 95.8 | Very high | 72 Ų | 72 | 57.9 Ų | 57.9 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -82.2 | -38.6 | -173.8 | -70.9 | -175.4 | 54.5 | 0 | 0 | 114.8 | E1161 D1162 N1169 I1170 L1172 A1175 | E1161-M1165 HydrophobicContact CG-SD 4.2Å; E1161-M1165 WeakPolarHBondContact O-CG 3.41Å; E1161-M1165 PolarHBondContact O-N 2.82Å; D1162-M1165 CarbonylContact O-C 3.21Å; D1162-M1165 WeakPolarHBondContact O-CA 3.2Å; D1162-M1165 PolarHBondContact O-N 3.39Å; M1165-N1169 WeakPolarHBondContact O-CA 3.33Å; M1165-I1170 WeakPolarHBondContact CA-O 3.41Å; M1165-I1170 WeakPolarHBondContact CG-O 3.5Å; M1165-L1172 HydrophobicContact CE-CB 4.02Å; M1165-L1172 HydrophobicContact CE-CD1 4.19Å; M1165-L1172 HydrophobicContact SD-CB 3.93Å; M1165-L1172 HydrophobicContact SD-CD1 3.48Å; M1165-L1172 WeakPolarHBondContact SD-CD1 3.23Å; M1165-L1172 HydrophobicContact SD-CG 4.31Å; M1165-A1175 HydrophobicContact CG-CB 3.9Å |
| 1166 | T | 94.1 | Very high | 95.8 | Very high | 72 Ų | 72 | 60.1 Ų | 60.1 | 44% | 0.442 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -59.5 | -176.6 | 58.5 | 0 | 0 | 0 | 0 | 110.5 | D1162 N1169 | D1162-T1166 PolarHBondContact O-N 3.29Å; D1162-T1166 PolarHBondContact O-OG1 3.3Å; D1162-T1166 WeakPolarHBondContact OD2-CG2 3.45Å; D1162-T1166 PolarHBondContact OD2-OG1 3.46Å; T1166-N1169 PolarHBondContact O-ND2 3.39Å |
| 1167 | S | 92.1 | Very high | 95.8 | Very high | 72 Ų | 72 | 64.4 Ų | 64.4 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -35.9 | -175.1 | -52.2 | 0 | 0 | 0 | 0 | 114.5 | Q1149 H1163 | Q1149-S1167 PolarHBondContact NE2-O 3.48Å; H1163-S1167 WeakPolarHBondContact O-CB 3.23Å; H1163-S1167 PolarHBondContact O-N 3.25Å |
| 1168 | M | 94.4 | Very high | 95.8 | Very high | 16 Ų | 16 | 63.1 Ų | 63.1 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -99.2 | -3.1 | 176.6 | -78.4 | -166.5 | -89.1 | 0 | 0 | 114.6 | A1145 F1146 Q1149 I1151 L1159 H1163 L1164 I1170 | A1145-M1168 HydrophobicContact CB-CG 4.49Å; A1145-M1168 HydrophobicContact CB-SD 4.12Å; F1146-M1168 HydrophobicContact CD1-CE 4.32Å; F1146-M1168 HydrophobicContact CD2-SD 3.99Å; F1146-M1168 HydrophobicContact CE1-CE 3.89Å; F1146-M1168 HydrophobicContact CE2-CE 4.12Å; F1146-M1168 HydrophobicContact CE2-SD 3.97Å; F1146-M1168 HydrophobicContact CG-SD 4.23Å; F1146-M1168 HydrophobicContact CZ-CE 3.75Å; F1146-M1168 HydrophobicContact CZ-SD 4.21Å; Q1149-M1168 VanDerWaalsContact CD-CG 3.41Å; Q1149-M1168 HydrophobicContact CG-CG 4.39Å; I1151-M1168 HydrophobicContact CD1-CE 3.39Å; I1151-M1168 HydrophobicContact CD1-SD 3.6Å; I1151-M1168 VanDerWaalsContact CD1-SD 3.6Å; L1159-M1168 