| 1 | M | 41.7 | Very low | 36.3 | Very low | 249 Ų | 249 | 145.1 Ų | 145.1 | 100% | 1.227 | 83% | 0.83 | S | S | * | * | | | | 0 | 101.7 | 0 | -59.7 | -63.3 | -95.9 | 0 | 0 | 107.6 | | |
| 2 | G | 32.6 | Very low | 36.2 | Very low | 67 Ų | 67 | 145.5 Ų | 145.5 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | | | cis | 143.5 | 113.4 | 7 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 3 | P | 54 | Low | 35.8 | Very low | 113 Ų | 113 | 148.2 Ų | 148.2 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | | | trans | -80.8 | 162.1 | -164.9 | 33.7 | -37.6 | 0 | 0 | 0 | 113.3 | | |
| 4 | P | 40.8 | Very low | 35.6 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | | | | -120.3 | 137.9 | 104 | -1.7 | 22.2 | 0 | 0 | 0 | 111.1 | | |
| 5 | R | 34 | Very low | 35.2 | Very low | 224 Ų | 224 | 139.3 Ų | 139.3 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | | | | 86.7 | 121 | 50.1 | -78 | -175.2 | 169 | -173.3 | -2.8 | 114.3 | | |
| 6 | H | 41.4 | Very low | 35 | Very low | 180 Ų | 180 | 135.6 Ų | 135.6 | 83% | 0.833 | 82% | 0.818 | S | S | * | * | | | trans | -61.4 | 153.1 | 153.6 | -107.2 | -66.5 | 0 | 0 | 0 | 111.1 | | |
| 7 | P | 37.1 | Very low | 34.9 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 70% | 0.695 | 82% | 0.821 | S | S | * | * | | | | -113.7 | 166.6 | 103.2 | 34.2 | -35.2 | 0 | 0 | 0 | 111.6 | | |
| 8 | Q | 26.8 | Very low | 34.7 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 83% | 0.827 | 83% | 0.827 | S | S | * | * | | | cis | 103.1 | 112.6 | 8.6 | -168.1 | 176.9 | 5.2 | 0 | 0 | 116.7 | | |
| 9 | A | 31.3 | Very low | 34.6 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | | | trans | 65.5 | 147.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 10 | G | 30.1 | Very low | 34.5 | Very low | 79 Ų | 79 | 126.3 Ų | 126.3 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | | | trans | 158.9 | 123 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 11 | E | 29.5 | Very low | 34.3 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | | | trans | -97.2 | 158 | -167 | -77.9 | 170.6 | 83.6 | 0 | 0 | 115.5 | | |
| 12 | L | 35.3 | Very low | 33.9 | Very low | 150 Ų | 150 | 131.3 Ų | 131.3 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | | | trans | 45.2 | 160.1 | 136.4 | -54.4 | 171.4 | 0 | 0 | 0 | 120.3 | | |
| 13 | E | 30.8 | Very low | 33.9 | Very low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | | | cis | -147.6 | -160.5 | 10.7 | -149.8 | -149.3 | 93.2 | 0 | 0 | 112.2 | | |
| 14 | A | 32.8 | Very low | 32.7 | Very low | 83 Ų | 83 | 136.7 Ų | 136.7 | 69% | 0.686 | 82% | 0.817 | S | S | * | * | | | trans | -76.9 | 159 | -154.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 15 | G | 30.5 | Very low | 32.3 | Very low | 80 Ų | 80 | 136.5 Ų | 136.5 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | | 109.7 | 147 | 122.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 16 | G | 31.3 | Very low | 32.2 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | 112 | 42.2 | 140.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 17 | A | 33 | Very low | 31.6 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | | | trans | 20.6 | 119.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 18 | G | 32.1 | Very low | 31.4 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 92% | 0.918 | 81% | 0.809 | S | S | * | * | | | trans | 102.3 | 143.7 | 133.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 19 | G | 32.1 | Very low | 31.7 | Very low | 86 Ų | 86 | 129 Ų | 129 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | | | trans | 161.2 | -53.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 20 | G | 32 | Very low | 32 | Very low | 76 Ų | 76 | 131.7 Ų | 131.7 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | | | trans | 79 | 151.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 21 | R | 31 | Very low | 32 | Very low | 263 Ų | 263 | 136 Ų | 136 | 99% | 0.992 | 80% | 0.797 | S | S | * | * | | | trans | -166 | 178 | 162.4 | -109.4 | 170.5 | -168.3 | -142 | 2 | 109.5 | | |
| 22 | R | 34 | Very low | 32.3 | Very low | 218 Ų | 218 | 136.8 Ų | 136.8 | 82% | 0.823 | 80% | 0.798 | S | S | * | * | | | trans | -115.4 | 150.1 | -173.8 | -162.2 | -163.2 | -177.8 | -136.2 | 3 | 111 | | |
| 23 | L | 32.7 | Very low | 32.8 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 64% | 0.644 | 80% | 0.797 | S | S | * | * | | | trans | 93.1 | 132.8 | 161.9 | -58.6 | 176.8 | 0 | 0 | 0 | 119.8 | | |
| 24 | Q | 29.1 | Very low | 33 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | 85.2 | 120.8 | 141.4 | -79.5 | 175.6 | -27.2 | 0 | 0 | 123.4 | | |
| 25 | V | 30.9 | Very low | 33 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 72% | 0.715 | 80% | 0.798 | S | S | * | * | | | trans | 84 | 101.8 | 133.6 | 179.2 | 0 | 0 | 0 | 0 | 120.8 | | |
| 26 | E | 32.8 | Very low | 32.7 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | | | trans | 66.4 | 142 | 135.3 | -83.8 | -178.5 | 100.6 | 0 | 0 | 127.6 | | |
| 27 | M | 29 | Very low | 32.6 | Very low | 163 Ų | 163 | 140 Ų | 140 | 80% | 0.803 | 79% | 0.793 | S | S | * | * | | | trans | 75.6 | 109 | 143.2 | -77 | -147.4 | -72 | 0 | 0 | 124.6 | | |
| 28 | S | 31.8 | Very low | 33.3 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | | 104.4 | 122.7 | 117.2 | -154 | 0 | 0 | 0 | 0 | 123.2 | | |
| 29 | S | 34.1 | Very low | 33 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | trans | 81.7 | 116 | 139.1 | -65.7 | 0 | 0 | 0 | 0 | 126.1 | | |
| 30 | Q | 37.4 | Very low | 32.8 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | trans | 65.8 | 157.4 | 133.2 | -58.3 | -79.9 | 32.8 | 0 | 0 | 119.6 | | |
| 31 | Q | 30.5 | Very low | 32.5 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | cis | -151.4 | 177.9 | 7.2 | -144.6 | 166.1 | 4.3 | 0 | 0 | 113.2 | | |
| 32 | F | 35.6 | Very low | 32.4 | Very low | 191 Ų | 191 | 138.8 Ų | 138.8 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | | | trans | -123.7 | 157.1 | 179.7 | -98.1 | -78.7 | 0 | 0 | 0 | 112.1 | | |
| 33 | P | 44.6 | Very low | 31.9 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | | | | -142.8 | 162.2 | 92 | 31.8 | -11.8 | 0 | 0 | 0 | 113.9 | | |
| 34 | R | 35.5 | Very low | 31.6 | Very low | 207 Ų | 207 | 135.8 Ų | 135.8 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | | | cis | 70.9 | 143 | 46.7 | -78.4 | -170.5 | 173.5 | -109 | 2.3 | 114 | | |
| 35 | L | 32.9 | Very low | 31.5 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | cis | -160 | 167.7 | 10.7 | -130.1 | 172.9 | 0 | 0 | 0 | 111.3 | | |
| 36 | G | 24.9 | Very low | 31.8 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | | | trans | 168.8 | 127.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 37 | A | 28.6 | Very low | 31.4 | Very low | 96 Ų | 96 | 129.4 Ų | 129.4 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | | | trans | -169.4 | -178.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 38 | P | 47.9 | Very low | 31.2 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | | | cis | -133.9 | -167.5 | -6.9 | 43.1 | -25.4 | 0 | 0 | 0 | 114.2 | | |
| 39 | S | 26 | Very low | 30.9 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | | | | 138.7 | 110.9 | 129.4 | -161 | 0 | 0 | 0 | 0 | 118 | | |
| 40 | T | 27.7 | Very low | 30.4 | Very low | 139 Ų | 139 | 130.7 Ų | 130.7 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | | | | 39.8 | 127.7 | 128 | -24 | 0 | 0 | 0 | 0 | 123.6 | | |
| 41 | G | 25.5 | Very low | 29.9 | Very low | 61 Ų | 61 | 129.9 Ų | 129.9 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | | | trans | 146.7 | 121.6 | 133.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 42 | L | 27.9 | Very low | 29.7 | Very low | 172 Ų | 172 | 127.5 Ų | 127.5 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | | | trans | 65.4 | 161 | 146.6 | -56.6 | 166.6 | 0 | 0 | 0 | 117.5 | | |
| 43 | S | 24 | Very low | 29.3 | Very low | 86 Ų | 86 | 122.2 Ų | 122.2 | 60% | 0.601 | 77% | 0.767 | S | S | * | * | | | cis | -162.7 | 157.4 | -22.5 | -113.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 44 | Q | 27 | Very low | 28.6 | Very low | 192 Ų | 192 | 123.6 Ų | 123.6 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | | | trans | 62.7 | 159.3 | 147.6 | -70.4 | 177.5 | -11.4 | 0 | 0 | 122 | | |
| 45 | A | 26.3 | Very low | 28.2 | Very low | 87 Ų | 87 | 118.4 Ų | 118.4 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | | | trans | -131.6 | 154.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 46 | P | 36.7 | Very low | 28 | Very low | 118 Ų | 118 | 114.9 Ų | 114.9 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | trans | -122.8 | 153.4 | 138.7 | 1.3 | 22.2 | 0 | 0 | 0 | 110 | | |
| 47 | S | 25.9 | Very low | 28.2 | Very low | 112 Ų | 112 | 119.2 Ų | 119.2 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | | 59.9 | 134.6 | 55.3 | -53.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 48 | Q | 25.1 | Very low | 28.3 | Very low | 168 Ų | 168 | 122.6 Ų | 122.6 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | cis | 176.5 | 169.2 | -15.6 | -134.2 | -172.5 | 16.6 | 0 | 0 | 104.7 | | |
| 49 | I | 24.3 | Very low | 27.3 | Very low | 147 Ų | 147 | 124.1 Ų | 124.1 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | | | trans | 80.9 | 108.6 | 153.7 | -67.5 | 161.6 | 0 | 0 | 0 | 120.3 | | |
| 50 | A | 24.8 | Very low | 28.2 | Very low | 79 Ų | 79 | 124.4 Ų | 124.4 | 65% | 0.653 | 78% | 0.783 | S | S | * | * | | | trans | 86.2 | 127.3 | 130 | 0 | 0 | 0 | 0 | 0 | 125.8 | | |
| 51 | N | 25.5 | Very low | 28.3 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | | | trans | 78.9 | 102 | 130.6 | -67.8 | 13 | 0 | 0 | 0 | 123.8 | | |
| 52 | S | 28 | Very low | 28.3 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | | 73 | 109 | 115.9 | -54 | 0 | 0 | 0 | 0 | 121.2 | | |
| 53 | G | 27.2 | Very low | 28.3 | Very low | 79 Ų | 79 | 121.5 Ų | 121.5 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | | | trans | -166.4 | 114.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 54 | T | 28.8 | Very low | 28.5 | Very low | 148 Ų | 148 | 123.7 Ų | 123.7 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | | | trans | -67.7 | 161.7 | 177 | 6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 55 | A | 28.2 | Very low | 28.4 | Very low | 98 Ų | 98 | 121.3 Ų | 121.3 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | cis | -156.5 | 171.6 | 4.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 56 | G | 27.9 | Very low | 28.3 | Very low | 73 Ų | 73 | 123.7 Ų | 123.7 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | trans | 171.1 | 50.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 57 | L | 28.8 | Very low | 27.8 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | | | trans | 63.3 | 165.6 | 156.4 | -101.1 | 75.9 | 0 | 0 | 0 | 122.1 | | |
| 58 | I | 30 | Very low | 27.9 | Very low | 167 Ų | 167 | 125.7 Ų | 125.7 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | | | trans | 63.5 | 152.4 | 167.5 | 56.2 | 174.1 | 0 | 0 | 0 | 120.4 | | |
| 59 | N | 28.3 | Very low | 28 | Very low | 154 Ų | 154 | 120.4 Ų | 120.4 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -163.6 | 174.5 | -145.5 | -157.4 | 33.3 | 0 | 0 | 0 | 108.9 | | |
| 60 | P | 45.4 | Very low | 28.3 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | | | cis | -118.7 | -174.3 | -40.2 | 35.3 | -20 | 0 | 0 | 0 | 112.3 | | |
| 61 | A | 28.2 | Very low | 28.3 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | | 164.9 | 71.8 | 122.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 62 | A | 27.1 | Very low | 28.5 | Very low | 88 Ų | 88 | 125.1 Ų | 125.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -164.9 | 141.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 63 | T | 27.7 | Very low | 28.4 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | cis | -178.3 | -177.2 | 34 | 17.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 64 | V | 27.5 | Very low | 28.5 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | | | trans | 62.2 | 128.7 | 148.4 | -73.8 | 0 | 0 | 0 | 0 | 123.8 | | |
| 65 | N | 25.6 | Very low | 28.3 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | | | | 66.3 | 104.3 | 119.8 | -162.2 | 94.1 | 0 | 0 | 0 | 123.2 | | |
| 66 | D | 24.1 | Very low | 28.3 | Very low | 138 Ų | 138 | 126.9 Ų | 126.9 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | | | | 71.6 | 150.4 | 127.5 | -145.1 | -160.5 | 0 | 0 | 0 | 123.2 | | |
| 67 | E | 26 | Very low | 28.2 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | | | trans | 62.2 | 157.1 | 170.7 | -102.9 | -158.3 | 90.6 | 0 | 0 | 124.4 | | |
| 68 | S | 27.9 | Very low | 28.1 | Very low | 92 Ų | 92 | 132 Ų | 132 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | | | trans | -91.7 | 163.4 | -171.9 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 69 | G | 26.8 | Very low | 27.9 | Very low | 57 Ų | 57 | 132 Ų | 132 | 59% | 0.588 | 76% | 0.756 | S | S | * | * | | | cis | 139.3 | 156.6 | -2.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 70 | R | 30.9 | Very low | 27.8 | Very low | 228 Ų | 228 | 132.8 Ų | 132.8 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | trans | 77.1 | 155.5 | -168.8 | -49.5 | -170.5 | -176.5 | 91.1 | 2.2 | 113.5 | | |
| 71 | D | 25.1 | Very low | 26.7 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | | | cis | -149.9 | -168.4 | 30.2 | -144 | -83 | 0 | 0 | 0 | 114.6 | | |
| 72 | S | 29.2 | Very low | 26.6 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | | | trans | -85.2 | 142.9 | 179.7 | -85.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 73 | E | 25.7 | Very low | 26.5 | Very low | 171 Ų | 171 | 134.2 Ų | 134.2 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | | | | 74.3 | 142.4 | 86.3 | -145.5 | -157.7 | 136.9 | 0 | 0 | 115.9 | | |
| 74 | V | 28.9 | Very low | 26.3 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | 69.7 | 145 | 177.7 | -166.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 75 | G | 26.1 | Very low | 26.3 | Very low | 70 Ų | 70 | 131.8 Ų | 131.8 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | | | trans | -160.3 | 176.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 76 | A | 26.4 | Very low | 26.5 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | | | trans | -149.1 | 158.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 77 | R | 27.5 | Very low | 26.5 | Very low | 214 Ų | 214 | 133.6 Ų | 133.6 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | | | trans | -68.2 | 168.4 | 163.2 | -71.7 | 161.4 | 144.3 | -148.4 | 11.2 | 109 | | |
| 78 | E | 25.3 | Very low | 26.5 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 61% | 0.607 | 74% | 0.744 | S | S | * | * | | | cis | -170 | 175.6 | 33 | -145.4 | 143.7 | -126.6 | 0 | 0 | 112.2 | | |
| 79 | H | 27.1 | Very low | 26.6 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | | | trans | 72.4 | 171.4 | 165 | -72.8 | -66.8 | 0 | 0 | 0 | 121 | | |
| 80 | M | 25.4 | Very low | 26.8 | Very low | 170 Ų | 170 | 137 Ų | 137 | 84% | 0.837 | 75% | 0.747 | S | S | * | * | | | trans | -140.4 | -176.3 | -143.7 | -50.4 | 178.6 | 81.6 | 0 | 0 | 114.5 | | |
| 81 | S | 22.6 | Very low | 26.7 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | | | trans | 81.4 | 152.5 | 163.1 | 82.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 82 | S | 25.7 | Very low | 26.9 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | | | cis | -170 | 177.7 | -16.2 | -101.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 83 | S | 24.3 | Very low | 26.9 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | | | trans | 67.2 | 145.1 | 172.7 | 60.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 84 | S | 25 | Very low | 27.1 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | | | cis | 81.2 | 142.8 | 25.5 | 94.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 85 | S | 27.1 | Very low | 27.7 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | | | cis | -168.7 | 166.1 | 13.2 | 64.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 86 | L | 29.6 | Very low | 28 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | | | trans | 63.1 | 171 | 150.6 | -66.3 | 165.7 | 0 | 0 | 0 | 120.4 | | |
| 87 | Q | 24.1 | Very low | 28.1 | Very low | 168 Ų | 168 | 138 Ų | 138 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | | | cis | -135 | 165.1 | 5.1 | -66 | 176.7 | 20.6 | 0 | 0 | 111.1 | | |
| 88 | S | 26.8 | Very low | 28.5 | Very low | 86 Ų | 86 | 133.2 Ų | 133.2 | 60% | 0.601 | 72% | 0.72 | S | S | * | * | | | cis | 113.4 | 57.3 | -7 | 84.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 89 | R | 29.1 | Very low | 28.7 | Very low | 208 Ų | 208 | 138.5 Ų | 138.5 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | | | trans | -153.4 | 147.8 | 163.5 | -69.6 | -166.9 | 87.2 | 149.4 | 2.8 | 111.5 | | |
| 90 | E | 31.3 | Very low | 29.4 | Very low | 108 Ų | 108 | 136 Ų | 136 | 51% | 0.505 | 73% | 0.734 | S | S | . | * | | | cis | -152.4 | -153.9 | -17 | -133.1 | -178.7 | 108.7 | 0 | 0 | 107.1 | K92 | E90-K92 IonicContact OE1-NZ 3.5Å; E90-K92 PolarHBondContact OE1-NZ 3.24Å |
| 91 | E | 28.5 | Very low | 29.6 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 67% | 0.673 | 74% | 0.735 | S | S | * | * | | | cis | -150.7 | -138.1 | 11.8 | -159.4 | 139.9 | -176.6 | 0 | 0 | 113.6 | | |
| 92 | K | 28.5 | Very low | 30.9 | Very low | 132 Ų | 132 | 138 Ų | 138 | 57% | 0.574 | 73% | 0.73 | S | S | * | * | | | trans | -110.6 | 151.9 | -157.8 | -66 | 163.6 | -170.9 | 78.5 | 0 | 112.8 | E90 | E90-K92 IonicContact OE1-NZ 3.5Å; E90-K92 PolarHBondContact OE1-NZ 3.24Å |
| 93 | Q | 30.4 | Very low | 30.9 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | | | cis | 88.3 | 135.6 | 36.2 | -66.7 | 173.1 | -88 | 0 | 0 | 114.3 | | |
| 94 | E | 29.2 | Very low | 31.1 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 73% | 0.729 | 73% | 0.729 | S | S | * | * | | | cis | -150.3 | -75.9 | 0.7 | -141.1 | 167.8 | 87.1 | 0 | 0 | 120.8 | | |
| 95 | P | 41 | Very low | 31.2 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | | | | -121.9 | 177.5 | -123.1 | 40.4 | -30.6 | 0 | 0 | 0 | 121.1 | | |
| 96 | V | 33.1 | Very low | 31.3 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 75% | 0.745 | 73% | 0.731 | S | S | * | * | | | trans | -88.2 | 148.2 | -170.5 | 171.3 | 0 | 0 | 0 | 0 | 115.3 | V98 | V96-V98 HydrophobicContact CG1-CG2 4.28Š|
| 97 | V | 29.6 | Very low | 31.3 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | | | trans | -141.8 | 151.9 | 153.2 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 98 | V | 35 | Very low | 31.7 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | | | trans | -129.1 | 136.9 | -178.2 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | V96 | V96-V98 HydrophobicContact CG1-CG2 4.28Š|
| 99 | R | 29.6 | Very low | 31.8 | Very low | 240 Ų | 240 | 143.9 Ų | 143.9 | 91% | 0.906 | 73% | 0.729 | S | S | * | * | | | trans | -179.8 | 170.4 | 145.5 | -102.7 | -178.6 | -174.2 | 101.8 | -1.2 | 113.2 | | |
| 100 | P | 41.4 | Very low | 32.1 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 75% | 0.753 | 72% | 0.723 | S | S | * | * | | | trans | -107.1 | -180 | -158.5 | 41.8 | -39.2 | 0 | 0 | 0 | 118.4 | | |
| 101 | Y | 30.1 | Very low | 32.2 | Very low | 221 Ų | 221 | 144.3 Ų | 144.3 | 87% | 0.867 | 74% | 0.739 | S | S | * | * | | | trans | -34.9 | 161.7 | 165.8 | -81.5 | -90.6 | 0 | 0 | 0 | 117.1 | | |
| 102 | P | 49.2 | Very low | 32.3 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | | | cis | -154.8 | -168.4 | 38.4 | 47.2 | -25.9 | 0 | 0 | 0 | 120.5 | | |
| 103 | Q | 25.6 | Very low | 32.4 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | 90.4 | 107.3 | 146.1 | -79.7 | -172.4 | -71.7 | 0 | 0 | 126.4 | | |
| 104 | V | 29.6 | Very low | 32.6 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 67% | 0.667 | 75% | 0.754 | S | S | * | * | | | trans | 36.1 | 134.1 | 134.5 | -119.6 | 0 | 0 | 0 | 0 | 127.3 | | |
| 105 | Q | 26.2 | Very low | 32.8 | Very low | 172 Ų | 172 | 137 Ų | 137 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | -163 | 145.7 | 139.6 | -154.4 | 65.5 | -32.1 | 0 | 0 | 107.6 | | |
| 106 | M | 29.6 | Very low | 32.2 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | | | cis | 96.4 | 137.5 | 17.3 | -63.7 | -60.9 | -177.9 | 0 | 0 | 115.1 | | |
| 107 | L | 29.9 | Very low | 32.2 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | | | cis | -167.4 | 149.1 | -4.3 | 175.3 | 62.6 | 0 | 0 | 0 | 113.9 | | |
| 108 | S | 31.9 | Very low | 33.5 | Very low | 83 Ų | 83 | 134.2 Ų | 134.2 | 58% | 0.58 | 75% | 0.75 | S | S | * | * | | | trans | 52.7 | 149.9 | 153.3 | -70.8 | 0 | 0 | 0 | 0 | 126.9 | | |
| 109 | T | 28 | Very low | 33.1 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | | -169 | 107.2 | 111.3 | -73.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 110 | H | 35.6 | Very low | 33.3 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | | | trans | 33.8 | 144.2 | 150.9 | -58.6 | -78.9 | 0 | 0 | 0 | 123.1 | | |
| 111 | H | 34.3 | Very low | 32.7 | Very low | 179 Ų | 179 | 128.4 Ų | 128.4 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | | | cis | -148.7 | 175.2 | 31.6 | -72.4 | -94.4 | 0 | 0 | 0 | 110.6 | | |
| 112 | A | 31 | Very low | 32.6 | Very low | 89 Ų | 89 | 123.9 Ų | 123.9 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | | | cis | -165.3 | -155.5 | -18.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 113 | V | 31.2 | Very low | 31.7 | Very low | 145 Ų | 145 | 123.6 Ų | 123.6 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | | | cis | -149.2 | -109.2 | 7.7 | 64.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 114 | A | 32.8 | Very low | 33.1 | Very low | 83 Ų | 83 | 121.1 Ų | 121.1 | 69% | 0.686 | 75% | 0.749 | S | S | * | * | | | trans | -166.3 | 170 | -159.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 115 | S | 33.2 | Very low | 34 | Very low | 117 Ų | 117 | 121.4 Ų | 121.4 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | cis | -174.7 | -150.1 | -24.6 | 65.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 116 | A | 29 | Very low | 34.3 | Very low | 79 Ų | 79 | 117.2 Ų | 117.2 | 65% | 0.653 | 75% | 0.748 | S | S | * | * | | | trans | 88.8 | 81 | 160.8 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 117 | T | 33.3 | Very low | 34.3 | Very low | 134 Ų | 134 | 118.8 Ų | 118.8 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | | | | 55.6 | 154.9 | 122.6 | 54.1 | 0 | 0 | 0 | 0 | 124.7 | | |
| 118 | P | 57.6 | Low | 34.4 | Very low | 113 Ų | 113 | 118.8 Ų | 118.8 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | cis | -144.3 | -164.2 | -49.3 | 39.9 | -18.3 | 0 | 0 | 0 | 115.8 | | |
| 119 | V | 27.1 | Very low | 34.3 | Very low | 131 Ų | 131 | 120.4 Ų | 120.4 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | trans | 83.8 | 105.8 | 170.2 | -169 | 0 | 0 | 0 | 0 | 116.7 | | |
| 120 | A | 32.1 | Very low | 35 | Very low | 89 Ų | 89 | 119.8 Ų | 119.8 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | | | | 89.1 | 133.8 | 67.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 121 | V | 30.2 | Very low | 34.6 | Very low | 127 Ų | 127 | 117 Ų | 117 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | | | | -174.9 | 139.2 | 80.5 | 149.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 122 | T | 26.9 | Very low | 34.4 | Very low | 126 Ų | 126 | 114.9 Ų | 114.9 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | trans | 40.3 | 124.1 | 156.2 | 62.6 | 0 | 0 | 0 | 0 | 129 | | |
| 123 | A | 29.9 | Very low | 35 | Very low | 97 Ų | 97 | 115.4 Ų | 115.4 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | | | | 78.3 | 154.1 | 113.4 | 0 | 0 | 0 | 0 | 0 | 126.3 | | |
| 124 | P | 54.8 | Low | 34.7 | Very low | 120 Ų | 120 | 115.7 Ų | 115.7 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | | | trans | -117 | -171.2 | -176.7 | 48.1 | -36.2 | 0 | 0 | 0 | 114 | | |
| 125 | P | 49.6 | Very low | 34.3 | Very low | 117 Ų | 117 | 116.7 Ų | 116.7 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | | | | -158.6 | -173.7 | 77 | 43.4 | -21.7 | 0 | 0 | 0 | 118.5 | | |
| 126 | A | 32.1 | Very low | 33.9 | Very low | 84 Ų | 84 | 120.2 Ų | 120.2 | 69% | 0.694 | 75% | 0.754 | S | S | * | * | | | trans | 73.9 | 146.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 127 | H | 30.9 | Very low | 33.8 | Very low | 167 Ų | 167 | 121.2 Ų | 121.2 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | | | cis | -166 | 159.2 | -20.8 | -122.7 | -79.8 | 0 | 0 | 0 | 112.9 | | |
| 128 | L | 30.6 | Very low | 33.4 | Very low | 141 Ų | 141 | 123.9 Ų | 123.9 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | trans | 78.3 | 130 | 168.8 | -45.8 | -174.1 | 0 | 0 | 0 | 118.4 | | |
| 129 | T | 30.1 | Very low | 31.9 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | | | cis | 88.9 | 147.3 | 21.9 | 70 | 0 | 0 | 0 | 0 | 117.1 | | |
| 130 | P | 43.5 | Very low | 32 | Very low | 116 Ų | 116 | 123.4 Ų | 123.4 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | | | cis | -145.9 | -173.4 | -28.5 | 39.5 | -19.9 | 0 | 0 | 0 | 116.4 | | |
| 131 | A | 27.6 | Very low | 31.9 | Very low | 86 Ų | 86 | 125.9 Ų | 125.9 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | | | trans | 81.8 | 144.1 | 148.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 132 | V | 28.4 | Very low | 31.9 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | cis | 82.5 | 142.2 | 13.2 | -173.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 133 | P | 43.5 | Very low | 32.8 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | | | cis | -138 | -176.4 | -7.2 | 36 | -14.6 | 0 | 0 | 0 | 117.7 | | |
