| 1 | M | 27.7 | Very low | 36.5 | Very low | 229 Ų | 229 | 127.1 Ų | 127.1 | 100% | 1.128 | 78% | 0.78 | S | S | * | * | | | | 0 | 157.2 | 0 | -79.9 | -71.5 | 99.1 | 0 | 0 | 108.5 | | |
| 2 | P | 47.4 | Very low | 35.8 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | | | trans | -96.6 | -158.2 | -160 | 21.7 | -0.2 | 0 | 0 | 0 | 110.4 | | |
| 3 | T | 32.9 | Very low | 35.5 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | cis | -171.6 | 129.7 | 30.8 | -37.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 4 | L | 35.2 | Very low | 35 | Very low | 157 Ų | 157 | 125.9 Ų | 125.9 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | 48.1 | -178.8 | 145 | -56.3 | 177.4 | 0 | 0 | 0 | 118.9 | | |
| 5 | V | 34.1 | Very low | 34.6 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | cis | -146.5 | 128.4 | 2.5 | 89.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 6 | V | 31.6 | Very low | 34.5 | Very low | 132 Ų | 132 | 128 Ų | 128 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | | | | 67.6 | 133.4 | 111.8 | 176.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 7 | G | 32.6 | Very low | 34.7 | Very low | 77 Ų | 77 | 127.6 Ų | 127.6 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | -179.6 | 23.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 8 | T | 32.5 | Very low | 34.4 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -90 | 171.6 | 165.9 | 30.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 9 | P | 46 | Very low | 34.7 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | | | cis | -134.7 | -149.5 | 20.5 | 44 | -22 | 0 | 0 | 0 | 111.7 | | |
| 10 | P | 50.1 | Low | 34.2 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | | | cis | -138.1 | 153.6 | -6.4 | 40.9 | -21.9 | 0 | 0 | 0 | 119.4 | | |
| 11 | T | 31.6 | Very low | 34.1 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | | | trans | 43.8 | 123.4 | 140.7 | 62.2 | 0 | 0 | 0 | 0 | 123.7 | | |
| 12 | C | 28 | Very low | 34.2 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | | -136 | 119.6 | 104.4 | -83.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 13 | L | 31.6 | Very low | 33.5 | Very low | 171 Ų | 171 | 131.8 Ų | 131.8 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | | | | 79.7 | 108.4 | 81.2 | -127.6 | 172.7 | 0 | 0 | 0 | 113.1 | | |
| 14 | G | 29.1 | Very low | 33.4 | Very low | 70 Ų | 70 | 132.2 Ų | 132.2 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | trans | 141.8 | 126.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 15 | D | 29.3 | Very low | 33.2 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | | | trans | -95.5 | 167.7 | -161.2 | -90.6 | -66.4 | 0 | 0 | 0 | 118.1 | | |
| 16 | T | 32.3 | Very low | 33.1 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | | | trans | -78.5 | -178.9 | -176.7 | 60.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 17 | P | 37.6 | Very low | 33.1 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | | | cis | -140.3 | -178 | 8.1 | 38.6 | -16.1 | 0 | 0 | 0 | 118.9 | | |
| 18 | Q | 30 | Very low | 32.8 | Very low | 173 Ų | 173 | 139 Ų | 139 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | | | trans | -66.8 | -171.9 | 162.6 | -117.6 | -171.7 | 11.3 | 0 | 0 | 112.7 | | |
| 19 | P | 39.2 | Very low | 33.6 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | | | cis | -141.5 | 175.3 | -7 | 31 | -7.1 | 0 | 0 | 0 | 118.3 | | |
| 20 | C | 25.5 | Very low | 32.8 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 72% | 0.716 | 79% | 0.786 | S | S | * | * | | | trans | 55.1 | 124.6 | 141.4 | -71.7 | 0 | 0 | 0 | 0 | 125.6 | | |
| 21 | H | 32.7 | Very low | 31.9 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | | | trans | 48.6 | 121.3 | 137.6 | -72.5 | -75.4 | 0 | 0 | 0 | 122.8 | | |
| 22 | K | 29.6 | Very low | 31.8 | Very low | 210 Ų | 210 | 142.7 Ų | 142.7 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | | | | -174.9 | 168.5 | 119.3 | -104.1 | 157.4 | -173 | 169.4 | 0 | 115 | | |
| 23 | N | 31.4 | Very low | 31.9 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | -93.6 | 142.2 | 174.7 | -64.2 | -44.9 | 0 | 0 | 0 | 112.4 | | |
| 24 | S | 30.6 | Very low | 31.9 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -166.7 | 123.1 | 139.1 | -152.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 25 | Q | 32.6 | Very low | 32.7 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | | 67.1 | 111.8 | 63.3 | -111.5 | -154.9 | 60.8 | 0 | 0 | 117.3 | | |
| 26 | R | 31.9 | Very low | 32.7 | Very low | 211 Ų | 211 | 136 Ų | 136 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | | | trans | 68.9 | 143.4 | 158.4 | -58.4 | 174.9 | 179.7 | -90.5 | -2.1 | 115.4 | | |
| 27 | Q | 30.4 | Very low | 32.6 | Very low | 192 Ų | 192 | 141.6 Ų | 141.6 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | | | cis | -142.4 | 176.6 | 40.6 | -67.5 | 167.9 | 76.8 | 0 | 0 | 113.4 | | |
| 28 | G | 27.8 | Very low | 32.2 | Very low | 69 Ų | 69 | 140.5 Ų | 140.5 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | -102 | -143.4 | 161 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 29 | P | 47.5 | Very low | 32.2 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | | | cis | -137.1 | -172.2 | -1.3 | 26.5 | -0.5 | 0 | 0 | 0 | 114.4 | | |
| 30 | F | 30.7 | Very low | 31.8 | Very low | 191 Ų | 191 | 139.3 Ų | 139.3 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | trans | 68.7 | 154.3 | 162.6 | -58.3 | -56.8 | 0 | 0 | 0 | 117.4 | | |
| 31 | S | 31.1 | Very low | 31.9 | Very low | 77 Ų | 77 | 145.4 Ų | 145.4 | 54% | 0.538 | 81% | 0.806 | S | S | . | * | | | cis | -162 | 165.6 | -14.2 | -128 | 0 | 0 | 0 | 0 | 113 | | |
| 32 | H | 29.6 | Very low | 31.9 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | | | trans | 54.2 | 139.2 | 155.6 | -54.4 | -52.5 | 0 | 0 | 0 | 121 | | |
| 33 | G | 28.6 | Very low | 31.8 | Very low | 86 Ų | 86 | 140.3 Ų | 140.3 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | | | trans | 160.9 | 59.1 | 173 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 34 | A | 31.7 | Very low | 31.7 | Very low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | -156.8 | 160.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 35 | P | 46.5 | Very low | 31.5 | Very low | 123 Ų | 123 | 138 Ų | 138 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | | | cis | -126.5 | 172.2 | 3.1 | 41.4 | -27.6 | 0 | 0 | 0 | 114.9 | | |
| 36 | G | 28.6 | Very low | 31.7 | Very low | 79 Ų | 79 | 140.8 Ų | 140.8 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | | | trans | -132.7 | 133.1 | 161 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 37 | R | 31.1 | Very low | 31.9 | Very low | 242 Ų | 242 | 136.7 Ų | 136.7 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | | | trans | -124 | 139.6 | 176.5 | -76.2 | 179.5 | 171.5 | -102.9 | 5.4 | 109.6 | | |
| 38 | A | 28.8 | Very low | 32 | Very low | 98 Ų | 98 | 139 Ų | 139 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | | 153.4 | 158.1 | 118.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 39 | A | 29.8 | Very low | 31.9 | Very low | 87 Ų | 87 | 144.1 Ų | 144.1 | 72% | 0.719 | 81% | 0.814 | S | S | * | * | | | trans | 64.1 | 101 | 152.5 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 40 | D | 30.9 | Very low | 30.9 | Very low | 160 Ų | 160 | 145.2 Ų | 145.2 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | | | | 16.7 | 130.1 | 127.2 | -56.3 | -39.3 | 0 | 0 | 0 | 121.2 | | |
| 41 | W | 28.7 | Very low | 30.7 | Very low | 235 Ų | 235 | 140.3 Ų | 140.3 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | | | | -160.8 | 171.1 | 126.6 | 54.2 | -77.3 | 0 | 0 | 0 | 112.2 | | |
| 42 | K | 31.1 | Very low | 31.5 | Very low | 198 Ų | 198 | 142.5 Ų | 142.5 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | | | trans | -111.8 | 135.7 | -174.6 | -65.5 | 177 | 179.5 | 174.4 | 0 | 113.2 | | |
| 43 | A | 29.1 | Very low | 31.4 | Very low | 81 Ų | 81 | 138 Ų | 138 | 67% | 0.669 | 83% | 0.825 | S | S | * | * | | | trans | -162.9 | 139.2 | 144.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 44 | V | 28.6 | Very low | 31.4 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | | | cis | 69 | 80.2 | 29.5 | -168 | 0 | 0 | 0 | 0 | 114.1 | | |
| 45 | A | 27.1 | Very low | 31.5 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | | | trans | 178.5 | 148.6 | 132.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 46 | K | 36.5 | Very low | 30.8 | Very low | 208 Ų | 208 | 142.4 Ų | 142.4 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | | | trans | -129.4 | 127 | 157 | -75.8 | -172.1 | 178.8 | -174.4 | 0 | 108.1 | | |
| 47 | P | 35 | Very low | 30.9 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | | | trans | -84.4 | 155 | 155.5 | 33 | -29.4 | 0 | 0 | 0 | 110.7 | | |
| 48 | R | 33.2 | Very low | 31 | Very low | 241 Ų | 241 | 140.5 Ų | 140.5 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | | | trans | -112.1 | 156.1 | 160.5 | -69.2 | 176.5 | 171 | 179 | -4.2 | 107.6 | | |
| 49 | L | 26.6 | Very low | 31 | Very low | 176 Ų | 176 | 141 Ų | 141 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | | | trans | -171.9 | 163.2 | 134.7 | -101.3 | 164.3 | 0 | 0 | 0 | 110.1 | | |
| 50 | C | 25.7 | Very low | 31 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | | | trans | -101.7 | 179.2 | 175.5 | -47.5 | 0 | 0 | 0 | 0 | 109 | | |
| 51 | A | 26.3 | Very low | 31 | Very low | 88 Ų | 88 | 142.8 Ų | 142.8 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | | | cis | -157 | -146.2 | 10.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 52 | P | 48.9 | Very low | 31 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | | | cis | -136.8 | 172.3 | -19.2 | 40.8 | -22.3 | 0 | 0 | 0 | 117.2 | | |
| 53 | A | 27.8 | Very low | 30.9 | Very low | 92 Ų | 92 | 143.1 Ų | 143.1 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | | | trans | 31.7 | 129.6 | 142.9 | 0 | 0 | 0 | 0 | 0 | 126.2 | | |
| 54 | A | 28.2 | Very low | 31.3 | Very low | 93 Ų | 93 | 144.1 Ų | 144.1 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | | | | -164.9 | 118.7 | 126.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 55 | E | 32.6 | Very low | 31.2 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | | | | 44.7 | 134.6 | 84.4 | -40 | -45.4 | 170.6 | 0 | 0 | 114.8 | | |
| 56 | D | 32.4 | Very low | 31.5 | Very low | 145 Ų | 145 | 143 Ų | 143 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | | | cis | -146.7 | 159.1 | 10.9 | -115.8 | -53.1 | 0 | 0 | 0 | 110.4 | | |
| 57 | D | 31.6 | Very low | 31.3 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | | 173.7 | 155.7 | 120.5 | -130.2 | -29.6 | 0 | 0 | 0 | 115 | | |
| 58 | V | 32.2 | Very low | 31.1 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 78% | 0.782 | 82% | 0.815 | S | S | * | * | | | trans | -90.4 | 146.5 | -164.3 | -75 | 0 | 0 | 0 | 0 | 117.6 | | |
| 59 | A | 28.4 | Very low | 31.1 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | | | | 179.4 | 146.4 | 123.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 60 | A | 31.1 | Very low | 31.5 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | trans | -112.1 | 159 | -165.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 61 | L | 31 | Very low | 31.5 | Very low | 182 Ų | 182 | 136 Ų | 136 | 95% | 0.953 | 80% | 0.8 | S | S | * | * | | | trans | -68.8 | 141.6 | 174.2 | -66.4 | 158.3 | 0 | 0 | 0 | 112.6 | | |
| 62 | R | 27.4 | Very low | 33.2 | Very low | 206 Ų | 206 | 137.4 Ų | 137.4 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | | | trans | -154.6 | 123.7 | 163.6 | 177.5 | -177.4 | -102.8 | -122.5 | 2.4 | 112.3 | | |
| 63 | W | 28.7 | Very low | 33 | Very low | 235 Ų | 235 | 137 Ų | 137 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | | | trans | -159.9 | 151.4 | 139.2 | -82.7 | 124.6 | 0 | 0 | 0 | 107.2 | | |
| 64 | P | 39 | Very low | 32.8 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 66% | 0.656 | 81% | 0.807 | S | S | * | * | | | | -125.2 | 165.4 | -114.2 | 41.4 | -32.1 | 0 | 0 | 0 | 117.3 | | |
| 65 | G | 25.3 | Very low | 32.6 | Very low | 72 Ų | 72 | 143.1 Ų | 143.1 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | 92.7 | 123.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 66 | P | 34.6 | Very low | 32.4 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | | | | -126.3 | 165.4 | 63.9 | 39.3 | -31.4 | 0 | 0 | 0 | 115.3 | | |
| 67 | S | 31.6 | Very low | 32.9 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -115.2 | 160.5 | 176.4 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 68 | Q | 31.1 | Very low | 32.7 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -63.7 | 149.4 | -175.1 | -66.7 | 165.2 | 12.9 | 0 | 0 | 112.4 | | |
| 69 | Q | 32.3 | Very low | 32.8 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | | 68 | 141.3 | 59 | -138.6 | -165.4 | -22.9 | 0 | 0 | 112.2 | | |
| 70 | P | 36.5 | Very low | 32.9 | Very low | 114 Ų | 114 | 140 Ų | 140 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | | | cis | -127.8 | -161.7 | -2.9 | 43.6 | -26 | 0 | 0 | 0 | 115 | | |
| 71 | D | 26 | Very low | 32.7 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | | | trans | -85.4 | -177.4 | 176.8 | -43 | -92.4 | 0 | 0 | 0 | 115.5 | | |
| 72 | P | 60.8 | Low | 32.5 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | cis | -115.2 | -99.3 | -24.9 | 26.2 | -3.6 | 0 | 0 | 0 | 112.3 | | |
| 73 | P | 43.9 | Very low | 32.5 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | cis | -125.1 | -145.1 | -7.5 | 44.6 | -25.3 | 0 | 0 | 0 | 114.9 | | |
| 74 | W | 24 | Very low | 32.6 | Very low | 242 Ų | 242 | 126.8 Ų | 126.8 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | | | trans | -72.9 | 173 | 176.1 | -97.4 | -122.2 | 0 | 0 | 0 | 114.8 | | |
| 75 | A | 24.4 | Very low | 32.1 | Very low | 73 Ų | 73 | 128.5 Ų | 128.5 | 60% | 0.603 | 77% | 0.766 | S | S | * | * | | | cis | 171.8 | 135.7 | -35.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 76 | A | 28.4 | Very low | 32.2 | Very low | 98 Ų | 98 | 134 Ų | 134 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | trans | 61.2 | -172.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 77 | P | 43 | Very low | 32.4 | Very low | 92 Ų | 92 | 136 Ų | 136 | 60% | 0.597 | 77% | 0.767 | S | S | * | * | | | cis | -134.9 | -176 | -8.3 | 23 | 3.2 | 0 | 0 | 0 | 115.6 | | |
| 78 | H | 28.2 | Very low | 32.5 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | | | trans | 77.7 | 148.7 | 157.8 | -55.9 | -49.1 | 0 | 0 | 0 | 120.1 | | |
| 79 | V | 32.7 | Very low | 32.2 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | | | cis | -168 | 156.7 | -29.7 | 90.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 80 | V | 31 | Very low | 32.6 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | | | trans | 62.7 | 142.2 | 167 | 164.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 81 | G | 27.6 | Very low | 32 | Very low | 68 Ų | 68 | 134.9 Ų | 134.9 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | cis | -162.7 | 169.2 | -7.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 82 | S | 27.2 | Very low | 32.1 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | cis | -149.8 | 129.3 | 29.8 | 164.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 83 | D | 27.6 | Very low | 30.5 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | | | | 31.9 | 134.1 | 117.3 | -44.6 | -7.4 | 0 | 0 | 0 | 118.8 | | |
| 84 | D | 29.3 | Very low | 29.5 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | cis | -163.7 | 168.6 | -13.9 | -150.7 | -6.1 | 0 | 0 | 0 | 113 | | |
| 85 | L | 28.9 | Very low | 29.8 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | | | trans | 29.5 | 113.3 | 151.8 | -80.2 | 162.7 | 0 | 0 | 0 | 119.9 | | |
| 86 | K | 27.4 | Very low | 29.9 | Very low | 188 Ų | 188 | 129.1 Ų | 129.1 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | | | | 161.2 | 167.7 | 89.2 | -154.9 | 150.9 | -174.8 | 169.1 | 0 | 112.6 | | |
| 87 | E | 39.1 | Very low | 30.1 | Very low | 178 Ų | 178 | 131.9 Ų | 131.9 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | | | trans | -60.9 | 151.5 | -178 | -58.1 | -177.4 | 140.7 | 0 | 0 | 115 | | |
| 88 | P | 33.1 | Very low | 30 | Very low | 128 Ų | 128 | 132 Ų | 132 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | | | | -115.8 | 144.3 | 118.3 | 34.6 | -31.8 | 0 | 0 | 0 | 110.2 | | |
| 89 | G | 24.3 | Very low | 29.7 | Very low | 61 Ų | 61 | 131.3 Ų | 131.3 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | | | cis | 122.8 | 139.6 | 19.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 90 | P | 41.5 | Very low | 29.3 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | | | trans | -92.4 | 149.4 | -169.7 | 35.3 | -35.5 | 0 | 0 | 0 | 113.8 | | |
| 91 | W | 23.5 | Very low | 29.7 | Very low | 257 Ų | 257 | 135.3 Ų | 135.3 | 97% | 0.973 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -107.5 | 110.3 | 144.1 | -75.9 | 25.3 | 0 | 0 | 0 | 105.5 | | |
| 92 | G | 27.8 | Very low | 29.7 | Very low | 68 Ų | 68 | 138.8 Ų | 138.8 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | cis | -105.1 | 126.9 | 47 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 93 | K | 27.1 | Very low | 29.6 | Very low | 198 Ų | 198 | 136.8 Ų | 136.8 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | | | | -137.6 | 156.5 | 125.2 | -93.8 | 176.4 | 179.7 | 177 | 0 | 106.7 | | |
| 94 | A | 24.4 | Very low | 30.2 | Very low | 83 Ų | 83 | 135.8 Ų | 135.8 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | | | cis | -125.9 | 146.4 | 7.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 95 | C | 29.9 | Very low | 30.3 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | | | trans | -83.3 | 111.2 | 151.7 | -60.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 96 | S | 26.8 | Very low | 30.5 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | trans | -144.6 | 109.5 | 156.1 | -68 | 0 | 0 | 0 | 0 | 105.7 | | |
| 97 | L | 32.3 | Very low | 30.8 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | | | | 61.9 | 136.7 | 64.9 | -65.2 | 164.5 | 0 | 0 | 0 | 112.5 | | |
| 98 | P | 40.7 | Very low | 30.4 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 62% | 0.623 | 76% | 0.761 | S | S | * | * | | | cis | -140.7 | -169 | -12.6 | 32.2 | -8.5 | 0 | 0 | 0 | 114.4 | | |
| 99 | M | 22 | Very low | 30.3 | Very low | 156 Ų | 156 | 128.8 Ų | 128.8 | 77% | 0.768 | 75% | 0.745 | S | S | * | * | | | trans | 85.4 | 125.6 | 154.5 | -61.6 | -171.1 | -65.6 | 0 | 0 | 121.4 | | |
| 100 | W | 24.5 | Very low | 30.3 | Very low | 244 Ų | 244 | 133.3 Ų | 133.3 | 92% | 0.924 | 76% | 0.755 | S | S | * | * | | | trans | 51 | 139.2 | 133.6 | -66.1 | 74.5 | 0 | 0 | 0 | 121.9 | | |
| 101 | S | 38.4 | Very low | 29.7 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | trans | -81.9 | 144 | 177.1 | 52.4 | 0 | 0 | 0 | 0 | 114 | | |
| 102 | T | 28.1 | Very low | 29.9 | Very low | 142 Ų | 142 | 125.5 Ų | 125.5 | 87% | 0.871 | 74% | 0.742 | S | S | * | * | | | trans | -139.5 | 146.3 | 153.1 | -37.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 103 | G | 25.8 | Very low | 30.3 | Very low | 62 Ų | 62 | 128.6 Ų | 128.6 | 64% | 0.639 | 75% | 0.747 | S | S | * | * | | | trans | -71.4 | -171.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 104 | P | 38.6 | Very low | 30.5 | Very low | 119 Ų | 119 | 124.4 Ų | 124.4 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | | | | -142.3 | -173.4 | 64.7 | 40.1 | -23.5 | 0 | 0 | 0 | 115.6 | | |
| 105 | E | 31.9 | Very low | 30.7 | Very low | 156 Ų | 156 | 125.1 Ų | 125.1 | 73% | 0.729 | 74% | 0.743 | S | S | * | * | | | trans | -21.6 | 156.9 | 154.6 | -91.1 | 73.6 | -177.9 | 0 | 0 | 117.3 | | |
| 106 | A | 32.7 | Very low | 30.7 | Very low | 82 Ų | 82 | 122.6 Ų | 122.6 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | | | cis | -148.8 | 148.5 | 26.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 107 | R | 33.4 | Very low | 30.8 | Very low | 203 Ų | 203 | 128.2 Ų | 128.2 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | | | | 64.7 | 133.6 | 91.9 | -61.5 | -74.3 | -179.9 | 173.7 | -0.6 | 114.6 | | |
| 108 | D | 31.9 | Very low | 30.6 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | | | cis | -162.2 | 171.4 | -11.3 | -143.8 | -31 | 0 | 0 | 0 | 109.9 | | |
| 109 | G | 30.1 | Very low | 30.1 | Very low | 49 Ų | 49 | 128.9 Ų | 128.9 | 51% | 0.505 | 75% | 0.75 | S | S | . | * | | | trans | 82.6 | 115.5 | 156 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 110 | D | 25.6 | Very low | 30.2 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | | | | 63.1 | 152.3 | 124.6 | -73.7 | -44.7 | 0 | 0 | 0 | 122.1 | | |
| 111 | S | 28 | Very low | 30.6 | Very low | 93 Ų | 93 | 120.9 Ų | 120.9 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | | | cis | -170.7 | -177.5 | -26.4 | -116.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 112 | S | 29.1 | Very low | 30.4 | Very low | 109 Ų | 109 | 121.7 Ų | 121.7 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | trans | 66 | 104.2 | 152.1 | -64.5 | 0 | 0 | 0 | 0 | 120 | | |
| 113 | V | 35.4 | Very low | 30.6 | Very low | 134 Ų | 134 | 118.6 Ų | 118.6 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | | | | -15.4 | 130.2 | 128.8 | -174.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 114 | S | 31.4 | Very low | 30.8 | Very low | 110 Ų | 110 | 118.9 Ų | 118.9 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | trans | -136.1 | 126.8 | 151.3 | -152.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 115 | S | 28.8 | Very low | 30.4 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | cis | 73.3 | 130.2 | 43.1 | -57.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 116 | G | 28.6 | Very low | 30.5 | Very low | 71 Ų | 71 | 122 Ų | 122 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | | | trans | 92.2 | 96.2 | -161.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 117 | R | 30.6 | Very low | 30.3 | Very low | 221 Ų | 221 | 124.6 Ų | 124.6 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | | | cis | 66.8 | 126.6 | 25.4 | -154.9 | -162.7 | -121 | -85.9 | 3.9 | 112.5 | | |
| 118 | L | 26.9 | Very low | 30.4 | Very low | 152 Ų | 152 | 120.6 Ų | 120.6 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | | | trans | 71.4 | 152.1 | -179 | -40.8 | 179.6 | 0 | 0 | 0 | 113 | | |
| 119 | S | 29.4 | Very low | 30.2 | Very low | 112 Ų | 112 | 120.5 Ų | 120.5 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | | | cis | -145.8 | 170.9 | -3 | -149 | 0 | 0 | 0 | 0 | 112.4 | | |
| 120 | C | 25.9 | Very low | 30.1 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | | | trans | -74.9 | 130.6 | 175.9 | -54.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 121 | S | 32.4 | Very low | 30.2 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | trans | -163.3 | 128.2 | 147.5 | -90.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 122 | S | 33.5 | Very low | 30.3 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | | 75.5 | 117 | 69.6 | -165.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 123 | G | 32.6 | Very low | 30.3 | Very low | 78 Ų | 78 | 134.5 Ų | 134.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | 148 | 55.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 124 | G | 29.3 | Very low | 30.2 | Very low | 67 Ų | 67 | 137.8 Ų | 137.8 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | | | trans | -81.4 | 137.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 125 | H | 30.7 | Very low | 30.6 | Very low | 192 Ų | 192 | 138.1 Ų | 138.1 | 89% | 0.889 | 79% | 0.79 | S | S | * | * | | | | -178.1 | 148.9 | 123.2 | -103.1 | -76.9 | 0 | 0 | 0 | 110.7 | | |
| 126 | D | 34.6 | Very low | 31.3 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | -65.7 | 157.2 | 169.2 | -58.5 | -90.7 | 0 | 0 | 0 | 112.3 | | |
| 127 | V | 28.6 | Very low | 31.4 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | | -169 | 146.6 | 109.2 | 144.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 128 | C | 34.7 | Very low | 31.5 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -103.8 | 125.9 | -177.1 | 175.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 129 | V | 28.6 | Very low | 31.8 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | -160.4 | 149.1 | 163 | -91.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 130 | S | 27.3 | Very low | 32.1 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | | | cis | -165.6 | 135 | -26.8 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 131 | W | 26.9 | Very low | 32.6 | Very low | 248 Ų | 248 | 136 Ų | 136 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | | | trans | 42.9 | 114.1 | 135.1 | -58.3 | 39.2 | 0 | 0 | 0 | 119.5 | | |
| 132 | K | 30 | Very low | 32.7 | Very low | 220 Ų | 220 | 137.9 Ų | 137.9 | 96% | 0.957 | 78% | 0.777 | S | S | * | * | | | trans | -150.2 | 162.3 | 140.3 | -124.2 | 175 | -175.3 | 178.9 | 0 | 111.9 | | |
| 133 | E | 30.4 | Very low | 32.9 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | | | trans | -130.8 | 124.2 | -150.2 | 166.2 | 164.9 | -151.9 | 0 | 0 | 114.8 | | |
| 134 | R | 33.3 | Very low | 33.2 | Very low | 203 Ų | 203 | 147.6 Ų | 147.6 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | 64.6 | 176.7 | 149.9 | -89.2 | 178 | 179.6 | 142.5 | -6.7 | 118.3 | | |
| 135 | P | 40.1 | Very low | 34 | Very low | 117 Ų | 117 | 149.7 Ų | 149.7 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | | | cis | -123.4 | -155.6 | 16.1 | 51.3 | -35.3 | 0 | 0 | 0 | 113.4 | | |
| 136 | P | 42.5 | Very low | 35.1 | Very low | 97 Ų | 97 | 151.7 Ų | 151.7 | 63% | 0.63 | 78% | 0.78 | S | S | * | * | | | | -133.3 | -171.9 | -123.4 | 33.4 | -7.1 | 0 | 0 | 0 | 115.9 | | |
| 137 | Q | 31.7 | Very low | 36.1 | Very low | 161 Ų | 161 | 155 Ų | 155 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | 71.4 | 105.4 | 163.1 | -52.7 | 176.5 | 24.8 | 0 | 0 | 118.7 | | |
| 138 | V | 32.1 | Very low | 37.9 | Very low | 147 Ų | 147 | 151 Ų | 151 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | | | | -130.6 | 128.9 | 114.6 | 178.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 139 | L | 34.1 | Very low | 39.8 | Very low | 132 Ų | 132 | 151.1 Ų | 151.1 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | | | trans | -86.7 | 128.5 | 173.8 | -83.8 | 77.3 | 0 | 0 | 0 | 110.1 | | |
| 140 | G | 35.6 | Very low | 42.2 | Very low | 61 Ų | 61 | 149.2 Ų | 149.2 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | | | trans | -64.9 | 155 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q142 | G140-Q142 PolarHBondContact O-N 3.37Å; G140-Q142 VanDerWaalsContact O-N 3.09Å |
| 141 | P | 36.5 | Very low | 44.6 | Very low | 131 Ų | 131 | 155 Ų | 155 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | | | trans | -57.6 | 115 | -169.8 | -28.1 | 36.3 | 0 | 0 | 0 | 114.3 | Q143 | P141-Q143 PolarHBondContact O-N 3.29Å; P141-Q143 VanDerWaalsContact O-N 3.12Å |
| 142 | Q | 32.8 | Very low | 47.4 | Very low | 151 Ų | 151 | 146.6 Ų | 146.6 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | trans | -63.7 | 110.9 | 173.2 | -177.3 | -169.4 | 90.6 | 0 | 0 | 109.7 | G140 R144 | G140-Q142 PolarHBondContact O-N 3.37Å; G140-Q142 VanDerWaalsContact O-N 3.09Å; Q142-R144 PolarHBondContact O-N 3.33Å |
| 143 | Q | 39.3 | Very low | 50.3 | Low | 186 Ų | 186 | 138.5 Ų | 138.5 | 87% | 0.869 | 70% | 0.702 | S | S | * | * | | | trans | -62.8 | 112.6 | 167.2 | -72.1 | -162.4 | 15.5 | 0 | 0 | 108.8 | P141 P145 | P141-Q143 PolarHBondContact O-N 3.29Å; P141-Q143 VanDerWaalsContact O-N 3.12Å; Q143-P145 WeakPolarHBondContact O-CD 3.45Å |
| 144 | R | 38.2 | Very low | 52.9 | Low | 221 Ų | 221 | 137.7 Ų | 137.7 | 83% | 0.834 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 125 | 177.8 | -71.7 | -179.7 | 173.8 | 175.9 | -2.4 | 109.7 | Q142 R146 | Q142-R144 PolarHBondContact O-N 3.33Å; R144-R146 PolarHBondContact O-N 3.49Å |
| 145 | P | 45.4 | Very low | 55.6 | Low | 111 Ų | 111 | 132.6 Ų | 132.6 | 72% | 0.721 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 125.7 | 166.4 | -24 | 34.2 | 0 | 0 | 0 | 109.1 | Q143 K147 | Q143-P145 WeakPolarHBondContact O-CD 3.45Å; P145-K147 PolarHBondContact O-N 3.17Å |
| 146 | R | 54 | Low | 58 | Low | 234 Ų | 234 | 132.2 Ų | 132.2 | 88% | 0.883 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 134 | 167.4 | -72.8 | -176.4 | 174.7 | -174.2 | -2.3 | 107.5 | R144 S148 | R144-R146 PolarHBondContact O-N 3.49Å; R146-S148 PolarHBondContact O-N 3.15Å |
| 147 | K | 55.4 | Low | 60.3 | Low | 216 Ų | 216 | 131.4 Ų | 131.4 | 94% | 0.939 | 66% | 0.66 | S | S | * | * | | | trans | -46.2 | 107 | 176.7 | -62.9 | 178.7 | 180 | -178.9 | 0 | 109.1 | P145 | P145-K147 PolarHBondContact O-N 3.17Š|
| 148 | S | 66.3 | Low | 63.1 | Low | 56 Ų | 56 | 130.8 Ų | 130.8 | 39% | 0.392 | 66% | 0.655 | S | S | . | * | | | trans | -89.4 | 147.4 | 175.3 | 48.8 | 0 | 0 | 0 | 0 | 109.7 | R146 A150 E153 | R146-S148 PolarHBondContact O-N 3.15Å; S148-A150 PolarHBondContact O-N 2.98Å; S148-E153 WeakPolarHBondContact CB-OE2 3.41Å; S148-E153 PolarHBondContact OG-OE2 2.92Å |
| 149 | D | 75.4 | Confident | 65.9 | Low | 121 Ų | 121 | 128.4 Ų | 128.4 | 65% | 0.647 | 64% | 0.636 | S | S | * | * | | | trans | -60.6 | 131.9 | 177.9 | -58.6 | -61 | 0 | 0 | 0 | 110 | R151 L152 E153 | D149-R151 PolarHBondContact O-N 3.29Å; D149-L152 HydrophobicContact CB-CB 4.2Å; D149-L152 WeakPolarHBondContact O-CA 3.44Å; D149-L152 WeakPolarHBondContact O-CB 3.41Å; D149-L152 PolarHBondContact O-N 3.26Å; D149-E153 PolarHBondContact O-N 3.38Å; D149-E153 VanDerWaalsContact O-N 3.08Å |
| 150 | A | 79.1 | Confident | 68.6 | Low | 86 Ų | 86 | 128.1 Ų | 128.1 | 71% | 0.711 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -54.2 | -31.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S148 Q154 | S148-A150 PolarHBondContact O-N 2.98Å; A150-Q154 VanDerWaalsContact O-CB 3.26Å; A150-Q154 WeakPolarHBondContact O-CB 3.38Å; A150-Q154 PolarHBondContact O-N 3.27Å |
| 151 | R | 77.3 | Confident | 70.6 | Confident | 212 Ų | 212 | 127.8 Ų | 127.8 | 80% | 0.8 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.6 | -32.6 | 174.4 | -169.2 | -179.3 | -177 | -160.3 | 2.1 | 113.5 | D149 L155 | D149-R151 PolarHBondContact O-N 3.29Å; R151-L155 WeakPolarHBondContact O-CB 3.48Å; R151-L155 PolarHBondContact O-N 3.15Å; R151-L155 VanDerWaalsContact O-N 3.13Å |
| 152 | L | 86.1 | Confident | 72.6 | Confident | 71 Ų | 71 | 128.1 Ų | 128.1 | 37% | 0.372 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -73.8 | -40.9 | 175.4 | -179.7 | 63.2 | 0 | 0 | 0 | 110.7 | D149 L155 R156 | D149-L152 HydrophobicContact CB-CB 4.2Å; D149-L152 WeakPolarHBondContact O-CA 3.44Å; D149-L152 WeakPolarHBondContact O-CB 3.41Å; D149-L152 PolarHBondContact O-N 3.26Å; L152-L155 PolarHBondContact O-N 2.84Å; L152-R156 WeakPolarHBondContact O-CG 3.46Å; L152-R156 PolarHBondContact O-N 2.99Å |
| 153 | E | 90.4 | Very high | 74.5 | Confident | 49 Ų | 49 | 123.9 Ų | 123.9 | 23% | 0.229 | 60% | 0.598 | C | S | . | * | H | α-helix | trans | -69 | -43.1 | 176.3 | -130.6 | 57.6 | -129.6 | 0 | 0 | 111.4 | S148 D149 L155 R156 D157 | S148-E153 WeakPolarHBondContact CB-OE2 3.41Å; S148-E153 PolarHBondContact OG-OE2 2.92Å; D149-E153 PolarHBondContact O-N 3.38Å; D149-E153 VanDerWaalsContact O-N 3.08Å; E153-L155 PolarHBondContact O-N 2.93Å; E153-R156 CarbonylContact O-C 3.53Å; E153-R156 WeakPolarHBondContact O-CA 3.41Å; E153-R156 WeakPolarHBondContact O-CB 3.23Å; E153-R156 PolarHBondContact O-N 3.24Å; E153-R156 WeakPolarHBondContact OE1-CD 3.39Å; E153-R156 IonicContact OE1-CZ 2.85Å; E153-R156 IonicContact OE1-NE 3.2Å; E153-R156 IonicContact OE1-NH1 2.88Å; E153-R156 PolarHBondContact OE1-NH1 3.41Å; E153-R156 IonicContact OE2-CZ 2.67Å; E153-R156 IonicContact OE2-NH1 2.68Å; E153-R156 PolarHBondContact OE2-NH1 3.05Å; E153-D157 PolarHBondContact O-N 3.28Å |
| 154 | Q | 85.3 | Confident | 75.7 | Confident | 129 Ų | 129 | 124.5 Ų | 124.5 | 60% | 0.603 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -58.1 | -34.3 | 171.6 | -169.6 | -173.9 | 33.7 | 0 | 0 | 112.9 | A150 K158 | A150-Q154 VanDerWaalsContact O-CB 3.26Å; A150-Q154 WeakPolarHBondContact O-CB 3.38Å; A150-Q154 PolarHBondContact O-N 3.27Å; Q154-K158 PolarHBondContact O-N 2.88Å |
| 155 | L | 89.8 | Confident | 76.5 | Confident | 96 Ų | 96 | 120.8 Ų | 120.8 | 50% | 0.503 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.5 | -41.3 | 172.9 | 178.8 | 60.7 | 0 | 0 | 0 | 111.6 | R151 L152 E153 D157 K158 I159 | R151-L155 WeakPolarHBondContact O-CB 3.48Å; R151-L155 PolarHBondContact O-N 3.15Å; R151-L155 VanDerWaalsContact O-N 3.13Å; L152-L155 PolarHBondContact O-N 2.84Å; E153-L155 PolarHBondContact O-N 2.93Å; L155-D157 VanDerWaalsContact C-N 3.34Å; L155-K158 PolarHBondContact O-N 3.41Å; L155-I159 HydrophobicContact CD1-CD1 4.38Å; L155-I159 HydrophobicContact CG-CD1 4.15Å; L155-I159 VanDerWaalsContact O-CG1 3.31Å; L155-I159 WeakPolarHBondContact O-CG1 3.25Å; L155-I159 PolarHBondContact O-N 3.41Å |