HydrophobicContact CD1-CE 3.82Å; L1159-M1168 HydrophobicContact CD2-CE 4.3Å; H1163-M1168 PolarHBondContact O-N 3.29Å; L1164-M1168 HydrophobicContact CD2-CE 3.37Å; L1164-M1168 CarbonylContact O-C 3.58Å; L1164-M1168 WeakPolarHBondContact O-CB 3.38Å; M1168-I1170 HydrophobicContact CB-CD1 3.72Å; M1168-I1170 HydrophobicContact CB-CG1 3.78Å; M1168-I1170 HydrophobicContact CE-CD1 4.15Å; M1168-I1170 HydrophobicContact CG-CD1 4.43Å; M1168-I1170 PolarHBondContact O-N 3.36Å; M1168-I1170 HydrophobicContact SD-CD1 3.87Å |
| 1169 | N | 94.7 | Very high | 95.8 | Very high | 135 Ų | 135 | 57.8 Ų | 57.8 | 72% | 0.722 | 31% | 0.312 | S | S | * | . | | | trans | 52.5 | 24.7 | -174.8 | -53.6 | 137.2 | 0 | 0 | 0 | 114.7 | L1164 M1165 T1166 | L1164-N1169 PolarHBondContact O-N 2.83Å; M1165-N1169 WeakPolarHBondContact O-CA 3.33Å; T1166-N1169 PolarHBondContact O-ND2 3.39Å |
| 1170 | I | 95.9 | Very high | 95.9 | Very high | 7 Ų | 7 | 59.3 Ų | 59.3 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | | | trans | -70.1 | 138.3 | 177.4 | -63.8 | 169.7 | 0 | 0 | 0 | 108.7 | V1142 F1146 L1164 M1165 M1168 P1174 A1175 | V1142-I1170 HydrophobicContact CB-CD1 4.11Å; V1142-I1170 HydrophobicContact CB-CG1 4.03Å; V1142-I1170 HydrophobicContact CG1-CG1 4.07Å; V1142-I1170 HydrophobicContact CG1-CG2 4.21Å; V1142-I1170 HydrophobicContact CG2-CD1 4.25Å; V1142-I1170 HydrophobicContact CG2-CG1 4.5Å; V1142-I1170 HydrophobicContact CG2-CG2 4.38Å; F1146-I1170 HydrophobicContact CE2-CD1 3.64Å; F1146-I1170 HydrophobicContact CZ-CD1 4.16Å; L1164-I1170 HydrophobicContact CB-CB 4.36Å; L1164-I1170 HydrophobicContact CB-CD1 4.34Å; L1164-I1170 HydrophobicContact CD2-CD1 4.45Å; L1164-I1170 VanDerWaalsContact O-CB 3.25Å; L1164-I1170 WeakPolarHBondContact O-CB 3.31Å; L1164-I1170 PolarHBondContact O-N 2.69Å; M1165-I1170 WeakPolarHBondContact CA-O 3.41Å; M1165-I1170 WeakPolarHBondContact CG-O 3.5Å; M1168-I1170 HydrophobicContact CB-CD1 3.72Å; M1168-I1170 HydrophobicContact CB-CG1 3.78Å; M1168-I1170 HydrophobicContact CE-CD1 4.15Å; M1168-I1170 HydrophobicContact CG-CD1 4.43Å; M1168-I1170 PolarHBondContact O-N 3.36Å; M1168-I1170 HydrophobicContact SD-CD1 3.87Å; I1170-P1174 HydrophobicContact CG2-CB 3.83Å; I1170-A1175 HydrophobicContact CG2-CB 4.06Å |
| 1171 | K | 96.5 | Very high | 95.8 | Very high | 151 Ų | 151 | 59.7 Ų | 59.7 | 66% | 0.657 | 33% | 0.326 | S | S | * | . | | | trans | -67.5 | 143.4 | 177.8 | -62.4 | 162.4 | -166.2 | 141.9 | 0 | 109.7 | G1173 P1174 A1175 | K1171-G1173 PolarHBondContact O-N 3.12Å; K1171-P1174 VanDerWaalsContact O-CD 3.23Å; K1171-P1174 WeakPolarHBondContact O-CD 3.18Å; K1171-A1175 WeakPolarHBondContact O-CB 3.22Å; K1171-A1175 PolarHBondContact O-N 2.99Å |