| 134 | L | 25.8 | Very low | 33.8 | Very low | 150 Ų | 150 | 128.8 Ų | 128.8 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | 65.9 | 149.5 | 133.4 | -84 | 164.6 | 0 | 0 | 0 | 125.8 | | |
| 135 | S | 24.2 | Very low | 33.3 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | trans | 118 | 148.5 | 133.7 | -79.3 | 0 | 0 | 0 | 0 | 122 | | |
| 136 | F | 24.8 | Very low | 32.5 | Very low | 190 Ų | 190 | 131.9 Ų | 131.9 | 83% | 0.833 | 76% | 0.756 | S | S | * | * | | | trans | -79.1 | -179.1 | 172.3 | -47.2 | -101.8 | 0 | 0 | 0 | 110.4 | | |
| 137 | S | 27.2 | Very low | 33 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | | | cis | -151.3 | 159.6 | 12.7 | -36 | 0 | 0 | 0 | 0 | 109.6 | | |
| 138 | E | 24 | Very low | 33 | Very low | 191 Ų | 191 | 131.5 Ų | 131.5 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | | | | 64.2 | 125.4 | 92.9 | -160.5 | 176.4 | -177.6 | 0 | 0 | 118.2 | | |
| 139 | G | 26 | Very low | 32.9 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | | | trans | 82.2 | 171.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 140 | L | 29.5 | Very low | 33.6 | Very low | 163 Ų | 163 | 132.4 Ų | 132.4 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | cis | -176.6 | 144.5 | -16.6 | -158.5 | 71.2 | 0 | 0 | 0 | 107.7 | | |
| 141 | M | 30.1 | Very low | 32.8 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | | | cis | -168.7 | 159.6 | -29.2 | -170.4 | -148.7 | -60.6 | 0 | 0 | 108.2 | | |
| 142 | K | 31.3 | Very low | 33.5 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | 72.5 | 161.9 | 160.7 | -93.5 | 179.8 | 176.6 | 178.5 | 0 | 118.3 | | |
| 143 | P | 45.6 | Very low | 34.1 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | | | | -125 | -119.6 | -50.7 | 29.3 | -5.9 | 0 | 0 | 0 | 115.6 | | |
| 144 | P | 49.5 | Very low | 33.5 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | | | trans | -114.1 | -155.8 | -138.7 | 44.4 | -24.1 | 0 | 0 | 0 | 112.9 | | |
| 145 | P | 46.1 | Very low | 33.7 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | | | cis | -143.7 | 164.9 | -2.7 | 41.9 | -22.5 | 0 | 0 | 0 | 119.6 | | |
| 146 | K | 30.8 | Very low | 34.2 | Very low | 199 Ų | 199 | 137.9 Ų | 137.9 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | | | trans | 61.6 | -174.5 | 152.6 | -76.4 | -179.5 | 178.7 | -180 | 0 | 116.3 | | |
| 147 | P | 43.8 | Very low | 34.5 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | | | cis | -131.7 | 162.4 | -8.9 | 16.8 | 9.5 | 0 | 0 | 0 | 118.6 | | |
| 148 | T | 30.2 | Very low | 35.8 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | trans | 66.2 | 147.5 | 133.6 | -52.8 | 0 | 0 | 0 | 0 | 124.3 | | |
| 149 | M | 28.4 | Very low | 36.5 | Very low | 171 Ų | 171 | 130.8 Ų | 130.8 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | | | trans | -85.7 | -152.9 | 175.3 | -51.7 | -164.1 | 74.2 | 0 | 0 | 111.9 | | |
| 150 | P | 44.9 | Very low | 36.7 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | | | cis | -138.6 | -165.3 | -11.1 | 31.2 | -5.2 | 0 | 0 | 0 | 115.6 | | |
| 151 | S | 28 | Very low | 36.8 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | | | trans | 109 | 130.7 | 140.8 | -61.8 | 0 | 0 | 0 | 0 | 122.6 | | |
| 152 | R | 40.3 | Very low | 36.7 | Very low | 225 Ų | 225 | 132.2 Ų | 132.2 | 85% | 0.849 | 77% | 0.773 | S | S | * | * | | | trans | -49.6 | 170.2 | 150 | -93.4 | 177.1 | 165.4 | -143.2 | -0.7 | 112.9 | | |
| 153 | P | 42.8 | Very low | 36.5 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | | | cis | -158 | 170.1 | 44.3 | 43.6 | -21 | 0 | 0 | 0 | 122 | | |
| 154 | I | 29.3 | Very low | 35.5 | Very low | 146 Ų | 146 | 130 Ų | 130 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | | | trans | 49.4 | 119.2 | 134.8 | -61.7 | 166.7 | 0 | 0 | 0 | 122.7 | | |
| 155 | A | 31.7 | Very low | 35.1 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 72% | 0.719 | 77% | 0.773 | S | S | * | * | | | | 41.4 | 162.9 | 128.4 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 156 | P | 33.8 | Very low | 34.9 | Very low | 132 Ų | 132 | 131 Ų | 131 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | | | | -136.5 | -168.2 | 71.8 | 40.2 | -24.2 | 0 | 0 | 0 | 115.1 | | |
| 157 | A | 30.3 | Very low | 34.7 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | | | trans | -137.6 | -141.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 158 | P | 55.2 | Low | 34.1 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | | -101.2 | 176.8 | -124.6 | 43.7 | -33 | 0 | 0 | 0 | 115.7 | | |
| 159 | P | 39.8 | Very low | 34.6 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | | -149.3 | -163.2 | 99.3 | 33.5 | -13.1 | 0 | 0 | 0 | 113.1 | | |
| 160 | S | 28.6 | Very low | 34.7 | Very low | 99 Ų | 99 | 125.2 Ų | 125.2 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | | 176.8 | 121 | -52.8 | -73.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 161 | T | 31.5 | Very low | 33.9 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | | | trans | 24.1 | 126.2 | 151.9 | 56.4 | 0 | 0 | 0 | 0 | 124.2 | | |
| 162 | L | 28.9 | Very low | 34 | Very low | 170 Ų | 170 | 125 Ų | 125 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | | | trans | -159.4 | 173.2 | 156.5 | -74.2 | -176.2 | 0 | 0 | 0 | 110.7 | | |
| 163 | S | 26.3 | Very low | 33.4 | Very low | 92 Ų | 92 | 118.7 Ų | 118.7 | 64% | 0.643 | 73% | 0.728 | S | S | * | * | | | | -170.7 | 138.4 | -51.8 | -91.9 | 0 | 0 | 0 | 0 | 114 | | |
| 164 | L | 25.9 | Very low | 32.7 | Very low | 162 Ų | 162 | 119.4 Ų | 119.4 | 85% | 0.848 | 73% | 0.73 | S | S | * | * | | | trans | 60.5 | 145.1 | 158.6 | -79.8 | 79 | 0 | 0 | 0 | 123.6 | | |
| 165 | P | 39.6 | Very low | 32.7 | Very low | 117 Ų | 117 | 118.1 Ų | 118.1 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | | | trans | -123.1 | -153.3 | 163.6 | 45.8 | -33.5 | 0 | 0 | 0 | 111.6 | | |
| 166 | P | 43.5 | Very low | 32.6 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | | | cis | -137.9 | -152.2 | -11.7 | 44 | -23.6 | 0 | 0 | 0 | 114.3 | | |
| 167 | K | 26.1 | Very low | 32.3 | Very low | 198 Ų | 198 | 122.1 Ų | 122.1 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | | | trans | 130.9 | 161.7 | 139 | -154.1 | 156.2 | -174.1 | 175.2 | 0 | 119.2 | | |
| 168 | V | 31.8 | Very low | 32.2 | Very low | 129 Ų | 129 | 122.2 Ų | 122.2 | 78% | 0.782 | 72% | 0.719 | S | S | * | * | | | trans | -148.1 | 150.3 | -164.7 | -178.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 169 | P | 39.1 | Very low | 30.8 | Very low | 124 Ų | 124 | 122.2 Ų | 122.2 | 81% | 0.805 | 72% | 0.721 | S | S | * | * | | | trans | -127 | -176.4 | 159.7 | 41.2 | -27.4 | 0 | 0 | 0 | 114.5 | | |
| 170 | G | 31.6 | Very low | 30.4 | Very low | 43 Ų | 43 | 123.7 Ų | 123.7 | 44% | 0.443 | 72% | 0.72 | S | S | . | * | | | cis | 158.3 | 111.9 | -15.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | Q753 | G170-Q753 CarbonylContact C-O 3.3Å; G170-Q753 WeakPolarHBondContact CA-O 3.34Å; G170-Q753 PolarHBondContact N-O 2.85Å |
| 171 | Q | 28.7 | Very low | 31.2 | Very low | 148 Ų | 148 | 123.4 Ų | 123.4 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | | | trans | 94.6 | 86.4 | 146.7 | -58.2 | -63.7 | -17.6 | 0 | 0 | 125.7 | A752 Q753 | Q171-A752 CarbonylContact C-O 2.93Å; Q171-A752 VanDerWaalsContact C-O 3.29Å; Q171-A752 WeakPolarHBondContact CA-O 3.34Å; Q171-A752 PolarHBondContact N-O 2.69Å; Q171-Q753 PolarHBondContact N-O 3.1Å; Q171-Q753 VanDerWaalsContact N-O 3.1Å |
| 172 | V | 29.5 | Very low | 31.1 | Very low | 63 Ų | 63 | 125.7 Ų | 125.7 | 38% | 0.382 | 72% | 0.717 | S | S | . | * | | | trans | 48.4 | 154.4 | 132.2 | -163.6 | 0 | 0 | 0 | 0 | 125.2 | A752 Q753 | V172-A752 PolarHBondContact N-O 2.87Å; V172-Q753 VanDerWaalsContact C-CD 3.48Å; V172-Q753 PolarHBondContact O-OE1 3.01Å |
| 173 | T | 27.8 | Very low | 31.1 | Very low | 94 Ų | 94 | 121.7 Ų | 121.7 | 58% | 0.577 | 71% | 0.709 | S | S | * | * | | | trans | 96.6 | 120.8 | 161.4 | -14.6 | 0 | 0 | 0 | 0 | 119.2 | Q753 | T173-Q753 PolarHBondContact O-NE2 3.17Š|
| 174 | V | 28.6 | Very low | 31.2 | Very low | 121 Ų | 121 | 123 Ų | 123 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | | | cis | 68.2 | 143.1 | 45 | -114.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 175 | T | 29.5 | Very low | 31.4 | Very low | 118 Ų | 118 | 119.1 Ų | 119.1 | 72% | 0.724 | 71% | 0.709 | S | S | * | * | | | cis | -159.3 | -171.8 | 15.9 | -28.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 176 | M | 29.3 | Very low | 30.9 | Very low | 158 Ų | 158 | 121.1 Ų | 121.1 | 78% | 0.778 | 71% | 0.712 | S | S | * | * | | | trans | 77.9 | 157.8 | 159.1 | -71.3 | -44.2 | -116.2 | 0 | 0 | 119.5 | | |
| 177 | E | 27.1 | Very low | 31 | Very low | 146 Ų | 146 | 120.8 Ų | 120.8 | 68% | 0.682 | 71% | 0.71 | S | S | * | * | | | cis | -170.1 | 164.5 | -14.8 | -175.6 | -149.1 | 96.3 | 0 | 0 | 110.8 | | |
| 178 | S | 27.8 | Very low | 31.1 | Very low | 96 Ų | 96 | 117.7 Ų | 117.7 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | | | trans | 68 | 154.2 | 155.9 | -83.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 179 | S | 26.5 | Very low | 31 | Very low | 111 Ų | 111 | 115.3 Ų | 115.3 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | | | cis | -156.8 | 153.8 | -8.2 | 48.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 180 | I | 30.8 | Very low | 30.6 | Very low | 156 Ų | 156 | 115.1 Ų | 115.1 | 80% | 0.8 | 70% | 0.698 | S | S | * | * | | | trans | -62.1 | 163.9 | 167.3 | -83.8 | 160.5 | 0 | 0 | 0 | 112 | | |
| 181 | P | 45.9 | Very low | 30.6 | Very low | 93 Ų | 93 | 120.3 Ų | 120.3 | 60% | 0.604 | 71% | 0.714 | S | S | * | * | | | cis | -147.9 | 175.1 | 33.6 | 23.2 | 5.6 | 0 | 0 | 0 | 121.8 | | |
| 182 | Q | 29.7 | Very low | 30.8 | Very low | 184 Ų | 184 | 119.2 Ų | 119.2 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | | | trans | 63.5 | 157 | 139 | -72.3 | 163.4 | -22.8 | 0 | 0 | 122.3 | | |
| 183 | A | 28 | Very low | 30.8 | Very low | 86 Ų | 86 | 119.7 Ų | 119.7 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | | | cis | -169.7 | 146.8 | -20.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 184 | S | 28.8 | Very low | 31.1 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | | | trans | 70.1 | 157.4 | 137.9 | -148.2 | 0 | 0 | 0 | 0 | 124.9 | | |
| 185 | A | 30.1 | Very low | 31.3 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | | | trans | 64.4 | 125.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 186 | I | 29.3 | Very low | 31.4 | Very low | 159 Ų | 159 | 122 Ų | 122 | 82% | 0.815 | 74% | 0.742 | S | S | * | * | | | cis | 69.4 | 125.7 | 30 | -55.5 | -177.8 | 0 | 0 | 0 | 112.9 | | |
| 187 | P | 46 | Very low | 31.3 | Very low | 110 Ų | 110 | 119.7 Ų | 119.7 | 71% | 0.714 | 73% | 0.729 | S | S | * | * | | | cis | -142.5 | -160.9 | -8.1 | 40.3 | -19 | 0 | 0 | 0 | 116.2 | | |
| 188 | V | 26.9 | Very low | 32.2 | Very low | 132 Ų | 132 | 116.2 Ų | 116.2 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | | | trans | 95.4 | 105.5 | 143.4 | 156.2 | 0 | 0 | 0 | 0 | 121.8 | | |
| 189 | A | 30.1 | Very low | 32.1 | Very low | 79 Ų | 79 | 116.2 Ų | 116.2 | 65% | 0.653 | 72% | 0.719 | S | S | * | * | | | | 78.9 | 140.5 | 129.4 | 0 | 0 | 0 | 0 | 0 | 126.3 | | |
| 190 | T | 30.6 | Very low | 32.2 | Very low | 120 Ų | 120 | 117.9 Ų | 117.9 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | | | trans | 79.7 | 123.8 | 140 | 37.2 | 0 | 0 | 0 | 0 | 124.5 | | |
| 191 | I | 32.2 | Very low | 32.2 | Very low | 152 Ų | 152 | 116.5 Ų | 116.5 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | | | trans | 81.4 | 115.3 | 135.5 | -65.4 | 165.4 | 0 | 0 | 0 | 120.4 | | |
| 192 | S | 31.6 | Very low | 31.5 | Very low | 126 Ų | 126 | 118.9 Ų | 118.9 | 88% | 0.881 | 72% | 0.716 | S | S | * | * | | | trans | 55.1 | 140.8 | 143.1 | -158.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 193 | G | 31.3 | Very low | 31.5 | Very low | 73 Ų | 73 | 117.8 Ų | 117.8 | 75% | 0.753 | 71% | 0.71 | S | S | * | * | | | trans | 152.5 | 87.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 194 | Q | 32.3 | Very low | 31.7 | Very low | 158 Ų | 158 | 120.3 Ų | 120.3 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | | | trans | -11.3 | 132.5 | 161.7 | -90.9 | -82.3 | 80.2 | 0 | 0 | 121.5 | | |
| 195 | Q | 34.3 | Very low | 31.7 | Very low | 172 Ų | 172 | 121.5 Ų | 121.5 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | | | trans | 41.4 | 114 | 144.7 | -81.8 | 179.7 | -49.7 | 0 | 0 | 121.7 | | |
| 196 | G | 30.8 | Very low | 31.6 | Very low | 51 Ų | 51 | 124.8 Ų | 124.8 | 53% | 0.526 | 72% | 0.716 | S | S | . | * | | | trans | 150.9 | 141.6 | 135.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 197 | H | 27.8 | Very low | 31.9 | Very low | 109 Ų | 109 | 121.9 Ų | 121.9 | 51% | 0.505 | 71% | 0.706 | S | S | . | * | | | trans | -161.4 | 136.4 | 173.2 | 58.9 | 123.8 | 0 | 0 | 0 | 115.3 | A773 V774 A775 | H197-A773 PolarHBondContact CE1-O 2.82Å; H197-A773 WeakPolarHBondContact NE2-CB 3.32Å; H197-V774 PolarHBondContact N-O 2.97Å; H197-V774 CarbonylContact O-C 3.29Å; H197-V774 WeakPolarHBondContact O-CA 3.01Å; H197-A775 PolarHBondContact O-N 3.1Å |
| 198 | P | 44.7 | Very low | 31.3 | Very low | 73 Ų | 73 | 123.6 Ų | 123.6 | 47% | 0.474 | 71% | 0.709 | S | S | . | * | | | trans | -146.3 | 161.4 | 141.3 | 40.6 | -26.4 | 0 | 0 | 0 | 117.4 | A775 | P198-A775 WeakPolarHBondContact CG-O 3.33Š|
| 199 | S | 27.6 | Very low | 31.6 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 67% | 0.671 | 70% | 0.704 | S | S | * | * | | | trans | 61.4 | 105.4 | 150.1 | 58.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 200 | N | 28 | Very low | 31.7 | Very low | 146 Ų | 146 | 126.2 Ų | 126.2 | 78% | 0.781 | 71% | 0.707 | S | S | * | * | | | trans | 69 | 141.7 | 136.8 | -71.3 | -52.2 | 0 | 0 | 0 | 119.6 | | |
| 201 | L | 31.3 | Very low | 31.5 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 67% | 0.67 | 71% | 0.707 | S | S | * | * | | | cis | -163.7 | 176.9 | -11.1 | -174.4 | 53.9 | 0 | 0 | 0 | 108.6 | | |
| 202 | H | 31.1 | Very low | 31.3 | Very low | 142 Ų | 142 | 124 Ų | 124 | 66% | 0.657 | 70% | 0.696 | S | S | * | * | | | trans | 78.5 | 116.1 | 172.4 | -54.2 | -75.1 | 0 | 0 | 0 | 114.4 | | |
| 203 | H | 29.9 | Very low | 31.2 | Very low | 162 Ų | 162 | 125.1 Ų | 125.1 | 75% | 0.75 | 69% | 0.69 | S | S | * | * | | | | 79.7 | 141.2 | 93.1 | -74 | 9.2 | 0 | 0 | 0 | 113.6 | | |
| 204 | I | 31.6 | Very low | 31.3 | Very low | 139 Ų | 139 | 127.4 Ų | 127.4 | 71% | 0.713 | 68% | 0.684 | S | S | * | * | | | cis | -144.9 | 169.7 | 1.9 | -129 | 163.7 | 0 | 0 | 0 | 112.8 | | |
| 205 | M | 29.1 | Very low | 31.2 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 71% | 0.709 | 69% | 0.69 | S | S | * | * | | | trans | -50.5 | 155.3 | 178.8 | -48.1 | 160.4 | 85.1 | 0 | 0 | 114.8 | T207 | M205-T207 HydrophobicContact CE-CG2 4.22Š|
| 206 | T | 27.5 | Very low | 30.8 | Very low | 149 Ų | 149 | 127.9 Ų | 127.9 | 91% | 0.914 | 69% | 0.688 | S | S | * | * | | | | -136.1 | 148.5 | 126.6 | 24.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 207 | T | 35.2 | Very low | 30.5 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 60% | 0.601 | 71% | 0.706 | S | S | * | * | | | trans | -127.6 | 145.4 | -178.3 | 52.3 | 0 | 0 | 0 | 0 | 109.7 | M205 | M205-T207 HydrophobicContact CE-CG2 4.22Š|
| 208 | N | 33.6 | Very low | 30.8 | Very low | 146 Ų | 146 | 133 Ų | 133 | 78% | 0.781 | 72% | 0.721 | S | S | * | * | | | trans | -167.8 | 128.9 | 135.8 | -91.3 | -24.9 | 0 | 0 | 0 | 108.5 | | |
| 209 | V | 33.8 | Very low | 30.6 | Very low | 115 Ų | 115 | 136 Ų | 136 | 70% | 0.697 | 74% | 0.741 | S | S | * | * | | | | 75.3 | 126 | 63 | 174.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 210 | Q | 31.1 | Very low | 30.6 | Very low | 152 Ų | 152 | 135 Ų | 135 | 71% | 0.71 | 75% | 0.745 | S | S | * | * | | | | -164.3 | 167.3 | 52.9 | -150.4 | 176.1 | 20.1 | 0 | 0 | 115.3 | | |
| 211 | M | 26.8 | Very low | 31.1 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | | | trans | 71.2 | 146.1 | 145.6 | -88.5 | -2.8 | 180 | 0 | 0 | 121 | | |
| 212 | S | 27.9 | Very low | 31.6 | Very low | 78 Ų | 78 | 134 Ų | 134 | 55% | 0.545 | 75% | 0.754 | S | S | . | * | | | cis | -163.8 | 169.5 | -11.4 | -142.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 213 | I | 30.7 | Very low | 31.3 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | | | trans | 76.1 | 151.5 | 153.6 | -76.4 | 161.6 | 0 | 0 | 0 | 119.9 | | |
| 214 | I | 32.1 | Very low | 31.4 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | | | | -166.5 | 128.3 | -56.1 | -113.9 | 168.1 | 0 | 0 | 0 | 112.8 | | |
| 215 | R | 29.9 | Very low | 31.2 | Very low | 231 Ų | 231 | 137 Ų | 137 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | | | trans | 61.4 | 170.7 | 154.9 | -60.2 | 177.8 | 178.8 | -178 | -1.3 | 117.7 | | |
| 216 | S | 25.7 | Very low | 31.1 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | cis | -151.2 | 164.6 | 14.5 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 217 | N | 26.2 | Very low | 31.3 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | | | trans | -114.5 | 146 | 173.7 | -62.9 | 5.4 | 0 | 0 | 0 | 112.4 | | |
| 218 | A | 32.2 | Very low | 30.9 | Very low | 100 Ų | 100 | 131 Ų | 131 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | | | trans | -166.3 | 151.6 | 153.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 219 | P | 42.2 | Very low | 30.9 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | | | trans | -111.8 | 163.1 | -178.2 | 40.1 | -32.6 | 0 | 0 | 0 | 115.6 | | |
| 220 | G | 26.9 | Very low | 30.8 | Very low | 73 Ų | 73 | 132.4 Ų | 132.4 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | | | trans | -163.1 | 158.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 221 | P | 37.4 | Very low | 31.3 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | -95 | 176.1 | -170.6 | 39.4 | -37.6 | 0 | 0 | 0 | 115 | | |
| 222 | P | 41.9 | Very low | 31.4 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | | | trans | -94.3 | 164.6 | -158.2 | 37.3 | -37 | 0 | 0 | 0 | 116.5 | | |
| 223 | L | 26 | Very low | 31.4 | Very low | 173 Ų | 173 | 135 Ų | 135 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | | | trans | -134 | 163.4 | 172.2 | -75.7 | 176.8 | 0 | 0 | 0 | 112.9 | | |
| 224 | H | 32 | Very low | 31.3 | Very low | 177 Ų | 177 | 132.7 Ų | 132.7 | 82% | 0.819 | 80% | 0.798 | S | S | * | * | | | trans | -134.9 | 112.3 | -164.9 | 167.5 | -70 | 0 | 0 | 0 | 112.3 | | |
| 225 | I | 27.5 | Very low | 31.2 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | | | trans | -143.3 | 144.6 | 170.6 | -64.3 | 96.4 | 0 | 0 | 0 | 105.7 | | |
| 226 | G | 25.6 | Very low | 31.1 | Very low | 68 Ų | 68 | 125 Ų | 125 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | cis | 133.5 | 124.6 | 7.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 227 | A | 31.8 | Very low | 31.3 | Very low | 107 Ų | 107 | 123.8 Ų | 123.8 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | | | trans | -107.5 | 152.5 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 228 | S | 27.9 | Very low | 31.4 | Very low | 90 Ų | 90 | 119.9 Ų | 119.9 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | | | trans | -162 | 146.2 | 164.9 | -161.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 229 | H | 33.4 | Very low | 31.3 | Very low | 157 Ų | 157 | 120.8 Ų | 120.8 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | 26.7 | 131.4 | 159.6 | 54.8 | 27.7 | 0 | 0 | 0 | 122.6 | | |
| 230 | L | 32.2 | Very low | 30.5 | Very low | 134 Ų | 134 | 122.4 Ų | 122.4 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | | | | 72.7 | 156.6 | 65.2 | -101.2 | 77.1 | 0 | 0 | 0 | 114.5 | R232 | L230-R232 HydrophobicContact CD2-CB 4.39Å; L230-R232 HydrophobicContact CG-CB 4.46Å |
| 231 | P | 40.2 | Very low | 30.4 | Very low | 127 Ų | 127 | 123.8 Ų | 123.8 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | cis | -99.4 | -153.3 | 7.5 | 40.4 | -37.9 | 0 | 0 | 0 | 114.5 | | |
| 232 | R | 29.7 | Very low | 30 | Very low | 226 Ų | 226 | 122.3 Ų | 122.3 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | | 158.3 | 107.6 | -68 | 179.7 | -173.8 | 166.1 | 134.3 | -1.4 | 113.3 | L230 | L230-R232 HydrophobicContact CD2-CB 4.39Å; L230-R232 HydrophobicContact CG-CB 4.46Å |
| 233 | G | 26.9 | Very low | 29.3 | Very low | 78 Ų | 78 | 121.5 Ų | 121.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | 125.1 | 151.4 | 169 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 234 | A | 28.7 | Very low | 29.5 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | | | cis | -162 | 174.3 | -10.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 235 | A | 30.1 | Very low | 29.3 | Very low | 103 Ų | 103 | 120.3 Ų | 120.3 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | | | trans | 69.1 | 150.9 | 177 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 236 | A | 28.9 | Very low | 29.6 | Very low | 88 Ų | 88 | 118.7 Ų | 118.7 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | cis | -164.3 | 165.5 | -22.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 237 | A | 28.7 | Very low | 29.9 | Very low | 82 Ų | 82 | 121.6 Ų | 121.6 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | trans | 46.3 | 129.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 238 | A | 29.6 | Very low | 29.7 | Very low | 86 Ų | 86 | 123.1 Ų | 123.1 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | | 68.2 | 136.1 | 53.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 239 | V | 28.8 | Very low | 29.6 | Very low | 119 Ų | 119 | 126 Ų | 126 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | cis | -167 | 149.8 | -3.2 | 100.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 240 | M | 25.6 | Very low | 29.7 | Very low | 172 Ų | 172 | 129.3 Ų | 129.3 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | | | trans | 56.8 | -177.2 | 160.6 | -69.3 | 168.6 | 67.9 | 0 | 0 | 118.2 | | |
| 241 | S | 26.5 | Very low | 29.5 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | | -172.6 | 142.7 | -53.7 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 242 | S | 27.2 | Very low | 28.9 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | | | trans | 66.9 | 111.1 | 158.7 | -156.7 | 0 | 0 | 0 | 0 | 121.9 | | |
| 243 | S | 29 | Very low | 28.9 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | | 72.9 | 134.7 | 129 | -53.1 | 0 | 0 | 0 | 0 | 124.4 | | |
| 244 | K | 28.8 | Very low | 29 | Very low | 197 Ų | 197 | 128 Ų | 128 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | | | trans | 78 | 109.8 | 159.8 | -75.9 | -173.4 | 174.1 | -178.6 | 0 | 120.9 | | |
| 245 | V | 29.3 | Very low | 28.9 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | | | | 46 | 112.3 | 113.5 | 176.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 246 | T | 33.3 | Very low | 29 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | | -153.9 | 147.3 | 55.7 | -86.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 247 | T | 32 | Very low | 28.9 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | 12.5 | 116.2 | 155.4 | -48 | 0 | 0 | 0 | 0 | 122 | | |
| 248 | V | 26.1 | Very low | 28.9 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | | | trans | -166.2 | 139.8 | 145.5 | 126.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 249 | L | 27.4 | Very low | 28.8 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | | | cis | -146.6 | -118.1 | -19.1 | -150.2 | 177.2 | 0 | 0 | 0 | 107.9 | | |
| 250 | R | 35.4 | Very low | 28.8 | Very low | 225 Ų | 225 | 136.9 Ų | 136.9 | 85% | 0.849 | 79% | 0.794 | S | S | * | * | | | trans | -146.5 | 152.3 | 163.1 | -83.1 | -164.1 | -178.6 | 95.6 | -2.6 | 110.6 | | |
| 251 | P | 28.4 | Very low | 29 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -83.3 | 150.3 | 171.6 | 34.2 | -34 | 0 | 0 | 0 | 112.5 | | |
| 252 | T | 25.6 | Very low | 29 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | trans | -107.8 | 147.9 | 165.2 | -58.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 253 | S | 31.5 | Very low | 30.1 | Very low | 95 Ų | 95 | 138 Ų | 138 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | | | trans | -79.9 | 157.9 | 179.5 | -159.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 254 | Q | 28 | Very low | 30.3 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -7.1 | 138.6 | 168.2 | -59.4 | 168.1 | -79.7 | 0 | 0 | 119.5 | | |
| 255 | L | 27.2 | Very low | 30.4 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -158.1 | 145 | 130.4 | -142.9 | 81.2 | 0 | 0 | 0 | 112.3 | | |
| 256 | P | 32.9 | Very low | 30.4 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | | | trans | -97.7 | 145.4 | 151.3 | 35 | -29.3 | 0 | 0 | 0 | 111.7 | | |
| 257 | N | 26.5 | Very low | 30.3 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | | | trans | 26.9 | 115 | 164.4 | -76.1 | 6.3 | 0 | 0 | 0 | 121.3 | | |
| 258 | A | 27.1 | Very low | 30.6 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -159.1 | 165.5 | 132.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 259 | A | 29.1 | Very low | 31 | Very low | 86 Ų | 86 | 136 Ų | 136 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | -105.7 | 168.3 | -159.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 260 | T | 27.8 | Very low | 31.2 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | | | trans | 78.7 | 136.8 | 149 | 34.5 | 0 | 0 | 0 | 0 | 123.7 | | |