| 156 | R | 91.4 | Very high | 77 | Confident | 108 Ų | 108 | 122.9 Ų | 122.9 | 41% | 0.408 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.4 | -38.6 | 173.9 | -70 | 163.7 | 172.9 | -176.5 | -0.4 | 111.7 | L152 E153 I159 R160 | L152-R156 WeakPolarHBondContact O-CG 3.46Å; L152-R156 PolarHBondContact O-N 2.99Å; E153-R156 CarbonylContact O-C 3.53Å; E153-R156 WeakPolarHBondContact O-CA 3.41Å; E153-R156 WeakPolarHBondContact O-CB 3.23Å; E153-R156 PolarHBondContact O-N 3.24Å; E153-R156 WeakPolarHBondContact OE1-CD 3.39Å; E153-R156 IonicContact OE1-CZ 2.85Å; E153-R156 IonicContact OE1-NE 3.2Å; E153-R156 IonicContact OE1-NH1 2.88Å; E153-R156 PolarHBondContact OE1-NH1 3.41Å; E153-R156 IonicContact OE2-CZ 2.67Å; E153-R156 IonicContact OE2-NH1 2.68Å; E153-R156 PolarHBondContact OE2-NH1 3.05Å; R156-I159 PolarHBondContact O-N 3.07Å; R156-R160 WeakPolarHBondContact O-CG 3.4Å; R156-R160 PolarHBondContact O-N 3.16Å |
| 157 | D | 90.4 | Very high | 76.9 | Confident | 81 Ų | 81 | 114 Ų | 114 | 43% | 0.433 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.1 | -38.9 | 173.8 | -76.7 | -52.3 | 0 | 0 | 0 | 112.8 | E153 L155 I159 R160 A161 | E153-D157 PolarHBondContact O-N 3.28Å; L155-D157 VanDerWaalsContact C-N 3.34Å; D157-I159 VanDerWaalsContact C-N 3.32Å; D157-I159 PolarHBondContact O-N 3.09Å; D157-R160 PolarHBondContact O-N 3.16Å; D157-R160 IonicContact OD1-CZ 3.7Å; D157-R160 IonicContact OD1-NE 2.85Å; D157-R160 PolarHBondContact OD1-NE 3.09Å; D157-R160 IonicContact OD1-NH2 3.77Å; D157-R160 PolarHBondContact OD1-NH2 3.26Å; D157-R160 IonicContact OD2-NH2 3.71Å; D157-R160 PolarHBondContact OD2-NH2 2.97Å; D157-A161 WeakPolarHBondContact O-CB 3.49Å; D157-A161 PolarHBondContact O-N 2.97Å |
| 158 | K | 90.9 | Very high | 76.5 | Confident | 148 Ų | 148 | 108.1 Ų | 108.1 | 64% | 0.643 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.9 | -41.6 | 168.8 | -87 | -171.2 | 169.1 | -175.6 | 0 | 112.3 | Q154 L155 A161 Q162 | Q154-K158 PolarHBondContact O-N 2.88Å; L155-K158 PolarHBondContact O-N 3.41Å; K158-A161 PolarHBondContact O-N 3.28Å; K158-Q162 VanDerWaalsContact O-CB 3.22Å; K158-Q162 WeakPolarHBondContact O-CB 3.34Å; K158-Q162 PolarHBondContact O-N 2.84Å |
| 159 | I | 90.3 | Very high | 75.4 | Confident | 97 Ų | 97 | 110.9 Ų | 110.9 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66 | -42.5 | 176.4 | -67.7 | 162.8 | 0 | 0 | 0 | 110.9 | L155 R156 D157 Q162 A163 | L155-I159 HydrophobicContact CD1-CD1 4.38Å; L155-I159 HydrophobicContact CG-CD1 4.15Å; L155-I159 VanDerWaalsContact O-CG1 3.31Å; L155-I159 WeakPolarHBondContact O-CG1 3.25Å; L155-I159 PolarHBondContact O-N 3.41Å; R156-I159 PolarHBondContact O-N 3.07Å; D157-I159 VanDerWaalsContact C-N 3.32Å; D157-I159 PolarHBondContact O-N 3.09Å; I159-Q162 PolarHBondContact O-N 3.24Å; I159-A163 WeakPolarHBondContact O-CB 3.12Å; I159-A163 PolarHBondContact O-N 2.98Å |
| 160 | R | 90.9 | Very high | 73.8 | Confident | 126 Ų | 126 | 109.1 Ų | 109.1 | 48% | 0.475 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.2 | -49.6 | 173.9 | -75.1 | -175.1 | -81.4 | -104.1 | 8.8 | 111.5 | R156 D157 A163 W164 | R156-R160 WeakPolarHBondContact O-CG 3.4Å; R156-R160 PolarHBondContact O-N 3.16Å; D157-R160 PolarHBondContact O-N 3.16Å; D157-R160 IonicContact OD1-CZ 3.7Å; D157-R160 IonicContact OD1-NE 2.85Å; D157-R160 PolarHBondContact OD1-NE 3.09Å; D157-R160 IonicContact OD1-NH2 3.77Å; D157-R160 PolarHBondContact OD1-NH2 3.26Å; D157-R160 IonicContact OD2-NH2 3.71Å; D157-R160 PolarHBondContact OD2-NH2 2.97Å; R160-A163 PolarHBondContact O-N 2.83Å; R160-W164 WeakPolarHBondContact O-CB 3.43Å; R160-W164 PolarHBondContact O-N 2.96Å |
| 161 | A | 77.4 | Confident | 72.2 | Confident | 54 Ų | 54 | 110.2 Ų | 110.2 | 45% | 0.446 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.3 | -40.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D157 K158 W164 Q165 | D157-A161 WeakPolarHBondContact O-CB 3.49Å; D157-A161 PolarHBondContact O-N 2.97Å; K158-A161 PolarHBondContact O-N 3.28Å; A161-W164 PolarHBondContact O-N 2.99Å; A161-Q165 PolarHBondContact O-N 3.16Å |
| 162 | Q | 78.9 | Confident | 70.2 | Confident | 137 Ų | 137 | 108.3 Ų | 108.3 | 64% | 0.64 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.6 | -37.6 | 177.6 | -169.3 | 171.7 | 12 | 0 | 0 | 112 | K158 I159 Q166 | K158-Q162 VanDerWaalsContact O-CB 3.22Å; K158-Q162 WeakPolarHBondContact O-CB 3.34Å; K158-Q162 PolarHBondContact O-N 2.84Å; I159-Q162 PolarHBondContact O-N 3.24Å; Q162-Q166 WeakPolarHBondContact O-CG 3.32Å; Q162-Q166 PolarHBondContact O-N 2.89Å; Q162-Q166 VanDerWaalsContact O-N 3.07Å |
| 163 | A | 71.4 | Confident | 67.7 | Low | 62 Ų | 62 | 108.4 Ų | 108.4 | 51% | 0.512 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.8 | -39.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | I159 R160 Q166 G167 | I159-A163 WeakPolarHBondContact O-CB 3.12Å; I159-A163 PolarHBondContact O-N 2.98Å; R160-A163 PolarHBondContact O-N 2.83Å; A163-Q166 PolarHBondContact O-N 3.25Å; A163-G167 PolarHBondContact O-N 3.35Å |
| 164 | W | 65 | Low | 65.1 | Low | 200 Ų | 200 | 113.3 Ų | 113.3 | 76% | 0.758 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.1 | -42.5 | 176.6 | -166.8 | 74.1 | 0 | 0 | 0 | 112.2 | R160 A161 Q166 G167 S168 | R160-W164 WeakPolarHBondContact O-CB 3.43Å; R160-W164 PolarHBondContact O-N 2.96Å; A161-W164 PolarHBondContact O-N 2.99Å; W164-Q166 VanDerWaalsContact C-N 3.34Å; W164-Q166 PolarHBondContact O-N 3.46Å; W164-G167 PolarHBondContact O-N 3.29Å; W164-S168 PolarHBondContact O-N 3.07Å |
| 165 | Q | 56 | Low | 62.4 | Low | 142 Ų | 142 | 112.6 Ų | 112.6 | 66% | 0.664 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.8 | -32.2 | 173.9 | -74.9 | -169.6 | -19.3 | 0 | 0 | 113.2 | A161 | A161-Q165 PolarHBondContact O-N 3.16Å |
| 166 | Q | 55.7 | Low | 60 | Low | 156 Ų | 156 | 112.8 Ų | 112.8 | 73% | 0.729 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69.7 | -39.5 | 170.7 | -70.9 | -115.2 | -76.2 | 0 | 0 | 112.3 | Q162 A163 W164 S168 C169 | Q162-Q166 WeakPolarHBondContact O-CG 3.32Å; Q162-Q166 PolarHBondContact O-N 2.89Å; Q162-Q166 VanDerWaalsContact O-N 3.07Å; A163-Q166 PolarHBondContact O-N 3.25Å; W164-Q166 VanDerWaalsContact C-N 3.34Å; W164-Q166 PolarHBondContact O-N 3.46Å; Q166-S168 VanDerWaalsContact C-N 3.29Å; Q166-S168 PolarHBondContact O-N 2.69Å; Q166-C169 PolarHBondContact O-N 2.96Å |
| 167 | G | 52.1 | Low | 57.2 | Low | 47 Ų | 47 | 113.5 Ų | 113.5 | 49% | 0.485 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -62.3 | -34.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A163 W164 C169 A170 | A163-G167 PolarHBondContact O-N 3.35Å; W164-G167 PolarHBondContact O-N 3.29Å; G167-C169 PolarHBondContact O-N 2.99Å; G167-C169 VanDerWaalsContact O-N 3.15Å; G167-A170 WeakPolarHBondContact O-CB 3.45Å; G167-A170 PolarHBondContact O-N 2.81Å; G167-A170 VanDerWaalsContact O-N 3.17Å |
| 168 | S | 47.2 | Very low | 54 | Low | 93 Ų | 93 | 115.5 Ų | 115.5 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -14.7 | 179 | -154.4 | 0 | 0 | 0 | 0 | 114.4 | W164 Q166 | W164-S168 PolarHBondContact O-N 3.07Å; Q166-S168 VanDerWaalsContact C-N 3.29Å; Q166-S168 PolarHBondContact O-N 2.69Å |
| 169 | C | 41.7 | Very low | 51.2 | Low | 114 Ų | 114 | 114.1 Ų | 114.1 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 4.9 | 177.3 | -63 | 0 | 0 | 0 | 0 | 114.1 | Q166 G167 | Q166-C169 PolarHBondContact O-N 2.96Å; G167-C169 PolarHBondContact O-N 2.99Å; G167-C169 VanDerWaalsContact O-N 3.15Å |
| 170 | A | 43 | Very low | 48.1 | Very low | 83 Ų | 83 | 114.3 Ų | 114.3 | 69% | 0.686 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -92.8 | 4 | -174 | 0 | 0 | 0 | 0 | 0 | 115.1 | G167 | G167-A170 WeakPolarHBondContact O-CB 3.45Å; G167-A170 PolarHBondContact O-N 2.81Å; G167-A170 VanDerWaalsContact O-N 3.17Å |
| 171 | S | 45.5 | Very low | 45.1 | Very low | 109 Ų | 109 | 112.7 Ų | 112.7 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | | | trans | -124.2 | 47.8 | -171.7 | -62.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 172 | L | 35.6 | Very low | 42.7 | Very low | 173 Ų | 173 | 120.8 Ų | 120.8 | 91% | 0.906 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -138 | 101 | 160 | -80.6 | -176.8 | 0 | 0 | 0 | 112.2 | | |
| 173 | G | 33.3 | Very low | 40.4 | Very low | 72 Ų | 72 | 121.3 Ų | 121.3 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | | | trans | 46.4 | 106.3 | 143.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | S175 | G173-S175 PolarHBondContact O-N 3.07Š|
| 174 | T | 35.4 | Very low | 38.3 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | | | trans | -70.7 | 105.3 | 145.3 | 47.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 175 | S | 29.4 | Very low | 36.6 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | trans | -152 | 147.7 | 157.4 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | G173 | G173-S175 PolarHBondContact O-N 3.07Š|
| 176 | A | 39.1 | Very low | 35.2 | Very low | 100 Ų | 100 | 122.9 Ų | 122.9 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | | | trans | -122.8 | 128 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 177 | P | 31.8 | Very low | 33.9 | Very low | 124 Ų | 124 | 120.6 Ų | 120.6 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -102 | 146.9 | 167.4 | 34.9 | -28.7 | 0 | 0 | 0 | 111.7 | | |
| 178 | S | 23.8 | Very low | 32.7 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -88 | 170.9 | 163.9 | -163.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 179 | S | 31 | Very low | 32 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 136.3 | -166.9 | -48.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 180 | A | 26.4 | Very low | 31.3 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | trans | -158.2 | 143.8 | 146.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 181 | S | 27 | Very low | 30.6 | Very low | 92 Ų | 92 | 131 Ų | 131 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | | | trans | -52.4 | 169.6 | -176.7 | 63.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 182 | R | 27.6 | Very low | 29.7 | Very low | 223 Ų | 223 | 134.4 Ų | 134.4 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | | | trans | 81.1 | 111.8 | 160.9 | -56.3 | 166.9 | -163.3 | -99 | 0.6 | 114.7 | | |
| 183 | L | 31.5 | Very low | 29.4 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | | | | 72.9 | 98.6 | 56 | -75.7 | 171.5 | 0 | 0 | 0 | 115.5 | | |
| 184 | H | 26.2 | Very low | 29.5 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 73% | 0.731 | 78% | 0.779 | S | S | * | * | | | | 150.9 | 154.9 | 129.7 | -81.4 | -5.1 | 0 | 0 | 0 | 111.1 | | |
| 185 | K | 29 | Very low | 29.4 | Very low | 185 Ų | 185 | 136.2 Ų | 136.2 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | cis | -174.4 | 175.2 | -33.7 | -135.3 | -178.8 | -177.4 | -178.3 | 0 | 106.1 | | |
| 186 | A | 28 | Very low | 29.4 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | 69.1 | 150.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 187 | S | 27 | Very low | 28.9 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | cis | -156.7 | 179.1 | -22.1 | -88.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 188 | T | 27.3 | Very low | 28.7 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 69% | 0.693 | 75% | 0.753 | S | S | * | * | | | cis | -178.1 | 132.3 | 47.6 | -56.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 189 | L | 31.7 | Very low | 29 | Very low | 152 Ų | 152 | 140.7 Ų | 140.7 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | | | trans | 44.1 | 152.8 | 149.2 | -55.2 | 175.6 | 0 | 0 | 0 | 121.1 | | |
| 190 | M | 28.8 | Very low | 28.8 | Very low | 151 Ų | 151 | 142 Ų | 142 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | | | cis | -166.3 | 157.4 | -0.3 | -112.3 | -108.7 | -144.8 | 0 | 0 | 109 | | |
| 191 | L | 27.9 | Very low | 29.3 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | | | | 154.3 | 123 | 106.8 | -165 | 60.2 | 0 | 0 | 0 | 116.3 | | |
| 192 | R | 26.1 | Very low | 30.4 | Very low | 180 Ų | 180 | 144 Ų | 144 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | | | trans | 73.4 | 121.9 | 151.9 | -87.4 | -176.4 | 167.5 | -144.9 | 0.8 | 124.4 | | |
| 193 | R | 30 | Very low | 31 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | | | | 65.5 | 113.7 | 129.9 | -73.1 | 179.5 | 179.1 | -154 | -2.4 | 118.4 | | |
| 194 | K | 35.4 | Very low | 31 | Very low | 177 Ų | 177 | 136.9 Ų | 136.9 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | | | | 82.3 | 129.5 | 72.9 | -94.8 | -148.1 | 175.9 | -150 | 0 | 112.9 | | |
| 195 | G | 32.6 | Very low | 31.7 | Very low | 66 Ų | 66 | 134.6 Ų | 134.6 | 68% | 0.68 | 75% | 0.745 | S | S | * | * | | | cis | 146.8 | 177.6 | -13.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 196 | Q | 29.3 | Very low | 31.5 | Very low | 140 Ų | 140 | 135 Ų | 135 | 65% | 0.654 | 75% | 0.75 | S | S | * | * | | | trans | 73.1 | 137.7 | 166.3 | -56.4 | -174.8 | -101.1 | 0 | 0 | 117.2 | | |
| 197 | E | 28.4 | Very low | 31.5 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 71% | 0.71 | 76% | 0.756 | S | S | * | * | | | cis | 115.4 | 114.9 | 5.9 | -178.6 | -151.8 | 151.6 | 0 | 0 | 113.5 | | |
| 198 | A | 28.3 | Very low | 31.6 | Very low | 94 Ų | 94 | 138 Ų | 138 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | | | trans | 177.7 | 153.3 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 199 | K | 29.4 | Very low | 31.6 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 73% | 0.726 | 76% | 0.758 | S | S | * | * | | | cis | -169.3 | 158.8 | -35.1 | -125.5 | 177 | -176.1 | 177.7 | 0 | 109.3 | | |
| 200 | N | 28.2 | Very low | 31.5 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | | | trans | 78.3 | 162 | 156.7 | -61 | -4.2 | 0 | 0 | 0 | 120.5 | | |
| 201 | P | 36.6 | Very low | 31.5 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | | | trans | -122.9 | -170.2 | -151.9 | 47.3 | -33.2 | 0 | 0 | 0 | 115.6 | | |
| 202 | P | 49.1 | Very low | 31.7 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | trans | -101.3 | -176.4 | -162 | 42 | -37.3 | 0 | 0 | 0 | 116.1 | | |
| 203 | P | 40.3 | Very low | 31.9 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | | -143.1 | -165.5 | 116 | 40.1 | -25.2 | 0 | 0 | 0 | 115.8 | | |
| 204 | A | 32.3 | Very low | 31.7 | Very low | 88 Ų | 88 | 133 Ų | 133 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -88 | -179.8 | -171 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 205 | P | 39.9 | Very low | 31.3 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | | | | -145.1 | 143.2 | 97.6 | 41.5 | -26.2 | 0 | 0 | 0 | 114.4 | | |
| 206 | E | 26.3 | Very low | 31.1 | Very low | 193 Ų | 193 | 130.4 Ų | 130.4 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | | 102.1 | 164.8 | 79.3 | -71.7 | -173.4 | 148.6 | 0 | 0 | 114.7 | | |
| 207 | C | 26.3 | Very low | 31.1 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 91% | 0.905 | 80% | 0.8 | S | S | * | * | | | trans | -119.1 | 141.6 | -170.3 | -63.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 208 | S | 29 | Very low | 31 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | | | trans | -167.2 | 147.3 | 158.3 | -164.2 | 0 | 0 | 0 | 0 | 110 | | |
| 209 | G | 27.8 | Very low | 31.1 | Very low | 56 Ų | 56 | 143 Ų | 143 | 58% | 0.577 | 81% | 0.812 | S | S | * | * | | | cis | 178.9 | 133.3 | -7.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 210 | F | 29.4 | Very low | 31.1 | Very low | 218 Ų | 218 | 142.1 Ų | 142.1 | 96% | 0.956 | 82% | 0.82 | S | S | * | * | | | trans | 53.7 | 142.7 | 157.8 | -70.5 | -83.8 | 0 | 0 | 0 | 124.1 | | |
| 211 | S | 29 | Very low | 31.2 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | | | trans | -95.7 | 161 | 171.9 | -41.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 212 | I | 31.3 | Very low | 30.7 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 89% | 0.892 | 81% | 0.812 | S | S | * | * | | | trans | -129.1 | 159.6 | 157.7 | -63.9 | -175.3 | 0 | 0 | 0 | 109.4 | | |
| 213 | L | 30.6 | Very low | 30 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | | | trans | -108.6 | 166.2 | -160.2 | -63.6 | 159.6 | 0 | 0 | 0 | 114.6 | | |
| 214 | S | 26.9 | Very low | 29.4 | Very low | 113 Ų | 113 | 142 Ų | 142 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | 84.1 | 139.5 | 133.2 | -81.9 | 0 | 0 | 0 | 0 | 124.1 | | |
| 215 | A | 26.8 | Very low | 29.5 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | trans | 97.4 | 155.9 | 132 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 216 | A | 28.1 | Very low | 29 | Very low | 92 Ų | 92 | 146.8 Ų | 146.8 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | | | trans | 71.8 | 76.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 217 | E | 28.8 | Very low | 29.1 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | | | | 6.5 | 128.4 | 113.5 | 179.2 | -177.3 | -135.1 | 0 | 0 | 117.9 | | |
| 218 | R | 27.2 | Very low | 29.2 | Very low | 253 Ų | 253 | 144 Ų | 144 | 96% | 0.955 | 81% | 0.81 | S | S | * | * | | | trans | -156.5 | 152.2 | 143.7 | -120.1 | 175.3 | -175.1 | -163.1 | -0.2 | 114.2 | | |
| 219 | R | 29.5 | Very low | 29.1 | Very low | 208 Ų | 208 | 141.1 Ų | 141.1 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | -73.5 | 165.9 | 179.6 | -55.3 | 174 | 171.3 | -148.6 | 3.5 | 113.2 | E221 | R219-E221 IonicContact NH1-OE2 2.81Š|
| 220 | V | 30 | Very low | 29.1 | Very low | 149 Ų | 149 | 150.3 Ų | 150.3 | 90% | 0.903 | 82% | 0.818 | S | S | * | * | | | | -167.2 | 163.8 | 114.4 | 140.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 221 | E | 30.1 | Very low | 29.1 | Very low | 146 Ų | 146 | 147.8 Ų | 147.8 | 68% | 0.682 | 81% | 0.809 | S | S | * | * | | | trans | -108.8 | 160.1 | -157.7 | -74.3 | 166.1 | 61.4 | 0 | 0 | 116.8 | R219 | R219-E221 IonicContact NH1-OE2 2.81Š|
| 222 | A | 25.3 | Very low | 29.2 | Very low | 87 Ų | 87 | 149.1 Ų | 149.1 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | | | trans | 53.5 | 124.6 | 140.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 223 | K | 34.2 | Very low | 29 | Very low | 198 Ų | 198 | 145.6 Ų | 145.6 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | | | | -176.9 | 139.4 | 109.9 | -99.3 | 172.2 | -176.1 | -176 | 0 | 109.1 | | |
| 224 | A | 29 | Very low | 28.8 | Very low | 83 Ų | 83 | 148.9 Ų | 148.9 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | | | cis | 68.6 | 122.4 | 32.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 225 | S | 33.4 | Very low | 28.9 | Very low | 104 Ų | 104 | 149.7 Ų | 149.7 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | cis | -163 | -174 | -0.5 | -78.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 226 | H | 30.6 | Very low | 28.8 | Very low | 194 Ų | 194 | 150.8 Ų | 150.8 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | | | trans | 119.1 | 131.5 | 164.2 | -68.8 | 81.2 | 0 | 0 | 0 | 113.7 | | |
| 227 | G | 27.2 | Very low | 29 | Very low | 68 Ų | 68 | 153.7 Ų | 153.7 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | cis | 133.7 | 73.8 | -17.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 228 | Q | 29.1 | Very low | 28.8 | Very low | 201 Ų | 201 | 151.8 Ų | 151.8 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | | | trans | -163.8 | 143.8 | 158.9 | -114.2 | 167.3 | -8.5 | 0 | 0 | 109.7 | | |
| 229 | G | 27.3 | Very low | 28.8 | Very low | 69 Ų | 69 | 147.7 Ų | 147.7 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | cis | 130.3 | 73.2 | -9.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 230 | R | 27.3 | Very low | 28.7 | Very low | 250 Ų | 250 | 143.7 Ų | 143.7 | 94% | 0.943 | 78% | 0.779 | S | S | * | * | | | trans | -158.5 | 152.4 | 157.6 | -115.2 | 179.6 | -167.4 | -77.6 | -2.6 | 111.5 | | |
| 231 | E | 29.8 | Very low | 29 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | trans | -153 | 166 | -165.4 | -158 | -165.8 | -158.6 | 0 | 0 | 111.4 | | |
| 232 | L | 31.6 | Very low | 28.9 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | | | trans | 84.4 | 143.3 | 158.7 | -55.3 | 178.9 | 0 | 0 | 0 | 121.8 | | |
| 233 | S | 26.3 | Very low | 29 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | | | trans | 79.2 | 138.2 | 160 | -62.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 234 | R | 26.7 | Very low | 28.8 | Very low | 224 Ų | 224 | 144.7 Ų | 144.7 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | | | cis | -160.2 | 131.9 | -10.5 | -118.4 | 170.2 | -167.1 | -133.6 | 2.3 | 112.6 | | |
| 235 | V | 27.8 | Very low | 28.7 | Very low | 130 Ų | 130 | 147.6 Ų | 147.6 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | | | trans | 40.8 | 119.7 | 136.3 | -179 | 0 | 0 | 0 | 0 | 120.9 | | |
| 236 | S | 26.3 | Very low | 28.7 | Very low | 120 Ų | 120 | 152 Ų | 152 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | | | | -152.4 | 161.2 | 118.6 | -159.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 237 | Q | 31.7 | Very low | 28.9 | Very low | 153 Ų | 153 | 149 Ų | 149 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | | | trans | -84.9 | 157.9 | -163.2 | -64.4 | 166.7 | -26.4 | 0 | 0 | 112.8 | | |
| 238 | H | 25.4 | Very low | 29.4 | Very low | 149 Ų | 149 | 155 Ų | 155 | 69% | 0.69 | 79% | 0.785 | S | S | * | * | | | cis | -155.9 | 153.6 | 48.9 | -78 | -73 | 0 | 0 | 0 | 114.9 | | |
| 239 | Q | 27 | Very low | 29.4 | Very low | 167 Ų | 167 | 157 Ų | 157 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | | | trans | 45.4 | 143.9 | 136.6 | -62.1 | -173.8 | 88.3 | 0 | 0 | 122.1 | | |
| 240 | V | 25.8 | Very low | 29.4 | Very low | 125 Ų | 125 | 160.1 Ų | 160.1 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | | | cis | 174 | 155.1 | -19 | 115.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 241 | P | 37.8 | Very low | 29.7 | Very low | 104 Ų | 104 | 158 Ų | 158 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | | | cis | -135.6 | 177.9 | -44.4 | 43.2 | -23.8 | 0 | 0 | 0 | 115.5 | | |
| 242 | V | 26.4 | Very low | 29.6 | Very low | 126 Ų | 126 | 156 Ų | 156 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | trans | 19.7 | 117.7 | 138.2 | 177.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 243 | L | 28.8 | Very low | 29.4 | Very low | 156 Ų | 156 | 154.5 Ų | 154.5 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | | | | 72.7 | 115.9 | 60.5 | -175.3 | 89.7 | 0 | 0 | 0 | 117.1 | | |
| 244 | R | 28.5 | Very low | 29.5 | Very low | 214 Ų | 214 | 155.5 Ų | 155.5 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | trans | -166.7 | 157.8 | 147.9 | -99.6 | -166.6 | -177.6 | -97.4 | -1.2 | 107.6 | | |
| 245 | E | 27.5 | Very low | 29.4 | Very low | 145 Ų | 145 | 150.8 Ų | 150.8 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | | | cis | -179.5 | 169.9 | -27.8 | -117.2 | -165.3 | 130.1 | 0 | 0 | 105.4 | | |
| 246 | K | 33.3 | Very low | 29.5 | Very low | 197 Ų | 197 | 153.7 Ų | 153.7 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | | | trans | -105.1 | 160.6 | 178.7 | -57.9 | 176.4 | -176.6 | 176.3 | 0 | 111.4 | | |
| 247 | P | 34.7 | Very low | 29.6 | Very low | 130 Ų | 130 | 158.1 Ų | 158.1 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | | | trans | -112.3 | 160.5 | 144.1 | 32.5 | -24.8 | 0 | 0 | 0 | 113.2 | | |
| 248 | K | 38.9 | Very low | 29.4 | Very low | 195 Ų | 195 | 157.4 Ų | 157.4 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | | | trans | -105.5 | 151 | 179.8 | -62.8 | 169.5 | 178.5 | 169 | 0 | 111.6 | | |
| 249 | R | 28.6 | Very low | 29.9 | Very low | 243 Ų | 243 | 159.9 Ų | 159.9 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | | | trans | -159.9 | 120.3 | 138.3 | -103.6 | 166.2 | -179.1 | -115.9 | 0.1 | 106.6 | | |
| 250 | V | 27.6 | Very low | 30.1 | Very low | 134 Ų | 134 | 158 Ų | 158 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | | 82.4 | 136.5 | 53.7 | 178.6 | 0 | 0 | 0 | 0 | 112 | | |
| 251 | K | 33.5 | Very low | 30.8 | Very low | 205 Ų | 205 | 157.8 Ų | 157.8 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | | | trans | -91.8 | 147.4 | -160.2 | -57.8 | 167.3 | 178.1 | 174 | 0 | 112.8 | | |
| 252 | S | 26.6 | Very low | 30.4 | Very low | 122 Ų | 122 | 163 Ų | 163 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | | | trans | -129.5 | 179.7 | 152.1 | 61.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 253 | S | 27.7 | Very low | 30.4 | Very low | 107 Ų | 107 | 165 Ų | 165 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | | | trans | -159.9 | 159.8 | -160 | 54.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 254 | S | 28.9 | Very low | 30.9 | Very low | 119 Ų | 119 | 163 Ų | 163 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | | | trans | 71.9 | 163.9 | 171.9 | 85.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 255 | C | 24.5 | Very low | 30.7 | Very low | 125 Ų | 125 | 158.6 Ų | 158.6 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | | | cis | -143.7 | -169.1 | 8.4 | 69.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 256 | K | 30.1 | Very low | 31.1 | Very low | 191 Ų | 191 | 156.9 Ų | 156.9 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | | | trans | -72.6 | 179.2 | -162.6 | -65.5 | 177.8 | 172.1 | 178 | 0 | 116.8 | | |
| 257 | R | 29.3 | Very low | 31 | Very low | 214 Ų | 214 | 159.2 Ų | 159.2 | 81% | 0.808 | 83% | 0.826 | S | S | * | * | | | trans | 78.3 | 149.7 | 162 | -72.4 | 178.4 | 176.3 | -108.4 | 11.1 | 115.1 | | |
| 258 | E | 26.9 | Very low | 30.9 | Very low | 137 Ų | 137 | 164.4 Ų | 164.4 | 64% | 0.64 | 83% | 0.829 | S | S | * | * | | | cis | -147.6 | 170.1 | -10.1 | -149.5 | 142.7 | 135.4 | 0 | 0 | 110.5 | | |
| 259 | K | 35.2 | Very low | 30.4 | Very low | 201 Ų | 201 | 159.9 Ų | 159.9 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | | | trans | -122.2 | 110.8 | 173.6 | -82.5 | -172.5 | 176.9 | -178.6 | 0 | 111.9 | | |
| 260 | T | 32.2 | Very low | 30.8 | Very low | 129 Ų | 129 | 153.2 Ų | 153.2 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | | | trans | -155.2 | 157 | 161 | 14.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 261 | P | 38.8 | Very low | 31.1 | Very low | 119 Ų | 119 | 156.1 Ų | 156.1 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | | | trans | -91.4 | 166.4 | -157.9 | 36.1 | -37.4 | 0 | 0 | 0 | 114.6 | | |
| 262 | K | 30.8 | Very low | 31.3 | Very low | 213 Ų | 213 | 152.9 Ų | 152.9 | 93% | 0.926 | 82% | 0.819 | S | S | * | * | | | trans | -108.9 | 134.3 | 165.8 | -78.5 | -172.5 | 173.9 | -178.9 | 0 | 111.8 | | |
| 263 | L | 26 | Very low | 31.7 | Very low | 168 Ų | 168 | 156 Ų | 156 | 88% | 0.88 | 82% | 0.817 | S | S | * | * | | | trans | -72.4 | 160.6 | 174.5 | -76.6 | 164.4 | 0 | 0 | 0 | 111.9 | | |
| 264 | P | 40.2 | Very low | 32.4 | Very low | 116 Ų | 116 | 158 Ų | 158 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | | | trans | -84.2 | 144.8 | -174.6 | 33.7 | -35.8 | 0 | 0 | 0 | 113.4 | | |
| 265 | S | 23.2 | Very low | 33.2 | Very low | 121 Ų | 121 | 159.8 Ų | 159.8 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | trans | -173.3 | 162.2 | 161.7 | -92.5 | 0 | 0 | 0 | 0 | 112 | | |
| 266 | P | 36.6 | Very low | 34.1 | Very low | 108 Ų | 108 | 160.4 Ų | 160.4 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | cis | -124.9 | 173.2 | -16.6 | 37.9 | -23.9 | 0 | 0 | 0 | 112.9 | | |
| 267 | R | 30.5 | Very low | 34.8 | Very low | 246 Ų | 246 | 158.9 Ų | 158.9 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | | | trans | -57.3 | 146.1 | 155.9 | -72 | 178.9 | 171 | -171.2 | -2.9 | 109.4 | | |
| 268 | R | 32 | Very low | 35.5 | Very low | 240 Ų | 240 | 154.9 Ų | 154.9 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | | | trans | -111 | 143.6 | 147.6 | -70.2 | -163.3 | -176.8 | -155.5 | 3.2 | 108.7 | | |
| 269 | A | 30 | Very low | 36.7 | Very low | 100 Ų | 100 | 152.7 Ų | 152.7 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | | | trans | -76.2 | 167.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 270 | A | 36.6 | Very low | 37.3 | Very low | 102 Ų | 102 | 150.9 Ų | 150.9 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -58.3 | 150.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 271 | K | 33.6 | Very low | 38.4 | Very low | 196 Ų | 196 | 149.6 Ų | 149.6 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | | | trans | -131.1 | 105.7 | 158.8 | -166.2 | 168.4 | -171 | 174.4 | 0 | 107.6 | K273 | K271-K273 PolarHBondContact O-N 2.97Š|
| 272 | D | 37.7 | Very low | 39.6 | Very low | 137 Ų | 137 | 148.6 Ų | 148.6 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | | | trans | -65.6 | 126.7 | -178.2 | -170.6 | -11.2 | 0 | 0 | 0 | 110.5 | H274 | D272-H274 PolarHBondContact OD1-N 3.28Š|
| 273 | K | 36.1 | Very low | 41.6 | Very low | 187 Ų | 187 | 140.7 Ų | 140.7 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | | | trans | -142.7 | 47.3 | 171 | -88.1 | -61.5 | -171.6 | 176.3 | 0 | 111.3 | K271 | K271-K273 PolarHBondContact O-N 2.97Š|
| 274 | H | 40.8 | Very low | 43.8 | Very low | 148 Ų | 148 | 136 Ų | 136 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | | | trans | 29.3 | 108.4 | 142.4 | -171.1 | -113.7 | 0 | 0 | 0 | 118 | D272 | D272-H274 PolarHBondContact OD1-N 3.28Š|
| 275 | K | 47 | Very low | 45.4 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 69% | 0.687 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 102.9 | 144 | 168.3 | -56.9 | -70.7 | 175.5 | 178.8 | 0 | 117.4 | | |
| 276 | D | 42.8 | Very low | 48.1 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | | | trans | 75.4 | 4.5 | 163.9 | -61.5 | -1.1 | 0 | 0 | 0 | 122.8 | | |
| 277 | E | 44.4 | Very low | 50.1 | Low | 159 Ų | 159 | 137.3 Ų | 137.3 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -23.1 | 173.6 | -76.9 | -82.7 | 137.8 | 0 | 0 | 115.5 | S279 | E277-S279 VanDerWaalsContact C-N 3.31Å; E277-S279 PolarHBondContact O-N 3.02Å |
| 278 | D | 44.3 | Very low | 52.6 | Low | 129 Ų | 129 | 132.9 Ų | 132.9 | 69% | 0.69 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -69.1 | -25.5 | -173.3 | -74.5 | -52.6 | 0 | 0 | 0 | 114 | L281 V282 | D278-L281 PolarHBondContact O-N 3.29Å; D278-V282 WeakPolarHBondContact O-CG2 3.44Å; D278-V282 PolarHBondContact O-N 2.94Å |
| 279 | S | 51.9 | Low | 55 | Low | 91 Ų | 91 | 127 Ų | 127 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.4 | -39.4 | -172.5 | -67.1 | 0 | 0 | 0 | 0 | 113.4 | E277 | E277-S279 VanDerWaalsContact C-N 3.31Å; E277-S279 PolarHBondContact O-N 3.02Å |
| 280 | E | 48.6 | Very low | 57.7 | Low | 164 Ų | 164 | 123.8 Ų | 123.8 | 77% | 0.766 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.3 | -38.1 | 179.1 | -60.4 | -154.6 | 156.9 | 0 | 0 | 111.6 | V282 G283 V284 | E280-V282 VanDerWaalsContact C-N 3.32Å; E280-V282 PolarHBondContact O-N 3.15Å; E280-G283 PolarHBondContact O-N 3.22Å; E280-V284 PolarHBondContact O-N 2.61Å |
| 281 | L | 55.1 | Low | 59.7 | Low | 101 Ų | 101 | 122.3 Ų | 122.3 | 53% | 0.529 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.7 | -35 | 178.5 | -68 | 176.9 | 0 | 0 | 0 | 112.3 | D278 G283 V284 Y285 | D278-L281 PolarHBondContact O-N 3.29Å; L281-G283 PolarHBondContact O-N 3.1Å; L281-V284 PolarHBondContact O-N 3.23Å; L281-Y285 WeakPolarHBondContact O-CB 3.29Å; L281-Y285 PolarHBondContact O-N 3.49Å |
| 282 | V | 63.6 | Low | 61.6 | Low | 99 Ų | 99 | 115.2 Ų | 115.2 | 60% | 0.6 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.1 | -45 | 174.5 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | D278 E280 Y285 A286 | D278-V282 WeakPolarHBondContact O-CG2 3.44Å; D278-V282 PolarHBondContact O-N 2.94Å; E280-V282 VanDerWaalsContact C-N 3.32Å; E280-V282 PolarHBondContact O-N 3.15Å; V282-Y285 PolarHBondContact O-N 3.1Å; V282-A286 VanDerWaalsContact O-CB 3.23Å; V282-A286 WeakPolarHBondContact O-CB 3.44Å; V282-A286 PolarHBondContact O-N 3.48Å |
| 283 | G | 72.8 | Confident | 63.6 | Low | 46 Ų | 46 | 113.9 Ų | 113.9 | 47% | 0.474 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.1 | -48 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E280 L281 A286 W287 | E280-G283 PolarHBondContact O-N 3.22Å; L281-G283 PolarHBondContact O-N 3.1Å; G283-A286 PolarHBondContact O-N 2.97Å; G283-W287 WeakPolarHBondContact O-CB 3.27Å; G283-W287 PolarHBondContact O-N 3.21Å |