| 1172 | L | 95.6 | Very high | 95.8 | Very high | 85 Ų | 85 | 55.8 Ų | 55.8 | 45% | 0.445 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -41.5 | -41.4 | 177.3 | 179.2 | 64.9 | 0 | 0 | 0 | 114.5 | E1161 M1165 A1175 L1176 | E1161-L1172 WeakPolarHBondContact OE1-CD1 3.18Å; M1165-L1172 HydrophobicContact CE-CB 4.02Å; M1165-L1172 HydrophobicContact CE-CD1 4.19Å; M1165-L1172 HydrophobicContact SD-CB 3.93Å; M1165-L1172 HydrophobicContact SD-CD1 3.48Å; M1165-L1172 WeakPolarHBondContact SD-CD1 3.23Å; M1165-L1172 HydrophobicContact SD-CG 4.31Å; L1172-A1175 PolarHBondContact O-N 3.21Å; L1172-L1176 HydrophobicContact CD1-CD1 3.73Å; L1172-L1176 HydrophobicContact CD1-CD2 4.49Å; L1172-L1176 HydrophobicContact CD1-CG 3.88Å; L1172-L1176 HydrophobicContact CG-CD1 3.88Å; L1172-L1176 HydrophobicContact CG-CG 4.39Å; L1172-L1176 WeakPolarHBondContact O-CB 3.37Å; L1172-L1176 VanDerWaalsContact O-CG 3.28Å; L1172-L1176 WeakPolarHBondContact O-CG 3.4Å; L1172-L1176 PolarHBondContact O-N 3.16Å |
| 1173 | G | 95.5 | Very high | 95.7 | Very high | 41 Ų | 41 | 55.6 Ų | 55.6 | 42% | 0.423 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.5 | -63.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | K1171 A1175 K1177 | K1171-G1173 PolarHBondContact O-N 3.12Å; G1173-A1175 VanDerWaalsContact C-N 3.29Å; G1173-A1175 PolarHBondContact O-N 3.4Å; G1173-K1177 PolarHBondContact O-N 3.27Å |
| 1174 | P | 95.9 | Very high | 95.6 | Very high | 24 Ų | 24 | 54.2 Ų | 54.2 | 16% | 0.156 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.4 | -37.2 | 170.1 | -29.2 | 35.5 | 0 | 0 | 0 | 114.3 | V1142 I1170 K1171 K1177 I1178 | V1142-P1174 HydrophobicContact CG2-CB 4.44Å; I1170-P1174 HydrophobicContact CG2-CB 3.83Å; K1171-P1174 VanDerWaalsContact O-CD 3.23Å; K1171-P1174 WeakPolarHBondContact O-CD 3.18Å; P1174-K1177 WeakPolarHBondContact O-CB 3.47Å; P1174-K1177 PolarHBondContact O-N 3.42Å; P1174-I1178 WeakPolarHBondContact O-CD1 3.3Å; P1174-I1178 VanDerWaalsContact O-CG1 3.28Å; P1174-I1178 WeakPolarHBondContact O-CG1 3.27Å; P1174-I1178 PolarHBondContact O-N 3.47Å |
| 1175 | A | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.1 | -53 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1164 M1165 I1170 K1171 L1172 G1173 K1177 I1178 C1179 | L1164-A1175 HydrophobicContact CB-CB 3.77Å; L1164-A1175 HydrophobicContact CD1-CB 3.88Å; L1164-A1175 VanDerWaalsContact CD1-O 3.3Å; L1164-A1175 WeakPolarHBondContact CD1-O 3.45Å; L1164-A1175 HydrophobicContact CG-CB 4.46Å; M1165-A1175 HydrophobicContact CG-CB 