| 261 | A | 29.9 | Very low | 30.9 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | | | trans | 89.9 | 148.6 | 150.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 262 | Q | 26 | Very low | 32.1 | Very low | 186 Ų | 186 | 132.1 Ų | 132.1 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | | | trans | -137 | -166.5 | 177.7 | -66.3 | -155 | -22.8 | 0 | 0 | 107.8 | | |
| 263 | P | 50.5 | Low | 32.5 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | | | cis | -142.8 | -168.9 | -1.7 | 41.5 | -19.9 | 0 | 0 | 0 | 117.5 | | |
| 264 | A | 32.7 | Very low | 32.5 | Very low | 87 Ų | 87 | 136.4 Ų | 136.4 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | | | trans | 83.3 | 153.1 | 138.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 265 | V | 31.1 | Very low | 32.6 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | | | cis | -168.6 | 135.5 | -11.9 | 130.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 266 | Q | 30.8 | Very low | 32.9 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | trans | 49 | 166.9 | 141.4 | -55.5 | -178.1 | 26.4 | 0 | 0 | 122.9 | | |
| 267 | H | 30.1 | Very low | 33.9 | Very low | 150 Ų | 150 | 135 Ų | 135 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | | | cis | -166.8 | 177.8 | -4.2 | -119.1 | -174.2 | 0 | 0 | 0 | 114.3 | | |
| 268 | I | 38.3 | Very low | 35.2 | Very low | 153 Ų | 153 | 131 Ų | 131 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | | | trans | 80.4 | 156.8 | 151.7 | -82.6 | 160.2 | 0 | 0 | 0 | 121.1 | | |
| 269 | I | 35.7 | Very low | 35.3 | Very low | 123 Ų | 123 | 132 Ų | 132 | 63% | 0.631 | 74% | 0.735 | S | S | * | * | | | cis | -167.9 | 158.2 | -46.9 | -144.6 | 170.2 | 0 | 0 | 0 | 114.5 | | |
| 270 | H | 31.1 | Very low | 35.3 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | trans | 63 | 157.5 | 163.7 | -65.1 | 153.9 | 0 | 0 | 0 | 121.9 | | |
| 271 | Q | 28 | Very low | 35.5 | Very low | 169 Ų | 169 | 133.1 Ų | 133.1 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | | | cis | 96.7 | 151.5 | 6.5 | -65.7 | -98.6 | 70.8 | 0 | 0 | 118.1 | | |
| 272 | P | 53.9 | Low | 35.5 | Very low | 97 Ų | 97 | 133.7 Ų | 133.7 | 63% | 0.63 | 73% | 0.731 | S | S | * | * | | | cis | -141 | -162.8 | -21.7 | 30.7 | -4.4 | 0 | 0 | 0 | 116.3 | | |
| 273 | I | 33.4 | Very low | 35.8 | Very low | 147 Ų | 147 | 132 Ų | 132 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | | | trans | 115.3 | 123.8 | 147.2 | -64.4 | 165.7 | 0 | 0 | 0 | 123.1 | | |
| 274 | Q | 32.9 | Very low | 34.7 | Very low | 180 Ų | 180 | 130.6 Ų | 130.6 | 84% | 0.841 | 73% | 0.726 | S | S | * | * | | | trans | 30.8 | 168.5 | 141.9 | -71.3 | -178 | -3.7 | 0 | 0 | 125.7 | | |
| 275 | S | 29.3 | Very low | 34.6 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | | | cis | -162 | -179.1 | -5.2 | 37.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 276 | R | 33.6 | Very low | 35.8 | Very low | 204 Ų | 204 | 133.2 Ų | 133.2 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | | | trans | -97.5 | 177.2 | -176.9 | -151.6 | -155.4 | 160.8 | -163.2 | -5.5 | 113.9 | P278 | R276-P278 PolarHBondContact NH2-O 3.03Š|
| 277 | P | 54.9 | Low | 36.5 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 63% | 0.63 | 74% | 0.735 | S | S | * | * | | | | -150.4 | -133.9 | 95.4 | 41.7 | -21.4 | 0 | 0 | 0 | 112.5 | | |
| 278 | P | 52.3 | Low | 36.6 | Very low | 82 Ų | 82 | 129.6 Ų | 129.6 | 53% | 0.532 | 74% | 0.738 | S | S | . | * | | | cis | -121.5 | -152.9 | -42 | 35.5 | -15 | 0 | 0 | 0 | 112.9 | R276 | R276-P278 PolarHBondContact NH2-O 3.03Š|
| 279 | V | 30.3 | Very low | 36.2 | Very low | 124 Ų | 124 | 129 Ų | 129 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | | | trans | 61.4 | 168.9 | 158 | -63.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 280 | T | 27.7 | Very low | 35.9 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | cis | -151 | -167.5 | 15.4 | -23.2 | 0 | 0 | 0 | 0 | 114 | | |
| 281 | T | 32.7 | Very low | 35.8 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | trans | -155.3 | 177.7 | -167 | 41.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 282 | S | 30.5 | Very low | 35.9 | Very low | 112 Ų | 112 | 124.4 Ų | 124.4 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | | | cis | 179.9 | 169.1 | -21 | -84.8 | 0 | 0 | 0 | 0 | 108 | | |
| 283 | N | 31.2 | Very low | 34.6 | Very low | 151 Ų | 151 | 126 Ų | 126 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | | | cis | -174.4 | 170.2 | -27.7 | -176.9 | 30.5 | 0 | 0 | 0 | 110.2 | | |
| 284 | A | 29.1 | Very low | 34.4 | Very low | 81 Ų | 81 | 123.8 Ų | 123.8 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | | | trans | 86.7 | 174.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 285 | I | 29.4 | Very low | 34.3 | Very low | 157 Ų | 157 | 119.2 Ų | 119.2 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | | | | -134.3 | -142.4 | -99.9 | -37.3 | -178.2 | 0 | 0 | 0 | 112.3 | | |
| 286 | P | 55.7 | Low | 34.3 | Very low | 101 Ų | 101 | 119.7 Ų | 119.7 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | | | trans | -124.4 | -164 | -132.7 | 45.8 | -26.6 | 0 | 0 | 0 | 117.4 | | |
| 287 | P | 46.3 | Very low | 34.1 | Very low | 131 Ų | 131 | 120.8 Ų | 120.8 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | | | trans | -120.2 | 171.4 | 138.3 | 38 | -30.5 | 0 | 0 | 0 | 114 | | |
| 288 | A | 31.8 | Very low | 32.8 | Very low | 93 Ų | 93 | 120 Ų | 120 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | | | trans | -149.6 | -152.8 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 289 | V | 30.9 | Very low | 31.7 | Very low | 141 Ų | 141 | 124.8 Ų | 124.8 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | | | trans | 100 | 123.3 | -172.3 | 178.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 290 | V | 28.2 | Very low | 31.7 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | | | cis | -131.4 | -88.1 | -13.7 | 44.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 291 | A | 28.8 | Very low | 32.1 | Very low | 89 Ų | 89 | 124 Ų | 124 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | cis | -147.7 | 175.1 | -0.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 292 | T | 30.4 | Very low | 31.8 | Very low | 129 Ų | 129 | 124.1 Ų | 124.1 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | -109.4 | 141.3 | -169.6 | 42.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 293 | V | 27.9 | Very low | 31.6 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | | | cis | -144.6 | 165.3 | -3.6 | -141.9 | 0 | 0 | 0 | 0 | 105.1 | | |
| 294 | S | 28.7 | Very low | 31.3 | Very low | 100 Ų | 100 | 124.6 Ų | 124.6 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | cis | -150.1 | 152.1 | 15.2 | -28.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 295 | A | 30 | Very low | 31.3 | Very low | 84 Ų | 84 | 126.6 Ų | 126.6 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | | | | 61.3 | 125.9 | 90.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 296 | T | 30.1 | Very low | 31.2 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | | | cis | -156.3 | 132.3 | -2.1 | 6.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 297 | R | 29.5 | Very low | 29.8 | Very low | 227 Ų | 227 | 124.7 Ų | 124.7 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | | | | 65.6 | 131.1 | 87.1 | -166.3 | -172 | -168.9 | -171.2 | 3.9 | 114.2 | | |
| 298 | A | 28.2 | Very low | 29 | Very low | 81 Ų | 81 | 122.1 Ų | 122.1 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | | | cis | -172.5 | -168.5 | -20 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 299 | Q | 28 | Very low | 29 | Very low | 182 Ų | 182 | 125.9 Ų | 125.9 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | | | trans | 95.9 | 110.1 | 160 | -57.7 | -173.6 | -12.2 | 0 | 0 | 118.2 | | |
| 300 | S | 30.3 | Very low | 29.6 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | -68.8 | 167.7 | 152.9 | -20.6 | 0 | 0 | 0 | 0 | 110 | | |
| 301 | P | 36.8 | Very low | 30 | Very low | 116 Ų | 116 | 120.5 Ų | 120.5 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | | | | -157 | -168.8 | 60.6 | 43.7 | -21.8 | 0 | 0 | 0 | 117.4 | | |
| 302 | V | 25.8 | Very low | 30.1 | Very low | 129 Ų | 129 | 123.1 Ų | 123.1 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | | | trans | 80.3 | 153.1 | 146.1 | 155.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 303 | I | 26.5 | Very low | 30.3 | Very low | 147 Ų | 147 | 121.6 Ų | 121.6 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | trans | -50.8 | 149.9 | 173.8 | -57.1 | 146.9 | 0 | 0 | 0 | 113.3 | | |
| 304 | T | 25.4 | Very low | 30.5 | Very low | 126 Ų | 126 | 119.5 Ų | 119.5 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | | | | 177.3 | 164.5 | 129.7 | -74.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 305 | T | 27.8 | Very low | 30.7 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | trans | -68.2 | -177.1 | 176.3 | 52.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 306 | T | 27.6 | Very low | 30.6 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | | | cis | -168.2 | 150.4 | 41 | -57 | 0 | 0 | 0 | 0 | 112.4 | A308 | T306-A308 HydrophobicContact CG2-CB 3.7Š|
| 307 | A | 26.8 | Very low | 31 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | | | trans | -141.8 | 123.7 | 141.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 308 | A | 30.3 | Very low | 31.1 | Very low | 78 Ų | 78 | 124 Ų | 124 | 65% | 0.645 | 75% | 0.747 | S | S | * | * | | | trans | -131.3 | 152.3 | -161.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T306 | T306-A308 HydrophobicContact CG2-CB 3.7Š|
| 309 | H | 32 | Very low | 30.9 | Very low | 171 Ų | 171 | 125.5 Ų | 125.5 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | | | trans | -141.5 | 149.3 | 169.2 | -83.1 | 3.9 | 0 | 0 | 0 | 109.2 | P325 | H309-P325 HydrophobicContact CB-CG 3.6Š|
| 310 | A | 43.3 | Very low | 31.3 | Very low | 62 Ų | 62 | 124.7 Ų | 124.7 | 51% | 0.512 | 75% | 0.749 | S | S | . | * | | | trans | -149.2 | -171.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P325 P326 | A310-P325 CarbonylContact O-C 2.93Å; A310-P325 VanDerWaalsContact O-C 3.3Å; A310-P326 WeakPolarHBondContact O-CA 3.31Å |
| 311 | T | 36.3 | Very low | 31.3 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 61% | 0.613 | 75% | 0.746 | S | S | * | * | | | trans | -154.4 | 174.6 | 167.4 | 53.3 | 0 | 0 | 0 | 0 | 107.5 | P326 | T311-P326 HydrophobicContact CG2-CB 3.84Š|
| 312 | D | 31.3 | Very low | 31.2 | Very low | 145 Ų | 145 | 125.7 Ų | 125.7 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | | | cis | -135.7 | -128 | 2.9 | -167.5 | -140.4 | 0 | 0 | 0 | 108.7 | | |
| 313 | S | 33.8 | Very low | 31.6 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | cis | -165.5 | -177.5 | -6.8 | -148.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 314 | A | 32.3 | Very low | 32 | Very low | 86 Ų | 86 | 129.6 Ų | 129.6 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | trans | 49.1 | 92.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 315 | L | 33.7 | Very low | 33.2 | Very low | 168 Ų | 168 | 125.2 Ų | 125.2 | 88% | 0.88 | 73% | 0.726 | S | S | * | * | | | trans | 49.3 | 121.1 | 142.2 | -73.6 | 164.9 | 0 | 0 | 0 | 123 | | |
| 316 | S | 27.2 | Very low | 34.3 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | | | trans | 79.2 | 67.2 | 139.8 | -57.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 317 | R | 37.8 | Very low | 34.6 | Very low | 242 Ų | 242 | 124.1 Ų | 124.1 | 91% | 0.913 | 73% | 0.725 | S | S | * | * | | | trans | 35.8 | 134.3 | 137.1 | -87.9 | -171.5 | 176.7 | -150.4 | -1 | 120.4 | | |
| 318 | P | 31.2 | Very low | 34.8 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | | | | -138.8 | 159.5 | 61.5 | 39.8 | -25.4 | 0 | 0 | 0 | 118.2 | | |
| 319 | T | 24.4 | Very low | 34.8 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | | | trans | 49 | 112.7 | 154.4 | 50.3 | 0 | 0 | 0 | 0 | 122.2 | | |
| 320 | L | 37.3 | Very low | 34.8 | Very low | 164 Ų | 164 | 123.6 Ų | 123.6 | 86% | 0.859 | 73% | 0.726 | S | S | * | * | | | trans | 76.3 | 127.8 | 140.9 | -62.1 | 166.4 | 0 | 0 | 0 | 120.7 | | |
| 321 | S | 29.1 | Very low | 33.9 | Very low | 105 Ų | 105 | 126 Ų | 126 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | trans | 95.3 | 131.9 | 156.3 | 81.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 322 | I | 35.5 | Very low | 33.7 | Very low | 148 Ų | 148 | 128 Ų | 128 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | | | trans | 81.5 | 128.6 | 146.5 | -65.8 | 156.8 | 0 | 0 | 0 | 121.8 | | |
| 323 | Q | 33.4 | Very low | 33.4 | Very low | 182 Ų | 182 | 127.6 Ų | 127.6 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | | | trans | 80.3 | 171.4 | 160.1 | -119.9 | 141.3 | -43.4 | 0 | 0 | 123.1 | | |
| 324 | H | 35.1 | Very low | 33.1 | Very low | 175 Ų | 175 | 133.2 Ų | 133.2 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | | | trans | -144.4 | 168.2 | -162.1 | -107.7 | -111 | 0 | 0 | 0 | 110.3 | | |
| 325 | P | 50.7 | Low | 33.4 | Very low | 34 Ų | 34 | 134.6 Ų | 134.6 | 22% | 0.221 | 75% | 0.746 | C | S | . | * | | | cis | -141.1 | -154.8 | 15 | 44.2 | -22.8 | 0 | 0 | 0 | 115.3 | H309 A310 | H309-P325 HydrophobicContact CB-CG 3.6Å; A310-P325 CarbonylContact O-C 2.93Å; A310-P325 VanDerWaalsContact O-C 3.3Å |
| 326 | P | 50.3 | Low | 33.1 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 62% | 0.617 | 74% | 0.739 | S | S | * | * | | | trans | -146.9 | 158.3 | 165.5 | 41.2 | -25 | 0 | 0 | 0 | 119 | A310 T311 | A310-P326 WeakPolarHBondContact O-CA 3.31Å; T311-P326 HydrophobicContact CG2-CB 3.84Å |
| 327 | S | 35.4 | Very low | 33 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | trans | 174.2 | 135 | 147 | -169.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 328 | A | 30.1 | Very low | 32.4 | Very low | 94 Ų | 94 | 128.6 Ų | 128.6 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | | | trans | 132.8 | 145.9 | 137.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 329 | A | 31.5 | Very low | 32.3 | Very low | 87 Ų | 87 | 134 Ų | 134 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | | | trans | 92.4 | 117.6 | 143.6 | 0 | 0 | 0 | 0 | 0 | 126.4 | | |
| 330 | I | 31.1 | Very low | 32.6 | Very low | 165 Ų | 165 | 136 Ų | 136 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | | | trans | 65.3 | 125.1 | 131.6 | -57 | 167.3 | 0 | 0 | 0 | 122.7 | | |
| 331 | S | 24.7 | Very low | 32.3 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | | | | 178.9 | 178.7 | 117.5 | -157.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 332 | I | 32.1 | Very low | 32.5 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | | | trans | -127.1 | 178.5 | -164.4 | 53.2 | 173 | 0 | 0 | 0 | 112.1 | | |
| 333 | Q | 24.2 | Very low | 32.5 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 64% | 0.64 | 75% | 0.748 | S | S | * | * | | | cis | -170.6 | -179.6 | 36.9 | -158.8 | -175.2 | 98.6 | 0 | 0 | 111.8 | | |
| 334 | R | 28.4 | Very low | 32.4 | Very low | 214 Ų | 214 | 135.7 Ų | 135.7 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | | | trans | 90.1 | 158.7 | 152.8 | -81.8 | -170.7 | -162.9 | -179.2 | 4.6 | 120.8 | | |
| 335 | P | 37.7 | Very low | 32.3 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | | | trans | -143.9 | -174.2 | -130 | 45.7 | -26.2 | 0 | 0 | 0 | 118.9 | | |
| 336 | A | 27.2 | Very low | 31.3 | Very low | 88 Ų | 88 | 139 Ų | 139 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | 99.4 | 150.9 | 138.5 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 337 | Q | 25.1 | Very low | 30.1 | Very low | 179 Ų | 179 | 142 Ų | 142 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | | | trans | 77.8 | 144.1 | 166.2 | -61.6 | -158.6 | 0.5 | 0 | 0 | 121.7 | | |
| 338 | S | 26.3 | Very low | 30.8 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -152.7 | 154.6 | 159 | 58.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 339 | R | 29.8 | Very low | 30.8 | Very low | 228 Ų | 228 | 141.7 Ų | 141.7 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | | | trans | -145.8 | 115.8 | -179.7 | -89.1 | -178.5 | 167 | 173.8 | -4.6 | 111.6 | | |
| 340 | D | 30.5 | Very low | 30.7 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | | | | 47 | 160.4 | 119.5 | -141.1 | -12.7 | 0 | 0 | 0 | 124.1 | | |
| 341 | V | 29.7 | Very low | 31.7 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | | | trans | 99.4 | 92.9 | 156.8 | -166.2 | 0 | 0 | 0 | 0 | 122.7 | | |
| 342 | T | 33.3 | Very low | 32.1 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | | | | 61.2 | 154.5 | 114.6 | -44.7 | 0 | 0 | 0 | 0 | 126.6 | | |
| 343 | T | 35.8 | Very low | 31.9 | Very low | 130 Ų | 130 | 144 Ų | 144 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | | | trans | 97.6 | 142.9 | 166.4 | 69.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 344 | R | 32.6 | Very low | 32.1 | Very low | 224 Ų | 224 | 140.9 Ų | 140.9 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | cis | 114.9 | 116.9 | -1.7 | -169 | -172.9 | -167 | -106.2 | 3.4 | 115.9 | | |
| 345 | I | 32.8 | Very low | 32.2 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | | | trans | -168.3 | 170 | 161.2 | -102.7 | 150 | 0 | 0 | 0 | 111.6 | | |
| 346 | T | 28.9 | Very low | 32.1 | Very low | 109 Ų | 109 | 137 Ų | 137 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | | | trans | -160.4 | 163.3 | -167.5 | -33.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 347 | L | 25.1 | Very low | 32.1 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | | | trans | 80.4 | 163.4 | 160.6 | -63 | -178.9 | 0 | 0 | 0 | 120.1 | | |
| 348 | P | 50.3 | Low | 32.1 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | | | cis | -143.7 | 168.9 | -33.5 | 38 | -19 | 0 | 0 | 0 | 119.2 | | |
| 349 | S | 29.3 | Very low | 32.1 | Very low | 97 Ų | 97 | 144.3 Ų | 144.3 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | trans | 61.9 | 106.5 | 140 | 63.2 | 0 | 0 | 0 | 0 | 126.1 | | |
| 350 | H | 30.9 | Very low | 31.8 | Very low | 175 Ų | 175 | 141 Ų | 141 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | | 56 | 158.7 | 115.4 | -75.3 | -42.8 | 0 | 0 | 0 | 124.5 | | |
| 351 | P | 52.1 | Low | 31.7 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | | | cis | -82 | -150 | 7.8 | 37 | -39 | 0 | 0 | 0 | 113.9 | | |
| 352 | A | 32.4 | Very low | 31.5 | Very low | 84 Ų | 84 | 141.6 Ų | 141.6 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | | | cis | -158.6 | 176.4 | -0.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 353 | L | 27.8 | Very low | 31.2 | Very low | 176 Ų | 176 | 144.1 Ų | 144.1 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | cis | -165.4 | 177.3 | -18.6 | -125.2 | 175.7 | 0 | 0 | 0 | 108 | | |
| 354 | G | 28.2 | Very low | 30.8 | Very low | 71 Ų | 71 | 142.1 Ų | 142.1 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | | | trans | 101.3 | 121.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 355 | T | 29.8 | Very low | 30.5 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | | | trans | -88.4 | 171.7 | -173.4 | 47.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 356 | P | 36.4 | Very low | 30.4 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | | | cis | -139.9 | 163 | -28.6 | 34.5 | -17.1 | 0 | 0 | 0 | 115.4 | | |
| 357 | K | 27.1 | Very low | 30.3 | Very low | 204 Ų | 204 | 142.2 Ų | 142.2 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | | | | 174.9 | 133.1 | 126.5 | -100.4 | 173 | 179.1 | 178.9 | 0 | 114.3 | | |
| 358 | Q | 25.8 | Very low | 30.6 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | | | trans | -118 | 142.3 | 156.5 | -79.6 | 175.1 | -25.3 | 0 | 0 | 106.2 | | |
| 359 | Q | 26.7 | Very low | 29.6 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | | 71.1 | 96 | 57.8 | -168.1 | -170 | -1.3 | 0 | 0 | 114.2 | | |
| 360 | L | 23.5 | Very low | 29.4 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | trans | -158.3 | 167.9 | 130 | -140.3 | 78.1 | 0 | 0 | 0 | 110.7 | | |
| 361 | H | 27.3 | Very low | 29.3 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | | | trans | -94.8 | 170.7 | 172 | -46 | 150.6 | 0 | 0 | 0 | 110.8 | | |
| 362 | T | 24.9 | Very low | 28.2 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | | | | 154.8 | 133.6 | 123.7 | -67.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 363 | M | 27.4 | Very low | 28.1 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | | | trans | 72.5 | 127.1 | 160 | -77.8 | -73.1 | -145.8 | 0 | 0 | 123.3 | | |
| 364 | A | 27.5 | Very low | 28.5 | Very low | 88 Ų | 88 | 141 Ų | 141 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | 63.5 | 138.3 | 146.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 365 | Q | 27.5 | Very low | 28.5 | Very low | 178 Ų | 178 | 144.7 Ų | 144.7 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | cis | -144.5 | 147.2 | 22.9 | -64.1 | 175.8 | 26.5 | 0 | 0 | 114.6 | | |
| 366 | K | 29.7 | Very low | 28.5 | Very low | 182 Ų | 182 | 142.7 Ų | 142.7 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | 29.5 | 103.1 | 141.8 | -161.3 | 177.9 | -172.5 | -179.1 | 0 | 119.6 | I368 | K366-I368 HydrophobicContact CG-CD1 4.46Å; K366-I368 HydrophobicContact CG-CG1 4.3Å |
| 367 | T | 27 | Very low | 28 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | | | trans | -121.8 | 153.2 | 156 | -60.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 368 | I | 31 | Very low | 28.1 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 55% | 0.554 | 80% | 0.795 | S | S | * | * | | | trans | -128 | 149.6 | -160.9 | -50.1 | 179.5 | 0 | 0 | 0 | 111.4 | K366 | K366-I368 HydrophobicContact CG-CD1 4.46Å; K366-I368 HydrophobicContact CG-CG1 4.3Å |
| 369 | F | 29.6 | Very low | 28.2 | Very low | 187 Ų | 187 | 134.5 Ų | 134.5 | 82% | 0.82 | 80% | 0.797 | S | S | * | * | | | trans | 75.7 | 92.8 | 173 | -61.8 | -53.5 | 0 | 0 | 0 | 119.6 | | |
| 370 | S | 25.4 | Very low | 28.3 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | | 31.1 | 140.3 | 125.8 | -55.3 | 0 | 0 | 0 | 0 | 123.1 | | |
| 371 | T | 28.3 | Very low | 28.5 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | | | trans | -74 | 151.7 | 177.6 | 48.6 | 0 | 0 | 0 | 0 | 116 | | |
| 372 | G | 29.9 | Very low | 29.1 | Very low | 81 Ų | 81 | 128 Ų | 128 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | trans | -147.1 | 118.5 | 154.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 373 | T | 30.6 | Very low | 29.2 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -100.1 | 144.4 | -176.2 | 44 | 0 | 0 | 0 | 0 | 112.8 | | |
| 374 | P | 34.4 | Very low | 29.1 | Very low | 123 Ų | 123 | 130 Ų | 130 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | | | trans | -84.3 | 153.3 | -178 | 34.8 | -36 | 0 | 0 | 0 | 113.3 | | |
| 375 | V | 27.9 | Very low | 29.1 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | | | trans | -134.4 | 136.2 | 162.9 | 176.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 376 | A | 29.8 | Very low | 29 | Very low | 97 Ų | 97 | 127 Ų | 127 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | | | trans | -121.5 | 155.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 377 | A | 26.5 | Very low | 28.9 | Very low | 106 Ų | 106 | 125 Ų | 125 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | | | trans | -81.7 | 153.6 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 378 | A | 29.1 | Very low | 29 | Very low | 72 Ų | 72 | 124.2 Ų | 124.2 | 60% | 0.595 | 79% | 0.79 | S | S | * | * | | | trans | -155.6 | 113 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 379 | T | 29.3 | Very low | 28.9 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | | | trans | 40.4 | 128.1 | 139.2 | -44.9 | 0 | 0 | 0 | 0 | 121.9 | | |
| 380 | V | 28 | Very low | 28.9 | Very low | 139 Ų | 139 | 123.4 Ų | 123.4 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | | | trans | -102.2 | 148.2 | 171.4 | 173.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 381 | A | 28 | Very low | 28.8 | Very low | 89 Ų | 89 | 123.8 Ų | 123.8 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | -145.1 | 158.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 382 | P | 39.9 | Very low | 28.8 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | | | trans | -109 | 174.6 | -136.4 | 40.6 | -39 | 0 | 0 | 0 | 116.3 | | |
| 383 | I | 25.8 | Very low | 28.7 | Very low | 179 Ų | 179 | 125 Ų | 125 | 92% | 0.918 | 80% | 0.804 | S | S | * | * | | | trans | -166.1 | 169.5 | 139.9 | -101.6 | 153.7 | 0 | 0 | 0 | 111.6 | | |
| 384 | L | 26.8 | Very low | 28.6 | Very low | 160 Ų | 160 | 125.4 Ų | 125.4 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | | | trans | -94.1 | 153.3 | -153.2 | -145.4 | 74.2 | 0 | 0 | 0 | 117 | | |
| 385 | A | 26.8 | Very low | 28.3 | Very low | 81 Ų | 81 | 124.5 Ų | 124.5 | 67% | 0.669 | 81% | 0.809 | S | S | * | * | | | trans | 64 | 136.1 | 144.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 386 | T | 25.1 | Very low | 28.2 | Very low | 122 Ų | 122 | 121.2 Ų | 121.2 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | | 170.2 | 135.8 | 101.8 | -66.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 387 | N | 28.1 | Very low | 28 | Very low | 140 Ų | 140 | 122.2 Ų | 122.2 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | | | trans | 42.7 | 111.7 | 160.1 | -65 | -14.7 | 0 | 0 | 0 | 124.6 | | |
| 388 | T | 29.3 | Very low | 28.1 | Very low | 128 Ų | 128 | 123.2 Ų | 123.2 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | | 15.2 | 135.6 | 109.8 | -37.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 389 | I | 28.1 | Very low | 27.8 | Very low | 163 Ų | 163 | 124.8 Ų | 124.8 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | | | trans | -144.6 | 169.7 | 151.9 | 15.9 | 178.4 | 0 | 0 | 0 | 109.4 | | |