| 284 | V | 72.6 | Confident | 65.7 | Low | 71 Ų | 71 | 108.3 Ų | 108.3 | 43% | 0.43 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72.8 | -29.3 | -179.5 | -169.3 | 0 | 0 | 0 | 0 | 112 | E280 L281 R288 | E280-V284 PolarHBondContact O-N 2.61Å; L281-V284 PolarHBondContact O-N 3.23Å; V284-R288 WeakPolarHBondContact O-CB 3.3Å; V284-R288 WeakPolarHBondContact O-CG 3.43Å; V284-R288 PolarHBondContact O-N 3.01Å; V284-R288 PolarHBondContact O-NE 3Å |
| 285 | Y | 72.9 | Confident | 67.5 | Low | 140 Ų | 140 | 108.3 Ų | 108.3 | 55% | 0.549 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.7 | -46.3 | 172.4 | -172.6 | -90.7 | 0 | 0 | 0 | 111.4 | L281 V282 W287 R288 K289 | L281-Y285 WeakPolarHBondContact O-CB 3.29Å; L281-Y285 PolarHBondContact O-N 3.49Å; V282-Y285 PolarHBondContact O-N 3.1Å; Y285-W287 VanDerWaalsContact C-N 3.33Å; Y285-W287 PolarHBondContact O-N 2.91Å; Y285-R288 PolarHBondContact O-N 3.49Å; Y285-K289 HydrophobicContact CD1-CG 3.9Å; Y285-K289 HydrophobicContact CE1-CD 4.22Å; Y285-K289 HydrophobicContact CE1-CG 3.58Å; Y285-K289 WeakPolarHBondContact O-CB 3.38Å; Y285-K289 WeakPolarHBondContact O-CG 3.49Å; Y285-K289 PolarHBondContact O-N 2.9Å; Y285-K289 WeakPolarHBondContact OH-CE 3.49Å |
| 286 | A | 79.9 | Confident | 68.7 | Low | 59 Ų | 59 | 105.7 Ų | 105.7 | 49% | 0.488 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V282 G283 K289 G290 | V282-A286 VanDerWaalsContact O-CB 3.23Å; V282-A286 WeakPolarHBondContact O-CB 3.44Å; V282-A286 PolarHBondContact O-N 3.48Å; G283-A286 PolarHBondContact O-N 2.97Å; A286-K289 PolarHBondContact O-N 3.38Å; A286-G290 PolarHBondContact O-N 3.22Å |
| 287 | W | 77.9 | Confident | 70.3 | Confident | 173 Ų | 173 | 103.6 Ų | 103.6 | 66% | 0.655 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61 | -47.9 | 173 | -178.2 | -109.4 | 0 | 0 | 0 | 112.2 | G283 Y285 K289 G290 Q291 | G283-W287 WeakPolarHBondContact O-CB 3.27Å; G283-W287 PolarHBondContact O-N 3.21Å; Y285-W287 VanDerWaalsContact C-N 3.33Å; Y285-W287 PolarHBondContact O-N 2.91Å; W287-K289 PolarHBondContact O-N 2.89Å; W287-G290 PolarHBondContact O-N 2.86Å; W287-Q291 HydrophobicContact CD2-CG 4.47Å; W287-Q291 VanDerWaalsContact CZ2-NE2 3.33Å; W287-Q291 WeakPolarHBondContact O-CB 3.3Å; W287-Q291 WeakPolarHBondContact O-CG 3.49Å; W287-Q291 PolarHBondContact O-N 3.1Å |
| 288 | R | 83.4 | Confident | 71.9 | Confident | 152 Ų | 152 | 100.5 Ų | 100.5 | 57% | 0.574 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.6 | -37.4 | 177.8 | -76.2 | -176.6 | -76.6 | -154.8 | -0.2 | 112.6 | V284 Y285 A292 | V284-R288 WeakPolarHBondContact O-CB 3.3Å; V284-R288 WeakPolarHBondContact O-CG 3.43Å; V284-R288 PolarHBondContact O-N 3.01Å; V284-R288 PolarHBondContact O-NE 3Å; Y285-R288 PolarHBondContact O-N 3.49Å; R288-A292 WeakPolarHBondContact O-CB 3.48Å; R288-A292 PolarHBondContact O-N 3.45Å |
| 289 | K | 82.7 | Confident | 73.2 | Confident | 118 Ų | 118 | 95.7 Ų | 95.7 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 171.7 | -78.6 | -76 | -173.2 | 169.8 | 0 | 112.2 | Y285 A286 W287 A292 L293 | Y285-K289 HydrophobicContact CD1-CG 3.9Å; Y285-K289 HydrophobicContact CE1-CD 4.22Å; Y285-K289 HydrophobicContact CE1-CG 3.58Å; Y285-K289 WeakPolarHBondContact O-CB 3.38Å; Y285-K289 WeakPolarHBondContact O-CG 3.49Å; Y285-K289 PolarHBondContact O-N 2.9Å; Y285-K289 WeakPolarHBondContact OH-CE 3.49Å; A286-K289 PolarHBondContact O-N 3.38Å; W287-K289 PolarHBondContact O-N 2.89Å; K289-A292 WeakPolarHBondContact O-CB 3.32Å; K289-A292 PolarHBondContact O-N 3.36Å; K289-L293 WeakPolarHBondContact O-CB 3.46Å; K289-L293 PolarHBondContact O-N 3.24Å |
| 290 | G | 87.3 | Confident | 74 | Confident | 32 Ų | 32 | 97 Ų | 97 | 33% | 0.33 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A286 W287 A292 L293 V294 | A286-G290 PolarHBondContact O-N 3.22Å; W287-G290 PolarHBondContact O-N 2.86Å; G290-A292 VanDerWaalsContact C-N 3.33Å; G290-A292 PolarHBondContact O-N 2.87Å; G290-L293 PolarHBondContact O-N 3.08Å; G290-V294 WeakPolarHBondContact O-CB 3.2Å; G290-V294 VanDerWaalsContact O-CG2 3.28Å; G290-V294 WeakPolarHBondContact O-CG2 3.39Å; G290-V294 PolarHBondContact O-N 3.5Å |
| 291 | Q | 78.4 | Confident | 74.3 | Confident | 70 Ų | 70 | 93.2 Ų | 93.2 | 33% | 0.327 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -37 | 174 | -70 | -67.5 | -24.2 | 0 | 0 | 112.5 | W287 R295 | W287-Q291 HydrophobicContact CD2-CG 4.47Å; W287-Q291 VanDerWaalsContact CZ2-NE2 3.33Å; W287-Q291 WeakPolarHBondContact O-CB 3.3Å; W287-Q291 WeakPolarHBondContact O-CG 3.49Å; W287-Q291 PolarHBondContact O-N 3.1Å; Q291-R295 WeakPolarHBondContact O-CD 3.43Å; Q291-R295 WeakPolarHBondContact O-CG 3.36Å; Q291-R295 PolarHBondContact O-N 2.98Å; Q291-R295 VanDerWaalsContact O-N 3.12Å |
| 292 | A | 73.1 | Confident | 74.2 | Confident | 48 Ų | 48 | 94 Ų | 94 | 40% | 0.397 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.1 | -45.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | R288 K289 G290 V294 R295 S296 | R288-A292 WeakPolarHBondContact O-CB 3.48Å; R288-A292 PolarHBondContact O-N 3.45Å; K289-A292 WeakPolarHBondContact O-CB 3.32Å; K289-A292 PolarHBondContact O-N 3.36Å; G290-A292 VanDerWaalsContact C-N 3.33Å; G290-A292 PolarHBondContact O-N 2.87Å; A292-V294 VanDerWaalsContact C-N 3.35Å; A292-V294 PolarHBondContact O-N 2.85Å; A292-R295 WeakPolarHBondContact O-CB 3.41Å; A292-R295 PolarHBondContact O-N 3.41Å; A292-R295 VanDerWaalsContact O-N 3.14Å; A292-S296 PolarHBondContact O-N 2.91Å; A292-S296 PolarHBondContact O-OG 2.91Å |
| 293 | L | 80.3 | Confident | 73.4 | Confident | 109 Ų | 109 | 95.5 Ų | 95.5 | 57% | 0.571 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.2 | -43.4 | 177.2 | -164 | 84.8 | 0 | 0 | 0 | 111.5 | K289 G290 R295 S296 L297 | K289-L293 WeakPolarHBondContact O-CB 3.46Å; K289-L293 PolarHBondContact O-N 3.24Å; G290-L293 PolarHBondContact O-N 3.08Å; L293-R295 VanDerWaalsContact C-N 3.33Å; L293-R295 PolarHBondContact O-N 3.12Å; L293-S296 PolarHBondContact O-N 3.36Å; L293-L297 HydrophobicContact CD2-CD1 4.02Å; L293-L297 HydrophobicContact CG-CD1 3.88Å; L293-L297 HydrophobicContact CG-CG 4.42Å; L293-L297 WeakPolarHBondContact O-CB 3.41Å; L293-L297 VanDerWaalsContact O-CG 3.32Å; L293-L297 WeakPolarHBondContact O-CG 3.45Å; L293-L297 PolarHBondContact O-N 3.12Å |
| 294 | V | 79.1 | Confident | 71.9 | Confident | 70 Ų | 70 | 100.7 Ų | 100.7 | 42% | 0.424 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 174.7 | 167.8 | 0 | 0 | 0 | 0 | 111.2 | G290 A292 L297 L298 | G290-V294 WeakPolarHBondContact O-CB 3.2Å; G290-V294 VanDerWaalsContact O-CG2 3.28Å; G290-V294 WeakPolarHBondContact O-CG2 3.39Å; G290-V294 PolarHBondContact O-N 3.5Å; A292-V294 VanDerWaalsContact C-N 3.35Å; A292-V294 PolarHBondContact O-N 2.85Å; V294-L297 PolarHBondContact O-N 3.37Å; V294-L298 HydrophobicContact CG1-CD1 3.9Å; V294-L298 HydrophobicContact CG1-CG 4.39Å; V294-L298 VanDerWaalsContact O-CB 3.31Å; V294-L298 WeakPolarHBondContact O-CB 3.37Å; V294-L298 PolarHBondContact O-N 3.01Å |
| 295 | R | 78.8 | Confident | 69.9 | Low | 148 Ų | 148 | 108 Ų | 108 | 56% | 0.558 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.8 | -36 | 174.9 | -68.9 | 164.9 | -170.9 | -167.6 | 1.4 | 112.5 | Q291 A292 L293 G299 | Q291-R295 WeakPolarHBondContact O-CD 3.43Å; Q291-R295 WeakPolarHBondContact O-CG 3.36Å; Q291-R295 PolarHBondContact O-N 2.98Å; Q291-R295 VanDerWaalsContact O-N 3.12Å; A292-R295 WeakPolarHBondContact O-CB 3.41Å; A292-R295 PolarHBondContact O-N 3.41Å; A292-R295 VanDerWaalsContact O-N 3.14Å; L293-R295 VanDerWaalsContact C-N 3.33Å; L293-R295 PolarHBondContact O-N 3.12Å; R295-G299 CarbonylContact O-C 3.14Å; R295-G299 WeakPolarHBondContact O-CA 3.38Å; R295-G299 PolarHBondContact O-N 2.92Å |
| 296 | S | 72.4 | Confident | 68 | Low | 102 Ų | 102 | 111.7 Ų | 111.7 | 71% | 0.713 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.4 | -37.9 | 174.9 | -63 | 0 | 0 | 0 | 0 | 113 | A292 L293 | A292-S296 PolarHBondContact O-N 2.91Å; A292-S296 PolarHBondContact O-OG 2.91Å; L293-S296 PolarHBondContact O-N 3.36Å |
| 297 | L | 76.9 | Confident | 65.7 | Low | 95 Ų | 95 | 117.6 Ų | 117.6 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -83.6 | -38.7 | -176.6 | -69.5 | 173 | 0 | 0 | 0 | 113.4 | L293 V294 | L293-L297 HydrophobicContact CD2-CD1 4.02Å; L293-L297 HydrophobicContact CG-CD1 3.88Å; L293-L297 HydrophobicContact CG-CG 4.42Å; L293-L297 WeakPolarHBondContact O-CB 3.41Å; L293-L297 VanDerWaalsContact O-CG 3.32Å; L293-L297 WeakPolarHBondContact O-CG 3.45Å; L293-L297 PolarHBondContact O-N 3.12Å; V294-L297 PolarHBondContact O-N 3.37Å |
| 298 | L | 78.1 | Confident | 63.4 | Low | 93 Ų | 93 | 117.5 Ų | 117.5 | 49% | 0.487 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -95.6 | -18.2 | -179.6 | -55.7 | -174.2 | 0 | 0 | 0 | 113 | V294 R668 | V294-L298 HydrophobicContact CG1-CD1 3.9Å; V294-L298 HydrophobicContact CG1-CG 4.39Å; V294-L298 VanDerWaalsContact O-CB 3.31Å; V294-L298 WeakPolarHBondContact O-CB 3.37Å; V294-L298 PolarHBondContact O-N 3.01Å; L298-R668 PolarHBondContact O-NH2 3.48Å |
| 299 | G | 71.5 | Confident | 60.8 | Low | 29 Ų | 29 | 115.3 Ų | 115.3 | 30% | 0.299 | 61% | 0.612 | S | S | . | * | | | trans | 90.4 | 173.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R295 | R295-G299 CarbonylContact O-C 3.14Å; R295-G299 WeakPolarHBondContact O-CA 3.38Å; R295-G299 PolarHBondContact O-N 2.92Å |
| 300 | P | 68.3 | Low | 58.6 | Low | 117 Ų | 117 | 119.2 Ų | 119.2 | 76% | 0.76 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -59.6 | 144.8 | 174.5 | 26.2 | -34.3 | 0 | 0 | 0 | 110.8 | | |
| 301 | P | 55.9 | Low | 55.7 | Low | 86 Ų | 86 | 124.7 Ų | 124.7 | 56% | 0.558 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 148.6 | 176.1 | 27.6 | -34.8 | 0 | 0 | 0 | 110.4 | V303 | P301-V303 PolarHBondContact O-N 3.4Å; P301-V303 VanDerWaalsContact O-N 3.14Å |
| 302 | P | 52.6 | Low | 53.6 | Low | 116 Ų | 116 | 127.1 Ų | 127.1 | 75% | 0.753 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 121 | 177.6 | 26 | -33.7 | 0 | 0 | 0 | 109.6 | L304 | P302-L304 PolarHBondContact O-N 3.29Š|
| 303 | V | 47.4 | Very low | 51.3 | Low | 132 Ų | 132 | 130.2 Ų | 130.2 | 80% | 0.8 | 69% | 0.691 | S | S | * | * | | | trans | -68.6 | 96.9 | 175.1 | -179.9 | 0 | 0 | 0 | 0 | 108 | P301 R305 | P301-V303 PolarHBondContact O-N 3.4Å; P301-V303 VanDerWaalsContact O-N 3.14Å; V303-R305 PolarHBondContact O-N 3.06Å |
| 304 | L | 40.5 | Very low | 49 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 81% | 0.812 | 71% | 0.707 | S | S | * | * | | | trans | -58.3 | 105.9 | 163.8 | -66.7 | 178.3 | 0 | 0 | 0 | 107.1 | P302 R306 | P302-L304 PolarHBondContact O-N 3.29Å; L304-R306 PolarHBondContact O-N 3.45Å |
| 305 | R | 31.5 | Very low | 46.5 | Very low | 225 Ų | 225 | 140.5 Ų | 140.5 | 85% | 0.849 | 73% | 0.726 | S | S | * | * | | | trans | -60.4 | 109.7 | 173.1 | -80.8 | -167.7 | 171.1 | -148.6 | -2 | 107.6 | V303 H307 | V303-R305 PolarHBondContact O-N 3.06Å; R305-H307 PolarHBondContact O-N 3.12Å; R305-H307 VanDerWaalsContact O-N 3.12Å |
| 306 | R | 30.9 | Very low | 44.5 | Very low | 217 Ų | 217 | 139.1 Ų | 139.1 | 82% | 0.819 | 74% | 0.737 | S | S | * | * | | | trans | -54.6 | 121 | 162.6 | -68.2 | -171.7 | -175.6 | -139.7 | 1.3 | 106.6 | L304 H308 | L304-R306 PolarHBondContact O-N 3.45Å; R306-H308 PolarHBondContact O-CD2 2.75Å; R306-H308 VanDerWaalsContact O-CD2 3.28Å; R306-H308 PolarHBondContact O-N 3.16Å |
| 307 | H | 31.8 | Very low | 42.3 | Very low | 183 Ų | 183 | 138.9 Ų | 138.9 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | | | trans | -67.9 | 103.3 | 167 | -83.5 | -114.9 | 0 | 0 | 0 | 106.4 | R305 S309 | R305-H307 PolarHBondContact O-N 3.12Å; R305-H307 VanDerWaalsContact O-N 3.12Å; H307-S309 VanDerWaalsContact C-N 3.31Å; H307-S309 PolarHBondContact O-N 3.19Å |
| 308 | H | 29.7 | Very low | 40.1 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | | | trans | -69.4 | 93.8 | 171.9 | -71.7 | -96.3 | 0 | 0 | 0 | 108 | R306 K310 | R306-H308 PolarHBondContact O-CD2 2.75Å; R306-H308 VanDerWaalsContact O-CD2 3.28Å; R306-H308 PolarHBondContact O-N 3.16Å; H308-K310 PolarHBondContact O-N 2.91Å |
| 309 | S | 29.5 | Very low | 37.8 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -55.9 | 119.4 | 160.5 | 46.4 | 0 | 0 | 0 | 0 | 108 | H307 D311 | H307-S309 VanDerWaalsContact C-N 3.31Å; H307-S309 PolarHBondContact O-N 3.19Å; S309-D311 PolarHBondContact O-N 3.26Å |
| 310 | K | 35.8 | Very low | 35.9 | Very low | 200 Ų | 200 | 149.3 Ų | 149.3 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | | | trans | -76 | 120.3 | 170.1 | -76.3 | -177.4 | 172.8 | -175.3 | 0 | 108.3 | H308 | H308-K310 PolarHBondContact O-N 2.91Š|
| 311 | D | 27.7 | Very low | 34 | Very low | 146 Ų | 146 | 150.4 Ų | 150.4 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | | | trans | -137.2 | 151.8 | 151.4 | -86.2 | -56.9 | 0 | 0 | 0 | 109.1 | S309 S313 | S309-D311 PolarHBondContact O-N 3.26Å; D311-S313 PolarHBondContact O-N 3.3Å |
| 312 | P | 33.4 | Very low | 32.7 | Very low | 122 Ų | 122 | 153.8 Ų | 153.8 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | | | trans | -92.8 | 109.8 | -161.4 | -2 | 22.8 | 0 | 0 | 0 | 111.7 | R314 | P312-R314 PolarHBondContact O-N 2.87Š|
| 313 | S | 25.4 | Very low | 31.4 | Very low | 113 Ų | 113 | 151.4 Ų | 151.4 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 119.3 | 166 | 53.4 | 0 | 0 | 0 | 0 | 110.1 | D311 | D311-S313 PolarHBondContact O-N 3.3Š|
| 314 | R | 30.8 | Very low | 30.4 | Very low | 241 Ų | 241 | 153 Ų | 153 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 134.2 | 170.2 | -70.6 | 179.4 | 171.8 | -176.4 | -3.4 | 110.5 | P312 | P312-R314 PolarHBondContact O-N 2.87Š|
| 315 | D | 28.6 | Very low | 29.9 | Very low | 153 Ų | 153 | 150.5 Ų | 150.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -70 | 134.8 | 166.2 | -64.2 | -57.2 | 0 | 0 | 0 | 111.5 | | |
| 316 | P | 36.1 | Very low | 29.9 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 125 | 150.1 | 32.2 | -26.5 | 0 | 0 | 0 | 109.2 | | |
| 317 | A | 26.1 | Very low | 30.1 | Very low | 97 Ų | 97 | 147.3 Ų | 147.3 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 153.6 | -171 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 318 | L | 31.5 | Very low | 30.1 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 143.8 | 176.1 | -67.2 | 166.5 | 0 | 0 | 0 | 112.4 | | |
| 319 | T | 28.6 | Very low | 30 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | | | trans | -96.4 | 104.7 | 166.9 | 50 | 0 | 0 | 0 | 0 | 111.3 | | |
| 320 | V | 31.7 | Very low | 29.9 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | | | trans | -17.7 | 141.2 | 143.1 | 176.3 | 0 | 0 | 0 | 0 | 113 | | |
| 321 | D | 29.8 | Very low | 29.6 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | | | cis | -156.7 | 176.4 | 35 | -145.2 | -13.5 | 0 | 0 | 0 | 116.9 | | |
| 322 | L | 27.7 | Very low | 29.4 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | | | trans | 86.2 | 119.3 | 144.6 | -136.8 | 71.3 | 0 | 0 | 0 | 119.9 | | |
| 323 | G | 25.2 | Very low | 28.9 | Very low | 66 Ų | 66 | 139.8 Ų | 139.8 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | | | trans | 160.3 | 17.8 | 170 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 324 | D | 25.6 | Very low | 29.2 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | 58.8 | 152.8 | 162.9 | -66.3 | -31.8 | 0 | 0 | 0 | 119.5 | | |
| 325 | S | 31.6 | Very low | 29.6 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | | | cis | -146.2 | 166.7 | 2.2 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 326 | E | 31.3 | Very low | 29.4 | Very low | 189 Ų | 189 | 132.3 Ų | 132.3 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | | | trans | 78.1 | 148.7 | 153.1 | -152.5 | 152.1 | -152.9 | 0 | 0 | 119.2 | | |
| 327 | K | 35 | Very low | 28.8 | Very low | 187 Ų | 187 | 132.7 Ų | 132.7 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | -141.3 | 145.9 | -145.9 | -87.6 | -178.2 | 177.8 | 174.3 | 0 | 113.4 | | |
| 328 | V | 30.8 | Very low | 28.9 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | trans | 71.8 | 148.4 | 142.9 | 171.7 | 0 | 0 | 0 | 0 | 113.2 | A330 | V328-A330 HydrophobicContact CG1-CB 4.22Š|
| 329 | I | 28.5 | Very low | 28.6 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | | | cis | -134.3 | 131.7 | 37.8 | -17.3 | -175.2 | 0 | 0 | 0 | 108.5 | | |
| 330 | A | 27.6 | Very low | 28.5 | Very low | 83 Ų | 83 | 132.6 Ų | 132.6 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | | | cis | 67.3 | 140.6 | 47.3 | 0 | 0 | 0 | 0 | 0 | 113 | V328 | V328-A330 HydrophobicContact CG1-CB 4.22Š|
| 331 | A | 28.1 | Very low | 28.4 | Very low | 88 Ų | 88 | 132.3 Ų | 132.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | cis | -164.9 | -168 | -7.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 332 | K | 25.4 | Very low | 28 | Very low | 199 Ų | 199 | 132.1 Ų | 132.1 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | | | trans | 86.5 | 140.5 | 168.3 | -53.3 | 175.6 | -177.7 | 178.1 | 0 | 116.7 | | |
| 333 | C | 22.9 | Very low | 28 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | cis | -162.5 | 150.3 | -27.3 | -113.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 334 | S | 29.8 | Very low | 28 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | -87.5 | 150.9 | 155.7 | -164.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 335 | P | 40.8 | Very low | 27.9 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | | -136.6 | -169.1 | 86.7 | 31.1 | -9.5 | 0 | 0 | 0 | 110.6 | | |
| 336 | V | 23.5 | Very low | 27.6 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | | | cis | -145.9 | 151.9 | 22.9 | 177 | 0 | 0 | 0 | 0 | 109.9 | | |
| 337 | C | 24.3 | Very low | 27.5 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | | | trans | -94.4 | 136.8 | 168.9 | -60.7 | 0 | 0 | 0 | 0 | 112 | | |
| 338 | A | 27.1 | Very low | 27 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -132.2 | 100.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 339 | Q | 25.1 | Very low | 27 | Very low | 186 Ų | 186 | 128 Ų | 128 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | | 85.7 | 105.9 | 76.2 | -171 | 170.8 | 27 | 0 | 0 | 111.3 | | |
| 340 | L | 27.7 | Very low | 27 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 67% | 0.665 | 79% | 0.786 | S | S | * | * | | | trans | -81.8 | 147.4 | 173.4 | -175.8 | 73.1 | 0 | 0 | 0 | 109.9 | D342 | L340-D342 WeakPolarHBondContact CD2-OD1 3.49Š|
| 341 | P | 28.2 | Very low | 27.1 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | -100.3 | 113.2 | 151.8 | 32.6 | -24.3 | 0 | 0 | 0 | 110 | | |
| 342 | D | 22.9 | Very low | 27.1 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | | | trans | -69.9 | 152.4 | 168.4 | -72.6 | -69.6 | 0 | 0 | 0 | 111.4 | L340 | L340-D342 WeakPolarHBondContact CD2-OD1 3.49Š|
| 343 | A | 26.6 | Very low | 27.2 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | | | trans | -138.1 | 103.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 344 | T | 24.7 | Very low | 27.5 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | | | trans | -88 | 126 | -177.2 | -47.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 345 | S | 24.5 | Very low | 27.4 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | 172.6 | 152.8 | 157.8 | 33.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 346 | A | 26 | Very low | 27 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | cis | -152.2 | 172.5 | -16.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 347 | Y | 27.9 | Very low | 27.5 | Very low | 201 Ų | 201 | 132 Ų | 132 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | | | trans | -66.3 | 141.9 | -176.7 | -150.9 | -107.7 | 0 | 0 | 0 | 113.4 | | |
| 348 | S | 25.5 | Very low | 27.7 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -167.4 | 99.6 | 157.6 | -80.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 349 | D | 29.5 | Very low | 28.2 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 67% | 0.674 | 79% | 0.791 | S | S | * | * | | | trans | -89 | 120.9 | 164.6 | -84.6 | -56 | 0 | 0 | 0 | 110.3 | | |
| 350 | Q | 29.5 | Very low | 28.4 | Very low | 184 Ų | 184 | 129.5 Ų | 129.5 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -152.6 | 90.4 | 153.7 | -158.2 | 116.5 | 70.7 | 0 | 0 | 113.1 | | |
| 351 | Q | 28.6 | Very low | 28.4 | Very low | 168 Ų | 168 | 128 Ų | 128 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | 34.3 | 123.1 | 146.1 | -62.6 | -166.5 | 6.8 | 0 | 0 | 122.5 | | |
| 352 | V | 28.4 | Very low | 29 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | | 61.9 | 110.6 | 126.5 | -175 | 0 | 0 | 0 | 0 | 119.3 | | |
| 353 | S | 27 | Very low | 29.8 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | | | | -142.7 | 133.7 | 123.3 | -171.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 354 | G | 30.7 | Very low | 30.5 | Very low | 52 Ų | 52 | 136.8 Ų | 136.8 | 54% | 0.536 | 79% | 0.793 | S | S | . | * | | | trans | -92.8 | 152.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 355 | N | 27.3 | Very low | 31.4 | Very low | 161 Ų | 161 | 136 Ų | 136 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | | | trans | 156.6 | 61.8 | 138.1 | -76.8 | -20.5 | 0 | 0 | 0 | 113 | | |
| 356 | T | 31.7 | Very low | 32.8 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | | | trans | -139.8 | 86 | 170.8 | -44.1 | 0 | 0 | 0 | 0 | 112 | S358 | T356-S358 PolarHBondContact O-N 3.01Š|
| 357 | P | 33.8 | Very low | 35.1 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | | | trans | -70.8 | 106.4 | 163.6 | 29.2 | -31 | 0 | 0 | 0 | 109 | | |
| 358 | S | 28.3 | Very low | 37.3 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | trans | -65.6 | 144.4 | 176 | -171.2 | 0 | 0 | 0 | 0 | 111.3 | T356 A360 | T356-S358 PolarHBondContact O-N 3.01Å; S358-A360 PolarHBondContact O-N 2.74Å |
| 359 | L | 37.6 | Very low | 39.7 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | | | trans | -66.5 | 98.6 | 173.5 | -76.1 | 165.6 | 0 | 0 | 0 | 110.2 | | |
| 360 | A | 30.6 | Very low | 42.2 | Very low | 79 Ų | 79 | 130 Ų | 130 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | | | trans | -112.1 | 135.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | S358 | S358-A360 PolarHBondContact O-N 2.74Š|
| 361 | S | 27.8 | Very low | 44.8 | Very low | 97 Ų | 97 | 123.2 Ų | 123.2 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | | | trans | 41.2 | 92.7 | 162.9 | 56.8 | 0 | 0 | 0 | 0 | 118 | D363 | S361-D363 VanDerWaalsContact C-N 3.25Å; S361-D363 PolarHBondContact O-N 3.35Å |
| 362 | F | 39.6 | Very low | 47.5 | Very low | 207 Ų | 207 | 120.2 Ų | 120.2 | 91% | 0.908 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -70.6 | 84.3 | 150.6 | -78 | -83 | 0 | 0 | 0 | 109.6 | | |
| 363 | D | 40.7 | Very low | 50.2 | Low | 162 Ų | 162 | 116.4 Ų | 116.4 | 87% | 0.866 | 70% | 0.695 | S | S | * | * | | | trans | -165.6 | 62.1 | 160.3 | -95.8 | -32.2 | 0 | 0 | 0 | 109.5 | S361 | S361-D363 VanDerWaalsContact C-N 3.25Å; S361-D363 PolarHBondContact O-N 3.35Å |
| 364 | Q | 40.6 | Very low | 53.3 | Low | 168 Ų | 168 | 115.4 Ų | 115.4 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -131.6 | 145.7 | 165.1 | -74.4 | -165 | -5.3 | 0 | 0 | 109.9 | A366 | Q364-A366 PolarHBondContact O-N 3.31Š|
| 365 | P | 44 | Very low | 56.2 | Low | 121 Ų | 121 | 118 Ų | 118 | 79% | 0.786 | 68% | 0.68 | S | S | * | * | | | trans | -63.9 | 119 | 171.2 | 27.7 | -33.1 | 0 | 0 | 0 | 108.9 | T367 | P365-T367 PolarHBondContact O-N 3.02Š|
| 366 | A | 53.3 | Low | 59.2 | Low | 81 Ų | 81 | 115.5 Ų | 115.5 | 67% | 0.669 | 66% | 0.663 | S | S | * | * | | | trans | -62.1 | 110.4 | -179 | 0 | 0 | 0 | 0 | 0 | 110 | Q364 | Q364-A366 PolarHBondContact O-N 3.31Š|
| 367 | T | 74.9 | Confident | 62.1 | Low | 80 Ų | 80 | 112.9 Ų | 112.9 | 49% | 0.491 | 64% | 0.644 | S | S | . | * | | | trans | -62.4 | 150.2 | 173.9 | 57.9 | 0 | 0 | 0 | 0 | 109.9 | P365 Q369 T370 A371 | P365-T367 PolarHBondContact O-N 3.02Å; T367-Q369 PolarHBondContact O-N 2.94Å; T367-Q369 VanDerWaalsContact O-N 3.1Å; T367-T370 WeakPolarHBondContact O-CB 3.43Å; T367-T370 PolarHBondContact O-N 2.93Å; T367-T370 PolarHBondContact OG1-OG1 3.44Å; T367-T370 VanDerWaalsContact OG1-OG1 3.12Å; T367-A371 PolarHBondContact O-N 2.97Å; T367-A371 VanDerWaalsContact O-N 3.12Å |
| 368 | I | 74.3 | Confident | 65 | Low | 143 Ų | 143 | 110.8 Ų | 110.8 | 73% | 0.733 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -56.4 | -32.5 | -177.6 | -61.9 | 171.3 | 0 | 0 | 0 | 111 | A371 M372 | I368-A371 PolarHBondContact O-N 3.14Å; I368-M372 HydrophobicContact CG2-CG 4.28Å; I368-M372 WeakPolarHBondContact O-CB 3.39Å; I368-M372 WeakPolarHBondContact O-CG 3.41Å; I368-M372 PolarHBondContact O-N 3.28Å |
| 369 | Q | 75.7 | Confident | 68.1 | Low | 162 Ų | 162 | 115.2 Ų | 115.2 | 76% | 0.757 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.7 | -41.1 | 174.4 | -66.2 | 177.3 | -8.9 | 0 | 0 | 113 | T367 M372 A373 | T367-Q369 PolarHBondContact O-N 2.94Å; T367-Q369 VanDerWaalsContact O-N 3.1Å; Q369-M372 WeakPolarHBondContact O-CB 3.25Å; Q369-M372 PolarHBondContact O-N 2.91Å; Q369-A373 WeakPolarHBondContact O-CB 3.48Å; Q369-A373 PolarHBondContact O-N 2.86Å |
| 370 | T | 82.8 | Confident | 70.7 | Confident | 70 Ų | 70 | 113.5 Ų | 113.5 | 43% | 0.429 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.9 | -40.4 | 174.8 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | T367 A373 I374 | T367-T370 WeakPolarHBondContact O-CB 3.43Å; T367-T370 PolarHBondContact O-N 2.93Å; T367-T370 PolarHBondContact OG1-OG1 3.44Å; T367-T370 VanDerWaalsContact OG1-OG1 3.12Å; T370-A373 PolarHBondContact O-N 3.31Å; T370-I374 HydrophobicContact CG2-CD1 4.15Å; T370-I374 VanDerWaalsContact O-CG1 3.32Å; T370-I374 WeakPolarHBondContact O-CG1 3.43Å; T370-I374 PolarHBondContact O-N 3.46Å |
| 371 | A | 82.8 | Confident | 73.6 | Confident | 41 Ų | 41 | 115.1 Ų | 115.1 | 34% | 0.339 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.6 | -41.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | T367 I368 I374 L375 | T367-A371 PolarHBondContact O-N 2.97Å; T367-A371 VanDerWaalsContact O-N 3.12Å; I368-A371 PolarHBondContact O-N 3.14Å; A371-I374 PolarHBondContact O-N 2.92Å; A371-L375 WeakPolarHBondContact O-CB 3.21Å; A371-L375 VanDerWaalsContact O-CG 3.3Å; A371-L375 WeakPolarHBondContact O-CG 3.41Å; A371-L375 PolarHBondContact O-N 2.8Å |
| 372 | M | 86.3 | Confident | 76.6 | Confident | 106 Ų | 106 | 115.1 Ų | 115.1 | 52% | 0.522 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.7 | -44.9 | 173.6 | -73.2 | -96.9 | -77.9 | 0 | 0 | 111.9 | I368 Q369 I374 L375 Q376 | I368-M372 HydrophobicContact CG2-CG 4.28Å; I368-M372 WeakPolarHBondContact O-CB 3.39Å; I368-M372 WeakPolarHBondContact O-CG 3.41Å; I368-M372 PolarHBondContact O-N 3.28Å; Q369-M372 WeakPolarHBondContact O-CB 3.25Å; Q369-M372 PolarHBondContact O-N 2.91Å; M372-I374 PolarHBondContact O-N 3.21Å; M372-L375 PolarHBondContact O-N 3.1Å; M372-Q376 WeakPolarHBondContact O-CB 3.48Å; M372-Q376 VanDerWaalsContact O-CG 3.29Å; M372-Q376 WeakPolarHBondContact O-CG 3.44Å; M372-Q376 PolarHBondContact O-N 3.2Å |
| 373 | A | 83.8 | Confident | 78.8 | Confident | 53 Ų | 53 | 110 Ų | 110 | 44% | 0.438 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.5 | -43.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q369 T370 L375 Q376 D377 | Q369-A373 WeakPolarHBondContact O-CB 3.48Å; Q369-A373 PolarHBondContact O-N 2.86Å; T370-A373 PolarHBondContact O-N 3.31Å; A373-L375 VanDerWaalsContact C-N 3.34Å; A373-L375 PolarHBondContact O-N 3.04Å; A373-Q376 PolarHBondContact O-N 3.31Å; A373-D377 PolarHBondContact O-N 3.07Å |
| 374 | I | 92.1 | Very high | 80.8 | Confident | 104 Ų | 104 | 104.9 Ų | 104.9 | 53% | 0.533 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.1 | -39.3 | 175.5 | -67.3 | 164.3 | 0 | 0 | 0 | 111.3 | T370 A371 M372 Q376 L378 | T370-I374 HydrophobicContact CG2-CD1 4.15Å; T370-I374 VanDerWaalsContact O-CG1 3.32Å; T370-I374 WeakPolarHBondContact O-CG1 3.43Å; T370-I374 PolarHBondContact O-N 3.46Å; A371-I374 PolarHBondContact O-N 2.92Å; M372-I374 PolarHBondContact O-N 3.21Å; I374-Q376 VanDerWaalsContact C-N 3.34Å; I374-L378 VanDerWaalsContact O-CB 3.25Å; I374-L378 WeakPolarHBondContact O-CB 3.49Å; I374-L378 PolarHBondContact O-N 2.84Å |
| 375 | L | 92.4 | Very high | 82.9 | Confident | 105 Ų | 105 | 98.7 Ų | 98.7 | 55% | 0.55 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.2 | -27.9 | 176.3 | -71.2 | 170.1 | 0 | 0 | 0 | 113.1 | A371 M372 A373 R379 | A371-L375 WeakPolarHBondContact O-CB 3.21Å; A371-L375 VanDerWaalsContact O-CG 3.3Å; A371-L375 WeakPolarHBondContact O-CG 3.41Å; A371-L375 PolarHBondContact O-N 2.8Å; M372-L375 PolarHBondContact O-N 3.1Å; A373-L375 VanDerWaalsContact C-N 3.34Å; A373-L375 PolarHBondContact O-N 3.04Å; L375-R379 WeakPolarHBondContact O-CB 3.49Å; L375-R379 WeakPolarHBondContact O-CG 3.38Å; L375-R379 PolarHBondContact O-N 3.19Å; L375-R379 VanDerWaalsContact O-N 3.1Å |
| 376 | Q | 89.9 | Confident | 84.7 | Confident | 110 Ų | 110 | 97.7 Ų | 97.7 | 51% | 0.514 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -74.3 | -46.7 | 173.4 | -74.1 | 172.3 | 0.9 | 0 | 0 | 111.5 | M372 A373 I374 R379 Q380 | M372-Q376 WeakPolarHBondContact O-CB 3.48Å; M372-Q376 VanDerWaalsContact O-CG 3.29Å; M372-Q376 WeakPolarHBondContact O-CG 3.44Å; M372-Q376 PolarHBondContact O-N 3.2Å; A373-Q376 PolarHBondContact O-N 3.31Å; I374-Q376 VanDerWaalsContact C-N 3.34Å; Q376-R379 WeakPolarHBondContact O-CB 3.36Å; Q376-R379 PolarHBondContact O-N 3.26Å; Q376-Q380 WeakPolarHBondContact O-CG 3.47Å; Q376-Q380 PolarHBondContact O-N 3.18Å |
| 377 | D | 93.8 | Very high | 85.9 | Confident | 78 Ų | 78 | 98.9 Ų | 98.9 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.5 | -48.8 | 172 | 172.5 | 41.4 | 0 | 0 | 0 | 111.1 | A373 R379 Q380 Q381 | A373-D377 PolarHBondContact O-N 3.07Å; D377-R379 VanDerWaalsContact C-N 3.29Å; D377-R379 PolarHBondContact O-N 3.2Å; D377-Q380 WeakPolarHBondContact O-CB 3.33Å; D377-Q380 PolarHBondContact O-N 3.31Å; D377-Q381 WeakPolarHBondContact O-CG 3.34Å; D377-Q381 PolarHBondContact O-N 3.45Å; D377-Q381 PolarHBondContact OD1-NE2 2.92Å; D377-Q381 PolarHBondContact OD2-NE2 2.92Å |
| 378 | L | 94.8 | Very high | 85.8 | Confident | 84 Ų | 84 | 101.6 Ų | 101.6 | 44% | 0.44 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.4 | -37.9 | 176.2 | -176.6 | 61.8 | 0 | 0 | 0 | 112.6 | I374 I382 | I374-L378 VanDerWaalsContact O-CB 3.25Å; I374-L378 WeakPolarHBondContact O-CB 3.49Å; I374-L378 PolarHBondContact O-N 2.84Å; L378-I382 HydrophobicContact CD1-CD1 4.19Å; L378-I382 HydrophobicContact CD1-CG1 4.45Å; L378-I382 HydrophobicContact CG-CD1 4Å; L378-I382 WeakPolarHBondContact O-CB 3.37Å; L378-I382 WeakPolarHBondContact O-CD1 3.22Å; L378-I382 WeakPolarHBondContact O-CG1 3.45Å; L378-I382 PolarHBondContact O-N 2.94Å |
| 379 | R | 92.4 | Very high | 85.5 | Confident | 196 Ų | 196 | 97.5 Ų | 97.5 | 74% | 0.74 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.9 | -42.4 | 172.4 | -87.8 | 176.7 | 166.4 | -98.1 | 2.8 | 112.2 | L375 Q376 D377 I382 Q383 | L375-R379 WeakPolarHBondContact O-CB 3.49Å; L375-R379 WeakPolarHBondContact O-CG 3.38Å; L375-R379 PolarHBondContact O-N 3.19Å; L375-R379 VanDerWaalsContact O-N 3.1Å; Q376-R379 WeakPolarHBondContact O-CB 3.36Å; Q376-R379 PolarHBondContact O-N 3.26Å; D377-R379 VanDerWaalsContact C-N 3.29Å; D377-R379 PolarHBondContact O-N 3.2Å; R379-I382 PolarHBondContact O-N 3.42Å; R379-Q383 WeakPolarHBondContact O-CB 3.43Å; R379-Q383 PolarHBondContact O-N 2.8Å |
| 380 | Q | 92.1 | Very high | 84.6 | Confident | 136 Ų | 136 | 96.6 Ų | 96.6 | 64% | 0.636 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.8 | -41.7 | 177.5 | -69.5 | 173 | 14.6 | 0 | 0 | 111.5 | Q376 D377 Q383 A384 | Q376-Q380 WeakPolarHBondContact O-CG 3.47Å; Q376-Q380 PolarHBondContact O-N 3.18Å; D377-Q380 WeakPolarHBondContact O-CB 3.33Å; D377-Q380 PolarHBondContact O-N 3.31Å; Q380-Q383 PolarHBondContact O-N 2.94Å; Q380-A384 WeakPolarHBondContact O-CB 3.46Å; Q380-A384 PolarHBondContact O-N 3.28Å |
| 381 | Q | 91.9 | Very high | 83.2 | Confident | 114 Ų | 114 | 97 Ų | 97 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 175.1 | -68.5 | 178.7 | 26.6 | 0 | 0 | 112.5 | D377 G385 | D377-Q381 WeakPolarHBondContact O-CG 3.34Å; D377-Q381 PolarHBondContact O-N 3.45Å; D377-Q381 PolarHBondContact OD1-NE2 2.92Å; D377-Q381 PolarHBondContact OD2-NE2 2.92Å; Q381-G385 PolarHBondContact O-N 2.92Å |
| 382 | I | 89.8 | Confident | 81.7 | Confident | 96 Ų | 96 | 105.3 Ų | 105.3 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | 174.2 | -71 | 166.2 | 0 | 0 | 0 | 110.7 | L378 R379 G385 L386 | L378-I382 HydrophobicContact CD1-CD1 4.19Å; L378-I382 HydrophobicContact CD1-CG1 4.45Å; L378-I382 HydrophobicContact CG-CD1 4Å; L378-I382 WeakPolarHBondContact O-CB 3.37Å; L378-I382 WeakPolarHBondContact O-CD1 3.22Å; L378-I382 WeakPolarHBondContact O-CG1 3.45Å; L378-I382 PolarHBondContact O-N 2.94Å; R379-I382 PolarHBondContact O-N 3.42Å; I382-G385 PolarHBondContact O-N 3.35Å; I382-L386 HydrophobicContact CG2-CD1 4.04Å; I382-L386 WeakPolarHBondContact O-CG 3.41Å; I382-L386 PolarHBondContact O-N 3.47Å |