3.9Å; I1170-A1175 HydrophobicContact CG2-CB 4.06Å; K1171-A1175 WeakPolarHBondContact O-CB 3.22Å; K1171-A1175 PolarHBondContact O-N 2.99Å; L1172-A1175 PolarHBondContact O-N 3.21Å; G1173-A1175 VanDerWaalsContact C-N 3.29Å; G1173-A1175 PolarHBondContact O-N 3.4Å; A1175-K1177 VanDerWaalsContact C-N 3.3Å; A1175-K1177 PolarHBondContact O-N 3.3Å; A1175-I1178 PolarHBondContact O-N 3.5Å; A1175-I1178 VanDerWaalsContact O-N 3.09Å; A1175-C1179 PolarHBondContact O-N 3.35Å |
| 1176 | L | 96.8 | Very high | 95.1 | Very high | 81 Ų | 81 | 56.6 Ų | 56.6 | 42% | 0.424 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.9 | -38 | 177.2 | -73.9 | 170.3 | 0 | 0 | 0 | 112.9 | E1161 L1172 A1180 | E1161-L1176 VanDerWaalsContact CD-CD2 3.48Å; E1161-L1176 HydrophobicContact CG-CD2 4.26Å; E1161-L1176 WeakPolarHBondContact OE2-CD2 3.43Å; L1172-L1176 HydrophobicContact CD1-CD1 3.73Å; L1172-L1176 HydrophobicContact CD1-CD2 4.49Å; L1172-L1176 HydrophobicContact CD1-CG 3.88Å; L1172-L1176 HydrophobicContact CG-CD1 3.88Å; L1172-L1176 HydrophobicContact CG-CG 4.39Å; L1172-L1176 WeakPolarHBondContact O-CB 3.37Å; L1172-L1176 VanDerWaalsContact O-CG 3.28Å; L1172-L1176 WeakPolarHBondContact O-CG 3.4Å; L1172-L1176 PolarHBondContact O-N 3.16Å; L1176-A1180 WeakPolarHBondContact O-CB 3.19Å; L1176-A1180 PolarHBondContact O-N 2.75Å |
| 1177 | K | 96.4 | Very high | 94.6 | Very high | 90 Ų | 90 | 59.9 Ų | 59.9 | 39% | 0.391 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.2 | -48.9 | 173.2 | -73.4 | 178.9 | 176.1 | 179.1 | 0 | 111.4 | P1137 G1173 P1174 A1175 A1180 H1181 | P1137-K1177 PolarHBondContact O-NZ 3.47Å; G1173-K1177 PolarHBondContact O-N 3.27Å; P1174-K1177 WeakPolarHBondContact O-CB 3.47Å; P1174-K1177 PolarHBondContact O-N 3.42Å; A1175-K1177 VanDerWaalsContact C-N 3.3Å; A1175-K1177 PolarHBondContact O-N 3.3Å; K1177-A1180 PolarHBondContact O-N 3.18Å; K1177-H1181 PolarHBondContact O-CD2 3.23Å; K1177-H1181 PolarHBondContact O-N 3.4Å |
| 1178 | I | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.4 | -44.2 | -178.1 | -66.3 | 162.7 | 0 | 0 | 0 | 109.9 | I1133 L1136 C1139 V1142 F1146 L1164 P1174 A1175 A1180 H1181 I1182 | I1133-I1178 HydrophobicContact CD1-CD1 4.42Å; I1133-I1178 HydrophobicContact CD1-CG1 4.16Å; I1133-I1178 HydrophobicContact CD1-CG2 3.76Å; I1133-I1178 HydrophobicContact CG2-CD1 4.2Å; L1136-I1178 HydrophobicContact CD1-CG1 4.04Å; C1139-I1178 HydrophobicContact CB-CD1 4.19Å; C1139-I1178 HydrophobicContact CB-CG1 4.28Å; V1142-I1178 HydrophobicContact CG2-CD1 3.79Å; F1146-I1178 HydrophobicContact CE1-CG2 4.42Å; F1146-I1178 HydrophobicContact CE2-CD1 