| 390 | P | 29.5 | Very low | 27.8 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | | | trans | -121.7 | 179.3 | -135.4 | 44.1 | -34.1 | 0 | 0 | 0 | 116.8 | | |
| 391 | S | 23.9 | Very low | 27.8 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | trans | -125.5 | 153.8 | 159.9 | -76.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 392 | A | 27.7 | Very low | 27.8 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | | | trans | -120 | 153.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 393 | T | 28.4 | Very low | 27.2 | Very low | 146 Ų | 146 | 126.5 Ų | 126.5 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | | | trans | -138.2 | 150.5 | 170.6 | -47.6 | 0 | 0 | 0 | 0 | 110 | | |
| 394 | T | 28.8 | Very low | 28.3 | Very low | 140 Ų | 140 | 122.9 Ų | 122.9 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | -90.9 | 164 | -165.5 | -61.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 395 | A | 28.2 | Very low | 28.4 | Very low | 103 Ų | 103 | 121.4 Ų | 121.4 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | -65.2 | 161.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 396 | G | 25.6 | Very low | 28.5 | Very low | 80 Ų | 80 | 121.9 Ų | 121.9 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | -169 | 129 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 397 | S | 25.8 | Very low | 28.6 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -88.6 | 172.8 | 176.8 | 48.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 398 | V | 26.8 | Very low | 28.5 | Very low | 128 Ų | 128 | 123 Ų | 123 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | cis | -156.2 | 167.5 | 44.5 | 177 | 0 | 0 | 0 | 0 | 111.9 | | |
| 399 | S | 23 | Very low | 28.5 | Very low | 104 Ų | 104 | 123.1 Ų | 123.1 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -32.2 | 148.1 | 173.5 | -50.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 400 | H | 30.6 | Very low | 28.3 | Very low | 157 Ų | 157 | 121.5 Ų | 121.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | | 70.6 | 142 | 64.7 | -125.7 | 53.5 | 0 | 0 | 0 | 112.9 | | |
| 401 | T | 27 | Very low | 28.1 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | cis | -156.4 | -176.5 | 35.2 | 39.2 | 0 | 0 | 0 | 0 | 112 | | |
| 402 | Q | 28.3 | Very low | 28.2 | Very low | 148 Ų | 148 | 123.5 Ų | 123.5 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | cis | 179.2 | 103.6 | -42 | -176.9 | -178.7 | -6.8 | 0 | 0 | 113.5 | | |
| 403 | A | 27.4 | Very low | 28.1 | Very low | 96 Ų | 96 | 124.4 Ų | 124.4 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | | | trans | 58.8 | -160.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 404 | P | 48.8 | Very low | 28.3 | Very low | 103 Ų | 103 | 122.7 Ų | 122.7 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | | | cis | -126.4 | 173.6 | -24 | 27.8 | -4.9 | 0 | 0 | 0 | 114.2 | | |
| 405 | T | 28.4 | Very low | 28 | Very low | 129 Ų | 129 | 120.2 Ų | 120.2 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | | | | 160 | 163.4 | 100.3 | 43.3 | 0 | 0 | 0 | 0 | 110 | | |
| 406 | S | 28.9 | Very low | 28 | Very low | 91 Ų | 91 | 123.7 Ų | 123.7 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | | | cis | -172 | 141.9 | -27 | -86.4 | 0 | 0 | 0 | 0 | 113 | | |
| 407 | T | 28.1 | Very low | 28.1 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | | | trans | 64.2 | 160.6 | 157.8 | 10.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 408 | I | 26.9 | Very low | 28.2 | Very low | 148 Ų | 148 | 123.2 Ų | 123.2 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | | | cis | -131.7 | 153.1 | 14.5 | -60.1 | 172.6 | 0 | 0 | 0 | 111.6 | | |
| 409 | V | 27.9 | Very low | 28.4 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 79% | 0.788 | 74% | 0.737 | S | S | * | * | | | trans | -111.4 | 139.1 | 168.7 | 173 | 0 | 0 | 0 | 0 | 110.6 | | |
| 410 | T | 24.8 | Very low | 28.6 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | | | trans | -136.1 | 138.7 | 159.8 | -53.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 411 | M | 24.4 | Very low | 28.7 | Very low | 156 Ų | 156 | 122.8 Ų | 122.8 | 77% | 0.768 | 74% | 0.737 | S | S | * | * | | | trans | -82.8 | 172.1 | 179.9 | -50.9 | -168.7 | 78.9 | 0 | 0 | 111.2 | | |
| 412 | T | 25.5 | Very low | 28.7 | Very low | 130 Ų | 130 | 120.8 Ų | 120.8 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | | | | -174.4 | 158.2 | 88.2 | -66 | 0 | 0 | 0 | 0 | 111.3 | | |
| 413 | V | 26.4 | Very low | 28.5 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | trans | -63.4 | -168.5 | -178.7 | -53.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 414 | P | 32.1 | Very low | 28.5 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | | | cis | -137.2 | 147.7 | -13.1 | 34.8 | -14.8 | 0 | 0 | 0 | 117.7 | | |
| 415 | S | 24 | Very low | 27.6 | Very low | 88 Ų | 88 | 123.6 Ų | 123.6 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | | | | 36.8 | 152.5 | 123.9 | -146.3 | 0 | 0 | 0 | 0 | 125.7 | | |
| 416 | H | 27.3 | Very low | 27.4 | Very low | 177 Ų | 177 | 123.2 Ų | 123.2 | 82% | 0.819 | 75% | 0.751 | S | S | * | * | | | trans | 76.4 | 150.4 | 158.9 | -56.9 | -53.1 | 0 | 0 | 0 | 118.9 | | |
| 417 | S | 28.4 | Very low | 27.5 | Very low | 92 Ų | 92 | 125.6 Ų | 125.6 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | | | cis | -171.2 | 174.2 | -15.7 | 174.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 418 | S | 28.1 | Very low | 28.2 | Very low | 94 Ų | 94 | 125.3 Ų | 125.3 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | | | trans | 84.5 | 141.8 | 151.6 | -53.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 419 | H | 29.2 | Very low | 28.8 | Very low | 169 Ų | 169 | 124.2 Ų | 124.2 | 78% | 0.782 | 75% | 0.751 | S | S | * | * | | | cis | -168.5 | 156.1 | -11.8 | -123.3 | -55.2 | 0 | 0 | 0 | 113.5 | | |
| 420 | A | 29 | Very low | 28.8 | Very low | 76 Ų | 76 | 124.1 Ų | 124.1 | 63% | 0.628 | 75% | 0.751 | S | S | * | * | | | trans | 72.4 | 162.7 | 132.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 421 | T | 30.9 | Very low | 28.9 | Very low | 136 Ų | 136 | 122.7 Ų | 122.7 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | | | cis | -170 | 165.6 | -15.8 | 29.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 422 | A | 28 | Very low | 29.2 | Very low | 78 Ų | 78 | 124.5 Ų | 124.5 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | | | cis | -178.9 | 162.4 | -30.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 423 | V | 23.4 | Very low | 29.2 | Very low | 145 Ų | 145 | 124.4 Ų | 124.4 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | | | trans | -133.2 | 94.6 | 157.7 | -179.2 | 0 | 0 | 0 | 0 | 106.3 | | |
| 424 | T | 27.2 | Very low | 29.4 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | | | | 73.8 | 90.3 | 83.4 | -53.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 425 | T | 29.7 | Very low | 29.5 | Very low | 146 Ų | 146 | 124.4 Ų | 124.4 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | | | trans | -124.2 | 149.1 | 143 | 48 | 0 | 0 | 0 | 0 | 107 | | |
| 426 | S | 25.2 | Very low | 29.7 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | | | trans | -114.9 | 161.1 | -165.3 | -162.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 427 | N | 30.9 | Very low | 29.6 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | trans | -100 | 134.1 | -165.8 | -94.5 | -24.1 | 0 | 0 | 0 | 115.3 | | |
| 428 | I | 43.1 | Very low | 29.6 | Very low | 131 Ų | 131 | 129.3 Ų | 129.3 | 67% | 0.672 | 76% | 0.761 | S | S | * | * | | | | 9.5 | 132.3 | 119.6 | -50.4 | 165.7 | 0 | 0 | 0 | 117.5 | V430 | I428-V430 HydrophobicContact CG2-CG2 4.23Š|
| 429 | P | 38.8 | Very low | 29.3 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | trans | -108.4 | 120.1 | 134.7 | 33.3 | -26.1 | 0 | 0 | 0 | 109.7 | | |
| 430 | V | 29.2 | Very low | 29.3 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | | | | 80.5 | 104.2 | 52.8 | 177.9 | 0 | 0 | 0 | 0 | 113.3 | I428 | I428-V430 HydrophobicContact CG2-CG2 4.23Š|
| 431 | A | 27.1 | Very low | 29.2 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | trans | -160.4 | 132 | 146.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 432 | K | 29.8 | Very low | 29 | Very low | 195 Ų | 195 | 131 Ų | 131 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | | | trans | -90.7 | 161.6 | 152.8 | -73.2 | -178.6 | 177.8 | -179.5 | 0 | 107.4 | | |
| 433 | V | 25 | Very low | 29 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | | 174.1 | 118.6 | 89.9 | 152.4 | 0 | 0 | 0 | 0 | 104.1 | | |
| 434 | V | 32 | Very low | 29.2 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | | | | 57.9 | 130.8 | 90.9 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 435 | P | 34.1 | Very low | 29.3 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | cis | -121 | 179.1 | 34.3 | 29 | -5.1 | 0 | 0 | 0 | 113 | | |
| 436 | Q | 26.6 | Very low | 29.4 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | cis | 64 | 127 | 45.9 | -177.8 | 169.7 | 3.8 | 0 | 0 | 111.3 | | |
| 437 | Q | 26.1 | Very low | 29.5 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | cis | -152.3 | -172.5 | 14.1 | -153.3 | 159.7 | -21.9 | 0 | 0 | 111.5 | | |
| 438 | I | 28.1 | Very low | 29.2 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | 76.9 | 136.9 | 161.7 | -62.3 | 155.3 | 0 | 0 | 0 | 115.5 | | |
| 439 | T | 23.2 | Very low | 28.7 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 64% | 0.644 | 77% | 0.766 | S | S | * | * | | | cis | -164.5 | 130.8 | -27.8 | -87.7 | 0 | 0 | 0 | 0 | 105.6 | | |
| 440 | H | 27.3 | Very low | 28.7 | Very low | 177 Ų | 177 | 142.1 Ų | 142.1 | 82% | 0.819 | 76% | 0.764 | S | S | * | * | | | trans | -162.7 | 126.5 | 145 | -95.1 | -59.1 | 0 | 0 | 0 | 112.4 | | |
| 441 | T | 28.4 | Very low | 28.8 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | 57.5 | 115.7 | 145.9 | 58.8 | 0 | 0 | 0 | 0 | 122 | | |
| 442 | S | 25.1 | Very low | 28.8 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | | | trans | 92.2 | 113.2 | 133.4 | -57.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 443 | P | 28.9 | Very low | 28.8 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | | | trans | -97.2 | 145.5 | 170.9 | 37.5 | -32.4 | 0 | 0 | 0 | 113.9 | | |
| 444 | R | 27.5 | Very low | 28.8 | Very low | 233 Ų | 233 | 142.5 Ų | 142.5 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | | | | 45.6 | 143.7 | 121.7 | -140.5 | -172.8 | -156.8 | -169 | 5.2 | 122.1 | | |
| 445 | I | 28.6 | Very low | 28.6 | Very low | 131 Ų | 131 | 141 Ų | 141 | 67% | 0.672 | 75% | 0.749 | S | S | * | * | | | trans | 96.4 | 106.1 | 157.1 | -52.6 | -179.5 | 0 | 0 | 0 | 116.7 | | |
| 446 | Q | 32.4 | Very low | 28.5 | Very low | 154 Ų | 154 | 143 Ų | 143 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | | | trans | 44.8 | 172.2 | 146.3 | -55.3 | -177.9 | -69 | 0 | 0 | 119.1 | | |
| 447 | P | 27.6 | Very low | 28.7 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | | | | -127.2 | 159.4 | 69.9 | 38.7 | -27.9 | 0 | 0 | 0 | 114.4 | | |
| 448 | D | 24.3 | Very low | 29.1 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | | | trans | -93.7 | 173.2 | 158.1 | -120.1 | -61.8 | 0 | 0 | 0 | 110 | | |
| 449 | Y | 33.6 | Very low | 29.1 | Very low | 221 Ų | 221 | 141 Ų | 141 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | | | trans | -61.9 | 150.5 | -179.3 | -79.4 | -94.1 | 0 | 0 | 0 | 114.3 | | |
| 450 | P | 37.5 | Very low | 29.3 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | | | | -149.2 | 177.8 | 112.9 | 35.5 | -18.3 | 0 | 0 | 0 | 114.6 | | |
| 451 | A | 31.4 | Very low | 29.4 | Very low | 91 Ų | 91 | 136.7 Ų | 136.7 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | cis | -176.6 | -164 | -32.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 452 | E | 28.4 | Very low | 29.4 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | | | trans | 94.1 | 131.9 | 178.1 | -59.8 | -128.3 | 124.5 | 0 | 0 | 116 | | |
| 453 | R | 29.7 | Very low | 29.5 | Very low | 207 Ų | 207 | 147.2 Ų | 147.2 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | | | cis | -142.9 | 147.5 | -11.1 | -100.5 | 170.2 | -167.5 | 169.1 | 18.9 | 107 | | |
| 454 | S | 25.1 | Very low | 29.4 | Very low | 110 Ų | 110 | 145.8 Ų | 145.8 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | | 162.9 | 143.2 | 83.3 | -170.7 | 0 | 0 | 0 | 0 | 106 | | |
| 455 | S | 26.3 | Very low | 29.5 | Very low | 88 Ų | 88 | 140.1 Ų | 140.1 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | | | cis | -159 | 154.5 | -2.3 | -102.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 456 | L | 33.2 | Very low | 30.1 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | | | trans | 45.9 | 140.8 | 139 | -52.4 | 173 | 0 | 0 | 0 | 120 | | |
| 457 | I | 30.7 | Very low | 30 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | cis | -153.2 | 163.3 | 12.3 | -122.7 | 154.9 | 0 | 0 | 0 | 109.5 | | |
| 458 | P | 34.3 | Very low | 30.5 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | | | trans | -129 | 177.5 | -145.9 | 44.7 | -32.3 | 0 | 0 | 0 | 118.5 | | |
| 459 | I | 28.3 | Very low | 30.7 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | | | trans | 45.5 | 124.6 | 161.5 | 4.4 | 168.4 | 0 | 0 | 0 | 121.9 | | |
| 460 | S | 27.2 | Very low | 30.6 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | | | | -173.9 | 157.8 | 121.4 | -152.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 461 | G | 28.9 | Very low | 30.2 | Very low | 63 Ų | 63 | 135.4 Ų | 135.4 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | | | cis | 176.8 | 156.1 | -3.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 462 | H | 29.2 | Very low | 30.2 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | | | trans | -75.5 | 141.4 | -175.9 | -52.5 | -101.9 | 0 | 0 | 0 | 113.4 | | |
| 463 | R | 26.4 | Very low | 30.2 | Very low | 257 Ų | 257 | 136.7 Ų | 136.7 | 97% | 0.97 | 78% | 0.779 | S | S | * | * | | | | -174.5 | -178 | 118 | -106.8 | -179 | 175.1 | -129.4 | -1.7 | 113.8 | | |
| 464 | A | 26.1 | Very low | 30.1 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | trans | -107 | 172.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 465 | S | 30.7 | Very low | 30.3 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | trans | -16 | 140.6 | 153.6 | -164 | 0 | 0 | 0 | 0 | 115.5 | | |
| 466 | P | 41.1 | Very low | 30.4 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | cis | -144.1 | 178.9 | 45 | 40.8 | -20.6 | 0 | 0 | 0 | 119.6 | | |
| 467 | N | 30.6 | Very low | 30.2 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -50.2 | 148.1 | 172.1 | -166.4 | 28.1 | 0 | 0 | 0 | 114 | | |
| 468 | P | 37.8 | Very low | 30 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | | -157.4 | 161.9 | 99 | 40.6 | -21.9 | 0 | 0 | 0 | 119.4 | | |
| 469 | V | 27.1 | Very low | 30.3 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | | | trans | 74.1 | 155 | 142.1 | 164.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 470 | A | 33.4 | Very low | 30.2 | Very low | 90 Ų | 90 | 137.2 Ų | 137.2 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | | | trans | -121.2 | 174.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 471 | M | 28 | Very low | 30.2 | Very low | 182 Ų | 182 | 137.7 Ų | 137.7 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | | | trans | -142.1 | 155.9 | 175.6 | -93.5 | -67.1 | -71.6 | 0 | 0 | 113 | | |
| 472 | E | 31.4 | Very low | 31.1 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 62% | 0.621 | 77% | 0.77 | S | S | * | * | | | trans | -79.8 | 158.2 | -176.7 | -77.1 | 178.2 | 58.5 | 0 | 0 | 115.7 | R474 | E472-R474 IonicContact OE1-NH1 2.67Å; E472-R474 PolarHBondContact OE1-NH1 3.42Å |
| 473 | T | 29.5 | Very low | 31.1 | Very low | 134 Ų | 134 | 136 Ų | 136 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | | | | -162.8 | 117.4 | 112 | 32.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 474 | R | 27.4 | Very low | 31.2 | Very low | 195 Ų | 195 | 131 Ų | 131 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | | | | 53.2 | 104.5 | 86.9 | -91.5 | -175.8 | 156.8 | 96.7 | -9.3 | 114 | E472 | E472-R474 IonicContact OE1-NH1 2.67Å; E472-R474 PolarHBondContact OE1-NH1 3.42Å |
| 475 | S | 29.5 | Very low | 31.3 | Very low | 92 Ų | 92 | 133 Ų | 133 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | | | | 91.2 | 153.5 | 76 | 85.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 476 | D | 27.7 | Very low | 31.2 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | | | cis | -158.5 | 163.5 | 16.2 | -101 | -56.5 | 0 | 0 | 0 | 109.8 | | |
| 477 | N | 28 | Very low | 30.7 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 68% | 0.679 | 72% | 0.722 | S | S | * | * | | | cis | -152.4 | -67.1 | -13.3 | -161.8 | -85.1 | 0 | 0 | 0 | 115 | | |
| 478 | R | 28.2 | Very low | 30.6 | Very low | 224 Ų | 224 | 132 Ų | 132 | 85% | 0.845 | 70% | 0.702 | S | S | * | * | | | trans | -163.1 | 178 | -158.4 | -101.2 | -178 | 171.5 | -163.8 | -2.4 | 114.3 | | |
| 479 | P | 40.1 | Very low | 30.3 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 75% | 0.747 | 70% | 0.704 | S | S | * | * | | | cis | -117.7 | -149 | 13.4 | 23.6 | 3.3 | 0 | 0 | 0 | 113.3 | | |
| 480 | S | 26.8 | Very low | 31.7 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 72% | 0.72 | 69% | 0.686 | S | S | * | * | | | cis | -156.4 | -178.6 | 18.7 | -59.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 481 | V | 26.4 | Very low | 31.4 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 84% | 0.836 | 67% | 0.671 | S | S | * | * | | | trans | -160.3 | -174.9 | -177 | -120.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 482 | P | 46.9 | Very low | 31.5 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 68% | 0.682 | 67% | 0.665 | S | S | * | * | | | cis | -140.6 | -165.2 | -17.5 | 27.9 | -0.9 | 0 | 0 | 0 | 116.2 | | |
| 483 | V | 29.3 | Very low | 32.6 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 70% | 0.697 | 65% | 0.652 | S | S | * | * | | | trans | 66.2 | 161.2 | 157 | -87 | 0 | 0 | 0 | 0 | 120.9 | | |
| 484 | Q | 28.4 | Very low | 33.1 | Very low | 153 Ų | 153 | 123.6 Ų | 123.6 | 72% | 0.715 | 64% | 0.636 | S | S | * | * | | | cis | -154.5 | 153.1 | 12.5 | -147 | 145.4 | 13.3 | 0 | 0 | 117.1 | | |
| 485 | F | 28.7 | Very low | 33.3 | Very low | 135 Ų | 135 | 119.3 Ų | 119.3 | 59% | 0.592 | 64% | 0.636 | S | S | * | * | | | trans | 10.1 | 164 | 158.8 | -59.4 | -46.5 | 0 | 0 | 0 | 125.1 | Y487 | F485-Y487 HydrophobicContact CD1-CD2 4.45Å; F485-Y487 AromaticContact CD1-CE2 3.75Å; F485-Y487 HydrophobicContact CD1-CE2 3.75Å; F485-Y487 HydrophobicContact CE1-CE2 4.05Å; F485-Y487 HydrophobicContact CG-CE2 4.21Å |
| 486 | Q | 28.8 | Very low | 33.2 | Very low | 131 Ų | 131 | 119.6 Ų | 119.6 | 61% | 0.612 | 64% | 0.644 | S | S | * | * | | | cis | -162.5 | 102.5 | 41.1 | -167.2 | 89.9 | 29.3 | 0 | 0 | 119.1 | | |
| 487 | Y | 31.3 | Very low | 33 | Very low | 144 Ų | 144 | 123.5 Ų | 123.5 | 57% | 0.565 | 65% | 0.651 | S | S | * | * | | | trans | 75 | -149.4 | 142 | -69.2 | -83.6 | 0 | 0 | 0 | 125.9 | F485 | F485-Y487 HydrophobicContact CD1-CD2 4.45Å; F485-Y487 AromaticContact CD1-CE2 3.75Å; F485-Y487 HydrophobicContact CD1-CE2 3.75Å; F485-Y487 HydrophobicContact CE1-CE2 4.05Å; F485-Y487 HydrophobicContact CG-CE2 4.21Å |
| 488 | F | 28.3 | Very low | 33.7 | Very low | 81 Ų | 81 | 122.4 Ų | 122.4 | 36% | 0.355 | 65% | 0.65 | S | S | . | * | | | | -127.2 | -178 | -125.4 | 74.6 | 75 | 0 | 0 | 0 | 121.9 | A627 T628 I629 | F488-A627 WeakPolarHBondContact O-CB 3.36Å; F488-T628 CarbonylContact O-C 3.2Å; F488-T628 WeakPolarHBondContact O-CA 3.25Å; F488-T628 PolarHBondContact O-N 3.38Å; F488-I629 HydrophobicContact CB-CD1 3.5Å; F488-I629 HydrophobicContact CB-CG1 3.71Å; F488-I629 HydrophobicContact CD1-CB 3.25Å; F488-I629 HydrophobicContact CD1-CD1 2.3Å; F488-I629 HydrophobicContact CD1-CG1 2.3Å; F488-I629 HydrophobicContact CD1-CG2 4.33Å; F488-I629 HydrophobicContact CD2-CB 3.9Å; F488-I629 HydrophobicContact CD2-CD1 2.31Å; F488-I629 HydrophobicContact CD2-CG1 2.31Å; F488-I629 HydrophobicContact CE1-CB 2.76Å; F488-I629 HydrophobicContact CE1-CD1 2.3Å; F488-I629 HydrophobicContact CE1-CG1 2.31Å; F488-I629 HydrophobicContact CE1-CG2 3.25Å; F488-I629 HydrophobicContact CE2-CB 3.51Å; F488-I629 HydrophobicContact CE2-CD1 2.3Å; F488-I629 HydrophobicContact CE2-CG1 2.32Å; F488-I629 HydrophobicContact CE2-CG2 3.69Å; F488-I629 HydrophobicContact CG-CB 3.81Å; F488-I629 HydrophobicContact CG-CD1 2.3Å; F488-I629 HydrophobicContact CG-CG1 2.33Å; F488-I629 HydrophobicContact CZ-CB 2.91Å; F488-I629 HydrophobicContact CZ-CD1 2.3Å; F488-I629 HydrophobicContact CZ-CG1 2.31Å; F488-I629 HydrophobicContact CZ-CG2 2.82Å; F488-I629 PolarHBondContact O-N 3Å |
| 489 | L | 31.1 | Very low | 34 | Very low | 139 Ų | 139 | 119.4 Ų | 119.4 | 73% | 0.728 | 65% | 0.65 | S | S | * | * | | | trans | -84.5 | -132.4 | -174 | -65.9 | 66.1 | 0 | 0 | 0 | 113.8 | I629 | L489-I629 VanDerWaalsContact O-CA 3.3Å; L489-I629 WeakPolarHBondContact O-CA 3.39Å; L489-I629 PolarHBondContact O-N 3.06Å |
| 490 | P | 56.5 | Low | 33.5 | Very low | 70 Ų | 70 | 118.4 Ų | 118.4 | 46% | 0.455 | 65% | 0.652 | S | S | . | * | | | cis | -138 | -177.2 | -29.6 | 42.6 | -24.7 | 0 | 0 | 0 | 116.4 | | |
| 491 | T | 27.6 | Very low | 33.5 | Very low | 72 Ų | 72 | 117.7 Ų | 117.7 | 44% | 0.442 | 65% | 0.652 | S | S | . | * | | | trans | 175.7 | 156.4 | 130.8 | -86.5 | 0 | 0 | 0 | 0 | 114.7 | A631 N632 | T491-A631 VanDerWaalsContact CB-O 3.26Å; T491-A631 WeakPolarHBondContact CB-O 3.44Å; T491-A631 PolarHBondContact OG1-O 3.05Å; T491-N632 WeakPolarHBondContact OG1-CA 3.36Å; T491-N632 PolarHBondContact OG1-N 2.82Å; T491-N632 PolarHBondContact OG1-OD1 3.04Å |
| 492 | Y | 28.8 | Very low | 33.6 | Very low | 194 Ų | 194 | 120 Ų | 120 | 76% | 0.761 | 65% | 0.653 | S | S | * | * | | | trans | -152.5 | -141.5 | -161.8 | -142.5 | -29.3 | 0 | 0 | 0 | 115.9 | | |
| 493 | P | 56.2 | Low | 32.5 | Very low | 55 Ų | 55 | 121.5 Ų | 121.5 | 36% | 0.357 | 66% | 0.661 | S | S | . | * | | | trans | -83.7 | -127 | -139.1 | 43.7 | -43.6 | 0 | 0 | 0 | 118.2 | I634 | P493-I634 CarbonylContact C-O 3.58Š|
| 494 | P | 39.3 | Very low | 32.4 | Very low | 75 Ų | 75 | 126.3 Ų | 126.3 | 49% | 0.487 | 67% | 0.668 | S | S | . | * | | | cis | -93 | -178.6 | 4.3 | 41.5 | -38.2 | 0 | 0 | 0 | 114.1 | I634 | P494-I634 WeakPolarHBondContact CD-O 3.22Å; P494-I634 HydrophobicContact CG-CG2 4.22Å |
| 495 | S | 30.6 | Very low | 32.7 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 74% | 0.741 | 67% | 0.666 | S | S | * | * | | | cis | 100.1 | 121.3 | 4.9 | -156.5 | 0 | 0 | 0 | 0 | 119.1 | | |
| 496 | A | 28.8 | Very low | 33.3 | Very low | 98 Ų | 98 | 122.9 Ų | 122.9 | 81% | 0.81 | 67% | 0.671 | S | S | * | * | | | trans | -161.9 | 162 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 497 | Y | 23.7 | Very low | 33.4 | Very low | 214 Ų | 214 | 123.3 Ų | 123.3 | 84% | 0.839 | 68% | 0.676 | S | S | * | * | | | trans | -130.3 | -169.3 | -174.3 | -119 | -120.4 | 0 | 0 | 0 | 110 | | |
| 498 | P | 42.5 | Very low | 33.4 | Very low | 103 Ų | 103 | 122.8 Ų | 122.8 | 67% | 0.669 | 69% | 0.688 | S | S | * | * | | | cis | -141.2 | 157.5 | 7.5 | 38.4 | -17.3 | 0 | 0 | 0 | 120.6 | | |
| 499 | L | 33.1 | Very low | 33.3 | Very low | 162 Ų | 162 | 123.7 Ų | 123.7 | 85% | 0.848 | 70% | 0.704 | S | S | * | * | | | trans | 61.8 | 178.6 | 153.9 | -63.9 | 170.7 | 0 | 0 | 0 | 117.3 | | |
| 500 | A | 30.6 | Very low | 33.3 | Very low | 94 Ų | 94 | 122 Ų | 122 | 78% | 0.777 | 70% | 0.704 | S | S | * | * | | | cis | -138.2 | -152.6 | 3.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 501 | A | 27 | Very low | 31.9 | Very low | 87 Ų | 87 | 125.3 Ų | 125.3 | 72% | 0.719 | 72% | 0.722 | S | S | * | * | | | cis | -161.2 | -174.7 | 3.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 502 | H | 28.1 | Very low | 31.9 | Very low | 186 Ų | 186 | 127.5 Ų | 127.5 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | | | trans | -142.8 | 144.2 | 176.8 | -57.7 | -42.3 | 0 | 0 | 0 | 115.6 | | |
| 503 | T | 24.5 | Very low | 32.1 | Very low | 138 Ų | 138 | 124.5 Ų | 124.5 | 85% | 0.847 | 74% | 0.743 | S | S | * | * | | | | 171.9 | 120.6 | 125.2 | -72.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 504 | Y | 26.2 | Very low | 31 | Very low | 216 Ų | 216 | 129.4 Ų | 129.4 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | | | trans | 37.2 | 158.3 | 152.2 | -112.3 | -104.5 | 0 | 0 | 0 | 126.3 | | |
| 505 | T | 34.5 | Very low | 30.5 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | | | trans | -103.5 | -173 | -175.4 | 58.3 | 0 | 0 | 0 | 0 | 111 | | |
| 506 | P | 42 | Very low | 30.1 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | | | cis | -152.8 | -173.3 | 17.1 | 34.4 | -6.3 | 0 | 0 | 0 | 120.5 | | |
| 507 | I | 31.2 | Very low | 29.8 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | | | trans | 92.2 | 88.7 | 153.5 | -44.8 | -166.7 | 0 | 0 | 0 | 122 | | |
| 508 | T | 30.3 | Very low | 30.1 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | | | trans | 65.9 | 160 | 142.7 | 74.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 509 | S | 26.7 | Very low | 29.2 | Very low | 100 Ų | 100 | 140.4 Ų | 140.4 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | | | cis | -151.5 | 145.4 | 11.8 | 62.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 510 | S | 30.8 | Very low | 28.8 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | | | trans | 66.3 | 117.6 | 143.9 | 64.1 | 0 | 0 | 0 | 0 | 124.6 | | |