| 383 | Q | 87.1 | Confident | 80 | Confident | 99 Ų | 99 | 109.4 Ų | 109.4 | 46% | 0.463 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.5 | -49.2 | 178.2 | -176.3 | 60.1 | 29.3 | 0 | 0 | 111.7 | R379 Q380 G385 L386 E387 | R379-Q383 WeakPolarHBondContact O-CB 3.43Å; R379-Q383 PolarHBondContact O-N 2.8Å; Q380-Q383 PolarHBondContact O-N 2.94Å; Q383-G385 VanDerWaalsContact C-N 3.28Å; Q383-G385 PolarHBondContact O-N 3.32Å; Q383-L386 WeakPolarHBondContact O-CB 3.42Å; Q383-L386 PolarHBondContact O-N 2.87Å; Q383-L386 VanDerWaalsContact O-N 3.12Å; Q383-E387 WeakPolarHBondContact CG-OE1 3.5Å; Q383-E387 PolarHBondContact NE2-OE1 2.91Å; Q383-E387 WeakPolarHBondContact O-CG 3.31Å; Q383-E387 PolarHBondContact O-N 2.9Å |
| 384 | A | 82.5 | Confident | 78.1 | Confident | 55 Ų | 55 | 110.2 Ų | 110.2 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.9 | -36.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q380 E387 L388 | Q380-A384 WeakPolarHBondContact O-CB 3.46Å; Q380-A384 PolarHBondContact O-N 3.28Å; A384-E387 PolarHBondContact O-N 3.34Å; A384-L388 WeakPolarHBondContact O-CB 3.35Å; A384-L388 PolarHBondContact O-N 2.78Å |
| 385 | G | 84.8 | Confident | 75.7 | Confident | 39 Ų | 39 | 108.1 Ų | 108.1 | 40% | 0.402 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.3 | -36.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q381 I382 Q383 A389 | Q381-G385 PolarHBondContact O-N 2.92Å; I382-G385 PolarHBondContact O-N 3.35Å; Q383-G385 VanDerWaalsContact C-N 3.28Å; Q383-G385 PolarHBondContact O-N 3.32Å; G385-A389 WeakPolarHBondContact O-CB 3.34Å; G385-A389 PolarHBondContact O-N 3.18Å |
| 386 | L | 80.9 | Confident | 73 | Confident | 99 Ų | 99 | 111.8 Ų | 111.8 | 52% | 0.518 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.4 | -43 | 173.4 | -74.6 | 167.9 | 0 | 0 | 0 | 111.5 | I382 Q383 A389 Q390 | I382-L386 HydrophobicContact CG2-CD1 4.04Å; I382-L386 WeakPolarHBondContact O-CG 3.41Å; I382-L386 PolarHBondContact O-N 3.47Å; Q383-L386 WeakPolarHBondContact O-CB 3.42Å; Q383-L386 PolarHBondContact O-N 2.87Å; Q383-L386 VanDerWaalsContact O-N 3.12Å; L386-A389 CarbonylContact O-C 2.96Å; L386-A389 WeakPolarHBondContact O-CB 3.48Å; L386-A389 PolarHBondContact O-N 2.91Å; L386-Q390 WeakPolarHBondContact O-CB 3.41Å; L386-Q390 PolarHBondContact O-N 3.12Å |
| 387 | E | 79.8 | Confident | 70.9 | Confident | 106 Ų | 106 | 115.1 Ų | 115.1 | 50% | 0.495 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.9 | -41 | 176 | -73.4 | 167.8 | -163.7 | 0 | 0 | 111.7 | Q383 A384 A389 Q390 A391 | Q383-E387 WeakPolarHBondContact CG-OE1 3.5Å; Q383-E387 PolarHBondContact NE2-OE1 2.91Å; Q383-E387 WeakPolarHBondContact O-CG 3.31Å; Q383-E387 PolarHBondContact O-N 2.9Å; A384-E387 PolarHBondContact O-N 3.34Å; E387-A389 VanDerWaalsContact C-N 3.31Å; E387-A389 PolarHBondContact O-N 3.49Å; E387-Q390 PolarHBondContact O-N 2.83Å; E387-A391 WeakPolarHBondContact O-CB 3.5Å; E387-A391 PolarHBondContact O-N 2.97Å |
| 388 | L | 72.4 | Confident | 68.2 | Low | 138 Ų | 138 | 119.5 Ų | 119.5 | 72% | 0.723 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.3 | -37.8 | 172.9 | -155.8 | 86.5 | 0 | 0 | 0 | 112 | A384 R392 | A384-L388 WeakPolarHBondContact O-CB 3.35Å; A384-L388 PolarHBondContact O-N 2.78Å; L388-R392 WeakPolarHBondContact O-CB 3.43Å; L388-R392 PolarHBondContact O-N 3.01Å |
| 389 | A | 66.5 | Low | 65.2 | Low | 56 Ų | 56 | 118.8 Ų | 118.8 | 46% | 0.463 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -72.1 | -32.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G385 L386 E387 R392 K393 | G385-A389 WeakPolarHBondContact O-CB 3.34Å; G385-A389 PolarHBondContact O-N 3.18Å; L386-A389 CarbonylContact O-C 2.96Å; L386-A389 WeakPolarHBondContact O-CB 3.48Å; L386-A389 PolarHBondContact O-N 2.91Å; E387-A389 VanDerWaalsContact C-N 3.31Å; E387-A389 PolarHBondContact O-N 3.49Å; A389-R392 PolarHBondContact O-N 3.47Å; A389-K393 PolarHBondContact O-N 3.41Å |
| 390 | Q | 58.1 | Low | 62.4 | Low | 143 Ų | 143 | 115.5 Ų | 115.5 | 67% | 0.668 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.2 | -41.5 | 177.7 | -171 | 165.9 | -5.8 | 0 | 0 | 111.5 | L386 E387 R392 K393 G394 | L386-Q390 WeakPolarHBondContact O-CB 3.41Å; L386-Q390 PolarHBondContact O-N 3.12Å; E387-Q390 PolarHBondContact O-N 2.83Å; Q390-R392 VanDerWaalsContact C-N 3.26Å; Q390-R392 PolarHBondContact O-N 3.26Å; Q390-K393 WeakPolarHBondContact O-CA 3.23Å; Q390-K393 WeakPolarHBondContact O-CB 3.16Å; Q390-K393 PolarHBondContact O-N 3.24Å; Q390-G394 PolarHBondContact O-N 3.46Å |
| 391 | A | 52.2 | Low | 59.5 | Low | 78 Ų | 78 | 114.3 Ų | 114.3 | 65% | 0.645 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -56.9 | -41.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E387 K393 G394 | E387-A391 WeakPolarHBondContact O-CB 3.5Å; E387-A391 PolarHBondContact O-N 2.97Å; A391-K393 PolarHBondContact O-N 3.47Å; A391-G394 PolarHBondContact O-N 2.99Å; A391-G394 VanDerWaalsContact O-N 3.17Å |
| 392 | R | 52.5 | Low | 56.9 | Low | 217 Ų | 217 | 119 Ų | 119 | 82% | 0.819 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -17.9 | 174.2 | -163.5 | 174.1 | -175.1 | -179.1 | 2.3 | 113.8 | L388 A389 Q390 | L388-R392 WeakPolarHBondContact O-CB 3.43Å; L388-R392 PolarHBondContact O-N 3.01Å; A389-R392 PolarHBondContact O-N 3.47Å; Q390-R392 VanDerWaalsContact C-N 3.26Å; Q390-R392 PolarHBondContact O-N 3.26Å |
| 393 | K | 49.2 | Very low | 54 | Low | 191 Ų | 191 | 125.8 Ų | 125.8 | 83% | 0.83 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -8.8 | 175.5 | -122.8 | -173.6 | 179.5 | -170.5 | 0 | 114.1 | A389 Q390 A391 G395 | A389-K393 PolarHBondContact O-N 3.41Å; Q390-K393 WeakPolarHBondContact O-CA 3.23Å; Q390-K393 WeakPolarHBondContact O-CB 3.16Å; Q390-K393 PolarHBondContact O-N 3.24Å; A391-K393 PolarHBondContact O-N 3.47Å; K393-G395 VanDerWaalsContact C-N 3.32Å |
| 394 | G | 45.2 | Very low | 51.1 | Low | 70 Ų | 70 | 131.1 Ų | 131.1 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -80.6 | -10 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q390 A391 Q396 | Q390-G394 PolarHBondContact O-N 3.46Å; A391-G394 PolarHBondContact O-N 2.99Å; A391-G394 VanDerWaalsContact O-N 3.17Å; G394-Q396 PolarHBondContact O-N 3.2Å |
| 395 | G | 40.8 | Very low | 48.7 | Very low | 60 Ų | 60 | 136.1 Ų | 136.1 | 62% | 0.619 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -73.7 | 116 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | K393 | K393-G395 VanDerWaalsContact C-N 3.32Š|
| 396 | Q | 35.9 | Very low | 46 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 150.7 | -168.7 | -171.1 | 173 | 4.1 | 0 | 0 | 115 | G394 L398 | G394-Q396 PolarHBondContact O-N 3.2Å; Q396-L398 PolarHBondContact O-N 3.41Å |
| 397 | E | 46.2 | Very low | 43.7 | Very low | 181 Ų | 181 | 144.6 Ų | 144.6 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 116 | 171.9 | -60.6 | 175 | 109.9 | 0 | 0 | 112.6 | | |
| 398 | L | 37.1 | Very low | 41.4 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | | | trans | -138.7 | 98.3 | 153.5 | -75.9 | -179.3 | 0 | 0 | 0 | 109 | Q396 | Q396-L398 PolarHBondContact O-N 3.41Š|
| 399 | G | 31.7 | Very low | 39.4 | Very low | 69 Ų | 69 | 144.3 Ų | 144.3 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | trans | -75.2 | 130.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S401 | G399-S401 PolarHBondContact O-N 3.19Š|
| 400 | P | 34.4 | Very low | 37.6 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | | | trans | -73.9 | 95.8 | 175.2 | 29.7 | -33.6 | 0 | 0 | 0 | 110.6 | K402 | P400-K402 PolarHBondContact O-N 3.38Š|
| 401 | S | 31.2 | Very low | 36.2 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | -68.6 | 123.2 | 175.4 | 55.1 | 0 | 0 | 0 | 0 | 110.9 | G399 R403 | G399-S401 PolarHBondContact O-N 3.19Å; S401-R403 PolarHBondContact O-N 3.44Å |
| 402 | K | 37.3 | Very low | 34.9 | Very low | 211 Ų | 211 | 149.5 Ų | 149.5 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | | | trans | -71.5 | 94.4 | -179.7 | -66.5 | 179.2 | -179 | 176.4 | 0 | 110.7 | P400 | P400-K402 PolarHBondContact O-N 3.38Š|
| 403 | R | 27.8 | Very low | 33.7 | Very low | 240 Ų | 240 | 144.6 Ų | 144.6 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 133.6 | 162 | -105.8 | -177 | 174.3 | -173.1 | -2.3 | 110.2 | S401 | S401-R403 PolarHBondContact O-N 3.44Š|
| 404 | R | 27.3 | Very low | 32.5 | Very low | 211 Ų | 211 | 142 Ų | 142 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 145.3 | 168.8 | -76.3 | -179 | 166.8 | -160.7 | -3.2 | 109.7 | | |
| 405 | L | 30.5 | Very low | 31.6 | Very low | 160 Ų | 160 | 150.2 Ų | 150.2 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74 | 133.5 | 147.3 | -88.3 | 73.8 | 0 | 0 | 0 | 108 | | |
| 406 | Q | 29.9 | Very low | 30.8 | Very low | 156 Ų | 156 | 154.8 Ų | 154.8 | 73% | 0.729 | 83% | 0.833 | S | S | * | * | | | trans | -131.2 | 129.7 | 151.7 | -79.3 | -178.8 | -66.2 | 0 | 0 | 106 | V408 | Q406-V408 PolarHBondContact O-N 3.17Š|
| 407 | D | 31.1 | Very low | 30.8 | Very low | 159 Ų | 159 | 151.7 Ų | 151.7 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | | | trans | -70.9 | 125.8 | 173.5 | -72.6 | -64.1 | 0 | 0 | 0 | 110.2 | | |
| 408 | V | 32.8 | Very low | 29.8 | Very low | 143 Ų | 143 | 150.9 Ų | 150.9 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | | | trans | -135.5 | 136 | 153.1 | -178.2 | 0 | 0 | 0 | 0 | 106.9 | Q406 | Q406-V408 PolarHBondContact O-N 3.17Š|
| 409 | A | 30.4 | Very low | 29.4 | Very low | 96 Ų | 96 | 146.7 Ų | 146.7 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | | | trans | -81.1 | 173.1 | -169 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 410 | G | 27.9 | Very low | 29.2 | Very low | 72 Ų | 72 | 152.1 Ų | 152.1 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | | | | 89.1 | 51.6 | 129.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 411 | R | 29 | Very low | 28.7 | Very low | 233 Ų | 233 | 151.3 Ų | 151.3 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | | | trans | 32.5 | 99.9 | 134.2 | -173.5 | -161.1 | -60.6 | -88.6 | 1.9 | 116.9 | | |
| 412 | G | 24.8 | Very low | 28.5 | Very low | 80 Ų | 80 | 150.5 Ų | 150.5 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | | | trans | -127.3 | 131.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 413 | C | 27.3 | Very low | 28 | Very low | 115 Ų | 115 | 149.8 Ų | 149.8 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | | | trans | -102.2 | 141.6 | -174 | -60 | 0 | 0 | 0 | 0 | 112 | | |
| 414 | C | 24.3 | Very low | 27.8 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 92% | 0.919 | 81% | 0.805 | S | S | * | * | | | trans | -65.1 | 145.7 | 159.4 | -58 | 0 | 0 | 0 | 0 | 109.8 | | |
| 415 | R | 25.7 | Very low | 27.7 | Very low | 243 Ų | 243 | 142 Ų | 142 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | | | trans | -141.6 | 130.3 | 173.4 | -166.5 | -177.6 | -169.2 | -158.4 | 1.9 | 109.1 | | |
| 416 | D | 24.4 | Very low | 27.3 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | | | trans | -75.1 | 161.8 | -178.6 | -74.6 | -59.7 | 0 | 0 | 0 | 113.2 | | |
| 417 | P | 36.6 | Very low | 27.6 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | | | trans | -104.4 | 150.9 | -145.2 | 37.6 | -35.5 | 0 | 0 | 0 | 115.7 | | |
| 418 | N | 25.5 | Very low | 27.2 | Very low | 163 Ų | 163 | 141.4 Ų | 141.4 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | | | trans | -164.1 | 163.7 | 142.1 | -140.2 | -29.8 | 0 | 0 | 0 | 112.5 | | |
| 419 | A | 27.3 | Very low | 26.8 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | | | trans | 59.5 | 113.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 420 | Q | 27 | Very low | 26.7 | Very low | 183 Ų | 183 | 141.9 Ų | 141.9 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | | 89.7 | 142.1 | 61.1 | -86.2 | -165.5 | -17.4 | 0 | 0 | 114.7 | | |
| 421 | S | 24.7 | Very low | 26.6 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | | | trans | 61 | 121.4 | -174.1 | 61.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 422 | S | 27.4 | Very low | 26.4 | Very low | 93 Ų | 93 | 138.6 Ų | 138.6 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | | | cis | 93.4 | 130.9 | 33.7 | -62.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 423 | F | 25.7 | Very low | 26.6 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | 68.9 | 149.4 | 174.2 | -47.7 | -63.6 | 0 | 0 | 0 | 115.1 | | |
| 424 | S | 25.5 | Very low | 26.7 | Very low | 99 Ų | 99 | 145 Ų | 145 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | cis | -160.3 | 162.6 | -12.4 | -112.8 | 0 | 0 | 0 | 0 | 111 | | |
| 425 | K | 24.2 | Very low | 26.9 | Very low | 188 Ų | 188 | 145.5 Ų | 145.5 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | | | trans | 27.6 | 115.1 | 154.5 | -71.3 | -179.2 | 175 | 178 | 0 | 120.4 | | |
| 426 | S | 22.2 | Very low | 27.2 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | | 17.5 | 155.9 | 109 | 69.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 427 | P | 36.7 | Very low | 27.4 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | | | cis | -142.6 | -162.6 | 15.8 | 42.2 | -20.8 | 0 | 0 | 0 | 115.8 | | |
| 428 | W | 23.2 | Very low | 26.9 | Very low | 241 Ų | 241 | 137.8 Ų | 137.8 | 91% | 0.913 | 74% | 0.74 | S | S | * | * | | | trans | -35.4 | 139.8 | 168.4 | -79.1 | 22.7 | 0 | 0 | 0 | 120.5 | | |
| 429 | A | 23.1 | Very low | 27 | Very low | 77 Ų | 77 | 136 Ų | 136 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | | | | 58.8 | 146.2 | 114.6 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 430 | M | 27.6 | Very low | 27.5 | Very low | 171 Ų | 171 | 142 Ų | 142 | 84% | 0.842 | 73% | 0.731 | S | S | * | * | | | trans | 66.4 | 170 | 161.2 | -57.6 | -125.9 | -72.1 | 0 | 0 | 114.6 | | |
| 431 | T | 26.4 | Very low | 27.6 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 63% | 0.632 | 72% | 0.723 | S | S | * | * | | | cis | -151.5 | 169.3 | 9.8 | -29.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 432 | E | 25.1 | Very low | 28.2 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 63% | 0.626 | 73% | 0.729 | S | S | * | * | | | trans | 66.6 | 148.5 | 156.1 | -61.1 | 176.1 | 179.5 | 0 | 0 | 119.4 | | |
| 433 | R | 28.2 | Very low | 28.1 | Very low | 198 Ų | 198 | 143 Ų | 143 | 75% | 0.747 | 73% | 0.727 | S | S | * | * | | | | 144.8 | 131 | 114.6 | -71.7 | -163.5 | 170.4 | 167.9 | 4.2 | 109.5 | | |
| 434 | K | 31.1 | Very low | 28 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 57% | 0.574 | 72% | 0.717 | S | S | * | * | | | cis | -169.5 | 153.1 | -0.8 | -123 | 173.2 | 174.7 | -144.6 | 0 | 109.6 | | |
| 435 | H | 28.6 | Very low | 28.2 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 68% | 0.676 | 72% | 0.718 | S | S | * | * | | | trans | 63.4 | 157.3 | 147.1 | -63.5 | -31.6 | 0 | 0 | 0 | 118 | | |
| 436 | S | 30.3 | Very low | 28.3 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 63% | 0.629 | 72% | 0.716 | S | S | * | * | | | cis | -164.4 | 175.1 | -16.2 | -103.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 437 | S | 29.6 | Very low | 28.4 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | | | trans | 69.2 | 124.7 | 155.6 | 28.7 | 0 | 0 | 0 | 0 | 117 | | |
| 438 | L | 26.8 | Very low | 28.3 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | | | | 71.1 | 120.9 | 67.1 | -157.5 | 74.4 | 0 | 0 | 0 | 109.1 | | |
| 439 | E | 27.4 | Very low | 28.6 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 59% | 0.593 | 70% | 0.699 | S | S | * | * | | | cis | -150.1 | 174.7 | 29.2 | -152.1 | 179.6 | -108.5 | 0 | 0 | 113.9 | | |
| 440 | R | 36.5 | Very low | 28.7 | Very low | 205 Ų | 205 | 144.2 Ų | 144.2 | 77% | 0.774 | 71% | 0.706 | S | S | * | * | | | trans | 72.7 | 80.5 | 155.7 | -135.1 | 164 | -69.7 | -164.8 | 1.5 | 115.1 | | |
| 441 | A | 30.4 | Very low | 28.5 | Very low | 82 Ų | 82 | 141 Ų | 141 | 68% | 0.678 | 70% | 0.7 | S | S | * | * | | | | 71.7 | 130.6 | 77.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 442 | R | 35.5 | Very low | 28.5 | Very low | 241 Ų | 241 | 141.7 Ų | 141.7 | 91% | 0.909 | 71% | 0.709 | S | S | * | * | | | cis | -159 | 155.8 | 0.5 | -98.8 | 158.3 | -169.8 | 174.9 | 4 | 106.7 | | |
| 443 | S | 25.6 | Very low | 28.5 | Very low | 87 Ų | 87 | 138.3 Ų | 138.3 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | | | cis | -162.9 | 135.4 | -14.5 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 444 | V | 24.8 | Very low | 28.3 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 66% | 0.661 | 69% | 0.694 | S | S | * | * | | | trans | 8.1 | 135 | 133 | -136.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 445 | H | 28.9 | Very low | 28.3 | Very low | 154 Ų | 154 | 132 Ų | 132 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | | | | -155.8 | 151 | 60.2 | -60.7 | -84.9 | 0 | 0 | 0 | 117.1 | | |
| 446 | T | 25.7 | Very low | 28.1 | Very low | 124 Ų | 124 | 134 Ų | 134 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | | | trans | 31.9 | 105 | 141.4 | -44.3 | 0 | 0 | 0 | 0 | 119.3 | | |
| 447 | W | 25.7 | Very low | 28 | Very low | 216 Ų | 216 | 135.2 Ų | 135.2 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | | | trans | -154.4 | 102.5 | 154.2 | -123 | -44.1 | 0 | 0 | 0 | 113.8 | P449 | W447-P449 PolarHBondContact NE1-O 3.25Š|
| 448 | E | 33.3 | Very low | 28 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 71% | 0.709 | S | S | * | * | | | | -112 | 147.5 | 124.3 | -147.4 | -146.4 | -110.9 | 0 | 0 | 104.7 | | |
| 449 | P | 30.3 | Very low | 28.1 | Very low | 63 Ų | 63 | 133.7 Ų | 133.7 | 41% | 0.409 | 70% | 0.704 | S | S | . | * | S | Bend | cis | -120.6 | -160.2 | -21.4 | 40.5 | -25.3 | 0 | 0 | 0 | 110.8 | W447 | W447-P449 PolarHBondContact NE1-O 3.25Š|
| 450 | W | 25.4 | Very low | 28.8 | Very low | 205 Ų | 205 | 132.1 Ų | 132.1 | 78% | 0.777 | 71% | 0.705 | S | S | * | * | | | trans | 53.5 | 126.4 | 155.4 | -68.4 | -38 | 0 | 0 | 0 | 121 | | |
| 451 | S | 24 | Very low | 28.2 | Very low | 102 Ų | 102 | 131 Ų | 131 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | | | | -169.8 | 156 | 106.2 | -83.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 452 | S | 25.9 | Very low | 28.1 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | | | cis | -75.9 | 121.6 | 16.4 | 38.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 453 | S | 25.3 | Very low | 27.6 | Very low | 62 Ų | 62 | 130.1 Ų | 130.1 | 43% | 0.434 | 71% | 0.705 | S | S | . | * | | | trans | -106.9 | 171.7 | 140.4 | 64 | 0 | 0 | 0 | 0 | 107.8 | | |
| 454 | T | 24.1 | Very low | 27.7 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 61% | 0.613 | 72% | 0.721 | S | S | * | * | | | trans | 68.3 | 154 | 172.7 | 73.1 | 0 | 0 | 0 | 0 | 115.5 | R456 | T454-R456 HydrophobicContact CG2-CB 3.98Å; T454-R456 HydrophobicContact CG2-CG 3.84Å |
| 455 | A | 30.4 | Very low | 27.7 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | | | cis | -48.6 | 141 | -5.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 456 | R | 25 | Very low | 27.5 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 71% | 0.709 | 73% | 0.73 | S | S | * | * | | | cis | 55.7 | 134.4 | 5.9 | -93.6 | -169.8 | 177.5 | -159.2 | 8.6 | 115.3 | T454 | T454-R456 HydrophobicContact CG2-CB 3.98Å; T454-R456 HydrophobicContact CG2-CG 3.84Å |
| 457 | E | 28.2 | Very low | 27.5 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 53% | 0.533 | 74% | 0.738 | S | S | . | * | | | cis | -165.1 | 143 | 33.2 | -150.1 | 149.7 | -156.5 | 0 | 0 | 111.5 | | |
| 458 | S | 28.8 | Very low | 27.5 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 179.1 | 127.7 | 147.4 | -83.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 459 | C | 28.1 | Very low | 27.2 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | | | cis | -148.8 | 151.6 | -39.6 | -126.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 460 | P | 42.9 | Very low | 27.1 | Very low | 94 Ų | 94 | 132.2 Ų | 132.2 | 61% | 0.61 | 74% | 0.742 | S | S | * | * | | | trans | -85.2 | 165.5 | -176.4 | 36.2 | -35.4 | 0 | 0 | 0 | 111.9 | | |
| 461 | Q | 23.9 | Very low | 27.1 | Very low | 182 Ų | 182 | 132.2 Ų | 132.2 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | | | | -151.9 | 157 | 117.9 | -150.9 | 61.2 | -39.8 | 0 | 0 | 112.4 | | |
| 462 | R | 27.9 | Very low | 27.5 | Very low | 225 Ų | 225 | 131 Ų | 131 | 85% | 0.849 | 73% | 0.734 | S | S | * | * | | | trans | -120.4 | 164.8 | 179.4 | -169.1 | -167.7 | -63.6 | -167.2 | 0.3 | 108.6 | | |
| 463 | A | 26.2 | Very low | 27.7 | Very low | 80 Ų | 80 | 134 Ų | 134 | 66% | 0.661 | 73% | 0.732 | S | S | * | * | | | trans | 113.8 | 107.9 | 146.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 464 | W | 27.8 | Very low | 27.7 | Very low | 249 Ų | 249 | 138.6 Ų | 138.6 | 94% | 0.943 | 75% | 0.747 | S | S | * | * | | | | 25.3 | 109.3 | 122.9 | -64.6 | 91.6 | 0 | 0 | 0 | 118.4 | | |
| 465 | G | 23.5 | Very low | 27.6 | Very low | 80 Ų | 80 | 144.9 Ų | 144.9 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | | | trans | -127.1 | 130.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 466 | A | 24.8 | Very low | 28.3 | Very low | 91 Ų | 91 | 144.8 Ų | 144.8 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | | | trans | -101.7 | 137.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 467 | Q | 25.4 | Very low | 28.2 | Very low | 196 Ų | 196 | 144.9 Ų | 144.9 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | | | trans | 54.7 | 109.7 | 140.3 | -169 | 170.3 | 31.9 | 0 | 0 | 119.1 | | |
| 468 | G | 25.3 | Very low | 28.2 | Very low | 69 Ų | 69 | 144.5 Ų | 144.5 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | -153.8 | 61.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 469 | Q | 28.6 | Very low | 29.2 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | | | trans | 65.4 | 154.5 | 160.3 | -53.2 | -175.9 | 94.8 | 0 | 0 | 115.9 | | |
| 470 | D | 27.8 | Very low | 29 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 68% | 0.684 | 76% | 0.757 | S | S | * | * | | | cis | -119.6 | 145 | 2.3 | -90.9 | -56.3 | 0 | 0 | 0 | 110.3 | | |
| 471 | R | 25.8 | Very low | 28.3 | Very low | 205 Ų | 205 | 148.6 Ų | 148.6 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | | | | 68.2 | 132.5 | 68.6 | -68.8 | -172.3 | 166.1 | -175.7 | -1.9 | 114.8 | | |
| 472 | S | 32.5 | Very low | 28.4 | Very low | 78 Ų | 78 | 150.3 Ų | 150.3 | 55% | 0.545 | 76% | 0.763 | S | S | . | * | | | cis | -176.6 | 154.1 | -6.8 | 48.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 473 | F | 28.6 | Very low | 28.3 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | | | trans | 73 | 144.1 | 158.4 | -54.7 | -50.5 | 0 | 0 | 0 | 118.4 | | |
| 474 | Q | 27 | Very low | 28.1 | Very low | 159 Ų | 159 | 146.7 Ų | 146.7 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | | | cis | -151.1 | 130.8 | -0.8 | -115.7 | 168.8 | 75 | 0 | 0 | 108.7 | | |
| 475 | R | 20.6 | Very low | 28.1 | Very low | 231 Ų | 231 | 142.8 Ų | 142.8 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | | | | 65.2 | 156.7 | 103.9 | -93.6 | -165.5 | -177.3 | 167.7 | 3.7 | 118.4 | | |
| 476 | P | 46.1 | Very low | 28.2 | Very low | 98 Ų | 98 | 148 Ų | 148 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | | | cis | -139.2 | -172.4 | -17.9 | 38.8 | -18.8 | 0 | 0 | 0 | 116.2 | | |
| 477 | E | 21.9 | Very low | 28.3 | Very low | 189 Ų | 189 | 148.4 Ų | 148.4 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | | | trans | 83.2 | 169.7 | 144.8 | -88.8 | 166.2 | 179.1 | 0 | 0 | 124.3 | | |
| 478 | S | 27.7 | Very low | 28.4 | Very low | 106 Ų | 106 | 147.6 Ų | 147.6 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | | | trans | -145.1 | -172 | -173.4 | 68.3 | 0 | 0 | 0 | 0 | 108 | | |
| 479 | P | 50 | Low | 29 | Very low | 102 Ų | 102 | 154.8 Ų | 154.8 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | | | cis | -143.1 | -163.6 | 11.1 | 26.5 | 2.9 | 0 | 0 | 0 | 116.6 | | |
| 480 | H | 24.9 | Very low | 29.3 | Very low | 150 Ų | 150 | 152.8 Ų | 152.8 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | | | trans | 83.7 | 107.5 | 161 | -73.1 | -74.6 | 0 | 0 | 0 | 123.1 | | |
| 481 | E | 27.4 | Very low | 29.2 | Very low | 160 Ų | 160 | 158 Ų | 158 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | | 36 | 140.2 | 121.2 | -58.1 | -177.5 | 100 | 0 | 0 | 123.8 | | |
| 482 | R | 25.7 | Very low | 29.2 | Very low | 218 Ų | 218 | 154.2 Ų | 154.2 | 82% | 0.823 | 77% | 0.77 | S | S | * | * | | | | 122.1 | 133.1 | 118.8 | -148.2 | -178.9 | -161.6 | 171.7 | 7.7 | 115.8 | | |
| 483 | L | 25.8 | Very low | 28.9 | Very low | 167 Ų | 167 | 154.8 Ų | 154.8 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | 62.6 | 165.8 | 171.1 | -71 | 148 | 0 | 0 | 0 | 114.3 | | |
| 484 | G | 22.3 | Very low | 29 | Very low | 61 Ų | 61 | 154.2 Ų | 154.2 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | | | cis | 177.6 | 167 | -8.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 485 | H | 28.3 | Very low | 29 | Very low | 168 Ų | 168 | 151.7 Ų | 151.7 | 78% | 0.778 | 79% | 0.79 | S | S | * | * | | | trans | -66 | 153.7 | 171.4 | -47.9 | -92 | 0 | 0 | 0 | 111.5 | | |
| 486 | F | 25.6 | Very low | 29.3 | Very low | 189 Ų | 189 | 144.4 Ų | 144.4 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | | | | 152.9 | 170.9 | 115.5 | -89 | -63.8 | 0 | 0 | 0 | 114.3 | | |
| 487 | S | 27.8 | Very low | 28.4 | Very low | 100 Ų | 100 | 149.1 Ų | 149.1 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | | | trans | 81.4 | 142.9 | 161.3 | 82.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 488 | Q | 27.2 | Very low | 28.5 | Very low | 178 Ų | 178 | 144.6 Ų | 144.6 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | cis | -154.4 | 156.9 | -15.7 | -121.8 | 169.2 | 48.5 | 0 | 0 | 110 | | |
| 489 | R | 36.6 | Very low | 28.4 | Very low | 220 Ų | 220 | 144.6 Ų | 144.6 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 140.5 | 157.3 | -75.9 | -170.8 | -178.2 | -169.6 | 1.5 | 109 | | |
| 490 | P | 36.2 | Very low | 27.6 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 168.3 | 136.1 | -18.8 | 34.6 | 0 | 0 | 0 | 111.9 | | |
| 491 | W | 25.3 | Very low | 28.7 | Very low | 239 Ų | 239 | 139.3 Ų | 139.3 | 91% | 0.905 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 154.6 | 177.8 | -75.5 | 40.8 | 0 | 0 | 0 | 111.3 | | |
| 492 | S | 25.7 | Very low | 28.9 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 137.4 | 163 | -51.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 493 | A | 26.7 | Very low | 29.3 | Very low | 89 Ų | 89 | 135.9 Ų | 135.9 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | trans | -141.7 | 126.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 494 | L | 29.7 | Very low | 29.5 | Very low | 169 Ų | 169 | 131.8 Ų | 131.8 | 89% | 0.885 | 75% | 0.751 | S | S | * | * | | | trans | 52.6 | 99.4 | 151.6 | -60.5 | 170.2 | 0 | 0 | 0 | 120.3 | | |
| 495 | A | 27.7 | Very low | 29.9 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 88% | 0.884 | 76% | 0.764 | S | S | * | * | | | | 34.2 | 132.6 | 122.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 496 | G | 27.1 | Very low | 29.9 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | 165.7 | 90.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 497 | Q | 26.6 | Very low | 29.8 | Very low | 196 Ų | 196 | 132.3 Ų | 132.3 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | | | trans | 41.7 | 135.9 | 147.2 | -87.7 | -177.2 | 32.7 | 0 | 0 | 125.4 | | |
| 498 | A | 24.9 | Very low | 29.9 | Very low | 94 Ų | 94 | 135.9 Ų | 135.9 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | | | trans | 82.2 | 140.6 | 133.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 499 | C | 25.5 | Very low | 29.8 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | | | trans | -98.1 | 173.5 | 168.2 | -72.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 500 | S | 32.6 | Very low | 29.5 | Very low | 85 Ų | 85 | 136.9 Ų | 136.9 | 59% | 0.594 | 78% | 0.779 | S | S | * | * | | | cis | -173.8 | 171.4 | -21 | 54.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 501 | P | 47.2 | Very low | 28.9 | Very low | 55 Ų | 55 | 134.6 Ų | 134.6 | 36% | 0.357 | 78% | 0.776 | S | S | . | * | | | trans | -131.3 | -162.9 | 159 | 23.4 | -0.5 | 0 | 0 | 0 | 112.2 | P528 Q529 Q530 | P501-P528 VanDerWaalsContact C-C 3.42Å; P501-P528 CarbonylContact C-O 3.54Å; P501-P528 CarbonylContact O-C 3.55Å; P501-P528 WeakPolarHBondContact O-CA 3.47Å; P501-Q529 VanDerWaalsContact C-N 3.34Å; P501-Q529 CarbonylContact C-O 3.48Å; P501-Q529 WeakPolarHBondContact CB-O 3.44Å; P501-Q529 PolarHBondContact O-N 2.94Å; P501-Q530 HydrophobicContact CG-CG 3.82Å |
| 502 | Q | 31.8 | Very low | 29.6 | Very low | 117 Ų | 117 | 129 Ų | 129 | 55% | 0.547 | 77% | 0.771 | S | S | . | * | | | | -161.3 | 143.1 | -70.4 | -174.4 | -176.3 | 67.2 | 0 | 0 | 113.1 | P528 Q529 | Q502-P528 VanDerWaalsContact N-C 3.29Å; Q502-P528 PolarHBondContact N-O 3.35Å; Q502-Q529 PolarHBondContact N-O 3.2Å |
| 503 | R | 34.2 | Very low | 29.9 | Very low | 189 Ų | 189 | 128.2 Ų | 128.2 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | trans | 75.4 | 167.1 | 163.4 | -97.6 | 179.5 | -88 | -136.1 | 1.7 | 116.8 | | |
| 504 | A | 30.6 | Very low | 29.9 | Very low | 81 Ų | 81 | 129.6 Ų | 129.6 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | | | cis | -151.5 | 162.2 | 17.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 505 | W | 31 | Very low | 30 | Very low | 243 Ų | 243 | 130.5 Ų | 130.5 | 92% | 0.92 | 77% | 0.769 | S | S | * | * | | | trans | 12.2 | 151.4 | 155.6 | -58.1 | 80.6 | 0 | 0 | 0 | 122.9 | | |
| 506 | G | 27 | Very low | 30 | Very low | 72 Ų | 72 | 137.1 Ų | 137.1 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | cis | 163.3 | 158.6 | -2.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 507 | A | 25.2 | Very low | 30.7 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 95% | 0.95 | 77% | 0.773 | S | S | * | * | | | trans | -148.6 | 178.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 508 | Q | 29.1 | Very low | 30.6 | Very low | 175 Ų | 175 | 133.2 Ų | 133.2 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -109.1 | 141.7 | -144.3 | -169.1 | 178.4 | 32.4 | 0 | 0 | 117.2 | | |
| 509 | R | 25.4 | Very low | 30.9 | Very low | 226 Ų | 226 | 134.8 Ų | 134.8 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | trans | 65 | 148.1 | 156.9 | -81.8 | 179.8 | 179 | -98 | 0.8 | 122.8 | | |
| 510 | Q | 28.9 | Very low | 31.5 | Very low | 193 Ų | 193 | 135.5 Ų | 135.5 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | | | trans | -66.3 | 164.4 | 179.4 | -51.6 | 164 | 6.4 | 0 | 0 | 112.7 | | |
| 511 | G | 25.3 | Very low | 31.7 | Very low | 71 Ų | 71 | 137.3 Ų | 137.3 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | | | cis | 158.3 | -171.5 | 5.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 512 | P | 40.4 | Very low | 30.8 | Very low | 122 Ų | 122 | 142 Ų | 142 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | | | cis | -128.6 | 174.2 | -17.8 | 42.1 | -27 | 0 | 0 | 0 | 115.1 | | |
| 513 | S | 30.9 | Very low | 30.6 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | | | trans | 77.6 | 161.2 | 160.9 | 86.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 514 | S | 26.5 | Very low | 30.2 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | 79.5 | 165.1 | 163 | -54.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 515 | Q | 31.6 | Very low | 30.4 | Very low | 188 Ų | 188 | 147.5 Ų | 147.5 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | | | trans | -110.4 | 129.8 | -157.6 | -58 | 177.4 | 0 | 0 | 0 | 114.8 | | |
| 516 | R | 29.2 | Very low | 30.7 | Very low | 246 Ų | 246 | 141.4 Ų | 141.4 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | | | trans | 58.9 | 168.6 | 176.6 | -79.8 | -179.7 | 167.5 | 173.5 | -3.5 | 114.5 | | |
| 517 | P | 39.8 | Very low | 30.8 | Very low | 130 Ų | 130 | 145.1 Ų | 145.1 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | | | cis | -96.2 | -163 | -15 | 40.8 | -33.1 | 0 | 0 | 0 | 111.1 | | |
| 518 | G | 25 | Very low | 32 | Very low | 63 Ų | 63 | 143.2 Ų | 143.2 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | | | cis | 136.8 | 136.7 | -15.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 519 | S | 31.6 | Very low | 32 | Very low | 127 Ų | 127 | 142 Ų | 142 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | | | trans | 68.5 | 160.3 | 176.1 | -59.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 520 | P | 39.1 | Very low | 32.6 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | cis | -117.4 | 169.2 | -9.2 | 40.6 | -28.9 | 0 | 0 | 0 | 114.2 | | |