3.99Å; F1146-I1178 HydrophobicContact CZ-CD1 3.99Å; F1146-I1178 HydrophobicContact CZ-CG2 3.93Å; L1164-I1178 HydrophobicContact CD1-CB 3.89Å; L1164-I1178 HydrophobicContact CD1-CG2 3.95Å; P1174-I1178 WeakPolarHBondContact O-CD1 3.3Å; P1174-I1178 VanDerWaalsContact O-CG1 3.28Å; P1174-I1178 WeakPolarHBondContact O-CG1 3.27Å; P1174-I1178 PolarHBondContact O-N 3.47Å; A1175-I1178 PolarHBondContact O-N 3.5Å; A1175-I1178 VanDerWaalsContact O-N 3.09Å; I1178-A1180 VanDerWaalsContact C-N 3.34Å; I1178-A1180 PolarHBondContact O-N 3.32Å; I1178-H1181 CarbonylContact O-C 3.52Å; I1178-H1181 PolarHBondContact O-N 3.28Å; I1178-H1181 VanDerWaalsContact O-N 3.14Å; I1178-I1182 HydrophobicContact CG2-CD1 3.64Å; I1178-I1182 HydrophobicContact CG2-CG1 4.2Å; I1178-I1182 VanDerWaalsContact O-CG1 3.3Å; I1178-I1182 WeakPolarHBondContact O-CG1 2.86Å; I1178-I1182 PolarHBondContact O-N 3.48Å |
| 1179 | C | 96.3 | Very high | 93.7 | Very high | 16 Ų | 16 | 68.1 Ų | 68.1 | 11% | 0.108 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60 | -39.3 | 173.3 | -69.3 | 0 | 0 | 0 | 0 | 113.2 | E1161 L1164 A1175 H1181 I1182 N1183 | E1161-C1179 VanDerWaalsContact CA-SG 3.58Å; E1161-C1179 PolarHBondContact N-SG 3.3Å; L1164-C1179 VanDerWaalsContact CD1-SG 3.51Å; A1175-C1179 PolarHBondContact O-N 3.35Å; C1179-H1181 VanDerWaalsContact C-N 3.33Å; C1179-H1181 PolarHBondContact O-N 3.48Å; C1179-I1182 PolarHBondContact O-N 2.86Å; C1179-N1183 WeakPolarHBondContact O-CB 3.03Å; C1179-N1183 VanDerWaalsContact O-CG 3.3Å; C1179-N1183 PolarHBondContact O-N 3.11Å; C1179-N1183 PolarHBondContact O-ND2 3.01Å |
| 1180 | A | 96.3 | Very high | 93.6 | Very high | 60 Ų | 60 | 64.5 Ų | 64.5 | 50% | 0.496 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | L1176 K1177 I1178 A1184 | L1176-A1180 WeakPolarHBondContact O-CB 3.19Å; L1176-A1180 PolarHBondContact O-N 2.75Å; K1177-A1180 PolarHBondContact O-N 3.18Å; I1178-A1180 VanDerWaalsContact C-N 3.34Å; I1178-A1180 PolarHBondContact O-N 3.32Å; A1180-A1184 PolarHBondContact O-N 3.27Å; A1180-A1184 VanDerWaalsContact O-N 3.11Å |
| 1181 | H | 95.1 | Very high | 93.5 | Very high | 72 Ų | 72 | 67.7 Ų | 67.7 | 33% | 0.333 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.6 | -38 | 175.7 | -80.3 | -72.1 | 0 | 0 | 0 | 113.2 | F1132 L1136 K1177 I1178 C1179 A1184 L1185 | F1132-H1181 HydrophobicContact CZ-CB 4.02Å; L1136-H1181 HydrophobicContact CD1-CB 3.98Å; L1136-H1181 HydrophobicContact CD2-CB 4.21Å; K1177-H1181 PolarHBondContact O-CD2 3.23Å; K1177-H1181 PolarHBondContact O-N 3.4Å; I1178-H1181 CarbonylContact O-C 3.52Å; I1178-H1181 PolarHBondContact O-N 3.28Å; I1178-H1181 VanDerWaalsContact O-N 3.14Å; C1179-H1181 VanDerWaalsContact C-N 3.33Å; C1179-H1181 PolarHBondContact O-N 3.48Å; H1181-A1184 WeakPolarHBondContact O-CB 3.17Å; H1181-A1184 PolarHBondContact O-N 3.36Å; H1181-A1184 VanDerWaalsContact O-N 3.14Å; H1181-L1185 WeakPolarHBondContact O-CG 3.49Å; H1181-L1185 PolarHBondContact O-N 3.28Å |