| 511 | V | 27.6 | Very low | 28.5 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | | | trans | 77.7 | 119.3 | 142.6 | 179.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 512 | S | 28.2 | Very low | 28.4 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -168.9 | -176.9 | 152.2 | -86.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 513 | T | 33 | Very low | 28.4 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | | | trans | -134.4 | 172.2 | -176 | 54 | 0 | 0 | 0 | 0 | 109.9 | | |
| 514 | I | 31.9 | Very low | 28.5 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | | | cis | -146.7 | -141.1 | 21.5 | -159.1 | 160 | 0 | 0 | 0 | 112.3 | | |
| 515 | R | 29.5 | Very low | 28.6 | Very low | 211 Ų | 211 | 134.1 Ų | 134.1 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | | | trans | -84.5 | 152.8 | 175.3 | -68 | 173.4 | 172.3 | -96.6 | -0.1 | 109.6 | | |
| 516 | Q | 23 | Very low | 28.1 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | | -151.7 | 150.1 | 55.1 | -68 | -177.2 | 5.3 | 0 | 0 | 114.1 | | |
| 517 | Y | 21.2 | Very low | 27.5 | Very low | 198 Ų | 198 | 134.2 Ų | 134.2 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | 35.6 | 156.6 | 155.3 | -55.4 | -61.7 | 0 | 0 | 0 | 122.8 | | |
| 518 | P | 30.3 | Very low | 27.3 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | cis | -121.5 | 172 | -14.1 | 40.1 | -27.5 | 0 | 0 | 0 | 113.2 | | |
| 519 | V | 23.9 | Very low | 27.1 | Very low | 146 Ų | 146 | 135 Ų | 135 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | | | trans | -140.5 | 127.9 | 154 | 175.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 520 | S | 25.6 | Very low | 27.2 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | trans | -132.3 | 149.9 | 172.4 | -70.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 521 | A | 23.9 | Very low | 27 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | | | trans | 63 | 91.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 522 | Q | 23.7 | Very low | 27 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | | 77.8 | 136.5 | 101.6 | -167.1 | 152.2 | -62.4 | 0 | 0 | 122.8 | | |
| 523 | A | 28.5 | Very low | 27.1 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | | | trans | 72.9 | 154 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 524 | P | 27.3 | Very low | 27 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | | -106.5 | 145.9 | 52.3 | 36.1 | -35.5 | 0 | 0 | 0 | 115.6 | | |
| 525 | N | 27.2 | Very low | 26.9 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | trans | -130.4 | 130.3 | 160.2 | -139.7 | 22.2 | 0 | 0 | 0 | 105.9 | | |
| 526 | S | 25.2 | Very low | 27 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | | | trans | -141.6 | 122 | 169.1 | -74.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 527 | A | 28.3 | Very low | 27.3 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | trans | -136.2 | 155.8 | -162.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 528 | I | 28.1 | Very low | 27.7 | Very low | 163 Ų | 163 | 121.3 Ų | 121.3 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | | | trans | -154.2 | 142.4 | -179.7 | -69.9 | -178.7 | 0 | 0 | 0 | 105.7 | | |
| 529 | T | 26.1 | Very low | 27.9 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | cis | -171.8 | 138.5 | -15.8 | -87 | 0 | 0 | 0 | 0 | 105 | | |
| 530 | A | 27.6 | Very low | 28.3 | Very low | 82 Ų | 82 | 121.3 Ų | 121.3 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | | | cis | -148 | 176.5 | 7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 531 | Q | 26.5 | Very low | 28.7 | Very low | 181 Ų | 181 | 124.2 Ų | 124.2 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | 4.2 | 143.7 | 137.3 | -64.7 | -172.7 | -1.1 | 0 | 0 | 120.5 | | |
| 532 | T | 29.4 | Very low | 29.4 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | cis | -162.8 | 137.7 | -9.7 | -76.2 | 0 | 0 | 0 | 0 | 111 | | |
| 533 | G | 29.2 | Very low | 29.9 | Very low | 67 Ų | 67 | 124.4 Ų | 124.4 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | | | trans | 85.4 | 148.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 534 | V | 30.1 | Very low | 30.3 | Very low | 154 Ų | 154 | 125.7 Ų | 125.7 | 93% | 0.933 | 79% | 0.788 | S | S | * | * | | | cis | -147.3 | 148.5 | -4.7 | 176.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 535 | G | 31.6 | Very low | 31 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | 101.3 | 117 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 536 | V | 31.3 | Very low | 31.6 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 87% | 0.873 | 79% | 0.793 | S | S | * | * | | | trans | -118.2 | 120.3 | -175.2 | -168.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 537 | A | 28.9 | Very low | 32.1 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -112.3 | 109.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | T539 | A537-T539 PolarHBondContact O-N 3.34Š|
| 538 | S | 30.2 | Very low | 32.5 | Very low | 112 Ų | 112 | 135 Ų | 135 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | trans | -87 | 109.3 | -174 | -164.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 539 | T | 33.3 | Very low | 33 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -84.1 | 114.4 | 177.5 | 53.9 | 0 | 0 | 0 | 0 | 111 | A537 H541 | A537-T539 PolarHBondContact O-N 3.34Å; T539-H541 PolarHBondContact O-N 2.73Å; T539-H541 VanDerWaalsContact O-N 3.12Å |
| 540 | V | 32.2 | Very low | 33.8 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | | | trans | -71.9 | 105.6 | 176.7 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | L542 | V540-L542 HydrophobicContact CG1-CD2 4.33Å; V540-L542 HydrophobicContact CG1-CG 4.5Å; V540-L542 PolarHBondContact O-N 2.79Å; V540-L542 VanDerWaalsContact O-N 3.08Å |
| 541 | H | 33.4 | Very low | 33.9 | Very low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | | | trans | -73.3 | 95.6 | 177.1 | 176.4 | -74.3 | 0 | 0 | 0 | 111.1 | T539 | T539-H541 PolarHBondContact O-N 2.73Å; T539-H541 VanDerWaalsContact O-N 3.12Å |
| 542 | L | 38.9 | Very low | 34.4 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | | | trans | -77.2 | 127.9 | 172.9 | -69.3 | 176.1 | 0 | 0 | 0 | 111.5 | V540 | V540-L542 HydrophobicContact CG1-CD2 4.33Å; V540-L542 HydrophobicContact CG1-CG 4.5Å; V540-L542 PolarHBondContact O-N 2.79Å; V540-L542 VanDerWaalsContact O-N 3.08Å |
| 543 | N | 34.1 | Very low | 34.6 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | trans | -73.2 | 127.8 | 176.7 | -173.6 | 1 | 0 | 0 | 0 | 110.2 | M545 | N543-M545 PolarHBondContact O-N 3.49Š|
| 544 | P | 37.9 | Very low | 35.1 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | | | trans | -68.3 | 94.9 | -178 | 26.8 | -35.7 | 0 | 0 | 0 | 112.7 | Q546 | P544-Q546 PolarHBondContact O-N 3.27Š|
| 545 | M | 42 | Very low | 35.4 | Very low | 180 Ų | 180 | 131.2 Ų | 131.2 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | | | trans | -53.6 | 132.6 | 163.2 | -90.4 | -81.4 | -76.3 | 0 | 0 | 110.4 | N543 L547 | N543-M545 PolarHBondContact O-N 3.49Å; M545-L547 PolarHBondContact O-N 3.15Å; M545-L547 VanDerWaalsContact O-N 3.15Å |
| 546 | Q | 39.1 | Very low | 35.5 | Very low | 183 Ų | 183 | 138.9 Ų | 138.9 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | | | trans | -64 | 115.7 | -174.3 | -69.5 | 176.3 | -12.8 | 0 | 0 | 111.4 | P544 M548 | P544-Q546 PolarHBondContact O-N 3.27Å; Q546-M548 PolarHBondContact O-N 3.09Å |
| 547 | L | 36.6 | Very low | 35.4 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | | | trans | -63.5 | 117.2 | 174.7 | -176.3 | 68.5 | 0 | 0 | 0 | 109.7 | M545 T549 | M545-L547 PolarHBondContact O-N 3.15Å; M545-L547 VanDerWaalsContact O-N 3.15Å; L547-T549 PolarHBondContact O-N 2.98Å |
| 548 | M | 36.7 | Very low | 35.5 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | | | trans | -64.1 | 121.7 | 170 | -68.4 | -159.6 | 87.1 | 0 | 0 | 109.1 | Q546 V550 | Q546-M548 PolarHBondContact O-N 3.09Å; M548-V550 PolarHBondContact O-N 2.97Å; M548-V550 VanDerWaalsContact O-N 3.12Å |
| 549 | T | 38.5 | Very low | 35.5 | Very low | 143 Ų | 143 | 145.7 Ų | 145.7 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | | | trans | -62.5 | 112.8 | -179.1 | 43.6 | 0 | 0 | 0 | 0 | 111.1 | L547 | L547-T549 PolarHBondContact O-N 2.98Š|
| 550 | V | 43.1 | Very low | 35.2 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | trans | -92.9 | 131.3 | 163.6 | -178.2 | 0 | 0 | 0 | 0 | 107.4 | M548 A552 | M548-V550 PolarHBondContact O-N 2.97Å; M548-V550 VanDerWaalsContact O-N 3.12Å; V550-A552 PolarHBondContact O-N 3.22Å |
| 551 | D | 29.3 | Very low | 35.1 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 65% | 0.647 | 78% | 0.783 | S | S | * | * | | | trans | -61.1 | 120.2 | 175.9 | 172 | 30.5 | 0 | 0 | 0 | 110.7 | S553 | D551-S553 VanDerWaalsContact OD1-CB 3.22Å; D551-S553 WeakPolarHBondContact OD1-CB 3.45Å; D551-S553 PolarHBondContact OD1-N 2.79Å; D551-S553 PolarHBondContact OD1-OG 2.93Å; D551-S553 PolarHBondContact OD2-OG 3.29Å |
| 552 | A | 37.3 | Very low | 35.1 | Very low | 96 Ų | 96 | 144.7 Ų | 144.7 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | | | trans | -108 | 27 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V550 | V550-A552 PolarHBondContact O-N 3.22Š|
| 553 | S | 33.2 | Very low | 34.6 | Very low | 75 Ų | 75 | 143.2 Ų | 143.2 | 52% | 0.524 | 78% | 0.779 | S | S | . | * | | | trans | -91.3 | 0.2 | -167.7 | 58.7 | 0 | 0 | 0 | 0 | 116.7 | D551 | D551-S553 VanDerWaalsContact OD1-CB 3.22Å; D551-S553 WeakPolarHBondContact OD1-CB 3.45Å; D551-S553 PolarHBondContact OD1-N 2.79Å; D551-S553 PolarHBondContact OD1-OG 2.93Å; D551-S553 PolarHBondContact OD2-OG 3.29Å |
| 554 | H | 40.6 | Very low | 34.3 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -121.5 | 11.9 | -167.8 | -73.9 | 85.2 | 0 | 0 | 0 | 116.4 | | |
| 555 | A | 35.2 | Very low | 34.3 | Very low | 88 Ų | 88 | 141.4 Ų | 141.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -123 | 39.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 556 | R | 33.4 | Very low | 33.6 | Very low | 232 Ų | 232 | 141 Ų | 141 | 88% | 0.875 | 78% | 0.782 | S | S | * | * | | | trans | -141.8 | 86.5 | 174.1 | -66.9 | -65.2 | -101.8 | 169.2 | -4.9 | 113.8 | | |
| 557 | H | 29.7 | Very low | 32.9 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | | | trans | -150.1 | 159.4 | 152.6 | -160.5 | -110.8 | 0 | 0 | 0 | 110.8 | | |
| 558 | I | 31.9 | Very low | 32.9 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | | | trans | 63.6 | 94.7 | -174.8 | -46.2 | -62.5 | 0 | 0 | 0 | 115.1 | | |
| 559 | Q | 29.2 | Very low | 32.4 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | trans | -151.3 | 131.2 | 143 | -165.7 | 172.8 | 17.1 | 0 | 0 | 108.1 | | |
| 560 | G | 27.9 | Very low | 32.1 | Very low | 71 Ų | 71 | 133.6 Ų | 133.6 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | | | trans | 163.9 | 81.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 561 | I | 30.2 | Very low | 31.4 | Very low | 176 Ų | 176 | 136.1 Ų | 136.1 | 90% | 0.903 | 78% | 0.778 | S | S | * | * | | | trans | -138.1 | 147 | 142.2 | -61.2 | -173.9 | 0 | 0 | 0 | 106 | | |
| 562 | Q | 31.7 | Very low | 31.3 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 73% | 0.729 | 78% | 0.784 | S | S | * | * | | | trans | -134.8 | 151.3 | 178 | -169.7 | -123.2 | 64.1 | 0 | 0 | 109.4 | | |
| 563 | P | 28.5 | Very low | 31 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | -123.3 | 158.1 | 155 | 36.5 | -26 | 0 | 0 | 0 | 113.4 | | |
| 564 | A | 28.7 | Very low | 30.7 | Very low | 85 Ų | 85 | 140.3 Ų | 140.3 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | | | trans | -100.6 | 169.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 565 | P | 38.7 | Very low | 30.5 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | trans | -98.6 | 158.2 | -164.5 | 38 | -35 | 0 | 0 | 0 | 115 | | |
| 566 | I | 26.6 | Very low | 30.2 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | | | trans | -136.9 | 146.2 | 164.7 | -62.4 | -175.6 | 0 | 0 | 0 | 111.5 | | |
| 567 | S | 24.3 | Very low | 29.9 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -34.6 | 154.9 | 179.9 | -158.4 | 0 | 0 | 0 | 0 | 119.9 | | |
| 568 | T | 35.2 | Very low | 30.1 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | | | trans | -79.3 | 152.7 | 156.4 | 50.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 569 | Q | 28.1 | Very low | 30.5 | Very low | 198 Ų | 198 | 131.6 Ų | 131.6 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | | | trans | 179 | 137.3 | 136.4 | -103.3 | -179.2 | 20.1 | 0 | 0 | 112 | | |
| 570 | G | 30.9 | Very low | 30.3 | Very low | 70 Ų | 70 | 126.4 Ų | 126.4 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | | | trans | 105 | 147.9 | 147.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 571 | I | 28.6 | Very low | 30.3 | Very low | 178 Ų | 178 | 131.9 Ų | 131.9 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | | | trans | 83.3 | 133.1 | 159.6 | -52.3 | 172.1 | 0 | 0 | 0 | 117.1 | | |
| 572 | Q | 27.8 | Very low | 30.2 | Very low | 166 Ų | 166 | 131.6 Ų | 131.6 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -87.1 | 159.5 | -179 | -60.7 | 178.1 | 7.1 | 0 | 0 | 112.5 | | |
| 573 | P | 31 | Very low | 30.4 | Very low | 130 Ų | 130 | 130 Ų | 130 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | | | trans | -75.5 | 126.7 | 159.1 | 32 | -31.8 | 0 | 0 | 0 | 110.9 | | |
| 574 | A | 27 | Very low | 30.4 | Very low | 85 Ų | 85 | 128.1 Ų | 128.1 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | | | trans | -128.1 | 142.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 575 | P | 36 | Very low | 31.3 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | | | trans | -84.1 | 157.9 | -173.6 | 34.2 | -36.1 | 0 | 0 | 0 | 113.1 | | |
| 576 | I | 29 | Very low | 30.7 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | | | trans | -128.9 | 137.2 | 168.8 | -62.3 | 178.1 | 0 | 0 | 0 | 108.6 | | |
| 577 | G | 27.2 | Very low | 30.8 | Very low | 60 Ų | 60 | 127.2 Ų | 127.2 | 62% | 0.619 | 79% | 0.791 | S | S | * | * | | | trans | -165.2 | 177.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 578 | T | 32.5 | Very low | 31.2 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | | | trans | 169.1 | 164.8 | 163 | 29.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 579 | P | 40.8 | Very low | 30.9 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | cis | -119.7 | 175.9 | -21.7 | 33.7 | -17 | 0 | 0 | 0 | 111.5 | | |
| 580 | G | 26.1 | Very low | 31 | Very low | 62 Ų | 62 | 125.4 Ų | 125.4 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | | | cis | 170.6 | -152.5 | -1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 581 | I | 27.8 | Very low | 30.9 | Very low | 185 Ų | 185 | 128.6 Ų | 128.6 | 95% | 0.949 | 79% | 0.789 | S | S | * | * | | | trans | 88.4 | 136.3 | -177.6 | -53.8 | -179.8 | 0 | 0 | 0 | 115.2 | | |
| 582 | Q | 27.1 | Very low | 30.9 | Very low | 170 Ų | 170 | 127.3 Ų | 127.3 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | | | trans | -101.3 | 178.7 | -172.8 | -118.6 | -173.5 | -0.5 | 0 | 0 | 111 | | |
| 583 | P | 36.7 | Very low | 30.8 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | cis | -125.2 | -167.3 | 31.7 | 14.6 | 12.8 | 0 | 0 | 0 | 112.6 | | |
| 584 | A | 28.2 | Very low | 30.5 | Very low | 81 Ų | 81 | 123.5 Ų | 123.5 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | | | cis | 174.5 | 160.9 | -29.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 585 | P | 47.6 | Very low | 30.5 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | -125.8 | 167.7 | -147.1 | 42.6 | -32.1 | 0 | 0 | 0 | 118 | | |
| 586 | L | 26.5 | Very low | 31.1 | Very low | 183 Ų | 183 | 124.8 Ų | 124.8 | 96% | 0.958 | 78% | 0.779 | S | S | * | * | | | trans | 175.2 | 147.6 | 151.6 | -95.3 | 153 | 0 | 0 | 0 | 108.8 | | |
| 587 | G | 29.1 | Very low | 30.9 | Very low | 58 Ų | 58 | 124 Ų | 124 | 60% | 0.598 | 77% | 0.774 | S | S | * | * | | | cis | -179.5 | 139.4 | -12 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 588 | T | 31.9 | Very low | 30.8 | Very low | 132 Ų | 132 | 127.3 Ų | 127.3 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | 53.9 | 124.3 | 149.6 | 52.2 | 0 | 0 | 0 | 0 | 124.8 | | |
| 589 | Q | 29.9 | Very low | 30.8 | Very low | 190 Ų | 190 | 125.7 Ų | 125.7 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | | | trans | 70.4 | 146.7 | 134.8 | -58 | -74.1 | 26.9 | 0 | 0 | 121.6 | | |
| 590 | G | 28.5 | Very low | 30.2 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | trans | 161.3 | 144.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 591 | I | 28.5 | Very low | 30.3 | Very low | 138 Ų | 138 | 128.3 Ų | 128.3 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | | | trans | -140.4 | 152.2 | -174.5 | -27.5 | 177.1 | 0 | 0 | 0 | 112 | | |
| 592 | H | 29 | Very low | 30.4 | Very low | 151 Ų | 151 | 126.9 Ų | 126.9 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | trans | 50.6 | 114.7 | 155.4 | 48.5 | -137.8 | 0 | 0 | 0 | 123.3 | | |
| 593 | S | 25.4 | Very low | 30.3 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | | 77.7 | 143.5 | 128.2 | 69.4 | 0 | 0 | 0 | 0 | 123.8 | | |
| 594 | A | 25.5 | Very low | 30.6 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | | | trans | 86 | 149.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 595 | T | 26.4 | Very low | 30.6 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | trans | -106.6 | -172 | 179.8 | 55.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 596 | P | 48.8 | Very low | 30.2 | Very low | 108 Ų | 108 | 127 Ų | 127 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | cis | -130.3 | -138.4 | -6.5 | 39 | -17.5 | 0 | 0 | 0 | 112.6 | | |
| 597 | I | 26.5 | Very low | 30.4 | Very low | 160 Ų | 160 | 126.4 Ų | 126.4 | 82% | 0.821 | 76% | 0.761 | S | S | * | * | | | trans | 96.5 | 141.8 | 167.5 | -59.6 | 167.4 | 0 | 0 | 0 | 116.7 | | |
| 598 | N | 25 | Very low | 30.3 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | cis | -164.7 | 156.7 | -35.4 | -162.5 | 22.6 | 0 | 0 | 0 | 113 | | |
| 599 | T | 31.7 | Very low | 30.2 | Very low | 106 Ų | 106 | 127 Ų | 127 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | trans | 11.9 | 134.2 | 163 | 49.9 | 0 | 0 | 0 | 0 | 124.8 | | |
| 600 | Q | 28.6 | Very low | 30 | Very low | 176 Ų | 176 | 127.3 Ų | 127.3 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | | -119.4 | -170.2 | 96.8 | -58.6 | -166.8 | 7.1 | 0 | 0 | 107.9 | | |
| 601 | G | 27.3 | Very low | 29.9 | Very low | 67 Ų | 67 | 131.5 Ų | 131.5 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | cis | 157.9 | 166.1 | 5.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 602 | L | 29.5 | Very low | 30.5 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | | | cis | -148.9 | -159.5 | -6.2 | -65.2 | 178.3 | 0 | 0 | 0 | 108.5 | | |
| 603 | Q | 26.3 | Very low | 30.4 | Very low | 184 Ų | 184 | 131.3 Ų | 131.3 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | | | trans | -154.7 | 179.8 | 179.6 | -111.1 | -155.6 | 12.7 | 0 | 0 | 111.1 | | |
| 604 | P | 41.5 | Very low | 31.4 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | cis | -133.5 | -167.7 | 8.9 | 41.5 | -22.2 | 0 | 0 | 0 | 116.3 | | |
| 605 | A | 29 | Very low | 31.5 | Very low | 87 Ų | 87 | 133.6 Ų | 133.6 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | | | trans | -110.6 | -178.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 606 | P | 40.5 | Very low | 31.7 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | | | | -161.4 | -178.4 | 69.1 | 44.2 | -21.7 | 0 | 0 | 0 | 119.2 | | |
| 607 | I | 29.3 | Very low | 30.7 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | | | trans | 47.2 | 142.3 | 145.3 | -66 | 158.8 | 0 | 0 | 0 | 121.2 | | |
| 608 | G | 28 | Very low | 30.9 | Very low | 60 Ų | 60 | 133.1 Ų | 133.1 | 62% | 0.619 | 76% | 0.763 | S | S | * | * | | | cis | 163.5 | 162.7 | -6.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 609 | T | 29.8 | Very low | 31 | Very low | 141 Ų | 141 | 132 Ų | 132 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | | | trans | 54.9 | 127.2 | 161.6 | 58.9 | 0 | 0 | 0 | 0 | 123.7 | | |
| 610 | Q | 25.2 | Very low | 30.8 | Very low | 197 Ų | 197 | 131.6 Ų | 131.6 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | | | | -174.2 | 165.1 | 108.9 | -144.9 | 167.1 | 112.5 | 0 | 0 | 113.9 | | |
| 611 | Q | 26.1 | Very low | 30.9 | Very low | 158 Ų | 158 | 130.1 Ų | 130.1 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | trans | -96.1 | 176 | 170.5 | -129.8 | -171.7 | -48 | 0 | 0 | 110.4 | | |
| 612 | P | 40.6 | Very low | 31 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | | | | -143.2 | -168.1 | 51.5 | 38.4 | -15.4 | 0 | 0 | 0 | 116.6 | | |
| 613 | Q | 26.6 | Very low | 31.4 | Very low | 161 Ų | 161 | 133 Ų | 133 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | -100.5 | -178.8 | 177.1 | -134.8 | -164 | -16 | 0 | 0 | 110.9 | | |
| 614 | P | 46.4 | Very low | 31.5 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | | | | -148 | 171.4 | 51 | 40.6 | -18.8 | 0 | 0 | 0 | 119.3 | | |
| 615 | E | 27.8 | Very low | 30.7 | Very low | 160 Ų | 160 | 132 Ų | 132 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | trans | 54.3 | 143.7 | 149.6 | -72.1 | 177.3 | -148.4 | 0 | 0 | 124 | | |
| 616 | G | 30.4 | Very low | 30.7 | Very low | 63 Ų | 63 | 130.5 Ų | 130.5 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | cis | 164 | 171.2 | -9.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 617 | K | 29.3 | Very low | 30.2 | Very low | 190 Ų | 190 | 128.2 Ų | 128.2 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | | | trans | 80.9 | 135 | 169 | -56.3 | 155.1 | -173.4 | 161.4 | 0 | 115.6 | | |
| 618 | T | 29.5 | Very low | 30.2 | Very low | 136 Ų | 136 | 124 Ų | 124 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | | | cis | -138.4 | 160.4 | 10.3 | 49.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 619 | S | 27.4 | Very low | 30.3 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | | | trans | -41 | 156.1 | 174.2 | -55.4 | 0 | 0 | 0 | 0 | 118.5 | | |
| 620 | A | 28.3 | Very low | 30.3 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 79% | 0.793 | 74% | 0.736 | S | S | * | * | | | cis | 80.7 | 150.8 | 38.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 621 | V | 30.5 | Very low | 30.3 | Very low | 145 Ų | 145 | 117.4 Ų | 117.4 | 88% | 0.879 | 72% | 0.717 | S | S | * | * | | | cis | -149.1 | -150.3 | 18.1 | 78 | 0 | 0 | 0 | 0 | 114.2 | | |
| 622 | V | 29.4 | Very low | 30.3 | Very low | 119 Ų | 119 | 115 Ų | 115 | 72% | 0.721 | 71% | 0.709 | S | S | * | * | | | trans | -114.8 | 162 | -157.1 | 161.9 | 0 | 0 | 0 | 0 | 115 | | |
| 623 | L | 37.7 | Very low | 30 | Very low | 166 Ų | 166 | 113.7 Ų | 113.7 | 87% | 0.869 | 70% | 0.701 | S | S | * | * | | | trans | -9.4 | 142.6 | 169.1 | -84.8 | 64.1 | 0 | 0 | 0 | 120.4 | | |
| 624 | A | 28.4 | Very low | 30 | Very low | 108 Ų | 108 | 110.5 Ų | 110.5 | 89% | 0.893 | 69% | 0.688 | S | S | * | * | | | trans | -169.1 | 175.6 | 132.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 625 | D | 24.8 | Very low | 29 | Very low | 168 Ų | 168 | 108.9 Ų | 108.9 | 90% | 0.898 | 68% | 0.679 | S | S | * | * | | | trans | -75.8 | -177.1 | -167.3 | -139.5 | -48.7 | 0 | 0 | 0 | 117 | | |
| 626 | G | 27.8 | Very low | 29 | Very low | 54 Ų | 54 | 106 Ų | 106 | 56% | 0.557 | 67% | 0.669 | S | S | * | * | | | trans | -84 | -161.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 627 | A | 30.8 | Very low | 29.4 | Very low | 61 Ų | 61 | 107.9 Ų | 107.9 | 50% | 0.504 | 67% | 0.67 | S | S | . | * | | | cis | -154.9 | -157 | -3 | 0 | 0 | 0 | 0 | 0 | 108.2 | F488 | F488-A627 WeakPolarHBondContact O-CB 3.36Š|
| 628 | T | 30 | Very low | 29.4 | Very low | 83 Ų | 83 | 108 Ų | 108 | 51% | 0.509 | 67% | 0.67 | S | S | . | * | | | trans | 163.5 | 118.5 | 148.1 | 149.8 | 0 | 0 | 0 | 0 | 113.4 | F488 | F488-T628 CarbonylContact O-C 3.2Å; F488-T628 WeakPolarHBondContact O-CA 3.25Å; F488-T628 PolarHBondContact O-N 3.38Å |
| 629 | I | 30.6 | Very low | 29.2 | Very low | 76 Ų | 76 | 106.5 Ų | 106.5 | 39% | 0.39 | 67% | 0.666 | S | S | . | * | | | | 37.7 | 113.3 | 127 | -58 | -80.5 | 0 | 0 | 0 | 113.1 | F488 L489 | F488-I629 HydrophobicContact CB-CD1 3.5Å; F488-I629 HydrophobicContact CB-CG1 3.71Å; F488-I629 HydrophobicContact CD1-CB 3.25Å; F488-I629 HydrophobicContact CD1-CD1 2.3Å; F488-I629 HydrophobicContact CD1-CG1 2.3Å; F488-I629 HydrophobicContact CD1-CG2 4.33Å; F488-I629 HydrophobicContact CD2-CB 3.9Å; F488-I629 HydrophobicContact CD2-CD1 2.31Å; F488-I629 HydrophobicContact CD2-CG1 2.31Å; F488-I629 HydrophobicContact CE1-CB 2.76Å; F488-I629 HydrophobicContact CE1-CD1 2.3Å; F488-I629 HydrophobicContact CE1-CG1 2.31Å; F488-I629 HydrophobicContact CE1-CG2 3.25Å; F488-I629 HydrophobicContact CE2-CB 3.51Å; F488-I629 HydrophobicContact CE2-CD1 2.3Å; F488-I629 HydrophobicContact CE2-CG1 2.32Å; F488-I629 HydrophobicContact CE2-CG2 3.69Å; F488-I629 HydrophobicContact CG-CB 3.81Å; F488-I629 HydrophobicContact CG-CD1 2.3Å; F488-I629 HydrophobicContact CG-CG1 2.33Å; F488-I629 HydrophobicContact CZ-CB 2.91Å; F488-I629 HydrophobicContact CZ-CD1 2.3Å; F488-I629 HydrophobicContact CZ-CG1 2.31Å; F488-I629 HydrophobicContact CZ-CG2 2.82Å; F488-I629 PolarHBondContact O-N 3Å; L489-I629 VanDerWaalsContact O-CA 3.3Å; L489-I629 WeakPolarHBondContact O-CA 3.39Å; L489-I629 PolarHBondContact O-N 3.06Å |
| 630 | V | 27.9 | Very low | 29.2 | Very low | 121 Ų | 121 | 105.8 Ų | 105.8 | 73% | 0.733 | 67% | 0.666 | S | S | * | * | | | cis | -150.9 | -178.4 | 45.2 | -128 | 0 | 0 | 0 | 0 | 109.7 | | |