| 521 | P | 35.3 | Very low | 33.2 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | | | trans | -116.2 | 148.4 | 178.1 | 38.6 | -28.6 | 0 | 0 | 0 | 115.4 | | |
| 522 | E | 28.1 | Very low | 33.4 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | | | trans | -159.3 | 151.3 | 144.7 | -124.3 | -160.1 | 154.4 | 0 | 0 | 114.7 | | |
| 523 | K | 28.1 | Very low | 33.2 | Very low | 155 Ų | 155 | 142 Ų | 142 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | | | trans | 67 | 92.7 | 157.1 | -69.9 | 158.3 | 178.9 | 146.2 | 0 | 121.6 | | |
| 524 | R | 26 | Very low | 33.3 | Very low | 232 Ų | 232 | 140.9 Ų | 140.9 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | | | trans | 69.2 | 128.7 | 130.8 | -63 | -178.3 | 175 | -175.2 | -1.4 | 122.5 | | |
| 525 | S | 35.5 | Very low | 33.5 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | 70.7 | 157.3 | 163.1 | 80.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 526 | P | 37.2 | Very low | 33.5 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | | | | -156.3 | -155.7 | 68.9 | 45.4 | -23.3 | 0 | 0 | 0 | 116.7 | | |
| 527 | F | 29.4 | Very low | 33.4 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | | | trans | -123.8 | -158.2 | 167.4 | -87 | -87.9 | 0 | 0 | 0 | 107.8 | | |
| 528 | P | 49.4 | Very low | 33 | Very low | 75 Ų | 75 | 134 Ų | 134 | 49% | 0.487 | 76% | 0.755 | S | S | . | * | | | cis | -142.4 | 165.7 | -0 | 44 | -24.8 | 0 | 0 | 0 | 119.2 | P501 Q502 | P501-P528 VanDerWaalsContact C-C 3.42Å; P501-P528 CarbonylContact C-O 3.54Å; P501-P528 CarbonylContact O-C 3.55Å; P501-P528 WeakPolarHBondContact O-CA 3.47Å; Q502-P528 VanDerWaalsContact N-C 3.29Å; Q502-P528 PolarHBondContact N-O 3.35Å |
| 529 | Q | 30.1 | Very low | 33.5 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | | | trans | 55.9 | 171.4 | 143.5 | -71.5 | -166.9 | -1 | 0 | 0 | 124.4 | P501 Q502 | P501-Q529 VanDerWaalsContact C-N 3.34Å; P501-Q529 CarbonylContact C-O 3.48Å; P501-Q529 WeakPolarHBondContact CB-O 3.44Å; P501-Q529 PolarHBondContact O-N 2.94Å; Q502-Q529 PolarHBondContact N-O 3.2Å |
| 530 | Q | 36.4 | Very low | 33.7 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | | | trans | -95.6 | -173.7 | -170.4 | -59.8 | -175.8 | -37.4 | 0 | 0 | 114.1 | P501 | P501-Q530 HydrophobicContact CG-CG 3.82Š|
| 531 | P | 41.8 | Very low | 34 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | | | trans | -128 | -179.2 | 136.6 | 36.7 | -25.7 | 0 | 0 | 0 | 115.7 | | |
| 532 | W | 29.4 | Very low | 33.6 | Very low | 231 Ų | 231 | 141.2 Ų | 141.2 | 88% | 0.875 | 76% | 0.759 | S | S | * | * | | | trans | -129.3 | 169.4 | -155.2 | -84.9 | 20 | 0 | 0 | 0 | 118.1 | | |
| 533 | S | 36.3 | Very low | 33.8 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -171.5 | 153.5 | 137.7 | -74.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 534 | A | 33 | Very low | 33.8 | Very low | 85 Ų | 85 | 141.2 Ų | 141.2 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | | | cis | 93.3 | 148.5 | 12 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 535 | V | 32.1 | Very low | 33.8 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | | | cis | -154.4 | 150.5 | 17.4 | -169.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 536 | A | 29.9 | Very low | 33.5 | Very low | 90 Ų | 90 | 141.3 Ų | 141.3 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | | | trans | 64.4 | 158.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 537 | T | 28.2 | Very low | 32.9 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | cis | -157 | 174.3 | 32.5 | -44.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 538 | Q | 30.3 | Very low | 32.9 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | trans | -102.3 | -175.2 | 171.1 | -100.3 | -146.6 | 54.5 | 0 | 0 | 112.5 | | |
| 539 | P | 36.1 | Very low | 31.9 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | cis | -130.6 | -163.7 | -1.7 | 42.4 | -23.8 | 0 | 0 | 0 | 115.2 | | |
| 540 | C | 35.7 | Very low | 31.7 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | trans | -97 | 163.4 | -178.3 | -52 | 0 | 0 | 0 | 0 | 115.9 | | |
| 541 | P | 46.3 | Very low | 31.3 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | | | | -138 | -178.3 | 104.1 | 41.6 | -30 | 0 | 0 | 0 | 112.3 | | |
| 542 | R | 26.8 | Very low | 30.6 | Very low | 232 Ų | 232 | 150.4 Ų | 150.4 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | | | cis | -161.1 | 151.1 | 25.3 | -174 | 172.4 | 170.7 | 175 | -4 | 111.9 | | |
| 543 | R | 32.4 | Very low | 30.8 | Very low | 239 Ų | 239 | 146.7 Ų | 146.7 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -24.8 | 160.8 | 164.6 | -79.7 | -179.3 | -95.5 | -140.3 | -6.2 | 119.3 | | |
| 544 | A | 26.7 | Very low | 30.8 | Very low | 69 Ų | 69 | 146.4 Ų | 146.4 | 57% | 0.57 | 80% | 0.798 | S | S | * | * | | | cis | 178.2 | 149.7 | -6.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 545 | W | 27.7 | Very low | 30.5 | Very low | 238 Ų | 238 | 145.3 Ų | 145.3 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | 62.7 | 153.2 | 148.7 | -69.9 | 47.8 | 0 | 0 | 0 | 118.5 | | |
| 546 | T | 28.9 | Very low | 30.5 | Very low | 113 Ų | 113 | 145 Ų | 145 | 69% | 0.693 | 80% | 0.796 | S | S | * | * | | | cis | -156.7 | 163.4 | -9.3 | 7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 547 | A | 24.7 | Very low | 30.4 | Very low | 92 Ų | 92 | 151.7 Ų | 151.7 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | trans | -3.6 | 139.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 548 | C | 27.7 | Very low | 30.6 | Very low | 134 Ų | 134 | 153.8 Ų | 153.8 | 91% | 0.905 | 81% | 0.807 | S | S | * | * | | | | -161.9 | 169.1 | 104.7 | -119.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 549 | E | 29.2 | Very low | 30.5 | Very low | 161 Ų | 161 | 156.9 Ų | 156.9 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | | | trans | -82 | 141.1 | -172.5 | -55.9 | -178 | 133.5 | 0 | 0 | 114.3 | | |
| 550 | T | 27 | Very low | 30 | Very low | 143 Ų | 143 | 158.9 Ų | 158.9 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | | | trans | -150.9 | 131.2 | 139.9 | -0.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 551 | W | 27.8 | Very low | 29.6 | Very low | 234 Ų | 234 | 159.8 Ų | 159.8 | 89% | 0.886 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 128.5 | -172 | -80.4 | 75.3 | 0 | 0 | 0 | 112.2 | | |
| 552 | E | 26.4 | Very low | 29.1 | Very low | 182 Ų | 182 | 161.5 Ų | 161.5 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 150.8 | 167.4 | -66.7 | -170.7 | 137.9 | 0 | 0 | 111.3 | P554 | E552-P554 WeakPolarHBondContact O-CD 3.33Š|
| 553 | D | 33.3 | Very low | 29.1 | Very low | 152 Ų | 152 | 157.8 Ų | 157.8 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 117.1 | 178.3 | -171.4 | 12.3 | 0 | 0 | 0 | 110.6 | | |
| 554 | P | 35.8 | Very low | 28.9 | Very low | 110 Ų | 110 | 156.6 Ų | 156.6 | 71% | 0.714 | 81% | 0.81 | S | S | * | * | | | trans | -113 | 115.5 | 168 | 9.1 | 13.8 | 0 | 0 | 0 | 110.7 | E552 | E552-P554 WeakPolarHBondContact O-CD 3.33Š|
| 555 | G | 27.3 | Very low | 29.3 | Very low | 62 Ų | 62 | 159 Ų | 159 | 64% | 0.639 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 139.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R557 | G555-R557 PolarHBondContact O-N 3.25Š|
| 556 | P | 31.8 | Very low | 29.3 | Very low | 132 Ų | 132 | 153 Ų | 153 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 123.5 | -171.2 | -28.1 | 35.8 | 0 | 0 | 0 | 114.8 | | |
| 557 | R | 28.1 | Very low | 29.6 | Very low | 231 Ų | 231 | 153.3 Ų | 153.3 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 136 | 176.4 | -55.9 | -179.8 | -173.1 | -157.4 | 0.9 | 111 | G555 R559 | G555-R557 PolarHBondContact O-N 3.25Å; R557-R559 PolarHBondContact O-N 2.95Å |
| 558 | L | 33.6 | Very low | 30.1 | Very low | 182 Ų | 182 | 155 Ų | 155 | 95% | 0.953 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 120.9 | 166.5 | -77.3 | 160.8 | 0 | 0 | 0 | 110.3 | | |
| 559 | R | 27.7 | Very low | 30.4 | Very low | 234 Ų | 234 | 153.5 Ų | 153.5 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | | | trans | -118.4 | 153.6 | 172.1 | -88.4 | -172 | 167.5 | -173.4 | -1.5 | 110.9 | R557 | R557-R559 PolarHBondContact O-N 2.95Š|
| 560 | N | 24.9 | Very low | 30.6 | Very low | 155 Ų | 155 | 154.9 Ų | 154.9 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | | | trans | -65.9 | 141.9 | -166.3 | -58 | -51.9 | 0 | 0 | 0 | 114.2 | L562 | N560-L562 PolarHBondContact O-N 3.25Å; N560-L562 VanDerWaalsContact O-N 3.14Å |
| 561 | P | 28 | Very low | 30.9 | Very low | 132 Ų | 132 | 158.7 Ų | 158.7 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -84.9 | 75.2 | 172.7 | 35.1 | -34.7 | 0 | 0 | 0 | 111.8 | | |
| 562 | L | 36 | Very low | 31.3 | Very low | 165 Ų | 165 | 153.1 Ų | 153.1 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | | | trans | -150.5 | 62.7 | 168.2 | -163.9 | 66.1 | 0 | 0 | 0 | 114.5 | N560 | N560-L562 PolarHBondContact O-N 3.25Å; N560-L562 VanDerWaalsContact O-N 3.14Å |
| 563 | E | 27 | Very low | 31.5 | Very low | 154 Ų | 154 | 156.3 Ų | 156.3 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | | | trans | -158 | 118.9 | 145.1 | -120.5 | -158.5 | 123.7 | 0 | 0 | 113.6 | | |
| 564 | R | 27.7 | Very low | 31.3 | Very low | 214 Ų | 214 | 153.9 Ų | 153.9 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | | | trans | 62.6 | 169.9 | 161.2 | -58.4 | -175.6 | -163 | -158.3 | 1.3 | 118.3 | | |
| 565 | P | 35.3 | Very low | 30.8 | Very low | 118 Ų | 118 | 154.2 Ų | 154.2 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | | | cis | -113.8 | 168.6 | -17.5 | 31.4 | -15.6 | 0 | 0 | 0 | 113.5 | | |
| 566 | S | 27.1 | Very low | 30.9 | Very low | 112 Ų | 112 | 157 Ų | 157 | 78% | 0.783 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 136.5 | 171.9 | -50.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 567 | P | 34.8 | Very low | 30.9 | Very low | 120 Ų | 120 | 154 Ų | 154 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 136.2 | 174.9 | 29.8 | -33.9 | 0 | 0 | 0 | 111.4 | | |
| 568 | P | 34.7 | Very low | 31.1 | Very low | 127 Ų | 127 | 149 Ų | 149 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 139.1 | 173.2 | 30.9 | -33.9 | 0 | 0 | 0 | 110.9 | Q570 | P568-Q570 PolarHBondContact O-N 3.19Š|
| 569 | A | 35.7 | Very low | 30.9 | Very low | 103 Ų | 103 | 149.6 Ų | 149.6 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | | | trans | -82.7 | 114.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 570 | Q | 32.1 | Very low | 30.9 | Very low | 190 Ų | 190 | 149.4 Ų | 149.4 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | | | trans | -144.9 | 149.9 | 152 | -77.2 | -142.8 | 44.1 | 0 | 0 | 110.9 | P568 | P568-Q570 PolarHBondContact O-N 3.19Š|
| 571 | R | 32.9 | Very low | 31.2 | Very low | 224 Ų | 224 | 146.7 Ų | 146.7 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | | | trans | -104 | 137 | 169.3 | -65.6 | -178.7 | 177.7 | -155.9 | -1.3 | 109.4 | | |
| 572 | P | 38 | Very low | 31.4 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | | | trans | -84.7 | 124.3 | 149.8 | -8.5 | 27 | 0 | 0 | 0 | 109.2 | | |
| 573 | W | 29.2 | Very low | 31.6 | Very low | 249 Ų | 249 | 141.6 Ų | 141.6 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | | | trans | -92.8 | 125 | 156.1 | -149.7 | -38 | 0 | 0 | 0 | 105.5 | | |
| 574 | S | 28.6 | Very low | 31.8 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | | | trans | -128.2 | 106.6 | -178 | -62.2 | 0 | 0 | 0 | 0 | 111 | | |
| 575 | S | 27.3 | Very low | 32 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -72.3 | 128.4 | 167.3 | 47 | 0 | 0 | 0 | 0 | 110.4 | G577 | S575-G577 VanDerWaalsContact C-N 3.33Å; S575-G577 PolarHBondContact O-N 2.94Å |
| 576 | S | 28.9 | Very low | 32.1 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | | | trans | -76.2 | 78 | 177.9 | 55.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 577 | G | 31.1 | Very low | 32.2 | Very low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | | | trans | -88.6 | 100.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | S575 Q579 | S575-G577 VanDerWaalsContact C-N 3.33Å; S575-G577 PolarHBondContact O-N 2.94Å; G577-Q579 PolarHBondContact O-N 3.41Å; G577-Q579 VanDerWaalsContact O-N 3.16Å |
| 578 | V | 33.4 | Very low | 32.1 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 77% | 0.77 | 83% | 0.826 | S | S | * | * | | | trans | -80.1 | 98 | -178.3 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 579 | Q | 28.2 | Very low | 31.8 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | | | trans | -79.5 | 127.4 | 153.7 | -76.1 | -174 | -10.8 | 0 | 0 | 108.9 | G577 | G577-Q579 PolarHBondContact O-N 3.41Å; G577-Q579 VanDerWaalsContact O-N 3.16Å |
| 580 | R | 27.6 | Very low | 31.6 | Very low | 229 Ų | 229 | 145.6 Ų | 145.6 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | | | trans | -115.7 | 106.7 | 170.8 | -179 | -175.1 | -70.4 | -138.5 | 0.7 | 108.8 | | |
| 581 | A | 32.1 | Very low | 31.5 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -84 | 144.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 582 | G | 30.9 | Very low | 31.6 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | trans | -106.2 | -172.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 583 | P | 41.2 | Very low | 31.9 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | | | trans | -121.6 | 136.6 | 157.1 | 35.5 | -24.8 | 0 | 0 | 0 | 113.5 | | |
| 584 | Q | 32.2 | Very low | 32.1 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | | | trans | 42 | 113.8 | 148.4 | -57 | -167.4 | 51.1 | 0 | 0 | 121 | | |
| 585 | G | 30.3 | Very low | 32.2 | Very low | 77 Ų | 77 | 131 Ų | 131 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | | | trans | -134.5 | 122.8 | 144.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 586 | K | 38.1 | Very low | 32.3 | Very low | 207 Ų | 207 | 129.8 Ų | 129.8 | 90% | 0.9 | 81% | 0.811 | S | S | * | * | | | trans | -81.8 | 121.3 | 179.1 | -72.5 | 176.3 | 179.4 | 172.4 | 0 | 109.9 | | |
| 587 | G | 29.5 | Very low | 32.3 | Very low | 80 Ų | 80 | 128.1 Ų | 128.1 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | -142.8 | 144.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 588 | R | 32.2 | Very low | 32.5 | Very low | 253 Ų | 253 | 133.2 Ų | 133.2 | 96% | 0.955 | 81% | 0.807 | S | S | * | * | | | trans | -127.6 | 141.6 | -170.2 | -167.1 | -165.1 | -61.2 | -110.7 | 8.6 | 109.8 | | |
| 589 | G | 28.2 | Very low | 32.5 | Very low | 62 Ų | 62 | 135.5 Ų | 135.5 | 64% | 0.639 | 81% | 0.809 | S | S | * | * | | | trans | 126.5 | 103.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 590 | I | 31.7 | Very low | 32.5 | Very low | 174 Ų | 174 | 131 Ų | 131 | 89% | 0.892 | 81% | 0.805 | S | S | * | * | | | | 73.6 | 117.7 | 64.9 | -60.7 | 168.9 | 0 | 0 | 0 | 112.5 | | |
| 591 | G | 29.9 | Very low | 33 | Very low | 67 Ų | 67 | 127.3 Ų | 127.3 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | | | trans | 91.3 | 93.7 | 144.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 592 | S | 34.3 | Very low | 33.7 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | trans | -81.2 | 140.4 | 138.3 | -58 | 0 | 0 | 0 | 0 | 108.8 | | |
| 593 | P | 44.4 | Very low | 33.8 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | | | trans | -119.3 | 150.9 | 148.6 | 35.4 | -28.2 | 0 | 0 | 0 | 111.8 | | |
| 594 | V | 34.9 | Very low | 34.2 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | | | trans | -101.5 | 125.3 | 170.6 | 172.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 595 | S | 30.3 | Very low | 34.2 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -164.1 | 124.6 | 162.4 | -145.9 | 0 | 0 | 0 | 0 | 106.8 | | |
| 596 | A | 28.5 | Very low | 34.1 | Very low | 90 Ų | 90 | 132 Ų | 132 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | | | cis | 107.1 | 122.6 | 31.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 597 | A | 30.1 | Very low | 33.6 | Very low | 86 Ų | 86 | 128 Ų | 128 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | trans | 73.6 | 98.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 598 | K | 34.7 | Very low | 33.5 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | | | | 70.8 | 152.7 | 122.5 | -54.7 | 179.8 | -174.1 | 175.7 | 0 | 122.9 | | |
| 599 | H | 34.3 | Very low | 34.6 | Very low | 176 Ų | 176 | 126.6 Ų | 126.6 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | | | trans | 71.1 | 145.1 | 163.8 | -49.4 | -66.5 | 0 | 0 | 0 | 115.8 | | |
| 600 | A | 27.8 | Very low | 34.6 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | cis | -143.8 | 176.7 | 10.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 601 | L | 37.6 | Very low | 34.5 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | | | trans | -151.4 | 128 | 174.5 | -169.5 | 152.7 | 0 | 0 | 0 | 110.6 | | |
| 602 | P | 47 | Very low | 35.6 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | | | trans | -106.4 | 142.8 | 166.6 | 34.2 | -25.7 | 0 | 0 | 0 | 112.8 | | |
| 603 | R | 33.5 | Very low | 35.4 | Very low | 216 Ų | 216 | 135.6 Ų | 135.6 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | | | trans | -114.6 | 158.7 | 173.5 | -157.7 | -171.5 | 178.8 | -179.2 | 0.4 | 108.4 | | |
| 604 | P | 49.3 | Very low | 34.7 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | | | | -143.9 | -165.2 | 104 | 38.6 | -20.3 | 0 | 0 | 0 | 110.4 | | |
| 605 | T | 31.2 | Very low | 34.8 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | | | cis | -148 | 143.5 | 1.2 | -34.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 606 | G | 28.5 | Very low | 35 | Very low | 67 Ų | 67 | 137.8 Ų | 137.8 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | | | trans | 74.1 | 146.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 607 | S | 27.1 | Very low | 35.6 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | cis | -150.2 | 166.3 | -17.2 | 47.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 608 | F | 29 | Very low | 35.8 | Very low | 203 Ų | 203 | 145.5 Ų | 145.5 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | | | trans | -105.4 | -170.5 | -172.9 | -80 | -87 | 0 | 0 | 0 | 111.2 | | |
| 609 | P | 53.7 | Low | 36.1 | Very low | 102 Ų | 102 | 142.6 Ų | 142.6 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | | | cis | -132.7 | 171.4 | -16.7 | 19.9 | 4.3 | 0 | 0 | 0 | 115.1 | | |
| 610 | Q | 29.6 | Very low | 36.3 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | | 164.3 | 155.2 | 111.2 | -82.9 | -167.6 | 35.4 | 0 | 0 | 113.1 | | |
| 611 | N | 29.5 | Very low | 36.7 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | trans | -127.4 | -173.8 | 176.4 | -71.9 | -63.7 | 0 | 0 | 0 | 107 | | |
| 612 | P | 51.9 | Low | 36.8 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | | | cis | -145.9 | -170.3 | 7.8 | 44.8 | -24.3 | 0 | 0 | 0 | 117.3 | | |
| 613 | L | 29.6 | Very low | 35.9 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | 70.8 | 110.6 | 138.6 | -168.5 | 66.2 | 0 | 0 | 0 | 121.8 | | |
| 614 | G | 30.4 | Very low | 36.4 | Very low | 56 Ų | 56 | 142.2 Ų | 142.2 | 58% | 0.577 | 79% | 0.79 | S | S | * | * | | | | 120.3 | 117.5 | 113.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 615 | K | 37.8 | Very low | 35.9 | Very low | 198 Ų | 198 | 148.4 Ų | 148.4 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | | | trans | 64.2 | 169.6 | 159.6 | -43.9 | -73.7 | -176.7 | 156.8 | 0 | 114.5 | | |
| 616 | E | 33.4 | Very low | 36.3 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | | | cis | -131.6 | -179.6 | -11.4 | -164.1 | 132.7 | 144.3 | 0 | 0 | 109.8 | | |
| 617 | K | 41.3 | Very low | 37.2 | Very low | 194 Ų | 194 | 156.4 Ų | 156.4 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | | | trans | -79.1 | 140.1 | 169.7 | -62 | 171.6 | -180 | 171.7 | 0 | 109.5 | | |
| 618 | D | 35.5 | Very low | 37.9 | Very low | 144 Ų | 144 | 153.1 Ų | 153.1 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | -147 | 114.3 | 136.1 | -134.9 | -25.4 | 0 | 0 | 0 | 115.9 | L620 | D618-L620 PolarHBondContact O-N 2.88Š|
| 619 | T | 40.6 | Very low | 38.7 | Very low | 114 Ų | 114 | 151.8 Ų | 151.8 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | | | trans | 19.4 | 91.3 | 144.4 | -39.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 620 | L | 38.4 | Very low | 38.7 | Very low | 171 Ų | 171 | 154.7 Ų | 154.7 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | | | trans | -107.5 | 125.9 | 148.6 | -74.4 | 179 | 0 | 0 | 0 | 110.9 | D618 | D618-L620 PolarHBondContact O-N 2.88Š|
| 621 | R | 35.5 | Very low | 40 | Very low | 223 Ų | 223 | 148.6 Ų | 148.6 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | | | trans | -70.3 | 137.1 | -176.6 | -65 | -178.9 | 177.3 | -165.3 | -0.4 | 111.6 | C623 | R621-C623 PolarHBondContact O-N 3.36Š|
| 622 | P | 39.6 | Very low | 41.5 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | trans | -65 | 115.1 | 158.2 | -15.7 | 30.1 | 0 | 0 | 0 | 109.2 | | |
| 623 | C | 29.5 | Very low | 42 | Very low | 117 Ų | 117 | 146 Ų | 146 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | trans | -60.6 | 130.6 | 174.7 | -69.2 | 0 | 0 | 0 | 0 | 110.1 | R621 R625 | R621-C623 PolarHBondContact O-N 3.36Å; C623-R625 PolarHBondContact O-N 3.12Å; C623-R625 VanDerWaalsContact O-N 3.09Å |
| 624 | P | 42.7 | Very low | 43.8 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -65.5 | 115.8 | 173.6 | 27.4 | -32.5 | 0 | 0 | 0 | 108.3 | S626 | P624-S626 PolarHBondContact O-N 3.05Å; P624-S626 VanDerWaalsContact O-N 3.08Å |
| 625 | R | 38.4 | Very low | 46.2 | Very low | 242 Ų | 242 | 145.9 Ų | 145.9 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | | | trans | -52.6 | 121.5 | 165.9 | -90.3 | -177.2 | 169.8 | 162.8 | -2.5 | 107.5 | C623 R627 | C623-R625 PolarHBondContact O-N 3.12Å; C623-R625 VanDerWaalsContact O-N 3.09Å; R625-R627 PolarHBondContact O-N 3.4Å |
| 626 | S | 40.2 | Very low | 48.4 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | trans | -55.9 | 107.4 | 172.4 | 39.5 | 0 | 0 | 0 | 0 | 108 | P624 G628 | P624-S626 PolarHBondContact O-N 3.05Å; P624-S626 VanDerWaalsContact O-N 3.08Å; S626-G628 PolarHBondContact O-N 3.12Å |
| 627 | R | 48 | Very low | 51.1 | Low | 241 Ų | 241 | 138.1 Ų | 138.1 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | | | trans | -72.4 | 76.5 | 172.2 | -173.8 | -174.6 | -66.4 | -109.2 | 1.6 | 106.9 | R625 L629 | R625-R627 PolarHBondContact O-N 3.4Å; R627-L629 PolarHBondContact O-N 2.96Å |
| 628 | G | 42.3 | Very low | 53.5 | Low | 53 Ų | 53 | 131.5 Ų | 131.5 | 55% | 0.546 | 73% | 0.728 | S | S | . | * | | | trans | -48.7 | 133.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | S626 L630 | S626-G628 PolarHBondContact O-N 3.12Å; G628-L630 VanDerWaalsContact C-N 3.31Å; G628-L630 PolarHBondContact O-N 2.86Å |
| 629 | L | 44.3 | Very low | 56.2 | Low | 176 Ų | 176 | 129.6 Ų | 129.6 | 92% | 0.921 | 72% | 0.717 | S | S | * | * | | | trans | -62.5 | 96.9 | -179.4 | -73.4 | 163.2 | 0 | 0 | 0 | 108.1 | R627 G631 | R627-L629 PolarHBondContact O-N 2.96Å; L629-G631 VanDerWaalsContact C-N 3.25Å; L629-G631 PolarHBondContact O-N 2.76Å |
| 630 | L | 53.5 | Low | 58.8 | Low | 162 Ų | 162 | 130.7 Ų | 130.7 | 85% | 0.848 | 71% | 0.709 | S | S | * | * | | | trans | -60.5 | 95.6 | 165.6 | -82.7 | 161.2 | 0 | 0 | 0 | 106.4 | G628 | G628-L630 VanDerWaalsContact C-N 3.31Å; G628-L630 PolarHBondContact O-N 2.86Å |
| 631 | G | 57.1 | Low | 61.5 | Low | 50 Ų | 50 | 126 Ų | 126 | 52% | 0.515 | 68% | 0.682 | S | S | . | * | | | trans | -52.9 | 149.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | L629 S633 | L629-G631 VanDerWaalsContact C-N 3.25Å; L629-G631 PolarHBondContact O-N 2.76Å; G631-S633 PolarHBondContact O-N 3.28Å; G631-S633 VanDerWaalsContact O-N 3.08Å |
| 632 | P | 61.5 | Low | 64.3 | Low | 106 Ų | 106 | 120 Ų | 120 | 69% | 0.688 | 66% | 0.663 | S | S | * | * | | | trans | -47.2 | 120.4 | -168.1 | -30.1 | 35.4 | 0 | 0 | 0 | 112 | H634 | P632-H634 VanDerWaalsContact C-N 3.27Å; P632-H634 PolarHBondContact O-CD2 3.29Å; P632-H634 PolarHBondContact O-N 3.04Å |
| 633 | S | 62.2 | Low | 67.1 | Low | 112 Ų | 112 | 119.5 Ų | 119.5 | 78% | 0.783 | 65% | 0.651 | S | S | * | * | | | trans | -62.1 | 86.9 | -176.9 | -58.6 | 0 | 0 | 0 | 0 | 110.3 | G631 S635 | G631-S633 PolarHBondContact O-N 3.28Å; G631-S633 VanDerWaalsContact O-N 3.08Å; S633-S635 PolarHBondContact O-N 2.92Å |
| 634 | H | 66.8 | Low | 70.3 | Confident | 153 Ų | 153 | 119.4 Ų | 119.4 | 71% | 0.708 | 63% | 0.634 | S | S | * | * | | | trans | -54.8 | 117.7 | -176.2 | -66.2 | -71.1 | 0 | 0 | 0 | 109.2 | P632 | P632-H634 VanDerWaalsContact C-N 3.27Å; P632-H634 PolarHBondContact O-CD2 3.29Å; P632-H634 PolarHBondContact O-N 3.04Å |
| 635 | S | 82.5 | Confident | 72.9 | Confident | 67 Ų | 67 | 118.1 Ų | 118.1 | 47% | 0.469 | 62% | 0.617 | S | S | . | * | | | trans | -58.3 | 145.6 | -180 | 69.2 | 0 | 0 | 0 | 0 | 109.6 | S633 E637 S638 L639 | S633-S635 PolarHBondContact O-N 2.92Å; S635-E637 PolarHBondContact O-N 2.83Å; S635-S638 WeakPolarHBondContact O-CB 3.49Å; S635-S638 PolarHBondContact O-N 3.3Å; S635-S638 WeakPolarHBondContact OG-CB 3.32Å; S635-S638 PolarHBondContact OG-N 3.4Å; S635-L639 PolarHBondContact O-N 2.81Å |
| 636 | S | 83.5 | Confident | 75.7 | Confident | 83 Ų | 83 | 111.4 Ų | 111.4 | 58% | 0.58 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -58 | -22.4 | 177.3 | 65.2 | 0 | 0 | 0 | 0 | 111.9 | R640 | S636-R640 VanDerWaalsContact O-CG 3.28Å; S636-R640 WeakPolarHBondContact O-CG 3.47Å; S636-R640 PolarHBondContact O-N 3.46Å; S636-R640 PolarHBondContact O-NE 2.84Å; S636-R640 PolarHBondContact OG-NH2 3.45Å |
| 637 | E | 89.9 | Confident | 78.4 | Confident | 125 Ų | 125 | 107.8 Ų | 107.8 | 58% | 0.584 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -72.2 | -48.6 | 169.4 | -174 | 144.8 | -121 | 0 | 0 | 113.3 | S635 L639 R640 E641 | S635-E637 PolarHBondContact O-N 2.83Å; E637-L639 VanDerWaalsContact C-N 3.3Å; E637-L639 PolarHBondContact O-N 3.41Å; E637-R640 CarbonylContact O-C 3.58Å; E637-R640 PolarHBondContact O-N 3.31Å; E637-E641 WeakPolarHBondContact O-CB 3.41Å; E637-E641 PolarHBondContact O-N 3.01Å |
| 638 | S | 91.6 | Very high | 80.8 | Confident | 56 Ų | 56 | 101.1 Ų | 101.1 | 39% | 0.392 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -56.8 | -41.2 | 174.9 | 179.8 | 0 | 0 | 0 | 0 | 112.3 | S635 E641 F642 | S635-S638 WeakPolarHBondContact O-CB 3.49Å; S635-S638 PolarHBondContact O-N 3.3Å; S635-S638 WeakPolarHBondContact OG-CB 3.32Å; S635-S638 PolarHBondContact OG-N 3.4Å; S638-E641 PolarHBondContact O-N 3.38Å; S638-F642 WeakPolarHBondContact O-CB 3.4Å; S638-F642 PolarHBondContact O-N 2.84Å |
| 639 | L | 93.1 | Very high | 83.4 | Confident | 103 Ų | 103 | 101.3 Ų | 101.3 | 54% | 0.539 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 174.5 | -179.7 | 59.7 | 0 | 0 | 0 | 112.4 | S635 E637 E641 M643 | S635-L639 PolarHBondContact O-N 2.81Å; E637-L639 VanDerWaalsContact C-N 3.3Å; E637-L639 PolarHBondContact O-N 3.41Å; L639-E641 VanDerWaalsContact C-N 3.33Å; L639-M643 HydrophobicContact CD1-CG 4.43Å; L639-M643 WeakPolarHBondContact O-CB 3.01Å; L639-M643 VanDerWaalsContact O-CG 3.29Å; L639-M643 WeakPolarHBondContact O-CG 3.47Å; L639-M643 PolarHBondContact O-N 3.14Å |
| 640 | R | 93.9 | Very high | 85.9 | Confident | 137 Ų | 137 | 101.2 Ų | 101.2 | 52% | 0.517 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 175 | -78 | 176.5 | -72.9 | 175 | 2.1 | 111.5 | S636 E637 M643 R644 | S636-R640 VanDerWaalsContact O-CG 3.28Å; S636-R640 WeakPolarHBondContact O-CG 3.47Å; S636-R640 PolarHBondContact O-N 3.46Å; S636-R640 PolarHBondContact O-NE 2.84Å; S636-R640 PolarHBondContact OG-NH2 3.45Å; E637-R640 CarbonylContact O-C 3.58Å; E637-R640 PolarHBondContact O-N 3.31Å; R640-M643 PolarHBondContact O-N 3.33Å; R640-R644 WeakPolarHBondContact O-CG 3.46Å; R640-R644 PolarHBondContact O-N 3.13Å |
| 641 | E | 95.1 | Very high | 88 | Confident | 73 Ų | 73 | 102.3 Ų | 102.3 | 34% | 0.341 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.6 | -49.6 | 175.6 | -169.8 | 52.3 | -142.7 | 0 | 0 | 111.8 | E637 S638 L639 M643 R644 Q645 | E637-E641 WeakPolarHBondContact O-CB 3.41Å; E637-E641 PolarHBondContact O-N 3.01Å; S638-E641 PolarHBondContact O-N 3.38Å; L639-E641 VanDerWaalsContact C-N 3.33Å; E641-M643 VanDerWaalsContact C-N 3.3Å; E641-M643 PolarHBondContact O-N 3.36Å; E641-R644 WeakPolarHBondContact O-CB 3.43Å; E641-R644 PolarHBondContact O-N 2.94Å; E641-R644 VanDerWaalsContact O-N 3.14Å; E641-R644 IonicContact OE2-CZ 3.31Å; E641-R644 IonicContact OE2-NE 2.72Å; E641-R644 PolarHBondContact OE2-NE 2.88Å; E641-R644 IonicContact OE2-NH2 3.17Å; E641-R644 PolarHBondContact OE2-NH2 3.25Å; E641-Q645 WeakPolarHBondContact O-CG 3.26Å; E641-Q645 PolarHBondContact O-N 2.8Å; E641-Q645 PolarHBondContact OE1-NE2 3.41Å; E641-Q645 VanDerWaalsContact OE1-NE2 3.07Å |
| 642 | F | 95.9 | Very high | 90 | Very high | 98 Ų | 98 | 108.7 Ų | 108.7 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.5 | -40 | 173.9 | 179 | -112.4 | 0 | 0 | 0 | 113 | S638 Q645 K646 | S638-F642 WeakPolarHBondContact O-CB 3.4Å; S638-F642 PolarHBondContact O-N 2.84Å; F642-Q645 PolarHBondContact O-N 3.46Å; F642-K646 HydrophobicContact CD1-CD 4.43Å; F642-K646 HydrophobicContact CE1-CD 3.92Å; F642-K646 HydrophobicContact CE2-CD 4.38Å; F642-K646 HydrophobicContact CZ-CD 3.92Å; F642-K646 PolarHBondContact O-N 2.81Å |
| 643 | M | 97.2 | Very high | 91.7 | Very high | 111 Ų | 111 | 108.8 Ų | 108.8 | 55% | 0.547 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.3 | -37.1 | 176.3 | -71.6 | -65.4 | -75.8 | 0 | 0 | 112.6 | L639 R640 E641 A647 | L639-M643 HydrophobicContact CD1-CG 4.43Å; L639-M643 WeakPolarHBondContact O-CB 3.01Å; L639-M643 VanDerWaalsContact O-CG 3.29Å; L639-M643 WeakPolarHBondContact O-CG 3.47Å; L639-M643 PolarHBondContact O-N 3.14Å; R640-M643 PolarHBondContact O-N 3.33Å; E641-M643 VanDerWaalsContact C-N 3.3Å; E641-M643 PolarHBondContact O-N 3.36Å; M643-A647 WeakPolarHBondContact O-CB 3.44Å; M643-A647 PolarHBondContact O-N 2.99Å |
| 644 | R | 96.8 | Very high | 93.4 | Very high | 116 Ų | 116 | 105.4 Ų | 105.4 | 44% | 0.438 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.2 | -48.8 | 169.2 | -76.7 | -175.3 | -73.8 | -108.1 | 8.1 | 110.7 | R640 E641 A647 Q648 | R640-R644 WeakPolarHBondContact O-CG 3.46Å; R640-R644 PolarHBondContact O-N 3.13Å; E641-R644 WeakPolarHBondContact O-CB 3.43Å; E641-R644 PolarHBondContact O-N 2.94Å; E641-R644 VanDerWaalsContact O-N 3.14Å; E641-R644 IonicContact OE2-CZ 3.31Å; E641-R644 IonicContact OE2-NE 2.72Å; E641-R644 PolarHBondContact OE2-NE 2.88Å; E641-R644 IonicContact OE2-NH2 3.17Å; E641-R644 PolarHBondContact OE2-NH2 3.25Å; R644-A647 PolarHBondContact O-N 2.69Å; R644-Q648 WeakPolarHBondContact O-CG 3.38Å; R644-Q648 PolarHBondContact O-N 3.3Å |
| 645 | Q | 96.9 | Very high | 94.9 | Very high | 99 Ų | 99 | 103.7 Ų | 103.7 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | -179.8 | -69.3 | 173.7 | 10.3 | 0 | 0 | 112.1 | E641 F642 A647 Q648 A649 | E641-Q645 WeakPolarHBondContact O-CG 3.26Å; E641-Q645 PolarHBondContact O-N 2.8Å; E641-Q645 PolarHBondContact OE1-NE2 3.41Å; E641-Q645 VanDerWaalsContact OE1-NE2 3.07Å; F642-Q645 PolarHBondContact O-N 3.46Å; Q645-A647 VanDerWaalsContact C-N 3.34Å; Q645-A647 PolarHBondContact O-N 3.23Å; Q645-Q648 PolarHBondContact O-N 3.46Å; Q645-A649 WeakPolarHBondContact O-CB 3.28Å; Q645-A649 PolarHBondContact O-N 3.35Å |
| 646 | K | 97.6 | Very high | 95.6 | Very high | 101 Ų | 101 | 107.5 Ų | 107.5 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -35.9 | 173.5 | -82.5 | -173.1 | 169.1 | 178.7 | 0 | 113.2 | F642 R650 | F642-K646 HydrophobicContact CD1-CD 4.43Å; F642-K646 HydrophobicContact CE1-CD 3.92Å; F642-K646 HydrophobicContact CE2-CD 4.38Å; F642-K646 HydrophobicContact CZ-CD 3.92Å; F642-K646 PolarHBondContact O-N 2.81Å; K646-R650 WeakPolarHBondContact O-CG 3.46Å; K646-R650 PolarHBondContact O-N 2.97Å; K646-R650 VanDerWaalsContact O-N 3.15Å |
| 647 | A | 97.7 | Very high | 96.2 | Very high | 42 Ų | 42 | 108.5 Ų | 108.5 | 35% | 0.347 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.5 | -39.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M643 R644 Q645 R651 | M643-A647 WeakPolarHBondContact O-CB 3.44Å; M643-A647 PolarHBondContact O-N 2.99Å; R644-A647 PolarHBondContact O-N 2.69Å; Q645-A647 VanDerWaalsContact C-N 3.34Å; Q645-A647 PolarHBondContact O-N 3.23Å; A647-R651 WeakPolarHBondContact O-CG 3.22Å; A647-R651 PolarHBondContact O-N 3.48Å; A647-R651 VanDerWaalsContact O-N 3.12Å |