| 1182 | I | 95.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.015 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 171.8 | -69.8 | 162.8 | 0 | 0 | 0 | 110.2 | L1156 L1159 I1178 C1179 A1184 L1185 K1186 | L1156-I1182 HydrophobicContact CD1-CD1 3.8Å; L1156-I1182 HydrophobicContact CD1-CG1 3.78Å; L1156-I1182 HydrophobicContact CG-CD1 4.48Å; L1156-I1182 HydrophobicContact CG-CG1 4.12Å; L1156-I1182 WeakPolarHBondContact O-CD1 3.42Å; L1159-I1182 HydrophobicContact CB-CD1 4.14Å; I1178-I1182 HydrophobicContact CG2-CD1 3.64Å; I1178-I1182 HydrophobicContact CG2-CG1 4.2Å; I1178-I1182 VanDerWaalsContact O-CG1 3.3Å; I1178-I1182 WeakPolarHBondContact O-CG1 2.86Å; I1178-I1182 PolarHBondContact O-N 3.48Å; C1179-I1182 PolarHBondContact O-N 2.86Å; I1182-A1184 PolarHBondContact O-N 2.91Å; I1182-L1185 WeakPolarHBondContact O-CA 3.03Å; I1182-L1185 WeakPolarHBondContact O-CB 3.44Å; I1182-L1185 PolarHBondContact O-N 2.75Å; I1182-K1186 HydrophobicContact CG2-CD 3.87Å; I1182-K1186 HydrophobicContact CG2-CG 4.33Å; I1182-K1186 WeakPolarHBondContact O-CG 2.92Å; I1182-K1186 PolarHBondContact O-N 2.78Å |
| 1183 | N | 94.9 | Very high | 93.2 | Very high | 93 Ų | 93 | 61.4 Ų | 61.4 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.2 | -30.9 | 175.6 | -73.2 | -39.9 | 0 | 0 | 0 | 112.5 | C1179 N1187 | C1179-N1183 WeakPolarHBondContact O-CB 3.03Å; C1179-N1183 VanDerWaalsContact O-CG 3.3Å; C1179-N1183 PolarHBondContact O-N 3.11Å; C1179-N1183 PolarHBondContact O-ND2 3.01Å; N1183-N1187 VanDerWaalsContact O-CG 3.3Å; N1183-N1187 PolarHBondContact O-ND2 3.5Å |
| 1184 | A | 93.5 | Very high | 93 | Very high | 49 Ų | 49 | 62.8 Ų | 62.8 | 41% | 0.405 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -73.4 | -26.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1180 H1181 I1182 Q1188 | A1180-A1184 PolarHBondContact O-N 3.27Å; A1180-A1184 VanDerWaalsContact O-N 3.11Å; H1181-A1184 WeakPolarHBondContact O-CB 3.17Å; H1181-A1184 PolarHBondContact O-N 3.36Å; H1181-A1184 VanDerWaalsContact O-N 3.14Å; I1182-A1184 PolarHBondContact O-N 2.91Å; A1184-Q1188 PolarHBondContact O-NE2 2.74Å |