| 631 | A | 26.9 | Very low | 28.9 | Very low | 64 Ų | 64 | 105.9 Ų | 105.9 | 53% | 0.529 | 67% | 0.667 | S | S | . | * | | | cis | -155.1 | 168 | 5.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T491 | T491-A631 VanDerWaalsContact CB-O 3.26Å; T491-A631 WeakPolarHBondContact CB-O 3.44Å; T491-A631 PolarHBondContact OG1-O 3.05Å |
| 632 | N | 26 | Very low | 29.4 | Very low | 106 Ų | 106 | 104.4 Ų | 104.4 | 57% | 0.567 | 66% | 0.661 | S | S | * | * | | | trans | -107.9 | 165.5 | -179.5 | -139 | -3.8 | 0 | 0 | 0 | 110.2 | T491 | T491-N632 WeakPolarHBondContact OG1-CA 3.36Å; T491-N632 PolarHBondContact OG1-N 2.82Å; T491-N632 PolarHBondContact OG1-OD1 3.04Å |
| 633 | P | 34.7 | Very low | 29.1 | Very low | 98 Ų | 98 | 103.5 Ų | 103.5 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | | | cis | -118.4 | -178.4 | 41.8 | 35.7 | -17.4 | 0 | 0 | 0 | 113 | | |
| 634 | I | 26.3 | Very low | 28.5 | Very low | 94 Ų | 94 | 99.4 Ų | 99.4 | 48% | 0.482 | 66% | 0.656 | S | S | . | * | S | Bend | cis | -144.6 | 115.6 | 28.3 | -59.6 | 164.8 | 0 | 0 | 0 | 112.8 | P493 P494 | P493-I634 CarbonylContact C-O 3.58Å; P494-I634 WeakPolarHBondContact CD-O 3.22Å; P494-I634 HydrophobicContact CG-CG2 4.22Å |
| 635 | S | 25.6 | Very low | 28.5 | Very low | 69 Ų | 69 | 100.4 Ų | 100.4 | 48% | 0.483 | 65% | 0.651 | S | S | . | * | | | trans | 28.3 | 102.6 | 158.4 | 63.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 636 | N | 27.7 | Very low | 28.6 | Very low | 101 Ų | 101 | 98.3 Ų | 98.3 | 54% | 0.54 | 64% | 0.644 | S | S | . | * | | | | 21.2 | 165 | 104.7 | -107.7 | 33.1 | 0 | 0 | 0 | 121.3 | | |
| 637 | P | 38.8 | Very low | 28.4 | Very low | 102 Ų | 102 | 101.5 Ų | 101.5 | 66% | 0.662 | 65% | 0.653 | S | S | * | * | | | cis | -144.7 | 161.5 | 12.6 | 43.1 | -23.8 | 0 | 0 | 0 | 120 | | |
| 638 | F | 27.7 | Very low | 28 | Very low | 191 Ų | 191 | 104.2 Ų | 104.2 | 84% | 0.838 | 66% | 0.663 | S | S | * | * | | | trans | 60.5 | 159.3 | 137.2 | -92.1 | -104.3 | 0 | 0 | 0 | 126.7 | | |
| 639 | S | 27.1 | Very low | 27.8 | Very low | 106 Ų | 106 | 107.4 Ų | 107.4 | 74% | 0.741 | 67% | 0.672 | S | S | * | * | | | trans | -120.4 | 171.3 | 173 | -67.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 640 | A | 25.8 | Very low | 27.6 | Very low | 93 Ų | 93 | 109.4 Ų | 109.4 | 77% | 0.769 | 69% | 0.688 | S | S | * | * | | | trans | 74.6 | 108.2 | 152.5 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 641 | A | 22 | Very low | 27.3 | Very low | 98 Ų | 98 | 112 Ų | 112 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | | | trans | 64.3 | -175.5 | 141 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 642 | P | 41.7 | Very low | 27.2 | Very low | 115 Ų | 115 | 112.3 Ų | 112.3 | 75% | 0.747 | 69% | 0.69 | S | S | * | * | | | | -120.9 | 177.3 | -57.5 | 34.4 | -22.9 | 0 | 0 | 0 | 113 | | |
| 643 | A | 23.6 | Very low | 27.1 | Very low | 100 Ų | 100 | 115.8 Ų | 115.8 | 83% | 0.826 | 70% | 0.703 | S | S | * | * | | | trans | 64.9 | 173.9 | 158 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 644 | A | 25.4 | Very low | 26.5 | Very low | 80 Ų | 80 | 115.8 Ų | 115.8 | 66% | 0.661 | 71% | 0.705 | S | S | * | * | | | cis | -163.1 | 156.5 | -47.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 645 | T | 26.6 | Very low | 26.5 | Very low | 129 Ų | 129 | 115.9 Ų | 115.9 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | | | trans | 70.3 | 162.9 | 157 | -39.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 646 | T | 27.2 | Very low | 26.5 | Very low | 123 Ų | 123 | 117 Ų | 117 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | | | trans | 85.9 | 131.3 | 155.1 | -41.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 647 | V | 23.3 | Very low | 26.7 | Very low | 121 Ų | 121 | 118 Ų | 118 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | | | cis | -168.4 | 166.7 | -26.7 | 75.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 648 | V | 23.4 | Very low | 26.2 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | | | trans | 71.1 | 151.1 | 156.8 | 153 | 0 | 0 | 0 | 0 | 117.1 | | |
| 649 | Q | 26.5 | Very low | 26.2 | Very low | 150 Ų | 150 | 115.6 Ų | 115.6 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | | | cis | -173.6 | 161.7 | -18.2 | 177.4 | 166.6 | -44.8 | 0 | 0 | 111.1 | | |
| 650 | T | 24.7 | Very low | 27 | Very low | 117 Ų | 117 | 117 Ų | 117 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | | | trans | 66.6 | 137.6 | 165.1 | 36 | 0 | 0 | 0 | 0 | 118 | | |
| 651 | H | 23 | Very low | 27.3 | Very low | 177 Ų | 177 | 117.3 Ų | 117.3 | 82% | 0.819 | 75% | 0.749 | S | S | * | * | | | | 68.6 | 132.7 | 64.5 | -118.2 | 67.6 | 0 | 0 | 0 | 112.3 | | |
| 652 | S | 23.8 | Very low | 27.5 | Very low | 70 Ų | 70 | 122 Ų | 122 | 49% | 0.49 | 75% | 0.754 | S | S | . | * | | | cis | -171.9 | 173 | -2.6 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 653 | Q | 24.1 | Very low | 26.8 | Very low | 179 Ų | 179 | 119.7 Ų | 119.7 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | | | trans | 67.9 | 162.3 | 157.8 | -72.3 | 170.2 | 100.8 | 0 | 0 | 116.5 | | |
| 654 | S | 22.9 | Very low | 26.9 | Very low | 98 Ų | 98 | 121.4 Ų | 121.4 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | | | cis | -171.6 | 156.1 | -17.6 | 48.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 655 | A | 25.1 | Very low | 27.7 | Very low | 95 Ų | 95 | 122.8 Ų | 122.8 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | trans | 63.9 | 159.9 | 148.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 656 | S | 26.5 | Very low | 28.1 | Very low | 94 Ų | 94 | 121.9 Ų | 121.9 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | | | cis | -170.7 | 164.6 | -25.9 | 56.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 657 | T | 31.1 | Very low | 28.2 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | trans | 65 | 154.6 | 153.5 | 44.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 658 | N | 29.3 | Very low | 29.2 | Very low | 160 Ų | 160 | 127.4 Ų | 127.4 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | | | cis | -146.9 | 177.7 | 8.8 | -127.1 | -5.3 | 0 | 0 | 0 | 112.5 | | |
| 659 | A | 27.2 | Very low | 29.4 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | | | trans | -121.3 | 170.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 660 | P | 44.6 | Very low | 30 | Very low | 134 Ų | 134 | 127.5 Ų | 127.5 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | | | | -134.3 | -170.9 | 91.5 | 40.9 | -31.2 | 0 | 0 | 0 | 114 | | |
| 661 | A | 30.5 | Very low | 30.2 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | -155.5 | 171.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 662 | Q | 27.6 | Very low | 30.6 | Very low | 196 Ų | 196 | 129.7 Ų | 129.7 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | | | trans | -138.9 | 154.5 | 169.1 | -100.8 | -74.8 | 0.9 | 0 | 0 | 109 | | |
| 663 | G | 26.9 | Very low | 30.8 | Very low | 67 Ų | 67 | 136.4 Ų | 136.4 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 97.2 | 149.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | S665 | G663-S665 PolarHBondContact O-N 2.76Š|
| 664 | S | 25.5 | Very low | 31 | Very low | 135 Ų | 135 | 137 Ų | 137 | 94% | 0.944 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -73.3 | 120 | -166.3 | -170.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 665 | S | 41.9 | Very low | 32.2 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | | | trans | -160 | 164.3 | 167.1 | -126.3 | 0 | 0 | 0 | 0 | 106.1 | G663 | G663-S665 PolarHBondContact O-N 2.76Š|
| 666 | P | 34.7 | Very low | 32.4 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | | | cis | -154.1 | -172.9 | 48.5 | 43.7 | -22.3 | 0 | 0 | 0 | 117 | | |
| 667 | R | 28.9 | Very low | 32.5 | Very low | 237 Ų | 237 | 138.5 Ų | 138.5 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | | | trans | 45 | 137.1 | 144.3 | -104.4 | -172.3 | 155.5 | 136.8 | -2.2 | 121.9 | | |
| 668 | P | 44.8 | Very low | 32.3 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | | | trans | -80.8 | 157.8 | 164 | 35.8 | -35.5 | 0 | 0 | 0 | 112.7 | | |
| 669 | S | 27.9 | Very low | 32.2 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -141.8 | 140.2 | 152.3 | -173 | 0 | 0 | 0 | 0 | 110.6 | | |
| 670 | I | 39.1 | Very low | 32.3 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -73.5 | 151.6 | 169.4 | -68.8 | 162.3 | 0 | 0 | 0 | 108.7 | | |
| 671 | L | 28.5 | Very low | 31.6 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | | | | 157.8 | 129.3 | 119.9 | -168.7 | 60 | 0 | 0 | 0 | 116.2 | | |
| 672 | R | 32.1 | Very low | 31.5 | Very low | 217 Ų | 217 | 139.2 Ų | 139.2 | 82% | 0.819 | 79% | 0.788 | S | S | * | * | | | trans | 72.6 | 139.8 | 155.8 | -78.2 | 162.7 | -168 | 156 | 0.5 | 123.1 | | |
| 673 | K | 28.1 | Very low | 31.8 | Very low | 212 Ų | 212 | 140.6 Ų | 140.6 | 92% | 0.922 | 78% | 0.784 | S | S | * | * | | | trans | 94.2 | 158.1 | 142.7 | -113.7 | -178 | 178.5 | -175.2 | 0 | 121.4 | | |
| 674 | K | 26.9 | Very low | 31.9 | Very low | 190 Ų | 190 | 146 Ų | 146 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | | | trans | -102.2 | -168.3 | 179.9 | -62.5 | -173.8 | 175.5 | -172.3 | 0 | 109.9 | | |
| 675 | P | 49.4 | Very low | 32.1 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | | -127.6 | -167.8 | -66.2 | 39 | -22.5 | 0 | 0 | 0 | 111.5 | | |
| 676 | A | 28.8 | Very low | 31.4 | Very low | 89 Ų | 89 | 147.7 Ų | 147.7 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | trans | 64.9 | 173.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 677 | T | 28 | Very low | 31.4 | Very low | 118 Ų | 118 | 149.4 Ų | 149.4 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | | | cis | -169 | 163.8 | -36.7 | -79.9 | 0 | 0 | 0 | 0 | 106 | | |
| 678 | D | 28.3 | Very low | 31.7 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | | | trans | 67.5 | 155.3 | 174.9 | -71.4 | -49.8 | 0 | 0 | 0 | 118.1 | | |
| 679 | G | 27.5 | Very low | 31.7 | Very low | 57 Ų | 57 | 143.2 Ų | 143.2 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | | | cis | 169.7 | 152.8 | -9.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 680 | M | 28 | Very low | 31.5 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 95% | 0.951 | 78% | 0.777 | S | S | * | * | | | trans | 63.6 | 169.9 | 173.7 | -44.8 | -167.3 | -69.3 | 0 | 0 | 116.1 | | |
| 681 | A | 29.7 | Very low | 31.9 | Very low | 81 Ų | 81 | 144.8 Ų | 144.8 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | cis | -151.5 | 133 | 1.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 682 | V | 29.3 | Very low | 32.7 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | | 93.6 | 155.3 | 86.9 | 171.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 683 | R | 32.9 | Very low | 32.5 | Very low | 224 Ų | 224 | 140.3 Ų | 140.3 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | trans | 80.2 | 142.7 | 175.5 | -36.1 | -179.1 | -162.1 | -102.3 | -8.4 | 114.7 | | |
| 684 | K | 30.7 | Very low | 32.7 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | | | cis | -142.7 | 133.9 | 11.5 | -81 | -167.1 | 179.1 | -178.2 | 0 | 109.8 | | |
| 685 | T | 28.9 | Very low | 32.7 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | | | | 57 | 135.3 | 79.5 | 67.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 686 | L | 26.6 | Very low | 31.8 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | | | cis | -158.7 | 172.4 | 8.2 | -150.8 | 71.6 | 0 | 0 | 0 | 112.7 | | |
| 687 | I | 34.2 | Very low | 33.1 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | | | trans | -103.2 | 157.5 | 169.7 | -34.7 | 175.2 | 0 | 0 | 0 | 109.3 | | |
| 688 | P | 35.4 | Very low | 33.2 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | | | | -153.8 | -168.8 | 110.6 | 43.3 | -23.3 | 0 | 0 | 0 | 114.3 | | |
| 689 | P | 44.9 | Very low | 33.4 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | | -143.4 | 166 | -77.6 | 44.5 | -26.4 | 0 | 0 | 0 | 119.6 | | |
| 690 | Q | 24.7 | Very low | 33.4 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | | | trans | 71.8 | 156.9 | 146.3 | -78.2 | -157.9 | -19.5 | 0 | 0 | 126.3 | | |
| 691 | P | 46.1 | Very low | 33.5 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | | | trans | -112.7 | -118.1 | -172 | 37.8 | -15.8 | 0 | 0 | 0 | 114 | | |
| 692 | P | 45.8 | Very low | 33.5 | Very low | 101 Ų | 101 | 140 Ų | 140 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | | | cis | -142.2 | -169.7 | 11.1 | 46.7 | -25 | 0 | 0 | 0 | 119 | | |
| 693 | D | 28.6 | Very low | 33.6 | Very low | 143 Ų | 143 | 142 Ų | 142 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | | | trans | 78.6 | 126.1 | 143.9 | -74.7 | -47 | 0 | 0 | 0 | 130.3 | | |
| 694 | V | 32.8 | Very low | 33.6 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | | | trans | 43.8 | 125.7 | 133.2 | 175.6 | 0 | 0 | 0 | 0 | 125.5 | | |
| 695 | A | 26.9 | Very low | 33.5 | Very low | 89 Ų | 89 | 137.6 Ų | 137.6 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | | -172.5 | 152.3 | 129.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 696 | S | 30.3 | Very low | 33.7 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | trans | -165.2 | 149.5 | 175.3 | -80.9 | 0 | 0 | 0 | 0 | 116.4 | | |
| 697 | P | 55.1 | Low | 33.9 | Very low | 132 Ų | 132 | 137 Ų | 137 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | | | trans | -108.5 | -166.5 | 179.5 | 41.9 | -35.9 | 0 | 0 | 0 | 116 | | |
| 698 | R | 29.7 | Very low | 33.6 | Very low | 216 Ų | 216 | 133.6 Ų | 133.6 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | | | trans | -159.1 | 147.8 | -161.4 | 167.4 | -173.4 | -178 | 172.4 | 2.4 | 112.5 | | |
| 699 | V | 33.1 | Very low | 33.3 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 90% | 0.903 | 79% | 0.789 | S | S | * | * | | | trans | 174.4 | -174.5 | 139.5 | -83.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 700 | E | 28.3 | Very low | 33.6 | Very low | 161 Ų | 161 | 134 Ų | 134 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | trans | -152 | 158.1 | -136.7 | -176.1 | 166.7 | 179.7 | 0 | 0 | 118.5 | | |
| 701 | S | 28.7 | Very low | 33.8 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | 73.4 | 163.8 | 163 | -81.3 | 0 | 0 | 0 | 0 | 122.2 | | |
| 702 | S | 30.1 | Very low | 33.9 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | | | cis | -175.5 | 177 | -33.1 | -165.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 703 | M | 32.3 | Very low | 33 | Very low | 162 Ų | 162 | 136 Ų | 136 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | | | trans | 77.9 | 126.7 | 157.3 | -59.9 | -67.5 | -178.6 | 0 | 0 | 125.7 | | |
| 704 | R | 32.7 | Very low | 32.9 | Very low | 229 Ų | 229 | 133 Ų | 133 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | 51.5 | 174.7 | 140.6 | -76.3 | -165.4 | 162.8 | -148.8 | -2.1 | 122.9 | | |
| 705 | S | 29.5 | Very low | 32.7 | Very low | 84 Ų | 84 | 131.8 Ų | 131.8 | 59% | 0.587 | 81% | 0.806 | S | S | * | * | | | cis | -179.3 | 162.7 | -48.4 | -81.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 706 | T | 31.9 | Very low | 32.8 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 87% | 0.871 | 81% | 0.812 | S | S | * | * | | | trans | 67.9 | 169.7 | 168.5 | 71.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 707 | S | 30.5 | Very low | 33.5 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | cis | -170.6 | 154.9 | -35 | 177.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 708 | G | 28 | Very low | 32.1 | Very low | 76 Ų | 76 | 139.9 Ų | 139.9 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | | | trans | 170.5 | 146.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 709 | S | 28.7 | Very low | 32.2 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -158.9 | 164 | 173.2 | -165.9 | 0 | 0 | 0 | 0 | 106.6 | | |
| 710 | P | 51.8 | Low | 31.8 | Very low | 119 Ų | 119 | 134 Ų | 134 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | cis | -142.3 | -155.3 | 16.2 | 44.5 | -22.2 | 0 | 0 | 0 | 116.4 | | |
| 711 | R | 29.2 | Very low | 32.1 | Very low | 233 Ų | 233 | 133.1 Ų | 133.1 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -28.8 | 177.1 | 161.5 | -106.7 | -173 | 172.1 | -169.4 | -1.5 | 119.4 | | |
| 712 | P | 47.6 | Very low | 32 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | | | cis | -147.3 | 169.5 | 12.9 | 40.7 | -19.1 | 0 | 0 | 0 | 121.7 | | |
| 713 | A | 27.5 | Very low | 32 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | | | trans | 51.1 | 146.2 | 135.1 | 0 | 0 | 0 | 0 | 0 | 128 | | |
| 714 | G | 27 | Very low | 31.8 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | 103.4 | 152 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 715 | A | 28.2 | Very low | 31.6 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | | | cis | -160.9 | 179.9 | -16.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 716 | K | 28.6 | Very low | 31.6 | Very low | 202 Ų | 202 | 131 Ų | 131 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | | | trans | -88.4 | -169.2 | -178 | -55.8 | 177.4 | 178.3 | 175.6 | 0 | 111.9 | | |
| 717 | P | 44.7 | Very low | 31.5 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | cis | -146.2 | -138.8 | 9.6 | 46 | -21.7 | 0 | 0 | 0 | 117.5 | | |
| 718 | K | 25.5 | Very low | 32.9 | Very low | 187 Ų | 187 | 129.3 Ų | 129.3 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -68.5 | -175.9 | -174.7 | -56.4 | 176.9 | 176.6 | -177.2 | 0 | 113.9 | | |
| 719 | S | 32.3 | Very low | 32.8 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | | | cis | -167 | 150.1 | 32.3 | -18.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 720 | E | 25.3 | Very low | 32.9 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | | | | 93.9 | 163.4 | 77.5 | -159.5 | -174.2 | 144.4 | 0 | 0 | 114.7 | H722 | E720-H722 WeakPolarHBondContact CG-CE1 3.24Å; E720-H722 IonicContact OE1-CE1 3.23Å |
| 721 | I | 33.2 | Very low | 31.9 | Very low | 142 Ų | 142 | 132 Ų | 132 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | | | trans | 88.2 | 104.4 | 167.9 | -54.4 | -179 | 0 | 0 | 0 | 114.7 | | |
| 722 | H | 28 | Very low | 31.9 | Very low | 145 Ų | 145 | 125.4 Ų | 125.4 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | | | cis | 85.6 | 136.2 | 31.4 | -47.8 | 158.5 | 0 | 0 | 0 | 113.5 | E720 | E720-H722 WeakPolarHBondContact CG-CE1 3.24Å; E720-H722 IonicContact OE1-CE1 3.23Å |
| 723 | V | 29.5 | Very low | 31 | Very low | 133 Ų | 133 | 127 Ų | 127 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | | | cis | -159.6 | 154.1 | -9.9 | 55.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 724 | S | 28 | Very low | 31 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | -169.8 | 161 | 177.3 | -79.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 725 | M | 28.9 | Very low | 31 | Very low | 174 Ų | 174 | 131.6 Ų | 131.6 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | | | cis | -169.5 | 158.6 | -18.2 | -100.7 | -49.3 | -176.7 | 0 | 0 | 106.1 | | |
| 726 | A | 29.9 | Very low | 30.8 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 65% | 0.653 | 75% | 0.747 | S | S | * | * | | | cis | -150.8 | -104.2 | -6.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 727 | T | 30.1 | Very low | 30.5 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | | | trans | -156.6 | 167.1 | -171.3 | 47.2 | 0 | 0 | 0 | 0 | 108.7 | T730 | T727-T730 HydrophobicContact CG2-CG2 4.38Š|
| 728 | P | 58.8 | Low | 29.4 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | S | Bend | cis | -101.9 | -172.3 | 3.9 | 43.2 | -36.6 | 0 | 0 | 0 | 112 | | |
| 729 | V | 26.2 | Very low | 29.4 | Very low | 141 Ų | 141 | 128.1 Ų | 128.1 | 86% | 0.855 | 74% | 0.736 | S | S | * | * | S | Bend | cis | -115.6 | 135.6 | 2.2 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 730 | T | 31 | Very low | 29.1 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 64% | 0.644 | 74% | 0.741 | S | S | * | * | | | trans | -99.2 | 174.7 | -172.7 | 47 | 0 | 0 | 0 | 0 | 112.2 | T727 | T727-T730 HydrophobicContact CG2-CG2 4.38Š|
| 731 | V | 30.3 | Very low | 29.2 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | | | cis | -139 | -155.7 | 17 | -138.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 732 | S | 28.6 | Very low | 29 | Very low | 95 Ų | 95 | 128.7 Ų | 128.7 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | | | cis | -167.4 | 166.4 | 2.8 | -118 | 0 | 0 | 0 | 0 | 107.8 | | |
| 733 | M | 30.2 | Very low | 29 | Very low | 142 Ų | 142 | 130.1 Ų | 130.1 | 70% | 0.7 | 75% | 0.745 | S | S | * | * | | | cis | -166.4 | 150.1 | -24.8 | -120.9 | -177.3 | 72.7 | 0 | 0 | 109 | | |
| 734 | E | 27.4 | Very low | 29.6 | Very low | 157 Ų | 157 | 128.3 Ų | 128.3 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | | | trans | 57.1 | 146.4 | 167.8 | -111.4 | 158.9 | 117.8 | 0 | 0 | 119.9 | | |
| 735 | T | 26.3 | Very low | 29.6 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | | | cis | 90.1 | 165.9 | 25.9 | 9.9 | 0 | 0 | 0 | 0 | 118.7 | | |
| 736 | V | 24.7 | Very low | 29.4 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | | | trans | -60.4 | 153 | -145.5 | -131.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 737 | S | 22.4 | Very low | 29.4 | Very low | 94 Ų | 94 | 127.9 Ų | 127.9 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | | | trans | 67.9 | 119 | 139.9 | -156.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 738 | N | 22.1 | Very low | 29.2 | Very low | 153 Ų | 153 | 129 Ų | 129 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | | -167.6 | -177.2 | 100.9 | -111.2 | 9.7 | 0 | 0 | 0 | 114.9 | | |
| 739 | Q | 25.5 | Very low | 28.1 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | | | trans | -91.6 | 171.6 | -175.7 | -55.5 | 172.4 | 5.2 | 0 | 0 | 113.1 | | |
| 740 | N | 24.7 | Very low | 29 | Very low | 147 Ų | 147 | 127.1 Ų | 127.1 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | | | trans | 65.5 | 154.8 | 172.8 | -84 | 15.1 | 0 | 0 | 0 | 116 | | |
| 741 | N | 27.3 | Very low | 29.1 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 66% | 0.658 | 73% | 0.733 | S | S | * | * | | | cis | -143.6 | -166.2 | 16.9 | -150 | 66.7 | 0 | 0 | 0 | 113.3 | | |
| 742 | D | 28.8 | Very low | 29.5 | Very low | 126 Ų | 126 | 123.9 Ų | 123.9 | 67% | 0.674 | 71% | 0.714 | S | S | * | * | | | trans | -59 | 163.4 | -173.5 | -66.2 | -78.4 | 0 | 0 | 0 | 119.8 | | |
| 743 | Q | 27.8 | Very low | 29.8 | Very low | 176 Ų | 176 | 123.4 Ų | 123.4 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | | | trans | 1.7 | 169.6 | 133.3 | -102.7 | -167.5 | -20.7 | 0 | 0 | 121 | | |
| 744 | P | 43.2 | Very low | 30 | Very low | 95 Ų | 95 | 124 Ų | 124 | 62% | 0.617 | 70% | 0.702 | S | S | * | * | | | cis | -144.2 | -157.6 | -5.8 | 33.6 | -8.5 | 0 | 0 | 0 | 115 | | |
| 745 | T | 27.1 | Very low | 31.3 | Very low | 108 Ų | 108 | 121.8 Ų | 121.8 | 66% | 0.663 | 70% | 0.702 | S | S | * | * | | | trans | 75.6 | 113.2 | 140.2 | -68.3 | 0 | 0 | 0 | 0 | 118.4 | | |
| 746 | I | 26.1 | Very low | 32.4 | Very low | 154 Ų | 154 | 121.4 Ų | 121.4 | 79% | 0.79 | 70% | 0.701 | S | S | * | * | | | | 63 | 126.6 | 83.7 | -59.4 | 157.9 | 0 | 0 | 0 | 111.3 | | |
| 747 | A | 28.6 | Very low | 33.4 | Very low | 85 Ų | 85 | 120.2 Ų | 120.2 | 70% | 0.702 | 70% | 0.696 | S | S | * | * | | | cis | -155.2 | 162.4 | 48.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 748 | V | 26 | Very low | 33.7 | Very low | 136 Ų | 136 | 121.6 Ų | 121.6 | 82% | 0.824 | 70% | 0.701 | S | S | * | * | | | cis | 85.1 | 133.4 | 48.8 | 170.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 749 | P | 36.5 | Very low | 34.1 | Very low | 116 Ų | 116 | 121.8 Ų | 121.8 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | | | | -118.4 | -93.3 | -114 | 26.2 | -7.1 | 0 | 0 | 0 | 124.8 | | |
| 750 | P | 44.9 | Very low | 34.8 | Very low | 105 Ų | 105 | 119 Ų | 119 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | | | | -117.5 | -163.4 | -124.9 | 34.8 | -14 | 0 | 0 | 0 | 114.8 | | |
| 751 | T | 32.7 | Very low | 34.9 | Very low | 118 Ų | 118 | 118.1 Ų | 118.1 | 72% | 0.724 | 70% | 0.697 | S | S | * | * | | | cis | -161.3 | -161.2 | 23 | -21.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 752 | A | 38.6 | Very low | 35 | Very low | 43 Ų | 43 | 119.9 Ų | 119.9 | 36% | 0.355 | 70% | 0.703 | S | S | . | * | | | cis | -166.6 | 179.4 | -3 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q171 V172 | Q171-A752 CarbonylContact C-O 2.93Å; Q171-A752 VanDerWaalsContact C-O 3.29Å; Q171-A752 WeakPolarHBondContact CA-O 3.34Å; Q171-A752 PolarHBondContact N-O 2.69Å; V172-A752 PolarHBondContact N-O 2.87Å |
| 753 | Q | 34.5 | Very low | 35 | Very low | 86 Ų | 86 | 121.2 Ų | 121.2 | 40% | 0.402 | 71% | 0.709 | S | S | . | * | | | trans | 62.5 | 159.2 | 164.6 | -45.1 | -162.3 | 6.3 | 0 | 0 | 119.2 | G170 Q171 V172 T173 | G170-Q753 CarbonylContact C-O 3.3Å; G170-Q753 WeakPolarHBondContact CA-O 3.34Å; G170-Q753 PolarHBondContact N-O 2.85Å; Q171-Q753 PolarHBondContact N-O 3.1Å; Q171-Q753 VanDerWaalsContact N-O 3.1Å; V172-Q753 VanDerWaalsContact C-CD 3.48Å; V172-Q753 PolarHBondContact O-OE1 3.01Å; T173-Q753 PolarHBondContact O-NE2 3.17Å |
| 754 | Q | 34.6 | Very low | 35 | Very low | 155 Ų | 155 | 117.5 Ų | 117.5 | 72% | 0.724 | 71% | 0.708 | S | S | * | * | | | cis | -115.6 | 175.7 | 7.4 | -97.3 | -163.3 | -6.7 | 0 | 0 | 114 | | |
| 755 | P | 56 | Low | 34.2 | Very low | 110 Ų | 110 | 118 Ų | 118 | 71% | 0.714 | 72% | 0.721 | S | S | * | * | | | trans | -104.7 | -165.9 | -156.5 | 44.9 | -39.5 | 0 | 0 | 0 | 114 | | |