| 648 | Q | 97.4 | Very high | 96.6 | Very high | 101 Ų | 101 | 109.3 Ų | 109.3 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -41.8 | 174.6 | -70.5 | 178.3 | 13.5 | 0 | 0 | 112.3 | R644 Q645 R651 R652 | R644-Q648 WeakPolarHBondContact O-CG 3.38Å; R644-Q648 PolarHBondContact O-N 3.3Å; Q645-Q648 PolarHBondContact O-N 3.46Å; Q648-R651 WeakPolarHBondContact O-CB 3.43Å; Q648-R651 PolarHBondContact O-N 3.03Å; Q648-R651 VanDerWaalsContact O-N 3.16Å; Q648-R652 PolarHBondContact O-N 3.36Å |
| 649 | A | 97.2 | Very high | 96.9 | Very high | 57 Ų | 57 | 108.7 Ų | 108.7 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59 | -48 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q645 R651 R652 Q653 | Q645-A649 WeakPolarHBondContact O-CB 3.28Å; Q645-A649 PolarHBondContact O-N 3.35Å; A649-R651 VanDerWaalsContact C-N 3.3Å; A649-R651 PolarHBondContact O-N 3.35Å; A649-R652 PolarHBondContact O-N 3.27Å; A649-R652 VanDerWaalsContact O-N 3.15Å; A649-Q653 PolarHBondContact O-N 3.03Å |
| 650 | R | 97.9 | Very high | 97.1 | Very high | 173 Ų | 173 | 106.6 Ų | 106.6 | 65% | 0.653 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.1 | -39.4 | 173.6 | -71.3 | 169.4 | 179.1 | 167.7 | -2 | 112.6 | K646 A654 | K646-R650 WeakPolarHBondContact O-CG 3.46Å; K646-R650 PolarHBondContact O-N 2.97Å; K646-R650 VanDerWaalsContact O-N 3.15Å; R650-A654 VanDerWaalsContact O-CB 3.31Å; R650-A654 WeakPolarHBondContact O-CB 3.47Å; R650-A654 PolarHBondContact O-N 2.78Å |
| 651 | R | 97.2 | Very high | 97.3 | Very high | 186 Ų | 186 | 102.9 Ų | 102.9 | 70% | 0.702 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.1 | -39.9 | 175.6 | -73.8 | 174 | -179.2 | -168.6 | 0.4 | 112.4 | A647 Q648 A649 L655 | A647-R651 WeakPolarHBondContact O-CG 3.22Å; A647-R651 PolarHBondContact O-N 3.48Å; A647-R651 VanDerWaalsContact O-N 3.12Å; Q648-R651 WeakPolarHBondContact O-CB 3.43Å; Q648-R651 PolarHBondContact O-N 3.03Å; Q648-R651 VanDerWaalsContact O-N 3.16Å; A649-R651 VanDerWaalsContact C-N 3.3Å; A649-R651 PolarHBondContact O-N 3.35Å; R651-L655 WeakPolarHBondContact O-CG 3.41Å; R651-L655 PolarHBondContact O-N 3.32Å; R651-L655 VanDerWaalsContact O-N 3.16Å |
| 652 | R | 97.8 | Very high | 97.5 | Very high | 183 Ų | 183 | 104.8 Ų | 104.8 | 69% | 0.691 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.6 | -50 | 175.2 | -71.2 | -179.4 | -179.5 | -173.4 | 1 | 111 | Q648 A649 A654 L655 E656 | Q648-R652 PolarHBondContact O-N 3.36Å; A649-R652 PolarHBondContact O-N 3.27Å; A649-R652 VanDerWaalsContact O-N 3.15Å; R652-A654 PolarHBondContact O-N 3.02Å; R652-L655 WeakPolarHBondContact O-CB 3.49Å; R652-L655 PolarHBondContact O-N 2.83Å; R652-L655 VanDerWaalsContact O-N 3.07Å; R652-E656 PolarHBondContact O-N 2.98Å |
| 653 | Q | 97.5 | Very high | 97.5 | Very high | 109 Ų | 109 | 108.6 Ų | 108.6 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -55.8 | -47.9 | 175.4 | -178.4 | -178.3 | -13.7 | 0 | 0 | 111.7 | A649 L655 E656 E657 | A649-Q653 PolarHBondContact O-N 3.03Å; Q653-L655 PolarHBondContact O-N 3.16Å; Q653-E656 PolarHBondContact O-N 2.9Å; Q653-E656 VanDerWaalsContact O-N 3.1Å; Q653-E657 HydrophobicContact CG-CG 4.33Å; Q653-E657 WeakPolarHBondContact CG-OE1 3.22Å; Q653-E657 PolarHBondContact NE2-OE1 3.14Å; Q653-E657 WeakPolarHBondContact O-CB 3.4Å; Q653-E657 WeakPolarHBondContact O-CG 3.41Å; Q653-E657 PolarHBondContact O-N 3.18Å |
| 654 | A | 97.8 | Very high | 97.5 | Very high | 41 Ų | 41 | 106.5 Ų | 106.5 | 34% | 0.339 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67 | -17.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R650 R652 K658 | R650-A654 VanDerWaalsContact O-CB 3.31Å; R650-A654 WeakPolarHBondContact O-CB 3.47Å; R650-A654 PolarHBondContact O-N 2.78Å; R652-A654 PolarHBondContact O-N 3.02Å; A654-K658 WeakPolarHBondContact O-CD 3.47Å; A654-K658 VanDerWaalsContact O-CG 3.24Å; A654-K658 WeakPolarHBondContact O-CG 3.49Å |
| 655 | L | 97.9 | Very high | 97.6 | Very high | 116 Ų | 116 | 109.9 Ų | 109.9 | 61% | 0.607 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -84.8 | -38.1 | 170.2 | -71.9 | 169.3 | 0 | 0 | 0 | 111.4 | R651 R652 Q653 K658 A659 | R651-L655 WeakPolarHBondContact O-CG 3.41Å; R651-L655 PolarHBondContact O-N 3.32Å; R651-L655 VanDerWaalsContact O-N 3.16Å; R652-L655 WeakPolarHBondContact O-CB 3.49Å; R652-L655 PolarHBondContact O-N 2.83Å; R652-L655 VanDerWaalsContact O-N 3.07Å; Q653-L655 PolarHBondContact O-N 3.16Å; L655-K658 PolarHBondContact O-N 3.02Å; L655-A659 PolarHBondContact O-N 3.24Å |
| 656 | E | 97.5 | Very high | 97.6 | Very high | 148 Ų | 148 | 109.4 Ų | 109.4 | 69% | 0.692 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.2 | -42.3 | 174.8 | -173.4 | 169.6 | -168.7 | 0 | 0 | 112 | R652 Q653 K658 A659 S660 | R652-E656 PolarHBondContact O-N 2.98Å; Q653-E656 PolarHBondContact O-N 2.9Å; Q653-E656 VanDerWaalsContact O-N 3.1Å; E656-K658 VanDerWaalsContact C-N 3.3Å; E656-K658 PolarHBondContact O-N 3.12Å; E656-A659 PolarHBondContact O-N 3.42Å; E656-A659 VanDerWaalsContact O-N 3.15Å; E656-S660 PolarHBondContact O-N 2.94Å; E656-S660 PolarHBondContact O-OG 3.12Å |
| 657 | E | 97.4 | Very high | 97.6 | Very high | 103 Ų | 103 | 109.4 Ų | 109.4 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62 | -35.3 | 172.2 | -72.7 | 172.1 | -179.4 | 0 | 0 | 112.3 | Q653 S660 A661 | Q653-E657 HydrophobicContact CG-CG 4.33Å; Q653-E657 WeakPolarHBondContact CG-OE1 3.22Å; Q653-E657 PolarHBondContact NE2-OE1 3.14Å; Q653-E657 WeakPolarHBondContact O-CB 3.4Å; Q653-E657 WeakPolarHBondContact O-CG 3.41Å; Q653-E657 PolarHBondContact O-N 3.18Å; E657-S660 WeakPolarHBondContact CA-OG 3.41Å; E657-S660 PolarHBondContact O-OG 3.28Å; E657-S660 VanDerWaalsContact O-OG 3.08Å; E657-A661 WeakPolarHBondContact O-CB 3.34Å; E657-A661 PolarHBondContact O-N 3.45Å |
| 658 | K | 98.1 | Very high | 97.6 | Very high | 143 Ų | 143 | 113 Ų | 113 | 62% | 0.622 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.2 | -40.8 | 171.7 | -77.4 | 174.5 | -178.2 | -176.2 | 0 | 111.8 | A654 L655 E656 A661 L662 | A654-K658 WeakPolarHBondContact O-CD 3.47Å; A654-K658 VanDerWaalsContact O-CG 3.24Å; A654-K658 WeakPolarHBondContact O-CG 3.49Å; L655-K658 PolarHBondContact O-N 3.02Å; E656-K658 VanDerWaalsContact C-N 3.3Å; E656-K658 PolarHBondContact O-N 3.12Å; K658-A661 PolarHBondContact O-N 2.87Å; K658-L662 WeakPolarHBondContact O-CB 3.22Å; K658-L662 VanDerWaalsContact O-CG 3.3Å; K658-L662 WeakPolarHBondContact O-CG 3.26Å; K658-L662 PolarHBondContact O-N 3.43Å |
| 659 | A | 97.8 | Very high | 97.6 | Very high | 43 Ų | 43 | 111.1 Ų | 111.1 | 36% | 0.355 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L655 E656 L662 R663 | L655-A659 PolarHBondContact O-N 3.24Å; E656-A659 PolarHBondContact O-N 3.42Å; E656-A659 VanDerWaalsContact O-N 3.15Å; A659-L662 PolarHBondContact O-N 3.27Å; A659-R663 WeakPolarHBondContact O-CG 3.17Å; A659-R663 PolarHBondContact O-N 3.38Å |
| 660 | S | 97.8 | Very high | 97.6 | Very high | 58 Ų | 58 | 115.6 Ų | 115.6 | 41% | 0.406 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.4 | -42.5 | 174.8 | 68 | 0 | 0 | 0 | 0 | 111.5 | E656 E657 L662 R663 T664 | E656-S660 PolarHBondContact O-N 2.94Å; E656-S660 PolarHBondContact O-OG 3.12Å; E657-S660 WeakPolarHBondContact CA-OG 3.41Å; E657-S660 PolarHBondContact O-OG 3.28Å; E657-S660 VanDerWaalsContact O-OG 3.08Å; S660-L662 VanDerWaalsContact C-N 3.33Å; S660-L662 PolarHBondContact O-N 3.24Å; S660-R663 PolarHBondContact O-N 3.2Å; S660-T664 PolarHBondContact O-N 3.01Å; S660-T664 PolarHBondContact O-OG1 3.16Å |
| 661 | A | 97.6 | Very high | 97.6 | Very high | 59 Ų | 59 | 115.7 Ų | 115.7 | 49% | 0.488 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | E657 K658 T664 R665 | E657-A661 WeakPolarHBondContact O-CB 3.34Å; E657-A661 PolarHBondContact O-N 3.45Å; K658-A661 PolarHBondContact O-N 2.87Å; A661-T664 PolarHBondContact O-N 2.97Å; A661-R665 WeakPolarHBondContact O-CB 3.4Å; A661-R665 PolarHBondContact O-N 2.83Å |
| 662 | L | 98.1 | Very high | 97.6 | Very high | 113 Ų | 113 | 111.2 Ų | 111.2 | 59% | 0.592 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.1 | -46.5 | 173.6 | -74.8 | 171.9 | 0 | 0 | 0 | 111.7 | K658 A659 S660 T664 R665 E666 | K658-L662 WeakPolarHBondContact O-CB 3.22Å; K658-L662 VanDerWaalsContact O-CG 3.3Å; K658-L662 WeakPolarHBondContact O-CG 3.26Å; K658-L662 PolarHBondContact O-N 3.43Å; A659-L662 PolarHBondContact O-N 3.27Å; S660-L662 VanDerWaalsContact C-N 3.33Å; S660-L662 PolarHBondContact O-N 3.24Å; L662-T664 VanDerWaalsContact C-N 3.33Å; L662-T664 PolarHBondContact O-N 3.26Å; L662-R665 WeakPolarHBondContact O-CB 3.31Å; L662-R665 PolarHBondContact O-N 3.01Å; L662-E666 PolarHBondContact O-N 2.91Å |
| 663 | R | 97.4 | Very high | 97.6 | Very high | 178 Ų | 178 | 109.2 Ų | 109.2 | 67% | 0.672 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59 | -41.4 | 173.6 | -71.6 | 172.5 | 178.3 | 170.4 | 0.2 | 112 | A659 S660 E666 L667 | A659-R663 WeakPolarHBondContact O-CG 3.17Å; A659-R663 PolarHBondContact O-N 3.38Å; S660-R663 PolarHBondContact O-N 3.2Å; R663-E666 PolarHBondContact O-N 3.39Å; R663-L667 WeakPolarHBondContact O-CB 3.4Å; R663-L667 WeakPolarHBondContact O-CG 3.3Å; R663-L667 PolarHBondContact O-N 2.88Å |
| 664 | T | 97.1 | Very high | 97.5 | Very high | 68 Ų | 68 | 107 Ų | 107 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 175.8 | -55.7 | 0 | 0 | 0 | 0 | 112 | S660 A661 L662 R668 | S660-T664 PolarHBondContact O-N 3.01Å; S660-T664 PolarHBondContact O-OG1 3.16Å; A661-T664 PolarHBondContact O-N 2.97Å; L662-T664 VanDerWaalsContact C-N 3.33Å; L662-T664 PolarHBondContact O-N 3.26Å; T664-R668 WeakPolarHBondContact O-CG 3.07Å; T664-R668 PolarHBondContact O-N 3.46Å |
| 665 | R | 97.9 | Very high | 97.5 | Very high | 186 Ų | 186 | 107.6 Ų | 107.6 | 70% | 0.702 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.7 | -43.6 | 172.8 | -179.2 | -179.9 | 176.2 | -178.4 | -0.9 | 111.3 | A661 L662 R668 S669 | A661-R665 WeakPolarHBondContact O-CB 3.4Å; A661-R665 PolarHBondContact O-N 2.83Å; L662-R665 WeakPolarHBondContact O-CB 3.31Å; L662-R665 PolarHBondContact O-N 3.01Å; R665-R668 WeakPolarHBondContact O-CB 3.47Å; R665-R668 PolarHBondContact O-N 2.94Å; R665-S669 PolarHBondContact O-N 3.41Å; R665-S669 PolarHBondContact O-OG 3.4Å |
| 666 | E | 97.8 | Very high | 97.4 | Very high | 89 Ų | 89 | 108.5 Ų | 108.5 | 42% | 0.416 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 179.3 | -161.3 | -163.2 | 148.9 | 0 | 0 | 112.2 | L662 R663 R668 S669 R670 | L662-E666 PolarHBondContact O-N 2.91Å; R663-E666 PolarHBondContact O-N 3.39Å; E666-R668 VanDerWaalsContact C-N 3.3Å; E666-R668 PolarHBondContact O-N 3.47Å; E666-S669 WeakPolarHBondContact CA-OG 3.32Å; E666-S669 PolarHBondContact O-N 3.3Å; E666-S669 PolarHBondContact O-OG 2.84Å; E666-R670 WeakPolarHBondContact O-CB 3.38Å; E666-R670 WeakPolarHBondContact O-CG 3.47Å; E666-R670 PolarHBondContact O-N 3.47Å; E666-R670 IonicContact OE1-CZ 3.84Å; E666-R670 IonicContact OE1-NE 2.73Å; E666-R670 PolarHBondContact OE1-NE 2.87Å; E666-R670 IonicContact OE1-NH2 3.08Å; E666-R670 PolarHBondContact OE1-NH2 3.2Å |
| 667 | L | 98.1 | Very high | 97.2 | Very high | 101 Ų | 101 | 106.9 Ų | 106.9 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -36.9 | 173.4 | -72.4 | 170.8 | 0 | 0 | 0 | 111.9 | R663 R671 | R663-L667 WeakPolarHBondContact O-CB 3.4Å; R663-L667 WeakPolarHBondContact O-CG 3.3Å; R663-L667 PolarHBondContact O-N 2.88Å; L667-R671 WeakPolarHBondContact O-CB 3.39Å; L667-R671 VanDerWaalsContact O-CG 3.27Å; L667-R671 WeakPolarHBondContact O-CG 3.24Å; L667-R671 PolarHBondContact O-N 3.1Å |
| 668 | R | 97.5 | Very high | 97 | Very high | 117 Ų | 117 | 107 Ų | 107 | 44% | 0.442 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 172.1 | -76 | 175.3 | 177.4 | 158.6 | -0.9 | 112.1 | L298 T664 R665 E666 R671 L672 | L298-R668 PolarHBondContact O-NH2 3.48Å; T664-R668 WeakPolarHBondContact O-CG 3.07Å; T664-R668 PolarHBondContact O-N 3.46Å; R665-R668 WeakPolarHBondContact O-CB 3.47Å; R665-R668 PolarHBondContact O-N 2.94Å; E666-R668 VanDerWaalsContact C-N 3.3Å; E666-R668 PolarHBondContact O-N 3.47Å; R668-R671 PolarHBondContact O-N 2.96Å; R668-L672 WeakPolarHBondContact O-CB 3.39Å; R668-L672 PolarHBondContact O-N 3.26Å |
| 669 | S | 96.8 | Very high | 96.6 | Very high | 62 Ų | 62 | 105.3 Ų | 105.3 | 43% | 0.434 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.4 | -38.1 | 177.2 | 51.8 | 0 | 0 | 0 | 0 | 112.8 | R665 E666 L672 Q673 | R665-S669 PolarHBondContact O-N 3.41Å; R665-S669 PolarHBondContact O-OG 3.4Å; E666-S669 WeakPolarHBondContact CA-OG 3.32Å; E666-S669 PolarHBondContact O-N 3.3Å; E666-S669 PolarHBondContact O-OG 2.84Å; S669-L672 PolarHBondContact O-N 3.33Å; S669-Q673 WeakPolarHBondContact O-CB 3.45Å; S669-Q673 PolarHBondContact O-N 3.09Å |
| 670 | R | 97.4 | Very high | 96.1 | Very high | 152 Ų | 152 | 111.8 Ų | 111.8 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.8 | -46 | 172.2 | -72 | 173.4 | -179.4 | -127.9 | 7.8 | 111.2 | E666 L672 Q673 E674 | E666-R670 WeakPolarHBondContact O-CB 3.38Å; E666-R670 WeakPolarHBondContact O-CG 3.47Å; E666-R670 PolarHBondContact O-N 3.47Å; E666-R670 IonicContact OE1-CZ 3.84Å; E666-R670 IonicContact OE1-NE 2.73Å; E666-R670 PolarHBondContact OE1-NE 2.87Å; E666-R670 IonicContact OE1-NH2 3.08Å; E666-R670 PolarHBondContact OE1-NH2 3.2Å; R670-L672 PolarHBondContact O-N 3.49Å; R670-Q673 PolarHBondContact O-N 3.35Å; R670-E674 WeakPolarHBondContact O-CB 3.49Å; R670-E674 PolarHBondContact O-N 2.74Å |
| 671 | R | 97.9 | Very high | 95.6 | Very high | 174 Ų | 174 | 113.5 Ų | 113.5 | 66% | 0.657 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.2 | -38.6 | 174.4 | -75.7 | 175.3 | 179.3 | -168.5 | -1.1 | 113 | L667 R668 E674 V675 | L667-R671 WeakPolarHBondContact O-CB 3.39Å; L667-R671 VanDerWaalsContact O-CG 3.27Å; L667-R671 WeakPolarHBondContact O-CG 3.24Å; L667-R671 PolarHBondContact O-N 3.1Å; R668-R671 PolarHBondContact O-N 2.96Å; R671-E674 PolarHBondContact O-N 3.38Å; R671-V675 WeakPolarHBondContact O-CG2 3.34Å; R671-V675 PolarHBondContact O-N 2.72Å |
| 672 | L | 97.8 | Very high | 94.7 | Very high | 92 Ų | 92 | 113.6 Ų | 113.6 | 48% | 0.482 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.7 | -41.9 | 177.2 | -179.7 | 60.9 | 0 | 0 | 0 | 111.8 | R668 S669 R670 E674 V675 Y676 | R668-L672 WeakPolarHBondContact O-CB 3.39Å; R668-L672 PolarHBondContact O-N 3.26Å; S669-L672 PolarHBondContact O-N 3.33Å; R670-L672 PolarHBondContact O-N 3.49Å; L672-E674 VanDerWaalsContact C-N 3.3Å; L672-E674 PolarHBondContact O-N 2.84Å; L672-V675 PolarHBondContact O-N 2.93Å; L672-Y676 HydrophobicContact CD1-CD2 4.18Å; L672-Y676 HydrophobicContact CD1-CE2 3.65Å; L672-Y676 HydrophobicContact CD2-CE2 4.12Å; L672-Y676 HydrophobicContact CG-CD2 4.01Å; L672-Y676 HydrophobicContact CG-CE2 3.6Å; L672-Y676 WeakPolarHBondContact O-CD2 3.27Å; L672-Y676 PolarHBondContact O-N 2.85Å |
| 673 | Q | 96.1 | Very high | 93.6 | Very high | 142 Ų | 142 | 112.5 Ų | 112.5 | 66% | 0.664 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.8 | -39.3 | 173.2 | -173.3 | 176.4 | 14.6 | 0 | 0 | 111.6 | S669 R670 Y676 R677 | S669-Q673 WeakPolarHBondContact O-CB 3.45Å; S669-Q673 PolarHBondContact O-N 3.09Å; R670-Q673 PolarHBondContact O-N 3.35Å; Q673-Y676 PolarHBondContact O-N 3.13Å; Q673-R677 WeakPolarHBondContact O-CB 3.22Å; Q673-R677 PolarHBondContact O-N 3.14Å |
| 674 | E | 96.4 | Very high | 92.1 | Very high | 63 Ų | 63 | 110.6 Ų | 110.6 | 29% | 0.294 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 173.9 | -178.9 | 59.5 | -165.3 | 0 | 0 | 112.2 | R670 R671 L672 Y676 R677 Q678 | R670-E674 WeakPolarHBondContact O-CB 3.49Å; R670-E674 PolarHBondContact O-N 2.74Å; R671-E674 PolarHBondContact O-N 3.38Å; L672-E674 VanDerWaalsContact C-N 3.3Å; L672-E674 PolarHBondContact O-N 2.84Å; E674-Y676 PolarHBondContact O-N 3.36Å; E674-R677 VanDerWaalsContact CD-NH2 3.3Å; E674-R677 WeakPolarHBondContact O-CB 3.4Å; E674-R677 PolarHBondContact O-N 2.96Å; E674-R677 IonicContact OE1-CZ 3.37Å; E674-R677 IonicContact OE1-NE 2.79Å; E674-R677 IonicContact OE1-NH2 3.04Å; E674-R677 PolarHBondContact OE1-NH2 3.07Å; E674-R677 IonicContact OE2-CZ 2.61Å; E674-R677 IonicContact OE2-NE 3.59Å; E674-R677 PolarHBondContact OE2-NE 3.45Å; E674-R677 IonicContact OE2-NH2 3.16Å; E674-R677 PolarHBondContact OE2-NH2 3.49Å; E674-R677 VanDerWaalsContact OE2-NH2 3.08Å; E674-Q678 WeakPolarHBondContact O-CB 3.47Å; E674-Q678 WeakPolarHBondContact O-CG 3.4Å; E674-Q678 PolarHBondContact O-N 2.86Å; E674-Q678 PolarHBondContact OE1-NE2 3.3Å |
| 675 | V | 97 | Very high | 90.2 | Very high | 53 Ų | 53 | 110.5 Ų | 110.5 | 32% | 0.321 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 172.2 | 167.9 | 0 | 0 | 0 | 0 | 111.3 | R671 L672 R677 Q678 Q679 | R671-V675 WeakPolarHBondContact O-CG2 3.34Å; R671-V675 PolarHBondContact O-N 2.72Å; L672-V675 PolarHBondContact O-N 2.93Å; V675-R677 VanDerWaalsContact C-N 3.32Å; V675-R677 PolarHBondContact O-N 2.88Å; V675-Q678 PolarHBondContact O-N 3.19Å; V675-Q679 HydrophobicContact CG1-CG 4.43Å; V675-Q679 WeakPolarHBondContact O-CB 3.43Å; V675-Q679 VanDerWaalsContact O-CG 3.26Å; V675-Q679 WeakPolarHBondContact O-CG 3.46Å; V675-Q679 PolarHBondContact O-N 2.81Å |
| 676 | Y | 95.6 | Very high | 87.8 | Confident | 135 Ų | 135 | 111.4 Ų | 111.4 | 53% | 0.529 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.1 | -33.3 | 174.4 | -73 | -54.4 | 0 | 0 | 0 | 112.9 | L672 Q673 E674 R680 | L672-Y676 HydrophobicContact CD1-CD2 4.18Å; L672-Y676 HydrophobicContact CD1-CE2 3.65Å; L672-Y676 HydrophobicContact CD2-CE2 4.12Å; L672-Y676 HydrophobicContact CG-CD2 4.01Å; L672-Y676 HydrophobicContact CG-CE2 3.6Å; L672-Y676 WeakPolarHBondContact O-CD2 3.27Å; L672-Y676 PolarHBondContact O-N 2.85Å; Q673-Y676 PolarHBondContact O-N 3.13Å; E674-Y676 PolarHBondContact O-N 3.36Å; Y676-R680 WeakPolarHBondContact O-CG 3.34Å; Y676-R680 PolarHBondContact O-N 2.96Å; Y676-R680 VanDerWaalsContact O-N 3.1Å |
| 677 | R | 94.9 | Very high | 85.2 | Confident | 114 Ų | 114 | 111.8 Ų | 111.8 | 43% | 0.43 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.4 | -52 | 172.3 | -176.9 | 174.2 | 77.7 | 95.4 | -4.4 | 110.8 | Q673 E674 V675 Q679 R680 E681 | Q673-R677 WeakPolarHBondContact O-CB 3.22Å; Q673-R677 PolarHBondContact O-N 3.14Å; E674-R677 VanDerWaalsContact CD-NH2 3.3Å; E674-R677 WeakPolarHBondContact O-CB 3.4Å; E674-R677 PolarHBondContact O-N 2.96Å; E674-R677 IonicContact OE1-CZ 3.37Å; E674-R677 IonicContact OE1-NE 2.79Å; E674-R677 IonicContact OE1-NH2 3.04Å; E674-R677 PolarHBondContact OE1-NH2 3.07Å; E674-R677 IonicContact OE2-CZ 2.61Å; E674-R677 IonicContact OE2-NE 3.59Å; E674-R677 PolarHBondContact OE2-NE 3.45Å; E674-R677 IonicContact OE2-NH2 3.16Å; E674-R677 PolarHBondContact OE2-NH2 3.49Å; E674-R677 VanDerWaalsContact OE2-NH2 3.08Å; V675-R677 VanDerWaalsContact C-N 3.32Å; V675-R677 PolarHBondContact O-N 2.88Å; R677-Q679 VanDerWaalsContact C-N 3.29Å; R677-Q679 PolarHBondContact O-N 2.91Å; R677-R680 WeakPolarHBondContact O-CB 3.48Å; R677-R680 PolarHBondContact O-N 3.39Å; R677-R680 VanDerWaalsContact O-N 3.09Å; R677-E681 WeakPolarHBondContact CD-OE1 3.13Å; R677-E681 HydrophobicContact CG-CG 4.43Å; R677-E681 WeakPolarHBondContact CG-OE1 3.39Å; R677-E681 IonicContact CZ-OE1 3.89Å; R677-E681 IonicContact CZ-OE2 3.5Å; R677-E681 IonicContact NE-OE1 3.61Å; R677-E681 IonicContact NH1-OE1 2.79Å; R677-E681 PolarHBondContact NH1-OE1 3.48Å; R677-E681 IonicContact NH1-OE2 2.74Å; R677-E681 PolarHBondContact NH1-OE2 3.39Å; R677-E681 WeakPolarHBondContact O-CG 3.37Å; R677-E681 PolarHBondContact O-N 2.95Å |
| 678 | Q | 92.3 | Very high | 82.2 | Confident | 104 Ų | 104 | 111.8 Ų | 111.8 | 49% | 0.486 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.9 | -32.7 | 177.9 | -69.1 | 176.4 | 10.5 | 0 | 0 | 112.7 | E674 V675 A682 | E674-Q678 WeakPolarHBondContact O-CB 3.47Å; E674-Q678 WeakPolarHBondContact O-CG 3.4Å; E674-Q678 PolarHBondContact O-N 2.86Å; E674-Q678 PolarHBondContact OE1-NE2 3.3Å; V675-Q678 PolarHBondContact O-N 3.19Å; Q678-A682 WeakPolarHBondContact O-CB 3.32Å; Q678-A682 PolarHBondContact O-N 2.89Å |
| 679 | Q | 89.6 | Confident | 79.2 | Confident | 108 Ų | 108 | 111.1 Ų | 111.1 | 51% | 0.505 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.3 | -43.1 | 171.5 | -78 | 173.7 | -5 | 0 | 0 | 112.1 | V675 R677 V683 | V675-Q679 HydrophobicContact CG1-CG 4.43Å; V675-Q679 WeakPolarHBondContact O-CB 3.43Å; V675-Q679 VanDerWaalsContact O-CG 3.26Å; V675-Q679 WeakPolarHBondContact O-CG 3.46Å; V675-Q679 PolarHBondContact O-N 2.81Å; R677-Q679 VanDerWaalsContact C-N 3.29Å; R677-Q679 PolarHBondContact O-N 2.91Å; Q679-V683 WeakPolarHBondContact O-CB 3.34Å; Q679-V683 VanDerWaalsContact O-CG2 3.26Å; Q679-V683 WeakPolarHBondContact O-CG2 3.47Å; Q679-V683 PolarHBondContact O-N 2.99Å |
| 680 | R | 86.4 | Confident | 76.4 | Confident | 180 Ų | 180 | 115.2 Ų | 115.2 | 68% | 0.679 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.2 | -45.8 | 173.8 | -71.6 | 174.7 | 64.2 | -148.7 | -2.9 | 111.4 | Y676 R677 A682 V683 L684 | Y676-R680 WeakPolarHBondContact O-CG 3.34Å; Y676-R680 PolarHBondContact O-N 2.96Å; Y676-R680 VanDerWaalsContact O-N 3.1Å; R677-R680 WeakPolarHBondContact O-CB 3.48Å; R677-R680 PolarHBondContact O-N 3.39Å; R677-R680 VanDerWaalsContact O-N 3.09Å; R680-A682 PolarHBondContact O-N 3.47Å; R680-V683 PolarHBondContact O-N 3.3Å; R680-L684 WeakPolarHBondContact O-CG 3.5Å; R680-L684 PolarHBondContact O-N 3.42Å |
| 681 | E | 88.3 | Confident | 73.1 | Confident | 93 Ų | 93 | 113.3 Ų | 113.3 | 44% | 0.435 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.6 | -38 | 178.2 | -71.4 | 168.4 | -174.8 | 0 | 0 | 111.6 | R677 L684 G685 | R677-E681 WeakPolarHBondContact CD-OE1 3.13Å; R677-E681 HydrophobicContact CG-CG 4.43Å; R677-E681 WeakPolarHBondContact CG-OE1 3.39Å; R677-E681 IonicContact CZ-OE1 3.89Å; R677-E681 IonicContact CZ-OE2 3.5Å; R677-E681 IonicContact NE-OE1 3.61Å; R677-E681 IonicContact NH1-OE1 2.79Å; R677-E681 PolarHBondContact NH1-OE1 3.48Å; R677-E681 IonicContact NH1-OE2 2.74Å; R677-E681 PolarHBondContact NH1-OE2 3.39Å; R677-E681 WeakPolarHBondContact O-CG 3.37Å; R677-E681 PolarHBondContact O-N 2.95Å; E681-L684 PolarHBondContact O-N 3.19Å; E681-G685 WeakPolarHBondContact O-CA 3.38Å; E681-G685 PolarHBondContact O-N 2.93Å |
| 682 | A | 79.3 | Confident | 69.9 | Low | 61 Ų | 61 | 109.3 Ų | 109.3 | 50% | 0.504 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -73.2 | -29.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q678 R680 L684 R686 | Q678-A682 WeakPolarHBondContact O-CB 3.32Å; Q678-A682 PolarHBondContact O-N 2.89Å; R680-A682 PolarHBondContact O-N 3.47Å; A682-L684 VanDerWaalsContact C-N 3.33Å; A682-R686 PolarHBondContact O-N 3.33Å; A682-R686 VanDerWaalsContact O-N 3.13Å |
| 683 | V | 75.1 | Confident | 67 | Low | 91 Ų | 91 | 115.4 Ų | 115.4 | 55% | 0.552 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.8 | -26.9 | 172.8 | 166.8 | 0 | 0 | 0 | 0 | 111.9 | Q679 R680 | Q679-V683 WeakPolarHBondContact O-CB 3.34Å; Q679-V683 VanDerWaalsContact O-CG2 3.26Å; Q679-V683 WeakPolarHBondContact O-CG2 3.47Å; Q679-V683 PolarHBondContact O-N 2.99Å; R680-V683 PolarHBondContact O-N 3.3Å |
| 684 | L | 64.7 | Low | 63.9 | Low | 138 Ų | 138 | 114.2 Ų | 114.2 | 72% | 0.723 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -90.3 | -30.7 | 174.5 | -66.3 | 168.7 | 0 | 0 | 0 | 113.1 | R680 E681 A682 | R680-L684 WeakPolarHBondContact O-CG 3.5Å; R680-L684 PolarHBondContact O-N 3.42Å; E681-L684 PolarHBondContact O-N 3.19Å; A682-L684 VanDerWaalsContact C-N 3.33Å |
| 685 | G | 57.5 | Low | 60.8 | Low | 65 Ų | 65 | 117 Ų | 117 | 67% | 0.67 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -91 | -10.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E681 A687 | E681-G685 WeakPolarHBondContact O-CA 3.38Å; E681-G685 PolarHBondContact O-N 2.93Å; G685-A687 PolarHBondContact O-N 3.4Å |
| 686 | R | 48.2 | Very low | 57.8 | Low | 206 Ų | 206 | 120.1 Ų | 120.1 | 78% | 0.777 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -68 | 120.4 | 155.1 | -87.9 | -171.6 | 167.4 | -122.7 | -3.3 | 107.6 | A682 V688 | A682-R686 PolarHBondContact O-N 3.33Å; A682-R686 VanDerWaalsContact O-N 3.13Å; R686-V688 PolarHBondContact O-N 2.91Å |
| 687 | A | 42.6 | Very low | 54.7 | Low | 97 Ų | 97 | 116.4 Ų | 116.4 | 80% | 0.802 | 65% | 0.652 | S | S | * | * | | | trans | -50.6 | 113.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | G685 P689 | G685-A687 PolarHBondContact O-N 3.4Å; A687-P689 WeakPolarHBondContact O-CD 3.39Å |
| 688 | V | 34.9 | Very low | 51.6 | Low | 101 Ų | 101 | 118.4 Ų | 118.4 | 61% | 0.612 | 67% | 0.67 | S | S | * | * | | | trans | -67.3 | 114.7 | -177.5 | 171.8 | 0 | 0 | 0 | 0 | 107.3 | R686 V690 | R686-V688 PolarHBondContact O-N 2.91Å; V688-V690 PolarHBondContact O-N 2.9Å |
| 689 | P | 35.2 | Very low | 48.5 | Very low | 102 Ų | 102 | 118.1 Ų | 118.1 | 66% | 0.662 | 68% | 0.675 | S | S | * | * | | | trans | -59.3 | 130.6 | 160.6 | -10.6 | 27 | 0 | 0 | 0 | 105.4 | A687 V691 | A687-P689 WeakPolarHBondContact O-CD 3.39Å; P689-V691 PolarHBondContact O-N 2.94Å |
| 690 | V | 36.8 | Very low | 45.7 | Very low | 148 Ų | 148 | 118.3 Ų | 118.3 | 90% | 0.897 | 68% | 0.684 | S | S | * | * | | | trans | -75.2 | 63.2 | -175.7 | -171.8 | 0 | 0 | 0 | 0 | 110.4 | V688 | V688-V690 PolarHBondContact O-N 2.9Š|
| 691 | V | 29.2 | Very low | 42.9 | Very low | 113 Ų | 113 | 116.9 Ų | 116.9 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | | | trans | -88.6 | 111.6 | 158.4 | -179.9 | 0 | 0 | 0 | 0 | 104.3 | P689 R693 | P689-V691 PolarHBondContact O-N 2.94Å; V691-R693 PolarHBondContact O-N 3.26Å |
| 692 | S | 30.1 | Very low | 40.3 | Very low | 90 Ų | 90 | 117.9 Ų | 117.9 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | | | trans | -49.1 | 129.5 | 177 | 35.8 | 0 | 0 | 0 | 0 | 109.8 | T694 | S692-T694 PolarHBondContact O-N 3.04Å; S692-T694 PolarHBondContact O-OG1 2.99Å |
| 693 | R | 35.9 | Very low | 37.9 | Very low | 220 Ų | 220 | 120.6 Ų | 120.6 | 83% | 0.83 | 71% | 0.707 | S | S | * | * | | | trans | -70.9 | 75.5 | 173.3 | -86.4 | -175.3 | 158 | -161.4 | -3.6 | 109.5 | V691 T695 | V691-R693 PolarHBondContact O-N 3.26Å; R693-T695 PolarHBondContact O-N 2.85Å |
| 694 | T | 32.5 | Very low | 35.6 | Very low | 117 Ų | 117 | 121.3 Ų | 121.3 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | | | trans | -63.8 | 86.8 | 159.5 | 38.4 | 0 | 0 | 0 | 0 | 108 | S692 | S692-T694 PolarHBondContact O-N 3.04Å; S692-T694 PolarHBondContact O-OG1 2.99Å |
| 695 | T | 31.6 | Very low | 34 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | | | trans | -44.1 | 124.4 | 157.4 | -55.4 | 0 | 0 | 0 | 0 | 106.9 | R693 G697 | R693-T695 PolarHBondContact O-N 2.85Å; T695-G697 VanDerWaalsContact C-N 3.32Å; T695-G697 PolarHBondContact O-N 3.22Å |
| 696 | P | 33.6 | Very low | 32.7 | Very low | 119 Ų | 119 | 121.4 Ų | 121.4 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | | | trans | -64.3 | 99.5 | 179 | 25.2 | -32.6 | 0 | 0 | 0 | 107.6 | I698 | P696-I698 PolarHBondContact O-N 3.42Š|
| 697 | G | 29.5 | Very low | 31.8 | Very low | 57 Ų | 57 | 121 Ų | 121 | 59% | 0.588 | 73% | 0.73 | S | S | * | * | | | trans | -56.4 | 130.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | T695 V699 | T695-G697 VanDerWaalsContact C-N 3.32Å; T695-G697 PolarHBondContact O-N 3.22Å; G697-V699 PolarHBondContact O-N 3.42Å |
| 698 | I | 30.7 | Very low | 31.2 | Very low | 157 Ų | 157 | 121.9 Ų | 121.9 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | | | trans | -63.7 | 102.9 | 175.7 | -64.1 | 165 | 0 | 0 | 0 | 106.4 | P696 T700 | P696-I698 PolarHBondContact O-N 3.42Å; I698-T700 VanDerWaalsContact C-N 3.29Å; I698-T700 HydrophobicContact CG2-CG2 4.14Å; I698-T700 PolarHBondContact O-N 2.92Å |
| 699 | V | 26.8 | Very low | 31.1 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | | | trans | -71 | 93 | 176.5 | -171.6 | 0 | 0 | 0 | 0 | 107.1 | G697 F701 | G697-V699 PolarHBondContact O-N 3.42Å; V699-F701 HydrophobicContact CB-CD2 4.13Å; V699-F701 HydrophobicContact CB-CE2 3.73Å; V699-F701 HydrophobicContact CB-CZ 4.05Å; V699-F701 HydrophobicContact CG1-CD1 3.95Å; V699-F701 HydrophobicContact CG1-CD2 3.82Å; V699-F701 HydrophobicContact CG1-CE1 3.65Å; V699-F701 HydrophobicContact CG1-CE2 3.52Å; V699-F701 HydrophobicContact CG1-CG 4.04Å; V699-F701 HydrophobicContact CG1-CZ 3.44Å; V699-F701 VanDerWaalsContact CG1-CZ 3.44Å; V699-F701 VanDerWaalsContact O-CD2 3.27Å; V699-F701 WeakPolarHBondContact O-CD2 3.33Å; V699-F701 PolarHBondContact O-N 2.79Å |
| 700 | T | 30.2 | Very low | 30.7 | Very low | 113 Ų | 113 | 119.4 Ų | 119.4 | 69% | 0.693 | 74% | 0.744 | S | S | * | * | | | trans | -72.4 | 78.2 | 173.2 | 51.8 | 0 | 0 | 0 | 0 | 108.7 | I698 V702 | I698-T700 VanDerWaalsContact C-N 3.29Å; I698-T700 HydrophobicContact CG2-CG2 4.14Å; I698-T700 PolarHBondContact O-N 2.92Å; T700-V702 PolarHBondContact O-N 3.08Å |
| 701 | F | 28.8 | Very low | 30.5 | Very low | 150 Ų | 150 | 120.6 Ų | 120.6 | 66% | 0.658 | 75% | 0.745 | S | S | * | * | | | trans | -60.5 | 100.7 | 169.5 | -64.9 | -78.2 | 0 | 0 | 0 | 108.9 | V699 P703 W724 | V699-F701 HydrophobicContact CB-CD2 4.13Å; V699-F701 HydrophobicContact CB-CE2 3.73Å; V699-F701 HydrophobicContact CB-CZ 4.05Å; V699-F701 HydrophobicContact CG1-CD1 3.95Å; V699-F701 HydrophobicContact CG1-CD2 3.82Å; V699-F701 HydrophobicContact CG1-CE1 3.65Å; V699-F701 HydrophobicContact CG1-CE2 3.52Å; V699-F701 HydrophobicContact CG1-CG 4.04Å; V699-F701 HydrophobicContact CG1-CZ 3.44Å; V699-F701 VanDerWaalsContact CG1-CZ 3.44Å; V699-F701 VanDerWaalsContact O-CD2 3.27Å; V699-F701 WeakPolarHBondContact O-CD2 3.33Å; V699-F701 PolarHBondContact O-N 2.79Å; F701-P703 WeakPolarHBondContact O-CD 3.31Å; F701-W724 HydrophobicContact CD1-CZ3 4.27Å; F701-W724 HydrophobicContact CE1-CE3 4.46Å; F701-W724 AromaticContact CE1-CZ3 3.76Å; F701-W724 HydrophobicContact CE1-CZ3 3.76Å |
| 702 | V | 32.4 | Very low | 30.7 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | | | trans | -96.2 | 105.8 | 168 | 178.6 | 0 | 0 | 0 | 0 | 106.8 | T700 S704 | T700-V702 PolarHBondContact O-N 3.08Å; V702-S704 PolarHBondContact O-N 2.73Å; V702-S704 VanDerWaalsContact O-N 3.09Å |
| 703 | P | 29 | Very low | 30.6 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | | | trans | -72.8 | 102.2 | 174 | 29.1 | -32.6 | 0 | 0 | 0 | 109.1 | F701 S705 | F701-P703 WeakPolarHBondContact O-CD 3.31Å; P703-S705 VanDerWaalsContact C-N 3.34Å; P703-S705 PolarHBondContact O-N 2.79Å |
| 704 | S | 27.3 | Very low | 30.4 | Very low | 106 Ų | 106 | 118.9 Ų | 118.9 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | trans | -70.8 | 87.9 | 172.4 | -65.9 | 0 | 0 | 0 | 0 | 110.3 | V702 A706 | V702-S704 PolarHBondContact O-N 2.73Å; V702-S704 VanDerWaalsContact O-N 3.09Å; S704-A706 PolarHBondContact O-N 3.31Å |
| 705 | S | 30.3 | Very low | 30.2 | Very low | 115 Ų | 115 | 117.2 Ų | 117.2 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -74 | 71.7 | 172.7 | 60.8 | 0 | 0 | 0 | 0 | 111.1 | P703 Q707 | P703-S705 VanDerWaalsContact C-N 3.34Å; P703-S705 PolarHBondContact O-N 2.79Å; S705-Q707 PolarHBondContact O-N 2.72Å |
| 706 | A | 30.3 | Very low | 29.9 | Very low | 89 Ų | 89 | 116.4 Ų | 116.4 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | | | trans | -76.3 | 102.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | S704 S708 | S704-A706 PolarHBondContact O-N 3.31Å; A706-S708 PolarHBondContact O-N 2.99Å; A706-S708 VanDerWaalsContact O-N 3.15Å |
| 707 | Q | 31.2 | Very low | 30.2 | Very low | 197 Ų | 197 | 119.2 Ų | 119.2 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | | | trans | -72.7 | 100.6 | 165.2 | -76.6 | -177.4 | -48 | 0 | 0 | 108.8 | S705 G709 | S705-Q707 PolarHBondContact O-N 2.72Å; Q707-G709 PolarHBondContact O-N 3.29Å; Q707-G709 VanDerWaalsContact O-N 3.17Å |
| 708 | S | 29.5 | Very low | 30.1 | Very low | 116 Ų | 116 | 124 Ų | 124 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | | | trans | -75.3 | 95.5 | 169.5 | 53.1 | 0 | 0 | 0 | 0 | 110 | A706 G710 | A706-S708 PolarHBondContact O-N 2.99Å; A706-S708 VanDerWaalsContact O-N 3.15Å; S708-G710 PolarHBondContact O-N 3.12Å |
| 709 | G | 31.5 | Very low | 29.9 | Very low | 86 Ų | 86 | 120.8 Ų | 120.8 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | | | trans | -76.3 | 106.3 | 163 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q707 | Q707-G709 PolarHBondContact O-N 3.29Å; Q707-G709 VanDerWaalsContact O-N 3.17Å |
| 710 | G | 27.1 | Very low | 30 | Very low | 65 Ų | 65 | 122.2 Ų | 122.2 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | | | trans | -176.5 | 130.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S708 | S708-G710 PolarHBondContact O-N 3.12Š|