| 1185 | L | 93.1 | Very high | 92.8 | Very high | 13 Ų | 13 | 65.6 Ų | 65.6 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -77.6 | -32.3 | 171.7 | -67 | 177.1 | 0 | 0 | 0 | 112.9 | P1121 W1124 F1132 L1156 L1157 H1181 I1182 N1187 Q1188 | P1121-L1185 HydrophobicContact CB-CB 4.22Å; P1121-L1185 HydrophobicContact CG-CB 4.21Å; P1121-L1185 HydrophobicContact CG-CD2 4.13Å; W1124-L1185 HydrophobicContact CH2-CD1 3.65Å; W1124-L1185 HydrophobicContact CH2-CD2 3.58Å; W1124-L1185 HydrophobicContact CH2-CG 4.29Å; W1124-L1185 HydrophobicContact CZ2-CD2 4.25Å; W1124-L1185 HydrophobicContact CZ3-CD1 3.58Å; W1124-L1185 HydrophobicContact CZ3-CD2 4.38Å; F1132-L1185 HydrophobicContact CD1-CD1 4.35Å; F1132-L1185 HydrophobicContact CE1-CD1 3.64Å; F1132-L1185 HydrophobicContact CE2-CD1 4.13Å; F1132-L1185 HydrophobicContact CE2-CD2 4.42Å; F1132-L1185 HydrophobicContact CZ-CD1 3.5Å; F1132-L1185 HydrophobicContact CZ-CD2 4.41Å; F1132-L1185 HydrophobicContact CZ-CG 4.05Å; L1156-L1185 HydrophobicContact CD2-CD1 4.13Å; L1157-L1185 HydrophobicContact CD2-CB 4.01Å; H1181-L1185 WeakPolarHBondContact O-CG 3.49Å; H1181-L1185 PolarHBondContact O-N 3.28Å; I1182-L1185 WeakPolarHBondContact O-CA 3.03Å; I1182-L1185 WeakPolarHBondContact O-CB 3.44Å; I1182-L1185 PolarHBondContact O-N 2.75Å; L1185-N1187 PolarHBondContact O-N 2.94Å; L1185-Q1188 PolarHBondContact O-N 2.65Å |
| 1186 | K | 90.6 | Very high | 92.5 | Very high | 109 Ų | 109 | 70.6 Ų | 70.6 | 47% | 0.474 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -5.1 | 177.8 | -67.4 | 176.7 | 76.5 | 159.2 | 0 | 114.3 | L1157 I1182 | L1157-K1186 HydrophobicContact CB-CD 4.43Å; L1157-K1186 HydrophobicContact CB-CG 4.29Å; L1157-K1186 HydrophobicContact CD2-CD 4.4Å; L1157-K1186 HydrophobicContact CD2-CG 3.52Å; L1157-K1186 HydrophobicContact CG-CG 4.45Å; L1157-K1186 WeakPolarHBondContact O-CD 3.37Å; L1157-K1186 WeakPolarHBondContact O-CE 3.39Å; L1157-K1186 PolarHBondContact O-NZ 2.72Å; I1182-K1186 HydrophobicContact CG2-CD 3.87Å; I1182-K1186 HydrophobicContact CG2-CG 4.33Å; I1182-K1186 WeakPolarHBondContact O-CG 2.92Å; I1182-K1186 PolarHBondContact O-N 2.78Å |
| 1187 | N | 83.8 | Confident | 92.1 | Very high | 141 Ų | 141 | 69.8 Ų | 69.8 | 75% | 0.754 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | 17.9 | 178.3 | -62.6 | -25.8 | 0 | 0 | 0 | 111.8 | N1183 L1185 | N1183-N1187 VanDerWaalsContact O-CG 3.3Å; N1183-N1187 PolarHBondContact O-ND2 3.5Å; L1185-N1187 PolarHBondContact O-N 2.94Å |
| 1188 | Q | 72.8 | Confident | 91.7 | Very high | 191 Ų | 191 | 67.9 Ų | 67.9 | 89% | 0.893 | 37% | 0.368 | S | S | * | . | | | trans | -114.1 | 0 | 171.1 | -79.9 | 168.7 | 83.1 | 0 | 0 | 109 | A1184 L1185 | A1184-Q1188 PolarHBondContact O-NE2 2.74Å; L1185-Q1188 PolarHBondContact O-N 2.65Å |