| 756 | P | 48.9 | Very low | 34.2 | Very low | 117 Ų | 117 | 117.4 Ų | 117.4 | 76% | 0.76 | 73% | 0.727 | S | S | * | * | | | cis | -132.5 | -144.8 | 1.2 | 37.4 | -13.2 | 0 | 0 | 0 | 113.3 | | |
| 757 | P | 45.5 | Very low | 34.3 | Very low | 106 Ų | 106 | 115.5 Ų | 115.5 | 69% | 0.688 | 73% | 0.727 | S | S | * | * | | | | -123.1 | 134.6 | -63.3 | 27.9 | -8.7 | 0 | 0 | 0 | 117.4 | | |
| 758 | T | 29.3 | Very low | 35.4 | Very low | 124 Ų | 124 | 117.2 Ų | 117.2 | 76% | 0.761 | 73% | 0.731 | S | S | * | * | | | trans | 62.6 | 144.7 | 131 | -20.8 | 0 | 0 | 0 | 0 | 126 | | |
| 759 | I | 29.8 | Very low | 35.9 | Very low | 157 Ų | 157 | 116.3 Ų | 116.3 | 81% | 0.805 | 73% | 0.727 | S | S | * | * | | | trans | 81 | 152.7 | 158.3 | 26.8 | -178.8 | 0 | 0 | 0 | 121 | | |
| 760 | P | 40.8 | Very low | 35.6 | Very low | 113 Ų | 113 | 116 Ų | 116 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | | | | -138.1 | -158.1 | -110 | 47.8 | -28.9 | 0 | 0 | 0 | 115.3 | | |
| 761 | T | 26.3 | Very low | 35 | Very low | 128 Ų | 128 | 120 Ų | 120 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | | | trans | -147.9 | 109.7 | 170.3 | -75.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 762 | M | 28.6 | Very low | 35.2 | Very low | 159 Ų | 159 | 120.2 Ų | 120.2 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | | | trans | 68.3 | 147.4 | 139 | -73.8 | -123.5 | -69.7 | 0 | 0 | 125.8 | | |
| 763 | I | 30.2 | Very low | 34.6 | Very low | 154 Ų | 154 | 121.1 Ų | 121.1 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | | | trans | 77.8 | 113.3 | 154 | -65 | 148.9 | 0 | 0 | 0 | 120 | | |
| 764 | A | 27.1 | Very low | 34.7 | Very low | 99 Ų | 99 | 122.6 Ų | 122.6 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -157.7 | 165.4 | 132.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 765 | A | 26.7 | Very low | 34.4 | Very low | 106 Ų | 106 | 116.7 Ų | 116.7 | 88% | 0.876 | 74% | 0.741 | S | S | * | * | | | trans | -87 | 171.6 | -165.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 766 | A | 27.5 | Very low | 33.1 | Very low | 95 Ų | 95 | 118.8 Ų | 118.8 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | trans | -152.1 | 159.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 767 | S | 27.6 | Very low | 32 | Very low | 114 Ų | 114 | 118.5 Ų | 118.5 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | | | trans | -141.4 | 157.6 | 160.7 | -74.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 768 | P | 51 | Low | 31.2 | Very low | 121 Ų | 121 | 119.4 Ų | 119.4 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | trans | -86.9 | 166.7 | -149.9 | 35 | -38.5 | 0 | 0 | 0 | 115.1 | | |
| 769 | P | 37.7 | Very low | 31.4 | Very low | 116 Ų | 116 | 120.7 Ų | 120.7 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | | | | -148.4 | 153.3 | 108.2 | 38 | -22.1 | 0 | 0 | 0 | 118.2 | | |
| 770 | S | 29.9 | Very low | 32.2 | Very low | 111 Ų | 111 | 119.3 Ų | 119.3 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | | | trans | 62.5 | 128.1 | 140.2 | -59.7 | 0 | 0 | 0 | 0 | 126.2 | | |
| 771 | Q | 32.4 | Very low | 31.6 | Very low | 187 Ų | 187 | 117.3 Ų | 117.3 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | | | trans | 67.1 | 145.9 | 146.9 | -69.5 | -169.7 | -10.5 | 0 | 0 | 122.6 | | |
| 772 | P | 36.5 | Very low | 31.6 | Very low | 124 Ų | 124 | 116.3 Ų | 116.3 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | | | | -142.8 | 174.2 | 126.6 | 40.7 | -28.1 | 0 | 0 | 0 | 114.9 | | |
| 773 | A | 26.3 | Very low | 31.7 | Very low | 61 Ų | 61 | 115.4 Ų | 115.4 | 50% | 0.504 | 76% | 0.76 | S | S | . | * | | | trans | -142.5 | -165.9 | 165 | 0 | 0 | 0 | 0 | 0 | 111.7 | H197 | H197-A773 PolarHBondContact CE1-O 2.82Å; H197-A773 WeakPolarHBondContact NE2-CB 3.32Å |
| 774 | V | 35.5 | Very low | 32.3 | Very low | 117 Ų | 117 | 113.1 Ų | 113.1 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | | | trans | -136.9 | 155.1 | -148.3 | -175.4 | 0 | 0 | 0 | 0 | 114.2 | H197 | H197-V774 PolarHBondContact N-O 2.97Å; H197-V774 CarbonylContact O-C 3.29Å; H197-V774 WeakPolarHBondContact O-CA 3.01Å |
| 775 | A | 28.4 | Very low | 32.3 | Very low | 32 Ų | 32 | 115.9 Ų | 115.9 | 26% | 0.264 | 75% | 0.754 | S | S | . | * | | | trans | -165.7 | -151.7 | 154 | 0 | 0 | 0 | 0 | 0 | 115.3 | H197 P198 | H197-A775 PolarHBondContact O-N 3.1Å; P198-A775 WeakPolarHBondContact CG-O 3.33Å |
| 776 | L | 29.1 | Very low | 32.2 | Very low | 154 Ų | 154 | 116.7 Ų | 116.7 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | | | trans | -130.3 | 167.7 | -165.6 | -65.7 | 64.2 | 0 | 0 | 0 | 109.8 | | |
| 777 | S | 25.8 | Very low | 33.1 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | | | trans | -147.5 | 156.4 | 134 | -143.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 778 | T | 28 | Very low | 34.1 | Very low | 125 Ų | 125 | 116.9 Ų | 116.9 | 77% | 0.767 | 74% | 0.739 | S | S | * | * | | | cis | -145.5 | 163 | 17.8 | -51.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 779 | I | 35.1 | Very low | 33.1 | Very low | 151 Ų | 151 | 118.4 Ų | 118.4 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | | | trans | -140.1 | 175.2 | -176 | 63.3 | 171.5 | 0 | 0 | 0 | 110.7 | | |
| 780 | P | 46.7 | Very low | 32.6 | Very low | 128 Ų | 128 | 118.6 Ų | 118.6 | 83% | 0.831 | 74% | 0.738 | S | S | * | * | | | cis | -130.3 | -165.7 | -2.2 | 43.7 | -27.2 | 0 | 0 | 0 | 114 | | |
| 781 | G | 27.3 | Very low | 32.8 | Very low | 71 Ų | 71 | 118.8 Ų | 118.8 | 73% | 0.732 | 74% | 0.735 | S | S | * | * | | | trans | 175.1 | 99.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 782 | A | 25.7 | Very low | 32.7 | Very low | 108 Ų | 108 | 117.9 Ų | 117.9 | 89% | 0.893 | 73% | 0.734 | S | S | * | * | | | trans | 62.5 | 157 | 155.3 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 783 | V | 31.5 | Very low | 32.3 | Very low | 140 Ų | 140 | 116.3 Ų | 116.3 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | | | trans | -132.6 | 174.7 | 175.7 | -99.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 784 | P | 41.9 | Very low | 32.4 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | | | cis | -138.3 | -154.4 | 9 | 26.3 | 1.9 | 0 | 0 | 0 | 114.6 | | |
| 785 | I | 27.2 | Very low | 32 | Very low | 158 Ų | 158 | 117 Ų | 117 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | | | trans | 100.6 | 150.7 | 153.9 | -55.7 | 159.3 | 0 | 0 | 0 | 118.3 | | |
| 786 | T | 24.7 | Very low | 33 | Very low | 123 Ų | 123 | 121 Ų | 121 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | -143.7 | 178.4 | -169.8 | 53.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 787 | P | 47.5 | Very low | 33.9 | Very low | 115 Ų | 115 | 119 Ų | 119 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | | | cis | -129 | -24.7 | -19 | 12.9 | 9.8 | 0 | 0 | 0 | 124.7 | | |
| 788 | P | 48.3 | Very low | 34.7 | Very low | 97 Ų | 97 | 118.7 Ų | 118.7 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | | | | -132.3 | 159.4 | -122.1 | 43 | -27.8 | 0 | 0 | 0 | 120.8 | | |
| 789 | I | 28.8 | Very low | 34.7 | Very low | 153 Ų | 153 | 117.7 Ų | 117.7 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | trans | 70.8 | 144.4 | 149.3 | -71.5 | 164.7 | 0 | 0 | 0 | 117 | | |
| 790 | T | 28.6 | Very low | 34.4 | Very low | 120 Ų | 120 | 117 Ų | 117 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | cis | -140.1 | 145 | 13.3 | -15 | 0 | 0 | 0 | 0 | 107.7 | | |
| 791 | T | 33.1 | Very low | 33.5 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | | | cis | 72.3 | 135.2 | 40.9 | -44.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 792 | I | 29.8 | Very low | 33.5 | Very low | 167 Ų | 167 | 120 Ų | 120 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | | | cis | -101.9 | -143.9 | 8.8 | -13 | 176.8 | 0 | 0 | 0 | 111.8 | | |
| 793 | A | 28.1 | Very low | 33.5 | Very low | 92 Ų | 92 | 118.6 Ų | 118.6 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | | | cis | -146.7 | -159.7 | 4.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 794 | A | 28.5 | Very low | 33.3 | Very low | 99 Ų | 99 | 115.4 Ų | 115.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | cis | -158.8 | -179.9 | 1.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 795 | A | 28.3 | Very low | 32.7 | Very low | 92 Ų | 92 | 116.2 Ų | 116.2 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | trans | -160.7 | -170.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 796 | P | 48.3 | Very low | 32.7 | Very low | 116 Ų | 116 | 116.9 Ų | 116.9 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | | | | -133.8 | -148.4 | -72.1 | 42.5 | -24.4 | 0 | 0 | 0 | 112.2 | | |
| 797 | P | 48.8 | Very low | 32.8 | Very low | 114 Ų | 114 | 116.5 Ų | 116.5 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | | | cis | -121.7 | -36.4 | -34 | 17.9 | -0.5 | 0 | 0 | 0 | 124.8 | | |
| 798 | P | 41.9 | Very low | 31.7 | Very low | 103 Ų | 103 | 115.8 Ų | 115.8 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | | | | -130 | 151.1 | -114.2 | 40.9 | -25.7 | 0 | 0 | 0 | 122.2 | | |
| 799 | S | 27.8 | Very low | 30.7 | Very low | 103 Ų | 103 | 117.9 Ų | 117.9 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | | | trans | 61.7 | 114.3 | 137.1 | 66.7 | 0 | 0 | 0 | 0 | 125.9 | | |
| 800 | V | 29.2 | Very low | 30.7 | Very low | 137 Ų | 137 | 118.6 Ų | 118.6 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | | | trans | 37.2 | 145 | 142 | -58 | 0 | 0 | 0 | 0 | 125.3 | | |
| 801 | T | 27.8 | Very low | 30.5 | Very low | 124 Ų | 124 | 116.3 Ų | 116.3 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | | | trans | 118.3 | 117.6 | 139.6 | -44.6 | 0 | 0 | 0 | 0 | 118.9 | | |
| 802 | V | 28 | Very low | 30.7 | Very low | 137 Ų | 137 | 116.7 Ų | 116.7 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | | | trans | 18.1 | 118.5 | 151.6 | -172 | 0 | 0 | 0 | 0 | 121.4 | | |
| 803 | G | 25.9 | Very low | 30.7 | Very low | 80 Ų | 80 | 114.1 Ų | 114.1 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | 72.5 | 138.9 | 133.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 804 | G | 27.8 | Very low | 30.8 | Very low | 72 Ų | 72 | 116.3 Ų | 116.3 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | | | cis | 176.1 | 164 | -4.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 805 | S | 28.5 | Very low | 31.2 | Very low | 122 Ų | 122 | 117.6 Ų | 117.6 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | | | trans | 61.9 | 99.8 | 172.6 | -60 | 0 | 0 | 0 | 0 | 118.4 | | |
| 806 | L | 26.6 | Very low | 31.1 | Very low | 173 Ų | 173 | 121.4 Ų | 121.4 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | | | | -174.5 | 144.2 | 112.9 | -98.7 | 175.8 | 0 | 0 | 0 | 112.3 | | |
| 807 | S | 26.2 | Very low | 30.1 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | 72.2 | 164.1 | 163.3 | -150.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 808 | S | 25.2 | Very low | 29.2 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | | | trans | 66 | 112.3 | 173.4 | 61.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 809 | V | 27.8 | Very low | 28.8 | Very low | 141 Ų | 141 | 126.2 Ų | 126.2 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | | | trans | 66.1 | 114 | 132.7 | -179.9 | 0 | 0 | 0 | 0 | 119 | | |
| 810 | L | 28.1 | Very low | 28.8 | Very low | 167 Ų | 167 | 128.6 Ų | 128.6 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | -64.9 | 154.4 | 161.4 | -74.5 | 87.7 | 0 | 0 | 0 | 111.5 | | |
| 811 | G | 25.4 | Very low | 29 | Very low | 72 Ų | 72 | 127.3 Ų | 127.3 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | trans | -83.8 | -138.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 812 | P | 35.7 | Very low | 28.7 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | trans | -98.6 | -170.9 | -151.4 | 43.3 | -42.1 | 0 | 0 | 0 | 113.7 | | |
| 813 | P | 31.5 | Very low | 29.1 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | cis | -125.5 | -174.3 | -13.2 | 15 | 11 | 0 | 0 | 0 | 114.1 | | |
| 814 | V | 30.2 | Very low | 29.2 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | | | trans | 1.2 | 127.4 | 155.9 | -173.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 815 | P | 35.3 | Very low | 30.4 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | -83.2 | 155.8 | -172.6 | 34 | -37.2 | 0 | 0 | 0 | 116.6 | | |
| 816 | E | 26.9 | Very low | 30.6 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | -99.5 | 166.7 | 176.3 | 177.2 | -176.2 | -140.5 | 0 | 0 | 111.5 | | |
| 817 | I | 27 | Very low | 30.7 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | | | trans | -106.8 | 114.7 | 169.7 | -41.1 | 179.1 | 0 | 0 | 0 | 110.7 | | |
| 818 | K | 30.7 | Very low | 30.8 | Very low | 141 Ų | 141 | 135 Ų | 135 | 61% | 0.613 | 75% | 0.75 | S | S | * | * | | | trans | -73.7 | -172.9 | 173.4 | -75.7 | -171.9 | 163.7 | -159.1 | 0 | 112.3 | E821 | K818-E821 IonicContact NZ-OE2 3.73Å; K818-E821 PolarHBondContact NZ-OE2 2.88Å |
| 819 | V | 32.5 | Very low | 31 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | | | | -179.2 | 148 | 54.9 | 173.4 | 0 | 0 | 0 | 0 | 106.8 | | |
| 820 | K | 29.6 | Very low | 31.1 | Very low | 153 Ų | 153 | 140 Ų | 140 | 67% | 0.665 | 75% | 0.745 | S | S | * | * | | | cis | -140 | 165 | -1.1 | -129.1 | -166.6 | 172.7 | -54.9 | 0 | 108.1 | | |
| 821 | E | 33.5 | Very low | 31.7 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 51% | 0.514 | 74% | 0.736 | S | S | . | * | | | cis | 86.3 | 89.9 | 7.5 | 170.8 | -143.3 | 95 | 0 | 0 | 117.3 | K818 | K818-E821 IonicContact NZ-OE2 3.73Å; K818-E821 PolarHBondContact NZ-OE2 2.88Å |
| 822 | E | 21.1 | Very low | 31.8 | Very low | 199 Ų | 199 | 140 Ų | 140 | 93% | 0.93 | 74% | 0.739 | S | S | * | * | | | trans | -135.1 | 143.1 | 160.6 | -161.4 | -176.7 | 124.5 | 0 | 0 | 112.1 | | |
| 823 | V | 36.4 | Very low | 31.4 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | | | trans | -166.1 | 151.9 | -179.2 | 63.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 824 | E | 27.4 | Very low | 31.2 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | | | trans | 164.4 | 165.9 | 156.9 | -95.5 | -89.6 | 87.6 | 0 | 0 | 110.2 | | |
| 825 | P | 53.8 | Low | 31.1 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 69% | 0.688 | 74% | 0.742 | S | S | * | * | | | cis | -134.5 | 161.7 | -6 | 36.8 | -17.5 | 0 | 0 | 0 | 118.8 | | |
| 826 | M | 31.9 | Very low | 31.3 | Very low | 142 Ų | 142 | 138 Ų | 138 | 70% | 0.7 | 74% | 0.737 | S | S | * | * | | | trans | 58.8 | 119.5 | 142.2 | -105.2 | 60 | 178.7 | 0 | 0 | 127.5 | | |
| 827 | D | 28.3 | Very low | 32.4 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | | | | 120.7 | 149.9 | 104.2 | -118.9 | -22.3 | 0 | 0 | 0 | 125.8 | | |
| 828 | I | 29.6 | Very low | 32.4 | Very low | 131 Ų | 131 | 135 Ų | 135 | 67% | 0.672 | 73% | 0.733 | S | S | * | * | | | trans | 75 | 99.8 | 149.6 | -78.8 | 154.7 | 0 | 0 | 0 | 124.5 | | |
| 829 | M | 29.1 | Very low | 32.2 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | | | | 65.7 | 118.4 | 128.4 | -63.4 | 178.9 | 30.4 | 0 | 0 | 127.8 | | |
| 830 | R | 28.4 | Very low | 32 | Very low | 209 Ų | 209 | 133.4 Ų | 133.4 | 79% | 0.789 | 74% | 0.744 | S | S | * | * | | | | 71.8 | 164.3 | 127.9 | -76 | -167.3 | 165.2 | 92.6 | -4.4 | 121.9 | | |
| 831 | P | 42.5 | Very low | 31.8 | Very low | 105 Ų | 105 | 133 Ų | 133 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | | | cis | -148.7 | 175.2 | -49.5 | 44.2 | -25.9 | 0 | 0 | 0 | 118.6 | | |
| 832 | V | 26.3 | Very low | 32 | Very low | 132 Ų | 132 | 134 Ų | 134 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | | | trans | 88.3 | 136.4 | 137.2 | 146.5 | 0 | 0 | 0 | 0 | 125.5 | | |
| 833 | S | 27 | Very low | 32.3 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | | | trans | 64.8 | 155 | 159 | -77.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 834 | A | 27.3 | Very low | 32.1 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | | | cis | -142.3 | -156 | 18 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 835 | V | 28.4 | Very low | 32.7 | Very low | 139 Ų | 139 | 128.9 Ų | 128.9 | 84% | 0.842 | 76% | 0.762 | S | S | * | * | | | trans | -116.8 | -155.7 | -164 | -141.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 836 | P | 39.7 | Very low | 31.2 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | | | trans | -118.9 | -139.4 | -142.4 | 44.4 | -22.7 | 0 | 0 | 0 | 112.2 | | |
| 837 | P | 50.4 | Low | 30.9 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | | | | -116.5 | 165.8 | -53.4 | 35.3 | -21.9 | 0 | 0 | 0 | 112.5 | | |
| 838 | L | 25.8 | Very low | 30.9 | Very low | 170 Ų | 170 | 127.6 Ų | 127.6 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | | | trans | -162.7 | 161.6 | 143.7 | -142.9 | 59.1 | 0 | 0 | 0 | 113.5 | | |
| 839 | A | 28.2 | Very low | 30.8 | Very low | 86 Ų | 86 | 129 Ų | 129 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | | | trans | -111.5 | 150 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 840 | T | 27.5 | Very low | 30.8 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | | | trans | -161.2 | 162.6 | 158.5 | 8.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 841 | N | 25.7 | Very low | 30.7 | Very low | 146 Ų | 146 | 123.8 Ų | 123.8 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | | | trans | -76.2 | 139.5 | -175.5 | -83.4 | -58.5 | 0 | 0 | 0 | 114.1 | V843 | N841-V843 PolarHBondContact O-N 2.89Š|
| 842 | T | 36.4 | Very low | 30.1 | Very low | 130 Ų | 130 | 125.3 Ų | 125.3 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | | | trans | -0.7 | 106.6 | 135.4 | -48.8 | 0 | 0 | 0 | 0 | 117 | | |
| 843 | V | 27.4 | Very low | 30.3 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | | | trans | -151.9 | 149.1 | 138 | -103.1 | 0 | 0 | 0 | 0 | 110.4 | N841 | N841-V843 PolarHBondContact O-N 2.89Š|
| 844 | S | 33.7 | Very low | 30.3 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | -67.7 | 174.8 | 174.9 | -43.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 845 | P | 39.3 | Very low | 30.3 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | | | cis | -147.8 | -158.6 | 22.2 | 39.5 | -14.9 | 0 | 0 | 0 | 116 | | |
| 846 | S | 22.4 | Very low | 30.4 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | | | trans | 58 | 110 | 154.3 | 47.2 | 0 | 0 | 0 | 0 | 118.9 | | |
| 847 | L | 26 | Very low | 30.4 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | | | | 92.1 | 124.1 | 72.5 | -95 | 174.3 | 0 | 0 | 0 | 115.1 | | |
| 848 | S | 27.6 | Very low | 29.5 | Very low | 96 Ų | 96 | 129.1 Ų | 129.1 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | | | trans | 95.6 | 158 | 152 | -40.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 849 | L | 26.8 | Very low | 29.8 | Very low | 160 Ų | 160 | 126 Ų | 126 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | | | trans | 71.3 | 140.8 | 177.8 | -75.3 | 68.6 | 0 | 0 | 0 | 115.3 | | |
| 850 | L | 30 | Very low | 29.7 | Very low | 163 Ų | 163 | 128.5 Ų | 128.5 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | cis | -141.4 | 163.8 | -5.1 | -162.4 | 66.6 | 0 | 0 | 0 | 110.9 | | |
| 851 | A | 26.2 | Very low | 30.1 | Very low | 75 Ų | 75 | 128.4 Ų | 128.4 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | | | trans | -99.5 | -177.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 852 | N | 30.6 | Very low | 30.6 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | 74.8 | 139.4 | 176.8 | -64.4 | -11 | 0 | 0 | 0 | 114.7 | | |
| 853 | N | 28.9 | Very low | 31 | Very low | 157 Ų | 157 | 127.1 Ų | 127.1 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | | | cis | -130.4 | 175 | 47 | -85.3 | -60.8 | 0 | 0 | 0 | 118.5 | | |
| 854 | L | 28.9 | Very low | 31.1 | Very low | 143 Ų | 143 | 123.9 Ų | 123.9 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | | | trans | -71.9 | 172.3 | -172.3 | -81.2 | 60.5 | 0 | 0 | 0 | 114.6 | | |
| 855 | S | 25.9 | Very low | 31.2 | Very low | 94 Ų | 94 | 123.7 Ų | 123.7 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | | | cis | 175.7 | 129.7 | -23.6 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 856 | M | 31.8 | Very low | 31.1 | Very low | 148 Ų | 148 | 123.7 Ų | 123.7 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | | | trans | 62.7 | 158.4 | 145.9 | -76.6 | -59.6 | -171.8 | 0 | 0 | 120.2 | T858 | M856-T858 HydrophobicContact CE-CG2 4.28Å; M856-T858 HydrophobicContact SD-CG2 3.84Å |
| 857 | P | 38.2 | Very low | 32.2 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | cis | -134.7 | 177.8 | 48.1 | 35.7 | -13.4 | 0 | 0 | 0 | 119.1 | | |
| 858 | T | 32 | Very low | 32.8 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 69% | 0.693 | 77% | 0.773 | S | S | * | * | | | trans | -131.9 | -177.7 | -175.1 | 46.1 | 0 | 0 | 0 | 0 | 109.5 | M856 | M856-T858 HydrophobicContact CE-CG2 4.28Å; M856-T858 HydrophobicContact SD-CG2 3.84Å |
| 859 | S | 32.7 | Very low | 33.4 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | cis | -148.8 | -151.5 | 19.2 | -144.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 860 | D | 26.3 | Very low | 34.3 | Very low | 139 Ų | 139 | 136 Ų | 136 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | cis | -149.3 | 145.4 | 12.3 | -167.4 | 29.4 | 0 | 0 | 0 | 113.9 | | |
| 861 | L | 34.8 | Very low | 35.2 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | -156.5 | 137.7 | 171.8 | -86.6 | 178.9 | 0 | 0 | 0 | 110.3 | | |
| 862 | P | 37.2 | Very low | 36.4 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 136.6 | -178.8 | 27.7 | -34 | 0 | 0 | 0 | 112.6 | | |
| 863 | P | 43.4 | Very low | 37 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 152 | -163.7 | -12.1 | 30.7 | 0 | 0 | 0 | 115.7 | | |
| 864 | G | 31 | Very low | 37.5 | Very low | 76 Ų | 76 | 145.4 Ų | 145.4 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 144.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 865 | A | 36.2 | Very low | 37.9 | Very low | 108 Ų | 108 | 146.9 Ų | 146.9 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 127.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 866 | S | 37.1 | Very low | 38.1 | Very low | 111 Ų | 111 | 150.7 Ų | 150.7 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 143.6 | 179.5 | -174.8 | 0 | 0 | 0 | 0 | 112.7 | R868 | S866-R868 PolarHBondContact O-N 2.88Š|
| 867 | P | 44.3 | Very low | 38.3 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77 | 122.8 | -174 | -11 | 27.7 | 0 | 0 | 0 | 112.8 | | |
| 868 | R | 39.3 | Very low | 38.1 | Very low | 242 Ų | 242 | 150.2 Ų | 150.2 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | | | trans | -129.8 | 112.4 | 173.5 | -148.9 | 176.6 | -165.2 | -163.3 | 5.8 | 112.7 | S866 | S866-R868 PolarHBondContact O-N 2.88Š|
| 869 | K | 39.1 | Very low | 38.2 | Very low | 208 Ų | 208 | 149.9 Ų | 149.9 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | | | trans | -81.5 | 129 | 172.3 | -68 | -179.2 | 178.7 | 178.3 | 0 | 111 | | |
| 870 | K | 47 | Very low | 38.5 | Very low | 193 Ų | 193 | 151 Ų | 151 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | | | trans | -143.9 | 134.4 | 144.1 | -80.8 | -161.1 | 175.4 | -173.4 | 0 | 108.9 | | |
| 871 | P | 47.9 | Very low | 39.2 | Very low | 133 Ų | 133 | 152.9 Ų | 152.9 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | | | trans | -78.7 | 125.2 | 176.9 | 31.1 | -32.4 | 0 | 0 | 0 | 110.5 | | |
| 872 | R | 51.8 | Low | 39.3 | Very low | 228 Ų | 228 | 155.4 Ų | 155.4 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | | | trans | -94.3 | 111.4 | 171.8 | -173.1 | 172.7 | -176.3 | 156.6 | 0.5 | 109 | Q874 | R872-Q874 PolarHBondContact O-N 3.43Š|
| 873 | K | 43.2 | Very low | 39.1 | Very low | 205 Ų | 205 | 153.3 Ų | 153.3 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | | | trans | -58.1 | 123.6 | 165.7 | -80.9 | -175 | 174.7 | -178 | 0 | 109.1 | | |
| 874 | Q | 39.7 | Very low | 38.6 | Very low | 162 Ų | 162 | 154.6 Ų | 154.6 | 76% | 0.757 | 82% | 0.823 | S | S | * | * | | | trans | -139.1 | 124.3 | 135.3 | -74.8 | -162.4 | -42.8 | 0 | 0 | 109.1 | R872 | R872-Q874 PolarHBondContact O-N 3.43Š|
| 875 | Q | 37.5 | Very low | 38.8 | Very low | 175 Ų | 175 | 158.8 Ų | 158.8 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | | | trans | 25.6 | 121.5 | 163.5 | -72.5 | 156 | -31.8 | 0 | 0 | 120.4 | | |
| 876 | H | 29.8 | Very low | 39 | Very low | 173 Ų | 173 | 161.1 Ų | 161.1 | 80% | 0.801 | 82% | 0.819 | S | S | * | * | | | trans | -57.6 | 132.9 | 142 | -84.9 | -130.3 | 0 | 0 | 0 | 109 | | |
| 877 | V | 35.7 | Very low | 38.9 | Very low | 124 Ų | 124 | 163.1 Ų | 163.1 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | | | trans | -116.3 | 125.9 | 142.7 | 175.9 | 0 | 0 | 0 | 0 | 105.5 | | |
| 878 | I | 33.9 | Very low | 38.3 | Very low | 140 Ų | 140 | 163.1 Ų | 163.1 | 72% | 0.718 | 81% | 0.813 | S | S | * | * | | | trans | -89.8 | 114.3 | 174.3 | -62 | 170.4 | 0 | 0 | 0 | 106.5 | | |
| 879 | S | 35.3 | Very low | 37.9 | Very low | 107 Ų | 107 | 159.8 Ų | 159.8 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | | | trans | -111.5 | 129.5 | 158.7 | -63.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 880 | T | 38.8 | Very low | 37.5 | Very low | 125 Ų | 125 | 155 Ų | 155 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | | | trans | -74.2 | 175.6 | 177.6 | 43.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 881 | E | 41 | Very low | 37 | Very low | 180 Ų | 180 | 152 Ų | 152 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -70.7 | -175.1 | -170.7 | 65.5 | -137.4 | 122.8 | 0 | 0 | 116.4 | | |
| 882 | E | 35.7 | Very low | 36.2 | Very low | 198 Ų | 198 | 151.9 Ų | 151.9 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | | | trans | 81.5 | 110.4 | -178.5 | -156.2 | 175.8 | 160.5 | 0 | 0 | 115.9 | | |