| 711 | L | 32.3 | Very low | 29.8 | Very low | 174 Ų | 174 | 122.4 Ų | 122.4 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | | | trans | -43.8 | 152.2 | -161.9 | -80.5 | 67.5 | 0 | 0 | 0 | 118.5 | | |
| 712 | E | 33.4 | Very low | 29.9 | Very low | 171 Ų | 171 | 121.3 Ų | 121.3 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | trans | -40.6 | 132.4 | 161.1 | -79.7 | -70.4 | 157.9 | 0 | 0 | 114.6 | | |
| 713 | A | 29.1 | Very low | 29.6 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -145.4 | 108.1 | 153.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 714 | S | 31.1 | Very low | 29.5 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | trans | -80.3 | 129.6 | -171.1 | -40.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 715 | G | 29.4 | Very low | 29.6 | Very low | 82 Ų | 82 | 127.8 Ų | 127.8 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | trans | 165.2 | 21.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 716 | S | 24.6 | Very low | 29.4 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | -156.6 | 147 | 158.8 | -168.1 | 0 | 0 | 0 | 0 | 112 | | |
| 717 | L | 40.3 | Very low | 29.4 | Very low | 178 Ų | 178 | 133 Ų | 133 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | | | trans | -109.6 | 66.6 | 176 | -153.9 | 173.9 | 0 | 0 | 0 | 108.8 | | |
| 718 | E | 26.3 | Very low | 29.3 | Very low | 157 Ų | 157 | 129 Ų | 129 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | -126.3 | 128.6 | -179.2 | -166.5 | 160.2 | -150.7 | 0 | 0 | 110.2 | | |
| 719 | S | 26.4 | Very low | 29.5 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 62% | 0.622 | 78% | 0.78 | S | S | * | * | | | trans | -71.6 | 147.6 | -178.9 | 63.5 | 0 | 0 | 0 | 0 | 111.3 | V721 | S719-V721 PolarHBondContact O-N 3.16Š|
| 720 | P | 29.2 | Very low | 29.3 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | | | trans | -65.5 | 97 | 176.5 | 27.2 | -34.1 | 0 | 0 | 0 | 110.6 | L722 | P720-L722 PolarHBondContact O-N 3.16Š|
| 721 | V | 26.1 | Very low | 29.3 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | | | trans | -59.5 | 122.8 | 172.5 | 176.1 | 0 | 0 | 0 | 0 | 108.3 | S719 E723 | S719-V721 PolarHBondContact O-N 3.16Å; V721-E723 VanDerWaalsContact C-N 3.34Å; V721-E723 PolarHBondContact O-N 2.98Å |
| 722 | L | 30.1 | Very low | 29.3 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | | | trans | -70.9 | 88 | 178.3 | -80.2 | 159.5 | 0 | 0 | 0 | 110.1 | P720 W724 | P720-L722 PolarHBondContact O-N 3.16Å; L722-W724 HydrophobicContact CB-CZ2 4.15Å; L722-W724 HydrophobicContact CD1-CZ2 4.11Å; L722-W724 HydrophobicContact CD2-CZ2 4.42Å; L722-W724 HydrophobicContact CG-CZ2 4.48Å; L722-W724 PolarHBondContact O-N 3.07Å; L722-W724 PolarHBondContact O-NE1 3.36Å |
| 723 | E | 26.1 | Very low | 29.3 | Very low | 183 Ų | 183 | 131 Ų | 131 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | | | trans | -77.5 | 101.2 | 175.1 | -166.8 | 176 | -167 | 0 | 0 | 110.9 | V721 S725 | V721-E723 VanDerWaalsContact C-N 3.34Å; V721-E723 PolarHBondContact O-N 2.98Å; E723-S725 PolarHBondContact O-N 3.1Å; E723-S725 VanDerWaalsContact O-N 3.16Å |
| 724 | W | 27.9 | Very low | 29.4 | Very low | 184 Ų | 184 | 129.2 Ų | 129.2 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | | | trans | -81 | 93.7 | -174.5 | -60.3 | 95.5 | 0 | 0 | 0 | 112.4 | F701 L722 K726 | F701-W724 HydrophobicContact CD1-CZ3 4.27Å; F701-W724 HydrophobicContact CE1-CE3 4.46Å; F701-W724 AromaticContact CE1-CZ3 3.76Å; F701-W724 HydrophobicContact CE1-CZ3 3.76Å; L722-W724 HydrophobicContact CB-CZ2 4.15Å; L722-W724 HydrophobicContact CD1-CZ2 4.11Å; L722-W724 HydrophobicContact CD2-CZ2 4.42Å; L722-W724 HydrophobicContact CG-CZ2 4.48Å; L722-W724 PolarHBondContact O-N 3.07Å; L722-W724 PolarHBondContact O-NE1 3.36Å; W724-K726 PolarHBondContact O-N 3.2Å; W724-K726 VanDerWaalsContact O-N 3.1Å |
| 725 | S | 29.1 | Very low | 29.6 | Very low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | -67.1 | 106.5 | 174.9 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | E723 V727 | E723-S725 PolarHBondContact O-N 3.1Å; E723-S725 VanDerWaalsContact O-N 3.16Å; S725-V727 PolarHBondContact O-N 3.15Å; S725-V727 VanDerWaalsContact O-N 3.08Å |
| 726 | K | 26.7 | Very low | 29.9 | Very low | 182 Ų | 182 | 133 Ų | 133 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | -78.7 | 85.6 | -177.8 | -176.1 | -171 | 173.1 | -175.3 | 0 | 112.1 | W724 T728 | W724-K726 PolarHBondContact O-N 3.2Å; W724-K726 VanDerWaalsContact O-N 3.1Å; K726-T728 HydrophobicContact CG-CG2 4.39Å; K726-T728 PolarHBondContact O-N 2.91Å; K726-T728 VanDerWaalsContact O-N 3.1Å |
| 727 | V | 29.3 | Very low | 30 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | -78.8 | 90 | 176.5 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | S725 | S725-V727 PolarHBondContact O-N 3.15Å; S725-V727 VanDerWaalsContact O-N 3.08Å |
| 728 | T | 30.2 | Very low | 29.5 | Very low | 114 Ų | 114 | 132 Ų | 132 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | trans | -80.1 | 114.7 | 169.5 | 40.7 | 0 | 0 | 0 | 0 | 111.4 | K726 | K726-T728 HydrophobicContact CG-CG2 4.39Å; K726-T728 PolarHBondContact O-N 2.91Å; K726-T728 VanDerWaalsContact O-N 3.1Å |
| 729 | S | 32.1 | Very low | 29.8 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | -97.6 | 111.6 | -179.8 | -174.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 730 | G | 28.8 | Very low | 30.1 | Very low | 71 Ų | 71 | 130.4 Ų | 130.4 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | | | trans | 71.9 | 111.5 | 153.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 731 | M | 26.7 | Very low | 30.2 | Very low | 173 Ų | 173 | 128.1 Ų | 128.1 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | | | trans | -78.2 | 143.2 | 154.7 | -75.6 | 171.1 | 55.5 | 0 | 0 | 110.1 | L733 | M731-L733 HydrophobicContact CE-CD1 3.91Š|
| 732 | V | 31.9 | Very low | 30.4 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | | | trans | -113.1 | 112.8 | 165.2 | 177.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 733 | L | 34.4 | Very low | 30.5 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | | | trans | -82.6 | 118.5 | 161 | -91.6 | 81.1 | 0 | 0 | 0 | 108 | M731 | M731-L733 HydrophobicContact CE-CD1 3.91Š|
| 734 | G | 30.2 | Very low | 30.5 | Very low | 63 Ų | 63 | 127.7 Ų | 127.7 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | | | trans | 162.9 | 94.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q736 | G734-Q736 VanDerWaalsContact C-N 3.29Å; G734-Q736 PolarHBondContact O-N 3.31Å |
| 735 | G | 36.4 | Very low | 30.7 | Very low | 91 Ų | 91 | 123.7 Ų | 123.7 | 94% | 0.938 | 77% | 0.765 | S | S | * | * | | | trans | -77.9 | 61.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 736 | Q | 34.2 | Very low | 30.7 | Very low | 185 Ų | 185 | 126 Ų | 126 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -150.6 | 81.4 | 169.2 | -163.6 | 165 | 101.4 | 0 | 0 | 112.3 | G734 A738 | G734-Q736 VanDerWaalsContact C-N 3.29Å; G734-Q736 PolarHBondContact O-N 3.31Å; Q736-A738 PolarHBondContact O-N 3.05Å; Q736-A738 VanDerWaalsContact O-N 3.16Å |
| 737 | E | 28 | Very low | 30.9 | Very low | 192 Ų | 192 | 124.7 Ų | 124.7 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | | | trans | -77.9 | 96.6 | 179.8 | -170 | 176.4 | -155.1 | 0 | 0 | 111.4 | | |
| 738 | A | 29.2 | Very low | 30.8 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 58% | 0.579 | 77% | 0.769 | S | S | * | * | | | trans | -76.9 | 121.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q736 G740 | Q736-A738 PolarHBondContact O-N 3.05Å; Q736-A738 VanDerWaalsContact O-N 3.16Å; A738-G740 PolarHBondContact O-N 3.21Å |
| 739 | P | 33.7 | Very low | 30.7 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 90% | 0.903 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 94.5 | -171.8 | 30 | -35.5 | 0 | 0 | 0 | 112.3 | | |
| 740 | G | 32.3 | Very low | 30.3 | Very low | 73 Ų | 73 | 129.3 Ų | 129.3 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 157.3 | -4.2 | 167 | 0 | 0 | 0 | 0 | 0 | 118.6 | A738 | A738-G740 PolarHBondContact O-N 3.21Š|
| 741 | S | 31.5 | Very low | 30.2 | Very low | 81 Ų | 81 | 132.8 Ų | 132.8 | 57% | 0.566 | 76% | 0.762 | S | S | * | * | | | trans | -73.8 | 141.5 | 179.5 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 742 | F | 28.6 | Very low | 30.2 | Very low | 183 Ų | 183 | 132 Ų | 132 | 80% | 0.803 | 76% | 0.756 | S | S | * | * | | | trans | -140.2 | 98.3 | -179.5 | -147.1 | -77.8 | 0 | 0 | 0 | 110.2 | L744 | F742-L744 HydrophobicContact CD1-CD2 4.27Å; F742-L744 HydrophobicContact CE1-CD2 4.33Å; F742-L744 PolarHBondContact O-N 2.67Å |
| 743 | C | 32.3 | Very low | 29.9 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 63% | 0.628 | 76% | 0.756 | S | S | * | * | | | trans | -82.3 | 116.3 | -176.5 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 744 | L | 27.6 | Very low | 29.8 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | trans | -97.4 | 87.5 | 175.7 | -70.9 | 176.4 | 0 | 0 | 0 | 111.4 | F742 L746 | F742-L744 HydrophobicContact CD1-CD2 4.27Å; F742-L744 HydrophobicContact CE1-CD2 4.33Å; F742-L744 PolarHBondContact O-N 2.67Å; L744-L746 PolarHBondContact O-N 2.85Å |
| 745 | C | 32.3 | Very low | 29.8 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 68% | 0.676 | 76% | 0.758 | S | S | * | * | | | trans | -76.1 | 89.4 | 175.5 | -61 | 0 | 0 | 0 | 0 | 111.4 | N747 | C745-N747 PolarHBondContact O-N 2.96Š|
| 746 | L | 27.7 | Very low | 29.5 | Very low | 157 Ų | 157 | 137 Ų | 137 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | trans | -82 | 97.9 | 176.5 | -69.3 | 176.1 | 0 | 0 | 0 | 111.9 | L744 R748 | L744-L746 PolarHBondContact O-N 2.85Å; L746-R748 PolarHBondContact O-N 2.84Å |
| 747 | N | 31.5 | Very low | 29.2 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | | | trans | -69.6 | 94 | 168.1 | -74.7 | -29.9 | 0 | 0 | 0 | 110.5 | C745 A749 | C745-N747 PolarHBondContact O-N 2.96Å; N747-A749 PolarHBondContact O-N 3.08Å |
| 748 | R | 27.1 | Very low | 29.7 | Very low | 202 Ų | 202 | 131.5 Ų | 131.5 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | trans | -78.3 | 98.1 | 169.9 | -174.2 | 178.4 | -176.8 | 179 | -0.3 | 109.5 | L746 W750 | L746-R748 PolarHBondContact O-N 2.84Å; R748-W750 PolarHBondContact O-N 3.37Å |
| 749 | A | 27.6 | Very low | 29.9 | Very low | 86 Ų | 86 | 134 Ų | 134 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | | | trans | -61 | 132.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | N747 | N747-A749 PolarHBondContact O-N 3.08Š|
| 750 | W | 24.9 | Very low | 29.7 | Very low | 172 Ų | 172 | 130.9 Ų | 130.9 | 65% | 0.652 | 75% | 0.746 | S | S | * | * | | | trans | -118.9 | 107.4 | 175.9 | -154.8 | -54.4 | 0 | 0 | 0 | 108.6 | R748 H752 | R748-W750 PolarHBondContact O-N 3.37Å; W750-H752 AromaticContact CD1-CD2 3.67Å; W750-H752 AromaticContact CD1-NE2 3.89Å; W750-H752 AromaticContact NE1-CD2 3.16Å; W750-H752 PolarHBondContact NE1-CD2 2.83Å; W750-H752 AromaticContact NE1-CE1 3.94Å; W750-H752 AromaticContact NE1-CG 3.99Å; W750-H752 AromaticContact NE1-NE2 3.09Å; W750-H752 PolarHBondContact NE1-NE2 3.42Å |
| 751 | N | 26.3 | Very low | 29.8 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | -102.7 | 94.4 | -179.9 | -68.9 | -1.7 | 0 | 0 | 0 | 109.6 | | |
| 752 | H | 26.8 | Very low | 29.7 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | -124.8 | 116.9 | 155.3 | -67 | -29.5 | 0 | 0 | 0 | 107.3 | W750 | W750-H752 AromaticContact CD1-CD2 3.67Å; W750-H752 AromaticContact CD1-NE2 3.89Å; W750-H752 AromaticContact NE1-CD2 3.16Å; W750-H752 PolarHBondContact NE1-CD2 2.83Å; W750-H752 AromaticContact NE1-CE1 3.94Å; W750-H752 AromaticContact NE1-CG 3.99Å; W750-H752 AromaticContact NE1-NE2 3.09Å; W750-H752 PolarHBondContact NE1-NE2 3.42Å |
| 753 | A | 25.8 | Very low | 29.6 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | | | trans | -97.5 | 118 | 163.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 754 | E | 31.3 | Very low | 30.2 | Very low | 185 Ų | 185 | 133.4 Ų | 133.4 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -89.6 | 106.6 | 163.6 | -71.7 | -172.7 | 145.4 | 0 | 0 | 107.4 | L756 | E754-L756 PolarHBondContact O-N 2.98Š|
| 755 | T | 29.9 | Very low | 30.5 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 64% | 0.644 | 78% | 0.779 | S | S | * | * | | | trans | -72.6 | 122.5 | 170.7 | -53.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 756 | L | 30.6 | Very low | 30.4 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | | | trans | -126.5 | 99.3 | 164 | -74.5 | 175.5 | 0 | 0 | 0 | 108.3 | E754 | E754-L756 PolarHBondContact O-N 2.98Š|
| 757 | D | 29 | Very low | 30.3 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -68.9 | 140.5 | 174.8 | -62.4 | -67.8 | 0 | 0 | 0 | 111 | P759 | D757-P759 WeakPolarHBondContact O-CD 3.4Š|
| 758 | P | 36.8 | Very low | 30.2 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | | | trans | -95.4 | 125.9 | 175.3 | 34 | -30.8 | 0 | 0 | 0 | 112.6 | | |
| 759 | P | 34.7 | Very low | 30.2 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | | | trans | -115.8 | 116.3 | 167.9 | 34.8 | -23.5 | 0 | 0 | 0 | 113.5 | D757 | D757-P759 WeakPolarHBondContact O-CD 3.4Š|
| 760 | G | 29.3 | Very low | 30.2 | Very low | 72 Ų | 72 | 132.3 Ų | 132.3 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | trans | 52.8 | 101.3 | 135.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 761 | M | 34.2 | Very low | 30.9 | Very low | 205 Ų | 205 | 130 Ų | 130 | 100% | 1.01 | 78% | 0.783 | S | S | * | * | | | | 60.9 | 104.3 | 114.9 | -154.1 | 170.3 | -160.4 | 0 | 0 | 119.8 | | |
| 762 | G | 29.5 | Very low | 30.8 | Very low | 86 Ų | 86 | 128.6 Ų | 128.6 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | | | trans | 167.1 | 133.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 763 | G | 25.9 | Very low | 30.8 | Very low | 75 Ų | 75 | 127.9 Ų | 127.9 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | -129.4 | -156.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 764 | P | 44.7 | Very low | 30.9 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | cis | -135 | -174.1 | -5.7 | 42.7 | -26.4 | 0 | 0 | 0 | 114.4 | | |
| 765 | Q | 34.7 | Very low | 30.5 | Very low | 161 Ų | 161 | 126.4 Ų | 126.4 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | | | trans | 73.1 | 148 | 156 | -88.3 | -169.7 | -72.5 | 0 | 0 | 122.7 | | |
| 766 | D | 29.6 | Very low | 30.2 | Very low | 139 Ų | 139 | 125.4 Ų | 125.4 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | | | trans | 50.2 | 138.5 | 152.9 | -57.4 | 2.5 | 0 | 0 | 0 | 120.8 | | |
| 767 | G | 26.9 | Very low | 30.3 | Very low | 71 Ų | 71 | 122.9 Ų | 122.9 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | | | cis | -179.8 | -177.2 | -2.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 768 | R | 28.2 | Very low | 30.4 | Very low | 222 Ų | 222 | 122.3 Ų | 122.3 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | | | trans | 2.3 | 136.4 | 156.5 | -92.1 | -173.8 | -75.5 | -101.9 | -5.3 | 118 | | |
| 769 | D | 27.8 | Very low | 29.9 | Very low | 145 Ų | 145 | 121.1 Ų | 121.1 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | cis | -157 | 167.8 | 38.9 | -88.4 | -48.8 | 0 | 0 | 0 | 114.8 | | |
| 770 | A | 27.4 | Very low | 29.6 | Very low | 78 Ų | 78 | 123.8 Ų | 123.8 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | | | trans | -113.9 | 151.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | V772 | A770-V772 HydrophobicContact CB-CG2 4.4Š|
| 771 | P | 39.1 | Very low | 29.3 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | | -135.3 | 161.6 | 87.1 | 15.1 | 8.1 | 0 | 0 | 0 | 112.9 | | |
| 772 | V | 24.9 | Very low | 28.8 | Very low | 116 Ų | 116 | 119.6 Ų | 119.6 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | | | cis | 95.6 | 120.4 | 26.6 | 174.8 | 0 | 0 | 0 | 0 | 114.8 | A770 | A770-V772 HydrophobicContact CB-CG2 4.4Š|
| 773 | L | 26.9 | Very low | 28.6 | Very low | 141 Ų | 141 | 122.6 Ų | 122.6 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | trans | 71.4 | 128 | 163.4 | -73.8 | 166.9 | 0 | 0 | 0 | 121.9 | | |
| 774 | L | 26.9 | Very low | 28.5 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | | | | -152.9 | 104.8 | 99.2 | -91.9 | 166.9 | 0 | 0 | 0 | 107.9 | | |
| 775 | S | 23.3 | Very low | 27.6 | Very low | 84 Ų | 84 | 127.5 Ų | 127.5 | 59% | 0.587 | 76% | 0.756 | S | S | * | * | | | | 78 | 105.8 | 99.7 | -67.9 | 0 | 0 | 0 | 0 | 114 | | |
| 776 | A | 23.4 | Very low | 27.2 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | | | | 85.2 | 113.3 | 56.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 777 | S | 32.3 | Very low | 27 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | | | | 90.4 | 142.4 | 89.6 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 778 | P | 31.1 | Very low | 27.2 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | | | | -142.7 | -168.9 | 70.9 | 26.6 | -2.6 | 0 | 0 | 0 | 114.6 | | |
| 779 | S | 26.7 | Very low | 27.1 | Very low | 98 Ų | 98 | 127 Ų | 127 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | | | | 173.4 | 126.3 | -63.1 | 58.4 | 0 | 0 | 0 | 0 | 111 | | |
| 780 | L | 29.3 | Very low | 27 | Very low | 181 Ų | 181 | 125.3 Ų | 125.3 | 95% | 0.948 | 75% | 0.752 | S | S | * | * | | | trans | -171.8 | 137.4 | 157 | -133.9 | 71.3 | 0 | 0 | 0 | 113.2 | | |
| 781 | G | 23.3 | Very low | 26.9 | Very low | 65 Ų | 65 | 131.4 Ų | 131.4 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | | | trans | 82.1 | 112 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 782 | S | 24 | Very low | 26.4 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | | | | 77.6 | 131.4 | 62.4 | -59.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 783 | L | 24.5 | Very low | 26.6 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | | | cis | -153.4 | 171 | 4.9 | -166.9 | 62.2 | 0 | 0 | 0 | 111.5 | | |
| 784 | E | 24.5 | Very low | 26.9 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 71% | 0.71 | 77% | 0.771 | S | S | * | * | | | trans | -21.6 | 149.3 | 170.9 | -66.3 | 164.1 | 119.8 | 0 | 0 | 119.5 | | |
| 785 | L | 25.2 | Very low | 27 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | | | cis | 77.1 | 77.8 | 44.2 | -162.7 | 103.6 | 0 | 0 | 0 | 115.7 | | |
| 786 | Q | 27 | Very low | 27.3 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | | | | 175.9 | 157.2 | 120.9 | -91.9 | 158.8 | 112.6 | 0 | 0 | 108.4 | | |
| 787 | D | 23.7 | Very low | 27.4 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | cis | -144.6 | 174.6 | 13.6 | -160.9 | 1.9 | 0 | 0 | 0 | 111.9 | | |
| 788 | L | 31.3 | Very low | 27.3 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | -79.8 | 135.2 | 179.2 | -70 | 74.2 | 0 | 0 | 0 | 112.6 | | |
| 789 | T | 25.7 | Very low | 27.3 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | | -162.6 | 122.8 | 127 | 4.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 790 | T | 25.9 | Very low | 27.5 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | | | trans | 44.1 | 109.5 | 147.7 | 43.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 791 | R | 26.7 | Very low | 27.8 | Very low | 207 Ų | 207 | 145.8 Ų | 145.8 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | | | | 49.7 | 116 | 123.2 | -54.9 | 176.7 | -167.9 | -150.6 | 3.6 | 118.9 | | |
| 792 | Y | 27 | Very low | 28.3 | Very low | 209 Ų | 209 | 145.6 Ų | 145.6 | 82% | 0.82 | 75% | 0.75 | S | S | * | * | | | | 178.6 | 136.6 | 97.4 | -99.6 | -71.4 | 0 | 0 | 0 | 111.2 | | |
| 793 | L | 30.1 | Very low | 29.1 | Very low | 160 Ų | 160 | 144.5 Ų | 144.5 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 139.7 | 169.4 | -79.6 | 73.3 | 0 | 0 | 0 | 109.9 | R795 | L793-R795 PolarHBondContact O-N 3.01Š|
| 794 | P | 32.6 | Very low | 29.8 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 85% | 0.851 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 130.2 | -176.4 | 26.2 | -33.6 | 0 | 0 | 0 | 112.4 | | |
| 795 | R | 28.5 | Very low | 30.6 | Very low | 238 Ų | 238 | 142.5 Ų | 142.5 | 90% | 0.898 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -74 | 140.1 | 175.6 | -71.3 | 171.3 | 163 | 177.3 | -5.9 | 111.7 | L793 | L793-R795 PolarHBondContact O-N 3.01Š|
| 796 | G | 30 | Very low | 31.5 | Very low | 67 Ų | 67 | 138.4 Ų | 138.4 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | | | trans | 84.8 | 118.8 | 150.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | C798 | G796-C798 PolarHBondContact O-N 2.77Å; G796-C798 VanDerWaalsContact O-N 3.07Å |
| 797 | M | 26.4 | Very low | 32.2 | Very low | 179 Ų | 179 | 138.5 Ų | 138.5 | 88% | 0.882 | 71% | 0.711 | S | S | * | * | | | trans | -72.6 | 94.6 | 166.6 | -74.1 | 167.7 | 54.3 | 0 | 0 | 110.6 | I799 | M797-I799 PolarHBondContact O-N 2.85Š|
| 798 | C | 29.2 | Very low | 33 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 73% | 0.73 | 71% | 0.712 | S | S | * | * | | | trans | -75.8 | 97.8 | 167.7 | -69.9 | 0 | 0 | 0 | 0 | 110.1 | G796 Y800 | G796-C798 PolarHBondContact O-N 2.77Å; G796-C798 VanDerWaalsContact O-N 3.07Å; C798-Y800 PolarHBondContact O-N 2.88Å; C798-Y800 VanDerWaalsContact O-N 3.12Å |
| 799 | I | 32.4 | Very low | 33.7 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 70% | 0.703 | 71% | 0.706 | S | S | * | * | | | trans | -74.3 | 100.7 | 168.9 | -57.7 | 177.7 | 0 | 0 | 0 | 108 | M797 L801 | M797-I799 PolarHBondContact O-N 2.85Å; I799-L801 HydrophobicContact CG2-CD1 4.45Å; I799-L801 HydrophobicContact CG2-CG 4.2Å |
| 800 | Y | 29.9 | Very low | 34.5 | Very low | 169 Ų | 169 | 136.2 Ų | 136.2 | 66% | 0.663 | 71% | 0.708 | S | S | * | * | | | trans | -81.9 | 140.4 | 167.8 | -140.3 | -97.6 | 0 | 0 | 0 | 109.1 | C798 | C798-Y800 PolarHBondContact O-N 2.88Å; C798-Y800 VanDerWaalsContact O-N 3.12Å |
| 801 | L | 35.3 | Very low | 35.4 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 69% | 0.686 | 70% | 0.702 | S | S | * | * | | | trans | -139.5 | 118.8 | 172.8 | -74.1 | 170.4 | 0 | 0 | 0 | 107.5 | I799 | I799-L801 HydrophobicContact CG2-CD1 4.45Å; I799-L801 HydrophobicContact CG2-CG 4.2Å |
| 802 | D | 33.8 | Very low | 36.4 | Very low | 62 Ų | 62 | 129.1 Ų | 129.1 | 33% | 0.332 | 69% | 0.69 | S | S | . | * | | | trans | -70.6 | 129.5 | 172.9 | -175.9 | -16.3 | 0 | 0 | 0 | 108.8 | K804 E805 A806 | D802-K804 PolarHBondContact O-N 3.19Å; D802-K804 WeakPolarHBondContact OD1-CB 3.47Å; D802-K804 WeakPolarHBondContact OD1-CG 3.35Å; D802-K804 PolarHBondContact OD1-N 2.81Å; D802-E805 HydrophobicContact CB-CB 4.35Å; D802-E805 HydrophobicContact CB-CG 3.93Å; D802-E805 PolarHBondContact N-OE2 3.33Å; D802-E805 PolarHBondContact O-N 3.29Å; D802-A806 PolarHBondContact O-N 3.43Å |
| 803 | P | 40.6 | Very low | 37.6 | Very low | 101 Ų | 101 | 123.5 Ų | 123.5 | 66% | 0.656 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.9 | -29.9 | 168.6 | -30.6 | 36.7 | 0 | 0 | 0 | 114.6 | | |
| 804 | K | 39.9 | Very low | 38.7 | Very low | 142 Ų | 142 | 118.9 Ų | 118.9 | 62% | 0.617 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -39.7 | 176.7 | -62.8 | 173.5 | -178.2 | 171.5 | 0 | 113.2 | D802 A806 E807 H808 | D802-K804 PolarHBondContact O-N 3.19Å; D802-K804 WeakPolarHBondContact OD1-CB 3.47Å; D802-K804 WeakPolarHBondContact OD1-CG 3.35Å; D802-K804 PolarHBondContact OD1-N 2.81Å; K804-A806 PolarHBondContact O-N 2.91Å; K804-E807 PolarHBondContact O-N 3.07Å; K804-H808 PolarHBondContact O-CD2 3.21Å; K804-H808 PolarHBondContact O-N 3.41Å |
| 805 | E | 40.3 | Very low | 39.8 | Very low | 115 Ų | 115 | 118.3 Ų | 118.3 | 54% | 0.537 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -62.1 | -33.9 | 176.7 | -69.4 | 171.6 | 144.7 | 0 | 0 | 110.9 | D802 E807 H808 | D802-E805 HydrophobicContact CB-CB 4.35Å; D802-E805 HydrophobicContact CB-CG 3.93Å; D802-E805 PolarHBondContact N-OE2 3.33Å; D802-E805 PolarHBondContact O-N 3.29Å; E805-E807 VanDerWaalsContact C-N 3.26Å; E805-E807 PolarHBondContact O-N 2.88Å; E805-H808 PolarHBondContact O-N 2.82Å |
| 806 | A | 44.2 | Very low | 41.3 | Very low | 58 Ų | 58 | 111.9 Ų | 111.9 | 48% | 0.479 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.8 | -17.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D802 K804 | D802-A806 PolarHBondContact O-N 3.43Å; K804-A806 PolarHBondContact O-N 2.91Å |
| 807 | E | 43 | Very low | 42.8 | Very low | 170 Ų | 170 | 114.5 Ų | 114.5 | 79% | 0.794 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -88.2 | -23.9 | 173.1 | -65.6 | -167.3 | 155.8 | 0 | 0 | 112.6 | K804 E805 L809 | K804-E807 PolarHBondContact O-N 3.07Å; E805-E807 VanDerWaalsContact C-N 3.26Å; E805-E807 PolarHBondContact O-N 2.88Å; E807-L809 VanDerWaalsContact C-N 3.33Å |
| 808 | H | 40.8 | Very low | 44.8 | Very low | 163 Ų | 163 | 114.4 Ų | 114.4 | 76% | 0.755 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -76.4 | -15.9 | 176.3 | -71.4 | -64.1 | 0 | 0 | 0 | 114 | K804 E805 | K804-H808 PolarHBondContact O-CD2 3.21Å; K804-H808 PolarHBondContact O-N 3.41Å; E805-H808 PolarHBondContact O-N 2.82Å |
| 809 | L | 44.3 | Very low | 47.1 | Very low | 123 Ų | 123 | 115.1 Ų | 115.1 | 64% | 0.644 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -108.2 | 107.6 | 175.2 | -64.4 | 176.9 | 0 | 0 | 0 | 110.9 | E807 T811 | E807-L809 VanDerWaalsContact C-N 3.33Å; L809-T811 PolarHBondContact O-N 2.9Å |
| 810 | G | 42.7 | Very low | 49.5 | Very low | 81 Ų | 81 | 113.3 Ų | 113.3 | 84% | 0.835 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 25.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 811 | T | 45.4 | Very low | 52 | Low | 90 Ų | 90 | 110.1 Ų | 110.1 | 55% | 0.552 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 7.8 | -179.2 | 49.8 | 0 | 0 | 0 | 0 | 113.8 | L809 S813 S814 | L809-T811 PolarHBondContact O-N 2.9Å; T811-S813 PolarHBondContact O-N 3.14Å; T811-S814 PolarHBondContact O-N 2.99Å; T811-S814 VanDerWaalsContact O-N 3.13Å; T811-S814 PolarHBondContact O-OG 3.21Å |
| 812 | S | 48.4 | Very low | 54 | Low | 77 Ų | 77 | 106.5 Ų | 106.5 | 54% | 0.538 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -53.8 | -22.9 | -172.1 | 60 | 0 | 0 | 0 | 0 | 116.5 | S814 H816 | S812-S814 VanDerWaalsContact C-N 3.27Å; S812-S814 PolarHBondContact O-N 2.85Å; S812-H816 WeakPolarHBondContact O-CB 3.5Å; S812-H816 PolarHBondContact O-N 3.15Å |
| 813 | S | 51.7 | Low | 56.4 | Low | 92 Ų | 92 | 108.8 Ų | 108.8 | 64% | 0.643 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.1 | -32.5 | 176 | 60.3 | 0 | 0 | 0 | 0 | 113.6 | T811 L817 | T811-S813 PolarHBondContact O-N 3.14Å; S813-L817 WeakPolarHBondContact O-CG 3.35Å |
| 814 | S | 52.5 | Low | 58.7 | Low | 63 Ų | 63 | 109.5 Ų | 109.5 | 44% | 0.441 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -80 | -47.4 | -174.5 | 63 | 0 | 0 | 0 | 0 | 113.1 | T811 S812 L817 R818 | T811-S814 PolarHBondContact O-N 2.99Å; T811-S814 VanDerWaalsContact O-N 3.13Å; T811-S814 PolarHBondContact O-OG 3.21Å; S812-S814 VanDerWaalsContact C-N 3.27Å; S812-S814 PolarHBondContact O-N 2.85Å; S814-L817 PolarHBondContact O-N 3.4Å; S814-R818 PolarHBondContact O-N 3.42Å |
| 815 | L | 55.9 | Low | 60.9 | Low | 119 Ų | 119 | 108 Ų | 108 | 62% | 0.623 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.6 | -36.7 | -178.4 | -64.1 | 176.3 | 0 | 0 | 0 | 111.8 | L817 R818 H819 | L815-L817 VanDerWaalsContact C-N 3.29Å; L815-L817 PolarHBondContact O-N 2.92Å; L815-R818 PolarHBondContact O-N 3.15Å; L815-H819 PolarHBondContact O-N 3.48Å |
| 816 | H | 60.7 | Low | 63.1 | Low | 103 Ų | 103 | 105.1 Ų | 105.1 | 48% | 0.477 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.6 | -35.1 | 177.2 | -170.5 | 63.7 | 0 | 0 | 0 | 112.9 | S812 K820 | S812-H816 WeakPolarHBondContact O-CB 3.5Å; S812-H816 PolarHBondContact O-N 3.15Å; H816-K820 VanDerWaalsContact NE2-CE 3.33Å; H816-K820 WeakPolarHBondContact NE2-CE 3.38Å; H816-K820 PolarHBondContact NE2-NZ 2.92Å; H816-K820 WeakPolarHBondContact O-CG 3.36Å; H816-K820 PolarHBondContact O-N 2.68Å; H816-K820 VanDerWaalsContact O-N 3.12Å |
| 817 | L | 62.3 | Low | 65.2 | Low | 122 Ų | 122 | 107.2 Ų | 107.2 | 64% | 0.639 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70 | -42 | 173.7 | -71.2 | 171.3 | 0 | 0 | 0 | 111.8 | S813 S814 L815 K820 Q821 | S813-L817 WeakPolarHBondContact O-CG 3.35Å; S814-L817 PolarHBondContact O-N 3.4Å; L815-L817 VanDerWaalsContact C-N 3.29Å; L815-L817 PolarHBondContact O-N 2.92Å; L817-K820 PolarHBondContact O-N 3.02Å; L817-Q821 WeakPolarHBondContact O-CB 3.4Å; L817-Q821 PolarHBondContact O-N 2.9Å |
| 818 | R | 67.7 | Low | 67.6 | Low | 176 Ų | 176 | 104 Ų | 104 | 66% | 0.664 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.4 | -43.8 | 174.8 | -72.5 | -62.1 | -165.8 | 179.8 | 5.8 | 112.3 | S814 L815 Q821 A822 | S814-R818 PolarHBondContact O-N 3.42Å; L815-R818 PolarHBondContact O-N 3.15Å; R818-Q821 PolarHBondContact O-N 2.96Å; R818-A822 PolarHBondContact O-N 3.17Å |
| 819 | H | 76.4 | Confident | 69.9 | Low | 124 Ų | 124 | 100 Ų | 100 | 57% | 0.574 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.8 | -47.7 | 175.8 | -179.9 | 85 | 0 | 0 | 0 | 111.7 | L815 Q821 A822 Q823 | L815-H819 PolarHBondContact O-N 3.48Å; H819-Q821 VanDerWaalsContact C-N 3.32Å; H819-Q821 PolarHBondContact O-N 3.02Å; H819-A822 PolarHBondContact O-N 3.07Å; H819-Q823 WeakPolarHBondContact O-CB 3.49Å; H819-Q823 PolarHBondContact O-N 3.05Å |
| 820 | K | 83.1 | Confident | 72.2 | Confident | 99 Ų | 99 | 97.8 Ų | 97.8 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.8 | -37 | 175.5 | -80.3 | 174.5 | 167.3 | 168.9 | 0 | 113 | H816 L817 Q823 L824 | H816-K820 VanDerWaalsContact NE2-CE 3.33Å; H816-K820 WeakPolarHBondContact NE2-CE 3.38Å; H816-K820 PolarHBondContact NE2-NZ 2.92Å; H816-K820 WeakPolarHBondContact O-CG 3.36Å; H816-K820 PolarHBondContact O-N 2.68Å; H816-K820 VanDerWaalsContact O-N 3.12Å; L817-K820 PolarHBondContact O-N 3.02Å; K820-Q823 PolarHBondContact O-N 3.07Å; K820-L824 WeakPolarHBondContact O-CB 3.46Å; K820-L824 VanDerWaalsContact O-CG 3.31Å; K820-L824 WeakPolarHBondContact O-CG 3.28Å; K820-L824 PolarHBondContact O-N 3.03Å |
| 821 | Q | 83.2 | Confident | 74.5 | Confident | 102 Ų | 102 | 96.5 Ų | 96.5 | 48% | 0.477 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.8 | -40.5 | 176.6 | -168.2 | 167.9 | 15.4 | 0 | 0 | 112.1 | L817 R818 H819 L824 Q825 | L817-Q821 WeakPolarHBondContact O-CB 3.4Å; L817-Q821 PolarHBondContact O-N 2.9Å; R818-Q821 PolarHBondContact O-N 2.96Å; H819-Q821 VanDerWaalsContact C-N 3.32Å; H819-Q821 PolarHBondContact O-N 3.02Å; Q821-L824 PolarHBondContact O-N 3.34Å; Q821-Q825 WeakPolarHBondContact O-CG 3.46Å; Q821-Q825 PolarHBondContact O-N 2.91Å |
| 822 | A | 77.4 | Confident | 76.6 | Confident | 55 Ų | 55 | 97.6 Ų | 97.6 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | R818 H819 Q825 A826 | R818-A822 PolarHBondContact O-N 3.17Å; H819-A822 PolarHBondContact O-N 3.07Å; A822-Q825 PolarHBondContact O-N 3.42Å; A822-A826 PolarHBondContact O-N 3.32Å |
| 823 | Q | 84.3 | Confident | 78.8 | Confident | 110 Ų | 110 | 97.7 Ų | 97.7 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 174.5 | -171 | -177.8 | 27.1 | 0 | 0 | 111.9 | H819 K820 A826 L827 | H819-Q823 WeakPolarHBondContact O-CB 3.49Å; H819-Q823 PolarHBondContact O-N 3.05Å; K820-Q823 PolarHBondContact O-N 3.07Å; Q823-A826 PolarHBondContact O-N 2.71Å; Q823-L827 HydrophobicContact CG-CD1 4.45Å; Q823-L827 WeakPolarHBondContact O-CG 3.29Å; Q823-L827 PolarHBondContact O-N 3.41Å |
| 824 | L | 87.7 | Confident | 80.8 | Confident | 116 Ų | 116 | 98.2 Ų | 98.2 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.2 | -40.2 | 175.6 | -73.8 | 169.5 | 0 | 0 | 0 | 112 | K820 Q821 L827 E828 | K820-L824 WeakPolarHBondContact O-CB 3.46Å; K820-L824 VanDerWaalsContact O-CG 3.31Å; K820-L824 WeakPolarHBondContact O-CG 3.28Å; K820-L824 PolarHBondContact O-N 3.03Å; Q821-L824 PolarHBondContact O-N 3.34Å; L824-L827 PolarHBondContact O-N 3.07Å; L824-E828 WeakPolarHBondContact O-CB 3.34Å; L824-E828 PolarHBondContact O-N 3.45Å |
| 825 | Q | 86.4 | Confident | 82.8 | Confident | 111 Ų | 111 | 101.3 Ų | 101.3 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 175 | -74.3 | 177.8 | -45.5 | 0 | 0 | 112.3 | Q821 A822 E828 T829 | Q821-Q825 WeakPolarHBondContact O-CG 3.46Å; Q821-Q825 PolarHBondContact O-N 2.91Å; A822-Q825 PolarHBondContact O-N 3.42Å; Q825-E828 PolarHBondContact O-N 3.3Å; Q825-T829 WeakPolarHBondContact O-CG2 3.35Å; Q825-T829 PolarHBondContact O-N 3.15Å; Q825-T829 PolarHBondContact O-OG1 2.9Å |
| 826 | A | 86.3 | Confident | 84.6 | Confident | 53 Ų | 53 | 101.8 Ų | 101.8 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -35.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A822 Q823 T829 T830 | A822-A826 PolarHBondContact O-N 3.32Å; Q823-A826 PolarHBondContact O-N 2.71Å; A826-T829 PolarHBondContact O-OG1 2.77Å; A826-T830 WeakPolarHBondContact O-CB 3.47Å; A826-T830 WeakPolarHBondContact O-CG2 3.34Å; A826-T830 PolarHBondContact O-N 3.34Å; A826-T830 VanDerWaalsContact O-N 3.12Å; A826-T830 PolarHBondContact O-OG1 3.29Å |
| 827 | L | 90 | Very high | 86.2 | Confident | 102 Ų | 102 | 104.5 Ų | 104.5 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.1 | -35.6 | 172 | -69.8 | 170 | 0 | 0 | 0 | 111.9 | Q823 L824 T830 A831 | Q823-L827 HydrophobicContact CG-CD1 4.45Å; Q823-L827 WeakPolarHBondContact O-CG 3.29Å; Q823-L827 PolarHBondContact O-N 3.41Å; L824-L827 PolarHBondContact O-N 3.07Å; L827-T830 WeakPolarHBondContact CA-OG1 3.43Å; L827-T830 PolarHBondContact O-OG1 3.09Å; L827-A831 WeakPolarHBondContact O-CB 3.33Å; L827-A831 PolarHBondContact O-N 3.08Å |
| 828 | E | 92.4 | Very high | 87.8 | Confident | 102 Ų | 102 | 102.8 Ų | 102.8 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.8 | -41.7 | 176.8 | -163 | -167.1 | 153.8 | 0 | 0 | 112.3 | L824 Q825 A831 K832 | L824-E828 WeakPolarHBondContact O-CB 3.34Å; L824-E828 PolarHBondContact O-N 3.45Å; Q825-E828 PolarHBondContact O-N 3.3Å; E828-A831 PolarHBondContact O-N 2.92Å; E828-K832 VanDerWaalsContact O-CG 3.32Å; E828-K832 WeakPolarHBondContact O-CG 3.44Å; E828-K832 PolarHBondContact O-N 3.22Å; E828-K832 WeakPolarHBondContact OE1-CE 3.44Å; E828-K832 IonicContact OE1-NZ 2.69Å; E828-K832 PolarHBondContact OE1-NZ 2.93Å |
| 829 | T | 90.1 | Very high | 89 | Confident | 80 Ų | 80 | 98 Ų | 98 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.7 | -43.1 | 176.9 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | Q825 A826 A831 K832 V833 | Q825-T829 WeakPolarHBondContact O-CG2 3.35Å; Q825-T829 PolarHBondContact O-N 3.15Å; Q825-T829 PolarHBondContact O-OG1 2.9Å; A826-T829 PolarHBondContact O-OG1 2.77Å; T829-A831 PolarHBondContact O-N 3.08Å; T829-K832 PolarHBondContact O-N 2.84Å; T829-V833 WeakPolarHBondContact O-CG2 3.45Å; T829-V833 PolarHBondContact O-N 2.8Å |
| 830 | T | 91.5 | Very high | 89.8 | Confident | 76 Ų | 76 | 95 Ų | 95 | 47% | 0.466 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 174.6 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | A826 L827 K832 V833 L834 | A826-T830 WeakPolarHBondContact O-CB 3.47Å; A826-T830 WeakPolarHBondContact O-CG2 3.34Å; A826-T830 PolarHBondContact O-N 3.34Å; A826-T830 VanDerWaalsContact O-N 3.12Å; A826-T830 PolarHBondContact O-OG1 3.29Å; L827-T830 WeakPolarHBondContact CA-OG1 3.43Å; L827-T830 PolarHBondContact O-OG1 3.09Å; T830-K832 PolarHBondContact O-N 2.9Å; T830-V833 PolarHBondContact O-N 3.45Å; T830-L834 WeakPolarHBondContact O-CB 3.31Å; T830-L834 VanDerWaalsContact O-CG 3.3Å; T830-L834 WeakPolarHBondContact O-CG 3.22Å; T830-L834 PolarHBondContact O-N 3.31Å |
| 831 | A | 90.4 | Very high | 90.1 | Very high | 55 Ų | 55 | 95.2 Ų | 95.2 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L827 E828 T829 L834 K835 | L827-A831 WeakPolarHBondContact O-CB 3.33Å; L827-A831 PolarHBondContact O-N 3.08Å; E828-A831 PolarHBondContact O-N 2.92Å; T829-A831 PolarHBondContact O-N 3.08Å; A831-L834 PolarHBondContact O-N 3.48Å; A831-K835 PolarHBondContact O-N 3.45Å |
| 832 | K | 90.4 | Very high | 90.2 | Very high | 113 Ų | 113 | 93.3 Ų | 93.3 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 175.2 | -74.4 | 168.8 | -175.8 | 171.5 | 0 | 112.3 | E828 T829 T830 K835 Q836 | E828-K832 VanDerWaalsContact O-CG 3.32Å; E828-K832 WeakPolarHBondContact O-CG 3.44Å; E828-K832 PolarHBondContact O-N 3.22Å; E828-K832 WeakPolarHBondContact OE1-CE 3.44Å; E828-K832 IonicContact OE1-NZ 2.69Å; E828-K832 PolarHBondContact OE1-NZ 2.93Å; T829-K832 PolarHBondContact O-N 2.84Å; T830-K832 PolarHBondContact O-N 2.9Å; K832-K835 PolarHBondContact O-N 3.38Å; K832-Q836 WeakPolarHBondContact O-CG 3.42Å; K832-Q836 PolarHBondContact O-N 2.93Å |
| 833 | V | 94.6 | Very high | 90.4 | Very high | 78 Ų | 78 | 93.5 Ų | 93.5 | 47% | 0.473 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | T829 T830 Q836 R837 | T829-V833 WeakPolarHBondContact O-CG2 3.45Å; T829-V833 PolarHBondContact O-N 2.8Å; T830-V833 PolarHBondContact O-N 3.45Å; V833-Q836 PolarHBondContact O-N 3.32Å; V833-R837 WeakPolarHBondContact O-CG 3.36Å; V833-R837 PolarHBondContact O-N 2.92Å |
| 834 | L | 93.6 | Very high | 90.4 | Very high | 104 Ų | 104 | 95.4 Ų | 95.4 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 174.5 | -73.5 | 171.2 | 0 | 0 | 0 | 111.7 | T830 A831 R837 V838 | T830-L834 WeakPolarHBondContact O-CB 3.31Å; T830-L834 VanDerWaalsContact O-CG 3.3Å; T830-L834 WeakPolarHBondContact O-CG 3.22Å; T830-L834 PolarHBondContact O-N 3.31Å; A831-L834 PolarHBondContact O-N 3.48Å; L834-R837 PolarHBondContact O-N 3.05Å; L834-V838 WeakPolarHBondContact O-CG2 3.38Å; L834-V838 PolarHBondContact O-N 3.32Å |
| 835 | K | 94.3 | Very high | 90.1 | Very high | 127 Ų | 127 | 95.6 Ų | 95.6 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.4 | -50.8 | 173.6 | -167.8 | -167.6 | 179.1 | -86.3 | 0 | 111.2 | A831 K832 R837 V838 D839 | A831-K835 PolarHBondContact O-N 3.45Å; K832-K835 PolarHBondContact O-N 3.38Å; K835-R837 VanDerWaalsContact C-N 3.26Å; K835-R837 PolarHBondContact O-N 3.5Å; K835-V838 PolarHBondContact O-N 2.85Å; K835-V838 VanDerWaalsContact O-N 3.07Å; K835-D839 IonicContact NZ-OD1 3.55Å; K835-D839 IonicContact NZ-OD2 3.53Å; K835-D839 PolarHBondContact NZ-OD2 3.2Å; K835-D839 WeakPolarHBondContact O-CB 3.39Å; K835-D839 PolarHBondContact O-N 2.81Å |
| 836 | Q | 93.4 | Very high | 89.6 | Confident | 129 Ų | 129 | 96 Ų | 96 | 60% | 0.603 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.1 | -36.1 | 178.9 | -73.8 | 175.1 | -38.8 | 0 | 0 | 112.8 | K832 V833 S840 | K832-Q836 WeakPolarHBondContact O-CG 3.42Å; K832-Q836 PolarHBondContact O-N 2.93Å; V833-Q836 PolarHBondContact O-N 3.32Å; Q836-S840 VanDerWaalsContact O-CB 3.23Å; Q836-S840 WeakPolarHBondContact O-CB 3.43Å; Q836-S840 PolarHBondContact O-N 2.96Å |
| 837 | R | 95.1 | Very high | 88.4 | Confident | 160 Ų | 160 | 95.9 Ų | 95.9 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68 | -40.7 | 174 | -71.5 | -179.8 | 70.1 | -171 | 2.3 | 112.4 | V833 L834 K835 L841 | V833-R837 WeakPolarHBondContact O-CG 3.36Å; V833-R837 PolarHBondContact O-N 2.92Å; L834-R837 PolarHBondContact O-N 3.05Å; K835-R837 VanDerWaalsContact C-N 3.26Å; K835-R837 PolarHBondContact O-N 3.5Å; R837-L841 WeakPolarHBondContact O-CB 2.95Å; R837-L841 VanDerWaalsContact O-CG 3.25Å; R837-L841 WeakPolarHBondContact O-CG 3.34Å; R837-L841 PolarHBondContact O-N 2.97Å |
| 838 | V | 96.4 | Very high | 86.8 | Confident | 86 Ų | 86 | 93.5 Ų | 93.5 | 52% | 0.521 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -52.3 | 174 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | L834 K835 S840 L841 T842 | L834-V838 WeakPolarHBondContact O-CG2 3.38Å; L834-V838 PolarHBondContact O-N 3.32Å; K835-V838 PolarHBondContact O-N 2.85Å; K835-V838 VanDerWaalsContact O-N 3.07Å; V838-S840 VanDerWaalsContact C-N 3.27Å; V838-S840 PolarHBondContact O-N 3.23Å; V838-L841 PolarHBondContact O-N 3Å; V838-T842 PolarHBondContact O-N 2.82Å; V838-T842 PolarHBondContact O-OG1 3.04Å |
| 839 | D | 93.1 | Very high | 84.7 | Confident | 75 Ų | 75 | 95.4 Ų | 95.4 | 40% | 0.401 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -54.8 | -42.8 | 178.8 | -63.1 | -20 | 0 | 0 | 0 | 111.2 | K835 A843 | K835-D839 IonicContact NZ-OD1 3.55Å; K835-D839 IonicContact NZ-OD2 3.53Å; K835-D839 PolarHBondContact NZ-OD2 3.2Å; K835-D839 WeakPolarHBondContact O-CB 3.39Å; K835-D839 PolarHBondContact O-N 2.81Å; D839-A843 WeakPolarHBondContact O-CB 3.21Å; D839-A843 PolarHBondContact O-N 3.32Å |
| 840 | S | 91.4 | Very high | 82.8 | Confident | 63 Ų | 63 | 94.7 Ų | 94.7 | 44% | 0.441 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.9 | -38.7 | 176.7 | -176.8 | 0 | 0 | 0 | 0 | 113.5 | Q836 V838 K844 | Q836-S840 VanDerWaalsContact O-CB 3.23Å; Q836-S840 WeakPolarHBondContact O-CB 3.43Å; Q836-S840 PolarHBondContact O-N 2.96Å; V838-S840 VanDerWaalsContact C-N 3.27Å; V838-S840 PolarHBondContact O-N 3.23Å; S840-K844 WeakPolarHBondContact O-CG 3.45Å; S840-K844 PolarHBondContact O-N 2.74Å |
| 841 | L | 89.4 | Confident | 80.6 | Confident | 103 Ų | 103 | 97.9 Ų | 97.9 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.6 | -39.9 | 175.3 | -73.3 | 168.8 | 0 | 0 | 0 | 111.5 | R837 V838 K844 L845 | R837-L841 WeakPolarHBondContact O-CB 2.95Å; R837-L841 VanDerWaalsContact O-CG 3.25Å; R837-L841 WeakPolarHBondContact O-CG 3.34Å; R837-L841 PolarHBondContact O-N 2.97Å; V838-L841 PolarHBondContact O-N 3Å; L841-K844 PolarHBondContact O-N 2.79Å; L841-L845 WeakPolarHBondContact O-CG 3.34Å; L841-L845 PolarHBondContact O-N 2.8Å |
| 842 | T | 86.6 | Confident | 78.4 | Confident | 61 Ų | 61 | 102.2 Ų | 102.2 | 37% | 0.374 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 173.8 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | V838 K844 L845 Q846 | V838-T842 PolarHBondContact O-N 2.82Å; V838-T842 PolarHBondContact O-OG1 3.04Å; T842-K844 VanDerWaalsContact C-N 3.32Å; T842-K844 PolarHBondContact O-N 2.84Å; T842-L845 PolarHBondContact O-N 3.24Å; T842-Q846 WeakPolarHBondContact O-CG 3.4Å; T842-Q846 PolarHBondContact O-N 2.99Å |
| 843 | A | 81.8 | Confident | 76.1 | Confident | 59 Ų | 59 | 102.2 Ų | 102.2 | 49% | 0.488 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62 | -37.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | D839 G847 | D839-A843 WeakPolarHBondContact O-CB 3.21Å; D839-A843 PolarHBondContact O-N 3.32Å; A843-G847 PolarHBondContact O-N 3.19Å |
| 844 | K | 84.6 | Confident | 73.5 | Confident | 150 Ų | 150 | 104.9 Ų | 104.9 | 65% | 0.652 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.9 | -35.7 | 175.1 | -76.2 | -179.3 | 178.4 | -168.7 | 0 | 113.3 | S840 L841 T842 A848 | S840-K844 WeakPolarHBondContact O-CG 3.45Å; S840-K844 PolarHBondContact O-N 2.74Å; L841-K844 PolarHBondContact O-N 2.79Å; T842-K844 VanDerWaalsContact C-N 3.32Å; T842-K844 PolarHBondContact O-N 2.84Å; K844-A848 PolarHBondContact O-N 3.09Å |
| 845 | L | 81.3 | Confident | 70.7 | Confident | 121 Ų | 121 | 111.1 Ų | 111.1 | 63% | 0.634 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.5 | -45.7 | 175.2 | -69.7 | 168 | 0 | 0 | 0 | 111.3 | L841 T842 G847 A848 E849 | L841-L845 WeakPolarHBondContact O-CG 3.34Å; L841-L845 PolarHBondContact O-N 2.8Å; T842-L845 PolarHBondContact O-N 3.24Å; L845-G847 VanDerWaalsContact C-N 3.3Å; L845-G847 PolarHBondContact O-N 3.12Å; L845-A848 WeakPolarHBondContact O-CB 3.26Å; L845-A848 PolarHBondContact O-N 2.8Å; L845-E849 PolarHBondContact O-N 3.13Å; L845-E849 VanDerWaalsContact O-N 3.16Å |
| 846 | Q | 75 | Confident | 67.5 | Low | 120 Ų | 120 | 112.7 Ų | 112.7 | 56% | 0.561 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.2 | -35 | 176.5 | -70.5 | 173.2 | -18.5 | 0 | 0 | 112.4 | T842 A848 A850 | T842-Q846 WeakPolarHBondContact O-CG 3.4Å; T842-Q846 PolarHBondContact O-N 2.99Å; Q846-A848 VanDerWaalsContact C-N 3.26Å; Q846-A848 PolarHBondContact O-N 2.9Å; Q846-A850 PolarHBondContact O-N 3.03Å |
| 847 | G | 61.6 | Low | 65.4 | Low | 49 Ų | 49 | 111.4 Ų | 111.4 | 51% | 0.505 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.7 | -20.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A843 L845 | A843-G847 PolarHBondContact O-N 3.19Å; L845-G847 VanDerWaalsContact C-N 3.3Å; L845-G847 PolarHBondContact O-N 3.12Å |
| 848 | A | 56.5 | Low | 62.6 | Low | 52 Ų | 52 | 108.4 Ų | 108.4 | 43% | 0.43 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -81.9 | -45.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K844 L845 Q846 A850 L851 | K844-A848 PolarHBondContact O-N 3.09Å; L845-A848 WeakPolarHBondContact O-CB 3.26Å; L845-A848 PolarHBondContact O-N 2.8Å; Q846-A848 VanDerWaalsContact C-N 3.26Å; Q846-A848 PolarHBondContact O-N 2.9Å; A848-A850 PolarHBondContact O-N 3.08Å; A848-A850 VanDerWaalsContact O-N 3.15Å; A848-L851 PolarHBondContact O-N 2.61Å |
| 849 | E | 48.5 | Very low | 59.6 | Low | 142 Ų | 142 | 111.5 Ų | 111.5 | 66% | 0.664 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -57 | -29.9 | 174.9 | -75.3 | -176.8 | 115 | 0 | 0 | 112.9 | L845 L851 T853 | L845-E849 PolarHBondContact O-N 3.13Å; L845-E849 VanDerWaalsContact O-N 3.16Å; E849-L851 VanDerWaalsContact C-N 3.26Å; E849-L851 PolarHBondContact O-N 2.89Å; E849-T853 PolarHBondContact O-OG1 3.05Å |
| 850 | A | 48.7 | Very low | 56.7 | Low | 65 Ų | 65 | 111.1 Ų | 111.1 | 54% | 0.537 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.7 | -16.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q846 A848 | Q846-A850 PolarHBondContact O-N 3.03Å; A848-A850 PolarHBondContact O-N 3.08Å; A848-A850 VanDerWaalsContact O-N 3.15Å |
| 851 | L | 46.3 | Very low | 53.9 | Low | 144 Ų | 144 | 116 Ų | 116 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -33.7 | 179.8 | -144.8 | 76.3 | 0 | 0 | 0 | 112.4 | A848 E849 T853 | A848-L851 PolarHBondContact O-N 2.61Å; E849-L851 VanDerWaalsContact C-N 3.26Å; E849-L851 PolarHBondContact O-N 2.89Å; L851-T853 VanDerWaalsContact C-N 3.27Å; L851-T853 PolarHBondContact O-N 2.85Å |
| 852 | D | 44.4 | Very low | 51 | Low | 145 Ų | 145 | 117.9 Ų | 117.9 | 78% | 0.775 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -2.7 | -176.4 | -75.4 | -35.4 | 0 | 0 | 0 | 114.4 | | |
| 853 | T | 41.4 | Very low | 48.3 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 69% | 0.693 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -7.7 | -178.5 | 33.3 | 0 | 0 | 0 | 0 | 114.9 | E849 L851 R855 | E849-T853 PolarHBondContact O-OG1 3.05Å; L851-T853 VanDerWaalsContact C-N 3.27Å; L851-T853 PolarHBondContact O-N 2.85Å; T853-R855 PolarHBondContact O-N 3.37Å |
| 854 | V | 40.6 | Very low | 45.7 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | | | trans | -94.1 | 76.4 | 175.6 | -172 | 0 | 0 | 0 | 0 | 110.8 | | |
| 855 | R | 33.4 | Very low | 42.9 | Very low | 234 Ų | 234 | 126.4 Ų | 126.4 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | | | trans | -134.2 | 100.5 | 168.4 | -180 | -173.3 | 164.4 | -173.8 | -5.1 | 110.4 | T853 | T853-R855 PolarHBondContact O-N 3.37Š|
| 856 | D | 28.5 | Very low | 40.4 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 86% | 0.861 | 73% | 0.73 | S | S | * | * | | | trans | -130.3 | 140.2 | 168.2 | -157.9 | 33.5 | 0 | 0 | 0 | 109.3 | | |
| 857 | P | 49.3 | Very low | 38 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 66% | 0.662 | 74% | 0.744 | S | S | * | * | | | trans | -109.2 | 144.8 | -162.6 | 38.3 | -30.3 | 0 | 0 | 0 | 115.7 | | |
| 858 | A | 36.6 | Very low | 36.3 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | | | trans | 59.8 | 118.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 859 | V | 32.9 | Very low | 35.2 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 92% | 0.915 | 78% | 0.782 | S | S | * | * | | | | -155.9 | 147 | 99.9 | 147.7 | 0 | 0 | 0 | 0 | 106.4 | | |
| 860 | G | 31.7 | Very low | 34.2 | Very low | 68 Ų | 68 | 137.6 Ų | 137.6 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | -128.3 | 160.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 861 | L | 32.2 | Very low | 33.1 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | | | trans | -163.4 | 152.9 | 159.5 | -105.3 | 164.8 | 0 | 0 | 0 | 110.6 | | |
| 862 | L | 29.3 | Very low | 32.3 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | | | trans | 58.3 | 92.8 | 159.1 | -66.1 | 164.9 | 0 | 0 | 0 | 120.5 | | |
| 863 | R | 29.1 | Very low | 31.8 | Very low | 224 Ų | 224 | 136.1 Ų | 136.1 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | | | | 27.3 | 110.3 | 105.3 | -178.4 | -166.1 | 175.8 | 168.1 | 0.6 | 116.8 | | |
| 864 | S | 27.8 | Very low | 31.1 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | | 172.7 | 139.2 | 117.6 | -74.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 865 | C | 24.9 | Very low | 30.5 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 135.6 | 164.8 | -55.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 866 | P | 29.4 | Very low | 30.1 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 117 | 158.7 | 32.8 | -25.6 | 0 | 0 | 0 | 110.4 | | |
| 867 | H | 24.7 | Very low | 30 | Very low | 184 Ų | 184 | 130.4 Ų | 130.4 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 134.8 | 158.2 | -74.3 | -59.9 | 0 | 0 | 0 | 109 | | |
| 868 | S | 25.8 | Very low | 29.6 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | | | trans | -161.1 | 106.6 | 159.5 | -78.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 869 | L | 33.2 | Very low | 29 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 139.3 | 163.5 | -75.6 | 165.2 | 0 | 0 | 0 | 108.6 | | |
| 870 | P | 28.5 | Very low | 28.8 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 146.3 | 157.7 | 32.1 | -31.9 | 0 | 0 | 0 | 109.7 | | |
| 871 | A | 24.8 | Very low | 28.5 | Very low | 103 Ų | 103 | 134 Ų | 134 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 154.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 872 | A | 28.5 | Very low | 28.2 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | | | trans | -105.7 | 145.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 873 | P | 35.4 | Very low | 28.7 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | | | trans | -75.6 | 154.3 | -177.8 | 30.6 | -34.8 | 0 | 0 | 0 | 113.4 | | |
| 874 | T | 26.6 | Very low | 28.5 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | | | trans | -80.4 | 148.2 | -168.5 | -42.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 875 | L | 26.9 | Very low | 28.5 | Very low | 168 Ų | 168 | 126.2 Ų | 126.2 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | | | trans | -160.7 | 132.5 | 136.8 | -111.5 | 167.5 | 0 | 0 | 0 | 113.8 | | |
| 876 | A | 26.4 | Very low | 29.4 | Very low | 90 Ų | 90 | 126.4 Ų | 126.4 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | | | trans | 59.2 | 110.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 877 | T | 26.5 | Very low | 29.2 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -74.6 | 160.9 | 148 | 31.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 878 | P | 40.2 | Very low | 29.3 | Very low | 124 Ų | 124 | 119.7 Ų | 119.7 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | | | | -143.6 | -173 | 62.4 | 31.5 | -7.9 | 0 | 0 | 0 | 115.4 | | |
| 879 | T | 24.6 | Very low | 29.3 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 68% | 0.675 | 81% | 0.808 | S | S | * | * | | | cis | -170.4 | 169.2 | -37.3 | -74.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 880 | L | 27.6 | Very low | 29.1 | Very low | 165 Ų | 165 | 118 Ų | 118 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | 77.4 | 142.3 | -178 | -67.5 | 98.1 | 0 | 0 | 0 | 116 | | |
| 881 | A | 25.3 | Very low | 29.9 | Very low | 93 Ų | 93 | 118.1 Ų | 118.1 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | cis | -159.6 | 148.8 | -19.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 882 | T | 25.8 | Very low | 29.9 | Very low | 139 Ų | 139 | 118.9 Ų | 118.9 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | trans | -89.1 | 176.5 | 164.2 | 18.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 883 | P | 40.7 | Very low | 29.9 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | | | cis | -130.3 | -160.9 | 19.9 | 43.4 | -22.9 | 0 | 0 | 0 | 112.7 | | |
| 884 | A | 23.9 | Very low | 29.5 | Very low | 88 Ų | 88 | 122.2 Ų | 122.2 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | cis | -153.2 | 161.8 | 8.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 885 | C | 29.3 | Very low | 29.7 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | -111.3 | 166.1 | 154.5 | -49.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 886 | P | 42.8 | Very low | 29.6 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | | -132.3 | -178.8 | 72.6 | 16 | 8.9 | 0 | 0 | 0 | 112 | | |
| 887 | G | 26.3 | Very low | 29.7 | Very low | 74 Ų | 74 | 123.9 Ų | 123.9 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | | | cis | 96.7 | 154.9 | 26.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 888 | A | 25.6 | Very low | 30.4 | Very low | 88 Ų | 88 | 123.9 Ų | 123.9 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | cis | -170.9 | 145.6 | -17.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 889 | L | 27.4 | Very low | 29.8 | Very low | 184 Ų | 184 | 121.3 Ų | 121.3 | 96% | 0.963 | 79% | 0.793 | S | S | * | * | | | trans | 64.5 | 135.7 | 159.6 | -57.8 | 167.8 | 0 | 0 | 0 | 120.6 | | |
| 890 | G | 28.7 | Very low | 30 | Very low | 74 Ų | 74 | 125 Ų | 125 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | | | trans | 170 | 118.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 891 | P | 44.3 | Very low | 30 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | trans | -115.4 | 174.1 | -168.2 | 41.3 | -35 | 0 | 0 | 0 | 116.7 | | |
| 892 | N | 25.7 | Very low | 30 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | | | trans | 93.2 | 156.2 | 155 | -159.3 | 28.5 | 0 | 0 | 0 | 118.9 | | |
| 893 | W | 27.9 | Very low | 30.1 | Very low | 224 Ų | 224 | 127.6 Ų | 127.6 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | 64.2 | 148.2 | -175.1 | -59.2 | -88.1 | 0 | 0 | 0 | 116.7 | | |
| 894 | G | 27.3 | Very low | 29.5 | Very low | 66 Ų | 66 | 129.8 Ų | 129.8 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | | | cis | 140 | 104 | -17.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 895 | R | 29.7 | Very low | 29.6 | Very low | 253 Ų | 253 | 133.6 Ų | 133.6 | 96% | 0.955 | 80% | 0.797 | S | S | * | * | | | trans | 65.8 | 121.8 | 161.1 | -175 | -158.8 | -57.5 | -88.1 | 0.3 | 117.9 | | |
| 896 | G | 26.3 | Very low | 29.9 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | 127.5 | 131.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 897 | A | 28.8 | Very low | 29.2 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | | | trans | -97.3 | -177.3 | 155 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 898 | P | 39.4 | Very low | 30.1 | Very low | 130 Ų | 130 | 137 Ų | 137 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | | | cis | -145.5 | -169.4 | 27.4 | 43.7 | -22.4 | 0 | 0 | 0 | 116.9 | | |
| 899 | G | 29.3 | Very low | 30.2 | Very low | 71 Ų | 71 | 140.3 Ų | 140.3 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | trans | 94.9 | 115.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 900 | E | 27.9 | Very low | 30.3 | Very low | 188 Ų | 188 | 138.5 Ų | 138.5 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | cis | 71.3 | 115 | 36.1 | -166.4 | -178.1 | -123.9 | 0 | 0 | 114.6 | | |
| 901 | W | 27.3 | Very low | 31 | Very low | 238 Ų | 238 | 140.1 Ų | 140.1 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | | | trans | -167.3 | 147 | 156.8 | -100 | 105.5 | 0 | 0 | 0 | 111.6 | | |
| 902 | V | 26.1 | Very low | 30.8 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 67% | 0.667 | 77% | 0.774 | S | S | * | * | | | trans | 53.9 | 103.8 | 166.5 | -171.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 903 | S | 28.2 | Very low | 30.8 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | cis | 77.7 | 120.9 | 33.1 | 98.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 904 | M | 27.8 | Very low | 30.8 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | | | trans | -148.1 | 123.3 | 160.1 | -99.2 | -62.1 | 154.4 | 0 | 0 | 109.5 | | |
| 905 | Q | 26.4 | Very low | 30.9 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | 39.8 | 108.3 | 165.8 | -68.9 | -67.6 | -4.6 | 0 | 0 | 118.1 | | |
| 906 | P | 35.8 | Very low | 31 | Very low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | | | | -141.6 | 153.7 | 104 | 38.2 | -28.3 | 0 | 0 | 0 | 114.3 | | |
| 907 | Q | 26.1 | Very low | 31.1 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | | | trans | -171.2 | 166.9 | 133.9 | -96.4 | -136.8 | -63.6 | 0 | 0 | 112.8 | | |
| 908 | P | 46.6 | Very low | 31 | Very low | 93 Ų | 93 | 141 Ų | 141 | 60% | 0.604 | 77% | 0.772 | S | S | * | * | | | trans | -114.1 | -171.4 | -168.3 | 44.1 | -34.1 | 0 | 0 | 0 | 112.7 | | |
| 909 | L | 27.3 | Very low | 30.4 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | | | trans | -161.7 | 151.4 | 148.2 | -81 | -176.5 | 0 | 0 | 0 | 107.3 | | |
| 910 | L | 28.8 | Very low | 30.4 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | cis | 178.5 | 168.4 | -37.6 | -103.1 | -174.7 | 0 | 0 | 0 | 104.6 | | |
| 911 | P | 44.8 | Very low | 30.2 | Very low | 108 Ų | 108 | 144 Ų | 144 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | trans | -87.3 | -160.6 | -174.3 | 41.6 | -40.4 | 0 | 0 | 0 | 111.4 | | |
| 912 | P | 40.1 | Very low | 30 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | | | cis | -148.8 | -158.4 | 12.5 | 36.4 | -9 | 0 | 0 | 0 | 117.8 | | |
| 913 | T | 25.9 | Very low | 30 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | | | trans | 82 | 155.8 | 165.3 | 78.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 914 | Y | 25.9 | Very low | 29.8 | Very low | 201 Ų | 201 | 141.9 Ų | 141.9 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | | | cis | -133.9 | -179.3 | 8 | -111.8 | -79.3 | 0 | 0 | 0 | 113.1 | | |
| 915 | F | 29.7 | Very low | 29.8 | Very low | 180 Ų | 180 | 140.4 Ų | 140.4 | 79% | 0.789 | 77% | 0.767 | S | S | * | * | | | trans | -74.6 | 179.9 | 177.8 | -63.3 | -111.3 | 0 | 0 | 0 | 112.9 | | |
| 916 | L | 32.9 | Very low | 29.7 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | cis | -159.6 | -179.2 | 4.6 | -133.7 | 157.1 | 0 | 0 | 0 | 111.2 | | |
| 917 | D | 27.6 | Very low | 29.4 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | | | trans | 92.7 | 136 | 166.1 | -71.1 | -14.2 | 0 | 0 | 0 | 121 | | |
| 918 | G | 27.9 | Very low | 29.7 | Very low | 78 Ų | 78 | 142.5 Ų | 142.5 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | 131.1 | 84.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 919 | E | 27 | Very low | 28.7 | Very low | 188 Ų | 188 | 146.6 Ų | 146.6 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | | | trans | -73.3 | 165.9 | 166.6 | -66.4 | -176.8 | 112.8 | 0 | 0 | 112.6 | | |
| 920 | T | 27.8 | Very low | 28.7 | Very low | 108 Ų | 108 | 148 Ų | 148 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | | | cis | -166.7 | 125 | -28.4 | -85.9 | 0 | 0 | 0 | 0 | 108 | | |
| 921 | L | 25 | Very low | 28.6 | Very low | 157 Ų | 157 | 149.1 Ų | 149.1 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | 54.1 | 127.5 | 160.5 | -66.1 | 169.7 | 0 | 0 | 0 | 122.6 | | |
| 922 | S | 23 | Very low | 27.6 | Very low | 99 Ų | 99 | 149.6 Ų | 149.6 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | trans | 53.6 | 130.6 | 142 | 67.8 | 0 | 0 | 0 | 0 | 122.5 | | |
| 923 | W | 24.7 | Very low | 26.9 | Very low | 254 Ų | 254 | 150.6 Ų | 150.6 | 96% | 0.962 | 79% | 0.793 | S | S | * | * | | | | -171.4 | 172.1 | 110.2 | -109.5 | 68.6 | 0 | 0 | 0 | 110.3 | | |
| 924 | G | 24.1 | Very low | 27.2 | Very low | 53 Ų | 53 | 150.9 Ų | 150.9 | 55% | 0.546 | 80% | 0.8 | S | S | . | * | | | trans | -96 | 174 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | S926 | G924-S926 PolarHBondContact O-N 3.36Š|
| 925 | P | 29.4 | Very low | 27.5 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | | | trans | -71.6 | 95.8 | -178.7 | -15.8 | 31.3 | 0 | 0 | 0 | 112.7 | | |
| 926 | S | 22.9 | Very low | 27.2 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | trans | -70.6 | 143.8 | 153.1 | 176.8 | 0 | 0 | 0 | 0 | 109.6 | G924 | G924-S926 PolarHBondContact O-N 3.36Š|
| 927 | W | 30.1 | Very low | 26.9 | Very low | 236 Ų | 236 | 146.6 Ų | 146.6 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | | | trans | -138.1 | 69.2 | 156.4 | 64.1 | -89.4 | 0 | 0 | 0 | 110.9 | | |
| 928 | E | 31.8 | Very low | 26.8 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | trans | -157 | 89.6 | 163.2 | -139.2 | 178 | -147 | 0 | 0 | 112.7 | | |
| 929 | Q | 26.2 | Very low | 26.7 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -166.7 | 162.8 | 156.4 | -116.8 | 171.8 | 4.8 | 0 | 0 | 113.5 | | |
| 930 | Q | 26.9 | Very low | 26.7 | Very low | 189 Ų | 189 | 146.7 Ų | 146.7 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | 70 | 92.3 | -163.7 | -57.2 | -176 | -23.2 | 0 | 0 | 112 | | |
| 931 | Q | 26.9 | Very low | 26.7 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | cis | 64.2 | 145.3 | 24.8 | -80.4 | -161.4 | 12.4 | 0 | 0 | 116.6 | | |
| 932 | S | 24.3 | Very low | 26.9 | Very low | 117 Ų | 117 | 148.5 Ų | 148.5 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | 69 | 145 | -164.3 | 81.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 933 | V | 24.4 | Very low | 27.7 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | | | cis | -127.7 | 140.6 | 8.1 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 934 | S | 32.9 | Very low | 27.8 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | -101.9 | 132.7 | 168.8 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 935 | P | 31.6 | Very low | 27.9 | Very low | 121 Ų | 121 | 149.3 Ų | 149.3 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | trans | -96.4 | 130.4 | 154.3 | -13.2 | 31.3 | 0 | 0 | 0 | 113.4 | | |
| 936 | R | 23.6 | Very low | 27.8 | Very low | 237 Ų | 237 | 149.5 Ų | 149.5 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | | | trans | -27.9 | 158.4 | 141.5 | -66 | 172.8 | -171.1 | -163.7 | 2 | 114.5 | | |
| 937 | A | 26.3 | Very low | 28 | Very low | 79 Ų | 79 | 149.4 Ų | 149.4 | 65% | 0.653 | 79% | 0.794 | S | S | * | * | | | cis | -171 | -151.4 | -10.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 938 | H | 26.1 | Very low | 27.9 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 75% | 0.75 | 79% | 0.794 | S | S | * | * | | | cis | -164.9 | 143.4 | 7.3 | -131.6 | -55 | 0 | 0 | 0 | 109.3 | | |
| 939 | C | 26 | Very low | 28 | Very low | 92 Ų | 92 | 143.3 Ų | 143.3 | 62% | 0.622 | 79% | 0.79 | S | S | * | * | | | trans | 55.9 | 171.1 | 151.9 | -71.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 940 | E | 26.2 | Very low | 29.2 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | cis | -152.4 | 164.5 | -19.6 | -117.6 | 156.2 | -146.8 | 0 | 0 | 105.9 | | |
| 941 | S | 28.6 | Very low | 30 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | cis | -161.5 | 166.7 | 31.4 | 48.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 942 | K | 30.3 | Very low | 30.4 | Very low | 199 Ų | 199 | 139 Ų | 139 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | | | trans | -109.5 | 151.1 | 153.1 | -118.8 | -179.4 | -178.1 | 176.7 | 0 | 107.3 | | |
| 943 | P | 38.4 | Very low | 31.3 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | | | | -142.4 | 167.3 | 125.2 | 33.7 | -18.5 | 0 | 0 | 0 | 116 | | |
| 944 | R | 27 | Very low | 31.7 | Very low | 240 Ų | 240 | 145.2 Ų | 145.2 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | | | trans | -2.6 | 136.9 | 148.8 | -53.9 | 162 | -171.7 | -119 | 0.5 | 116.1 | | |
| 945 | G | 26.6 | Very low | 31.6 | Very low | 75 Ų | 75 | 146.6 Ų | 146.6 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | cis | 93.6 | 93.3 | 5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 946 | V | 26.6 | Very low | 31.6 | Very low | 141 Ų | 141 | 148 Ų | 148 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | | | trans | -143 | 144.6 | 169.5 | -176 | 0 | 0 | 0 | 0 | 110.3 | | |
| 947 | S | 28 | Very low | 32.1 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -43 | 151 | 174.3 | -43.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 948 | Q | 28.3 | Very low | 32.5 | Very low | 194 Ų | 194 | 146.8 Ų | 146.8 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | | | | -167.9 | 168.4 | 70 | -94.5 | -177.1 | -18.8 | 0 | 0 | 114 | | |
| 949 | A | 32.9 | Very low | 32.9 | Very low | 86 Ų | 86 | 145.7 Ų | 145.7 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | | | trans | -106.8 | 178.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 950 | P | 52.1 | Low | 33.4 | Very low | 126 Ų | 126 | 149.6 Ų | 149.6 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | | | cis | -144.9 | -167 | 22.6 | 44.4 | -23.1 | 0 | 0 | 0 | 117.1 | | |
| 951 | L | 42.3 | Very low | 33.9 | Very low | 158 Ų | 158 | 147.8 Ų | 147.8 | 83% | 0.827 | 83% | 0.834 | S | S | * | * | | | trans | -59.1 | 163 | 167.8 | -60.7 | 154 | 0 | 0 | 0 | 113.8 | | |
| 952 | L | 37.2 | Very low | 34.4 | Very low | 161 Ų | 161 | 151.4 Ų | 151.4 | 84% | 0.843 | 84% | 0.842 | S | S | * | * | | | | -173.7 | 146.1 | 118 | -88.5 | 158.1 | 0 | 0 | 0 | 106.2 | | |
| 953 | L | 43.2 | Very low | 34.8 | Very low | 226 Ų | 226 | 147.1 Ų | 147.1 | 100% | 1.183 | 84% | 0.84 | S | S | * | * | | | cis | -132.6 | 0 | 17.9 | -136.8 | 168 | 0 | 0 | 0 | 110.7 | | |