| 883 | G | 33.1 | Very low | 35.4 | Very low | 75 Ų | 75 | 148 Ų | 148 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -172.5 | 27.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 884 | D | 32.8 | Very low | 35 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | | | trans | 59.4 | 176 | 164.4 | -143.3 | -6.9 | 0 | 0 | 0 | 119.6 | | |
| 885 | M | 34.8 | Very low | 34.9 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | trans | -82.8 | 157.3 | -171.8 | -52.8 | 174.6 | -160.6 | 0 | 0 | 113.6 | | |
| 886 | M | 40.2 | Very low | 34.4 | Very low | 157 Ų | 157 | 144 Ų | 144 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | | -166.8 | 127.6 | 121.6 | -88.5 | -129.9 | 161.4 | 0 | 0 | 113.9 | | |
| 887 | E | 35.3 | Very low | 34.3 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | | | trans | 49.6 | 107.2 | 133.2 | -54.7 | -169.9 | 162.5 | 0 | 0 | 119.4 | | |
| 888 | T | 31.9 | Very low | 34 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | | 60.5 | 127.6 | 74.9 | 66.1 | 0 | 0 | 0 | 0 | 116 | S890 | T888-S890 PolarHBondContact O-N 3.46Š|
| 889 | N | 32.3 | Very low | 34 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | | | trans | -63.3 | 123.9 | 177.6 | -49.4 | -73.5 | 0 | 0 | 0 | 112.2 | | |
| 890 | S | 30.7 | Very low | 33.6 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | | | trans | -151 | 141.4 | 151 | -165.4 | 0 | 0 | 0 | 0 | 110.2 | T888 | T888-S890 PolarHBondContact O-N 3.46Š|
| 891 | T | 34.5 | Very low | 33.1 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | trans | -122 | 114 | 167.5 | -63.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 892 | D | 32.5 | Very low | 32.6 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | | | trans | -134.9 | 131.3 | 167.9 | -169.9 | 57.5 | 0 | 0 | 0 | 107.9 | | |
| 893 | D | 34.6 | Very low | 32.4 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | | | trans | -126.9 | 52.1 | -167.1 | -109.5 | -55.4 | 0 | 0 | 0 | 109.9 | K895 | D893-K895 PolarHBondContact O-N 3.47Š|
| 894 | E | 35.3 | Very low | 32.5 | Very low | 165 Ų | 165 | 148 Ų | 148 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | | | trans | -74.8 | 89.1 | 174.2 | -95.4 | -75.6 | 78.8 | 0 | 0 | 111.4 | | |
| 895 | K | 36.5 | Very low | 32.8 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 77% | 0.774 | 80% | 0.802 | S | S | * | * | | | trans | -75.2 | 125 | 169.5 | 80.6 | -165.9 | -175.7 | -52.3 | 0 | 110 | D893 | D893-K895 PolarHBondContact O-N 3.47Š|
| 896 | S | 26.7 | Very low | 32.6 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -129.8 | 129.1 | 163.4 | -171 | 0 | 0 | 0 | 0 | 110.3 | | |
| 897 | T | 29.1 | Very low | 32.3 | Very low | 141 Ų | 141 | 145 Ų | 145 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | | | trans | -127.5 | 97.1 | -177.5 | -58.4 | 0 | 0 | 0 | 0 | 109 | | |
| 898 | A | 29.9 | Very low | 32.8 | Very low | 95 Ų | 95 | 149.2 Ų | 149.2 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | trans | -151.8 | 142.6 | 165 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 899 | K | 33.2 | Very low | 32.9 | Very low | 213 Ų | 213 | 153.1 Ų | 153.1 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | | | trans | -77.2 | 152.9 | 177.7 | -54 | 167.8 | -176 | 177.4 | 0 | 109.8 | | |
| 900 | S | 26.3 | Very low | 33.3 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | trans | -134.8 | 156.5 | 152.1 | -165 | 0 | 0 | 0 | 0 | 109.8 | | |
| 901 | L | 29.1 | Very low | 34 | Very low | 149 Ų | 149 | 150.1 Ų | 150.1 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | | | trans | -135.1 | 148.6 | -166.2 | -142.8 | 170.7 | 0 | 0 | 0 | 108.2 | | |
| 902 | L | 29.6 | Very low | 34.9 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | 67.2 | 153.9 | -175.3 | -107.1 | 61.6 | 0 | 0 | 0 | 113.3 | | |
| 903 | V | 32.7 | Very low | 35.6 | Very low | 139 Ų | 139 | 153.6 Ų | 153.6 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | | | cis | -126.8 | 172.3 | 20.6 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 904 | K | 34.7 | Very low | 36.6 | Very low | 192 Ų | 192 | 152 Ų | 152 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | -99.6 | 140.6 | -166.2 | 174.8 | -173.5 | 179.6 | -175.9 | 0 | 114.3 | | |
| 905 | A | 39.4 | Very low | 37.5 | Very low | 91 Ų | 91 | 151.2 Ų | 151.2 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | trans | 64.2 | 158.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 906 | E | 29.8 | Very low | 38.5 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | | | cis | -155.2 | 167.4 | 27.9 | -153.7 | -152 | 115.5 | 0 | 0 | 114 | | |
| 907 | K | 34 | Very low | 40.3 | Very low | 180 Ų | 180 | 142.2 Ų | 142.2 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | | | trans | 62.7 | 129.7 | 160.7 | -103.1 | 177 | -165.7 | 100.2 | 0 | 121.4 | | |
| 908 | R | 45.2 | Very low | 41.9 | Very low | 241 Ų | 241 | 142.7 Ų | 142.7 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | | | trans | -57.9 | 148.8 | 173.9 | -57 | 168.2 | 178.1 | 150.9 | -2.4 | 113.4 | | |
| 909 | K | 34.8 | Very low | 43.4 | Very low | 210 Ų | 210 | 145.7 Ų | 145.7 | 91% | 0.913 | 73% | 0.731 | S | S | * | * | | | | -148.9 | 119.2 | 129 | -103.8 | 142.8 | -174.1 | 175 | 0 | 109.8 | | |
| 910 | S | 40.1 | Very low | 44.8 | Very low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 164.8 | 168.8 | 49.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 911 | P | 45.9 | Very low | 46.5 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 75% | 0.747 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 145.6 | 172.8 | -27.6 | 36.2 | 0 | 0 | 0 | 112.3 | K913 | P911-K913 PolarHBondContact O-N 3.03Š|
| 912 | P | 53.9 | Low | 48 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 84% | 0.838 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 137.4 | 175.2 | -24.3 | 34.8 | 0 | 0 | 0 | 111.3 | E914 | P912-E914 PolarHBondContact O-N 2.96Š|
| 913 | K | 46.9 | Very low | 49.5 | Very low | 204 Ų | 204 | 135.2 Ų | 135.2 | 89% | 0.887 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -75 | 123.7 | 179 | -168.3 | 151 | -178.6 | 175.4 | 0 | 109.2 | P911 Y915 | P911-K913 PolarHBondContact O-N 3.03Å; K913-Y915 PolarHBondContact O-N 3.47Å |
| 914 | E | 55.3 | Low | 50.9 | Low | 114 Ų | 114 | 133.3 Ų | 133.3 | 53% | 0.533 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 131.8 | 164.6 | -67 | -171 | -175.3 | 0 | 0 | 108.4 | P912 R922 | P912-E914 PolarHBondContact O-N 2.96Å; E914-R922 VanDerWaalsContact CD-NH1 3.32Å; E914-R922 IonicContact OE1-NH1 3.54Å; E914-R922 PolarHBondContact OE1-NH1 3.15Å; E914-R922 IonicContact OE2-CZ 2.7Å; E914-R922 IonicContact OE2-NH1 2.64Å; E914-R922 PolarHBondContact OE2-NH1 3.25Å |
| 915 | Y | 53.8 | Low | 52 | Low | 147 Ų | 147 | 129.9 Ų | 129.9 | 58% | 0.576 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 125.4 | 166.9 | -160.6 | -84.7 | 0 | 0 | 0 | 107.9 | K913 E918 Y923 | K913-Y915 PolarHBondContact O-N 3.47Å; Y915-E918 PolarHBondContact OH-OE1 3Å; Y915-Y923 PolarHBondContact O-N 2.67Å |
| 916 | I | 58.4 | Low | 52.8 | Low | 80 Ų | 80 | 131.6 Ų | 131.6 | 41% | 0.41 | 66% | 0.657 | S | S | . | * | B | Isolated β-bridge | trans | -105.7 | 129.2 | 168 | -55 | 97 | 0 | 0 | 0 | 104.6 | G920 V921 R922 | I916-G920 WeakPolarHBondContact CG2-O 3.37Å; I916-V921 WeakPolarHBondContact CA-O 3.26Å; I916-R922 HydrophobicContact CG1-CB 4.47Å; I916-R922 HydrophobicContact CG1-CG 3.69Å; I916-R922 HydrophobicContact CG2-CG 4.34Å |
| 917 | D | 64.1 | Low | 54.3 | Low | 24 Ų | 24 | 135.6 Ų | 135.6 | 13% | 0.128 | 67% | 0.666 | C | S | . | * | | | trans | -72.9 | 174.4 | 175 | 68.9 | 7 | 0 | 0 | 0 | 112.2 | E919 G920 V921 Y923 | D917-E919 PolarHBondContact O-N 2.72Å; D917-E919 PolarHBondContact OD1-N 2.94Å; D917-G920 PolarHBondContact O-N 3.27Å; D917-G920 PolarHBondContact OD1-N 3.05Å; D917-V921 PolarHBondContact N-O 2.92Å; D917-V921 WeakPolarHBondContact OD1-CA 3.45Å; D917-V921 WeakPolarHBondContact OD1-CB 3.34Å; D917-V921 PolarHBondContact OD1-N 3.06Å; D917-Y923 HydrophobicContact CB-CD2 4.27Å; D917-Y923 HydrophobicContact CB-CE2 3.8Å; D917-Y923 WeakPolarHBondContact OD2-CE2 3.41Å; D917-Y923 PolarHBondContact OD2-OH 3.23Å |
| 918 | E | 62.3 | Low | 55.5 | Low | 151 Ų | 151 | 132.5 Ų | 132.5 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -23 | -173 | -27.6 | -52.7 | 131 | 0 | 0 | 111.4 | Y915 | Y915-E918 PolarHBondContact OH-OE1 3Š|
| 919 | E | 62.3 | Low | 55.9 | Low | 159 Ų | 159 | 132.3 Ų | 132.3 | 74% | 0.743 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -5.7 | 170.4 | -78.7 | 67.8 | -152.1 | 0 | 0 | 114.6 | D917 | D917-E919 PolarHBondContact O-N 2.72Å; D917-E919 PolarHBondContact OD1-N 2.94Å |
| 920 | G | 62.9 | Low | 57 | Low | 50 Ų | 50 | 127.6 Ų | 127.6 | 52% | 0.515 | 65% | 0.654 | S | S | . | * | S | Bend | trans | 90.5 | 7.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | I916 D917 | I916-G920 WeakPolarHBondContact CG2-O 3.37Å; D917-G920 PolarHBondContact O-N 3.27Å; D917-G920 PolarHBondContact OD1-N 3.05Å |
| 921 | V | 61.1 | Low | 57.7 | Low | 72 Ų | 72 | 128 Ų | 128 | 44% | 0.436 | 66% | 0.655 | S | S | . | * | | | trans | -81.2 | 123.5 | 178.6 | -173.1 | 0 | 0 | 0 | 0 | 110.1 | I916 D917 Y923 | I916-V921 WeakPolarHBondContact CA-O 3.26Å; D917-V921 PolarHBondContact N-O 2.92Å; D917-V921 WeakPolarHBondContact OD1-CA 3.45Å; D917-V921 WeakPolarHBondContact OD1-CB 3.34Å; D917-V921 PolarHBondContact OD1-N 3.06Å; V921-Y923 HydrophobicContact CG1-CE1 4.18Å; V921-Y923 PolarHBondContact O-N 3.27Å |
| 922 | R | 60.1 | Low | 58.3 | Low | 150 Ų | 150 | 130.2 Ų | 130.2 | 57% | 0.566 | 66% | 0.659 | S | S | * | * | B | Isolated β-bridge | trans | -83.3 | 98.5 | 177.5 | -55.2 | -154.1 | -70.8 | 148 | -2.8 | 110.7 | E914 I916 V924 | E914-R922 VanDerWaalsContact CD-NH1 3.32Å; E914-R922 IonicContact OE1-NH1 3.54Å; E914-R922 PolarHBondContact OE1-NH1 3.15Å; E914-R922 IonicContact OE2-CZ 2.7Å; E914-R922 IonicContact OE2-NH1 2.64Å; E914-R922 PolarHBondContact OE2-NH1 3.25Å; I916-R922 HydrophobicContact CG1-CB 4.47Å; I916-R922 HydrophobicContact CG1-CG 3.69Å; I916-R922 HydrophobicContact CG2-CG 4.34Å; R922-V924 VanDerWaalsContact C-N 3.34Å; R922-V924 PolarHBondContact O-N 3.35Å |
| 923 | Y | 60.9 | Low | 58.7 | Low | 145 Ų | 145 | 127.2 Ų | 127.2 | 57% | 0.569 | 64% | 0.638 | S | S | * | * | | | trans | -74.1 | 86.8 | 173.9 | -69 | -62.8 | 0 | 0 | 0 | 111.4 | Y915 D917 V921 P925 | Y915-Y923 PolarHBondContact O-N 2.67Å; D917-Y923 HydrophobicContact CB-CD2 4.27Å; D917-Y923 HydrophobicContact CB-CE2 3.8Å; D917-Y923 WeakPolarHBondContact OD2-CE2 3.41Å; D917-Y923 PolarHBondContact OD2-OH 3.23Å; V921-Y923 HydrophobicContact CG1-CE1 4.18Å; V921-Y923 PolarHBondContact O-N 3.27Å; Y923-P925 VanDerWaalsContact O-CD 3.24Å; Y923-P925 WeakPolarHBondContact O-CD 3.38Å |
| 924 | V | 63.7 | Low | 59.3 | Low | 99 Ų | 99 | 125 Ų | 125 | 60% | 0.6 | 64% | 0.635 | S | S | * | * | | | trans | -70 | 118 | 161.8 | 179.6 | 0 | 0 | 0 | 0 | 108 | R922 V926 | R922-V924 VanDerWaalsContact C-N 3.34Å; R922-V924 PolarHBondContact O-N 3.35Å; V924-V926 PolarHBondContact O-N 3.22Å |
| 925 | P | 57.4 | Low | 59.6 | Low | 121 Ų | 121 | 127.9 Ų | 127.9 | 79% | 0.786 | 65% | 0.653 | S | S | * | * | | | trans | -70.4 | 96.8 | 177.7 | -18.3 | 33.8 | 0 | 0 | 0 | 109.7 | Y923 R927 | Y923-P925 VanDerWaalsContact O-CD 3.24Å; Y923-P925 WeakPolarHBondContact O-CD 3.38Å; P925-R927 VanDerWaalsContact C-N 3.28Å; P925-R927 PolarHBondContact O-N 3.08Å |
| 926 | V | 54.8 | Low | 59.4 | Low | 127 Ų | 127 | 131.5 Ų | 131.5 | 77% | 0.77 | 67% | 0.666 | S | S | * | * | | | trans | -68.2 | 87.3 | 179.6 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | V924 P928 | V924-V926 PolarHBondContact O-N 3.22Å; V926-P928 VanDerWaalsContact O-CD 3.25Å; V926-P928 WeakPolarHBondContact O-CD 3.41Å; V926-P928 VanDerWaalsContact O-N 3.16Å |
| 927 | R | 61.8 | Low | 59.1 | Low | 227 Ų | 227 | 134.6 Ų | 134.6 | 86% | 0.857 | 68% | 0.678 | S | S | * | * | | | trans | -59.1 | 115.7 | -179.1 | -167.1 | 176 | -166.1 | 164.2 | 4.8 | 109.3 | P925 R929 | P925-R927 VanDerWaalsContact C-N 3.28Å; P925-R927 PolarHBondContact O-N 3.08Å; R927-R929 PolarHBondContact O-N 3.43Å |
| 928 | P | 58.9 | Low | 58.3 | Low | 116 Ų | 116 | 143.1 Ų | 143.1 | 75% | 0.753 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 126.2 | -176 | -26.7 | 35.6 | 0 | 0 | 0 | 111.1 | V926 | V926-P928 VanDerWaalsContact O-CD 3.25Å; V926-P928 WeakPolarHBondContact O-CD 3.41Å; V926-P928 VanDerWaalsContact O-N 3.16Å |
| 929 | R | 54.7 | Low | 57.8 | Low | 237 Ų | 237 | 146 Ų | 146 | 89% | 0.894 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 131.9 | 172.6 | -82.7 | -175.8 | 170.2 | 159.9 | -1.7 | 109 | R927 | R927-R929 PolarHBondContact O-N 3.43Š|
| 930 | P | 56.8 | Low | 57.4 | Low | 110 Ų | 110 | 141 Ų | 141 | 71% | 0.714 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 145.2 | 174.6 | -25.6 | 34.8 | 0 | 0 | 0 | 111.9 | I932 | P930-I932 PolarHBondContact O-N 3.09Š|
| 931 | P | 56.3 | Low | 57.1 | Low | 112 Ų | 112 | 143.7 Ų | 143.7 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 127.4 | -178.9 | 25.9 | -34.1 | 0 | 0 | 0 | 111.2 | T933 | P931-T933 PolarHBondContact O-N 3.12Š|
| 932 | I | 58.7 | Low | 56.7 | Low | 160 Ų | 160 | 149.6 Ų | 149.6 | 82% | 0.821 | 72% | 0.716 | S | S | * | * | | | trans | -75.7 | 93.5 | -178.9 | -57.2 | 175.4 | 0 | 0 | 0 | 108.9 | P930 | P930-I932 PolarHBondContact O-N 3.09Š|
| 933 | T | 61.4 | Low | 56.4 | Low | 66 Ų | 66 | 150.7 Ų | 150.7 | 41% | 0.405 | 73% | 0.725 | S | S | . | * | | | trans | -85.7 | 117.5 | 175.2 | 65.8 | 0 | 0 | 0 | 0 | 110.9 | P931 L935 | P931-T933 PolarHBondContact O-N 3.12Å; T933-L935 PolarHBondContact O-N 2.89Å |
| 934 | L | 58.7 | Low | 55.9 | Low | 159 Ų | 159 | 146.3 Ų | 146.3 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -25.5 | 177.9 | -64.5 | 174.4 | 0 | 0 | 0 | 112.7 | | |
| 935 | L | 61.6 | Low | 55.4 | Low | 173 Ų | 173 | 143.3 Ų | 143.3 | 91% | 0.906 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -14.2 | -165.9 | -154.8 | 67.8 | 0 | 0 | 0 | 115.4 | T933 | T933-L935 PolarHBondContact O-N 2.89Š|
| 936 | R | 50.3 | Low | 55.2 | Low | 224 Ų | 224 | 146 Ų | 146 | 85% | 0.845 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | -6.3 | 177.5 | -82.3 | -170.4 | 172.7 | -175.5 | -0.8 | 115 | | |
| 937 | H | 52.3 | Low | 55.4 | Low | 145 Ų | 145 | 147.9 Ų | 147.9 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | | | trans | -126.4 | 23.6 | -172.3 | -66.7 | -25 | 0 | 0 | 0 | 115.3 | R939 | H937-R939 PolarHBondContact O-N 3.05Š|
| 938 | Y | 48.3 | Very low | 55.6 | Low | 202 Ų | 202 | 143.6 Ų | 143.6 | 79% | 0.792 | 69% | 0.689 | S | S | * | * | | | trans | -73.3 | 41.1 | 160.4 | -150.2 | -92.5 | 0 | 0 | 0 | 112.8 | N940 | Y938-N940 VanDerWaalsContact C-N 3.26Å; Y938-N940 PolarHBondContact O-N 2.79Å; Y938-N940 VanDerWaalsContact O-N 3.17Å |
| 939 | R | 51.8 | Low | 56.2 | Low | 212 Ų | 212 | 144.3 Ų | 144.3 | 80% | 0.8 | 68% | 0.68 | S | S | * | * | | | trans | -83.7 | 80.6 | 161.3 | -168.6 | -178.7 | -165.6 | -163.4 | 4.2 | 106.4 | H937 P941 | H937-R939 PolarHBondContact O-N 3.05Å; R939-P941 VanDerWaalsContact O-N 3.08Å |
| 940 | N | 52.6 | Low | 56.9 | Low | 55 Ų | 55 | 140.2 Ų | 140.2 | 29% | 0.294 | 67% | 0.671 | S | S | . | * | | | trans | -38.8 | 114.3 | -175.4 | -176.7 | 6.8 | 0 | 0 | 0 | 110.6 | Y938 W942 | Y938-N940 VanDerWaalsContact C-N 3.26Å; Y938-N940 PolarHBondContact O-N 2.79Å; Y938-N940 VanDerWaalsContact O-N 3.17Å; N940-W942 PolarHBondContact O-N 2.71Å |
| 941 | P | 56 | Low | 57.7 | Low | 105 Ų | 105 | 143.6 Ų | 143.6 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | | | trans | -80.9 | 49.7 | -164.4 | 32.5 | -37.2 | 0 | 0 | 0 | 113 | R939 K943 | R939-P941 VanDerWaalsContact O-N 3.08Å; P941-K943 PolarHBondContact O-N 2.96Å |
| 942 | W | 53.2 | Low | 58 | Low | 197 Ų | 197 | 147.7 Ų | 147.7 | 75% | 0.746 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 54.2 | -9.5 | 166.9 | -63.7 | 82.1 | 0 | 0 | 0 | 118.9 | N940 | N940-W942 PolarHBondContact O-N 2.71Š|
| 943 | K | 54.6 | Low | 58.6 | Low | 173 Ų | 173 | 143.8 Ų | 143.8 | 75% | 0.752 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -86.2 | -34.6 | 176.4 | -68.2 | -155.2 | 170.5 | -166.9 | 0 | 114.2 | P941 A945 Y946 | P941-K943 PolarHBondContact O-N 2.96Å; K943-A945 PolarHBondContact O-N 2.72Å; K943-Y946 HydrophobicContact CB-CD2 4.46Å; K943-Y946 HydrophobicContact CG-CE2 4.24Å; K943-Y946 WeakPolarHBondContact O-CD2 3.14Å; K943-Y946 PolarHBondContact O-N 3.12Å |
| 944 | A | 50.8 | Low | 59.2 | Low | 53 Ų | 53 | 143.9 Ų | 143.9 | 44% | 0.438 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -65.4 | -22.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H948 | A944-H948 PolarHBondContact O-ND1 3.16Š|
| 945 | A | 52.3 | Low | 59.8 | Low | 35 Ų | 35 | 140.4 Ų | 140.4 | 29% | 0.289 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -74.1 | -18.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K943 H947 H948 | K943-A945 PolarHBondContact O-N 2.72Å; A945-H947 PolarHBondContact O-N 2.92Å; A945-H947 VanDerWaalsContact O-N 3.09Å; A945-H948 PolarHBondContact O-N 3.33Å |
| 946 | Y | 54.2 | Low | 60.5 | Low | 179 Ų | 179 | 141.7 Ų | 141.7 | 70% | 0.702 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -60.5 | -23.8 | -178 | -79.4 | -65.9 | 0 | 0 | 0 | 114.2 | K943 | K943-Y946 HydrophobicContact CB-CD2 4.46Å; K943-Y946 HydrophobicContact CG-CE2 4.24Å; K943-Y946 WeakPolarHBondContact O-CD2 3.14Å; K943-Y946 PolarHBondContact O-N 3.12Å |
| 947 | H | 58.6 | Low | 61.7 | Low | 165 Ų | 165 | 137.6 Ų | 137.6 | 76% | 0.764 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -126.8 | 5.2 | 177.1 | -58 | -15.1 | 0 | 0 | 0 | 113 | A945 | A945-H947 PolarHBondContact O-N 2.92Å; A945-H947 VanDerWaalsContact O-N 3.09Å |
| 948 | H | 66 | Low | 62.7 | Low | 138 Ų | 138 | 139.8 Ų | 139.8 | 64% | 0.639 | 64% | 0.642 | S | S | * | * | | | trans | -99.4 | 103 | 172.7 | -83.3 | 82.3 | 0 | 0 | 0 | 110 | A944 A945 Q950 | A944-H948 PolarHBondContact O-ND1 3.16Å; A945-H948 PolarHBondContact O-N 3.33Å; H948-Q950 PolarHBondContact O-N 3.05Å; H948-Q950 VanDerWaalsContact O-N 3.15Å |
| 949 | F | 71.3 | Confident | 63.6 | Low | 131 Ų | 131 | 138 Ų | 138 | 58% | 0.575 | 64% | 0.641 | S | S | * | * | | | trans | -62.7 | 111.8 | 170.6 | -56.1 | -75.1 | 0 | 0 | 0 | 109.4 | R951 D954 V955 | F949-R951 VanDerWaalsContact C-N 3.28Å; F949-R951 PolarHBondContact O-N 2.86Å; F949-D954 HydrophobicContact CB-CB 4.12Å; F949-D954 VanDerWaalsContact CD1-C 3.41Å; F949-D954 HydrophobicContact CD1-CB 3.87Å; F949-D954 WeakPolarHBondContact CD1-O 3.37Å; F949-D954 WeakPolarHBondContact CE1-O 3.33Å; F949-V955 HydrophobicContact CB-CG2 3.73Å; F949-V955 HydrophobicContact CD1-CB 4.44Å; F949-V955 HydrophobicContact CD1-CG2 3.73Å; F949-V955 HydrophobicContact CD2-CG2 3.54Å; F949-V955 HydrophobicContact CE1-CG2 4.18Å; F949-V955 HydrophobicContact CE2-CG2 4.02Å; F949-V955 HydrophobicContact CG-CG2 3.36Å; F949-V955 HydrophobicContact CZ-CG2 4.31Å |
| 950 | Q | 69.3 | Low | 64.1 | Low | 151 Ų | 151 | 136.3 Ų | 136.3 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -77.9 | -20.3 | -173.7 | -163.4 | 67.5 | 83.5 | 0 | 0 | 111.5 | H948 D954 | H948-Q950 PolarHBondContact O-N 3.05Å; H948-Q950 VanDerWaalsContact O-N 3.15Å; Q950-D954 PolarHBondContact N-OD2 3.4Å |
| 951 | R | 74.4 | Confident | 65.2 | Low | 180 Ų | 180 | 142.4 Ų | 142.4 | 68% | 0.679 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -141 | 154.6 | 176.4 | -51.9 | 175.3 | 179.7 | -136.5 | -4.8 | 109.8 | F949 S953 D954 | F949-R951 VanDerWaalsContact C-N 3.28Å; F949-R951 PolarHBondContact O-N 2.86Å; R951-S953 VanDerWaalsContact CB-OG 3.31Å; R951-S953 WeakPolarHBondContact CB-OG 3.37Å; R951-S953 PolarHBondContact O-N 3.11Å; R951-S953 VanDerWaalsContact O-N 3.1Å; R951-D954 PolarHBondContact N-OD2 3.29Å; R951-D954 WeakPolarHBondContact O-CB 3.44Å; R951-D954 VanDerWaalsContact O-CG 3.27Å; R951-D954 PolarHBondContact O-N 3.11Å |
| 952 | Y | 62.5 | Low | 66.1 | Low | 199 Ų | 199 | 146.3 Ų | 146.3 | 78% | 0.78 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -22.7 | 174.4 | -61 | -81.2 | 0 | 0 | 0 | 114 | D954 | Y952-D954 PolarHBondContact O-N 2.87Š|
| 953 | S | 71.3 | Confident | 67.2 | Low | 78 Ų | 78 | 139.1 Ų | 139.1 | 55% | 0.545 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.3 | -21.7 | 173.5 | 47.5 | 0 | 0 | 0 | 0 | 114.4 | R951 | R951-S953 VanDerWaalsContact CB-OG 3.31Å; R951-S953 WeakPolarHBondContact CB-OG 3.37Å; R951-S953 PolarHBondContact O-N 3.11Å; R951-S953 VanDerWaalsContact O-N 3.1Å |
| 954 | D | 72.2 | Confident | 68.8 | Low | 67 Ų | 67 | 136.3 Ų | 136.3 | 36% | 0.358 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.8 | -23.6 | -170.4 | -46.7 | -13.8 | 0 | 0 | 0 | 109.7 | F949 Q950 R951 Y952 R956 | F949-D954 HydrophobicContact CB-CB 4.12Å; F949-D954 VanDerWaalsContact CD1-C 3.41Å; F949-D954 HydrophobicContact CD1-CB 3.87Å; F949-D954 WeakPolarHBondContact CD1-O 3.37Å; F949-D954 WeakPolarHBondContact CE1-O 3.33Å; Q950-D954 PolarHBondContact N-OD2 3.4Å; R951-D954 PolarHBondContact N-OD2 3.29Å; R951-D954 WeakPolarHBondContact O-CB 3.44Å; R951-D954 VanDerWaalsContact O-CG 3.27Å; R951-D954 PolarHBondContact O-N 3.11Å; Y952-D954 PolarHBondContact O-N 2.87Å; D954-R956 PolarHBondContact O-N 3.27Å |
| 955 | V | 71.6 | Confident | 70.5 | Confident | 87 Ų | 87 | 137.3 Ų | 137.3 | 53% | 0.527 | 64% | 0.643 | S | S | . | * | | | trans | -75.1 | 76.4 | 164.3 | -171.3 | 0 | 0 | 0 | 0 | 109.1 | F949 | F949-V955 HydrophobicContact CB-CG2 3.73Å; F949-V955 HydrophobicContact CD1-CB 4.44Å; F949-V955 HydrophobicContact CD1-CG2 3.73Å; F949-V955 HydrophobicContact CD2-CG2 3.54Å; F949-V955 HydrophobicContact CE1-CG2 4.18Å; F949-V955 HydrophobicContact CE2-CG2 4.02Å; F949-V955 HydrophobicContact CG-CG2 3.36Å; F949-V955 HydrophobicContact CZ-CG2 4.31Å |
| 956 | R | 76.4 | Confident | 72.3 | Confident | 199 Ų | 199 | 138.8 Ų | 138.8 | 75% | 0.751 | 65% | 0.645 | S | S | * | * | | | trans | -80 | 140.5 | 161.6 | -64.8 | -178.4 | 63.9 | 172 | -2.7 | 108.4 | D954 K958 | D954-R956 PolarHBondContact O-N 3.27Å; R956-K958 PolarHBondContact O-N 2.95Å |
| 957 | V | 75.5 | Confident | 74 | Confident | 138 Ų | 138 | 135.2 Ų | 135.2 | 84% | 0.836 | 63% | 0.634 | S | S | * | * | | | trans | -55 | 119.3 | 164.6 | 176.1 | 0 | 0 | 0 | 0 | 106.7 | E959 | V957-E959 PolarHBondContact O-N 3.3Š|
| 958 | K | 72.9 | Confident | 75.5 | Confident | 192 Ų | 192 | 130.1 Ų | 130.1 | 84% | 0.835 | 61% | 0.612 | S | S | * | * | | | trans | -63.2 | 106.7 | 176.6 | 179.7 | -177.8 | 178 | -176 | 0 | 106.9 | R956 E960 | R956-K958 PolarHBondContact O-N 2.95Å; K958-E960 PolarHBondContact O-N 2.68Å |
| 959 | E | 67.8 | Low | 76.6 | Confident | 164 Ų | 164 | 124.1 Ų | 124.1 | 77% | 0.766 | 59% | 0.586 | S | S | * | * | | | trans | -54.4 | 118.4 | 171.1 | -74.3 | -177.5 | 173.5 | 0 | 0 | 107.8 | V957 K961 | V957-E959 PolarHBondContact O-N 3.3Å; E959-K961 VanDerWaalsContact C-N 3.25Å; E959-K961 PolarHBondContact O-N 3.17Å |
| 960 | E | 61.9 | Low | 77.5 | Confident | 177 Ų | 177 | 121.3 Ų | 121.3 | 83% | 0.827 | 58% | 0.577 | S | S | * | * | | | trans | -70.4 | 91.9 | 177.2 | -170.9 | 176.7 | -131.5 | 0 | 0 | 107.5 | K958 K962 | K958-E960 PolarHBondContact O-N 2.68Å; E960-K962 VanDerWaalsContact C-N 3.26Å; E960-K962 PolarHBondContact O-N 3.34Å |
| 961 | K | 75.8 | Confident | 78.5 | Confident | 182 Ų | 182 | 118.1 Ų | 118.1 | 79% | 0.791 | 56% | 0.562 | S | S | * | * | | | trans | -58.7 | 93.5 | 174.2 | -177.6 | -177.7 | 179.9 | -178 | 0 | 107.5 | E959 A963 | E959-K961 VanDerWaalsContact C-N 3.25Å; E959-K961 PolarHBondContact O-N 3.17Å; K961-A963 PolarHBondContact O-N 3.05Å |
| 962 | K | 75.4 | Confident | 79.3 | Confident | 188 Ų | 188 | 119.2 Ų | 119.2 | 82% | 0.817 | 57% | 0.572 | S | S | * | * | | | trans | -43.2 | 114.5 | -176.8 | -67.6 | 179.3 | 178.6 | 177.2 | 0 | 108.9 | E960 M964 | E960-K962 VanDerWaalsContact C-N 3.26Å; E960-K962 PolarHBondContact O-N 3.34Å; K962-M964 PolarHBondContact O-N 3.15Å; K962-M964 VanDerWaalsContact O-N 3.15Å |
| 963 | A | 76.2 | Confident | 80.5 | Confident | 46 Ų | 46 | 111.5 Ų | 111.5 | 38% | 0.38 | 55% | 0.553 | S | S | . | * | | | trans | -49.1 | 124.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | K961 E967 I968 | K961-A963 PolarHBondContact O-N 3.05Å; A963-E967 WeakPolarHBondContact CA-OE2 3.48Å; A963-I968 HydrophobicContact CB-CD1 4.18Å; A963-I968 HydrophobicContact CB-CG1 3.9Å; A963-I968 WeakPolarHBondContact O-CD1 3.41Å |
| 964 | M | 87.5 | Confident | 81.5 | Confident | 114 Ų | 114 | 108.7 Ų | 108.7 | 56% | 0.562 | 53% | 0.532 | S | S | * | . | | | trans | -63.8 | 146.1 | -167.5 | -166 | -175.1 | -68.8 | 0 | 0 | 109.1 | K962 Q966 E967 I968 | K962-M964 PolarHBondContact O-N 3.15Å; K962-M964 VanDerWaalsContact O-N 3.15Å; M964-Q966 HydrophobicContact CB-CB 4.43Å; M964-Q966 HydrophobicContact CG-CB 3.99Å; M964-Q966 PolarHBondContact O-N 3.35Å; M964-Q966 HydrophobicContact SD-CB 3.75Å; M964-Q966 HydrophobicContact SD-CG 4.47Å; M964-E967 HydrophobicContact CB-CB 4.01Å; M964-E967 PolarHBondContact N-OE2 2.93Å; M964-E967 WeakPolarHBondContact O-CA 3.2Å; M964-E967 VanDerWaalsContact O-CB 3.26Å; M964-E967 WeakPolarHBondContact O-CB 3.4Å; M964-E967 PolarHBondContact O-N 2.77Å; M964-I968 PolarHBondContact O-N 3.09Å |
| 965 | L | 88.3 | Confident | 82.3 | Confident | 73 Ų | 73 | 108.3 Ų | 108.3 | 38% | 0.382 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -55.2 | -32.6 | 176.4 | -177 | 59.2 | 0 | 0 | 0 | 111.9 | A969 N1068 | L965-A969 WeakPolarHBondContact O-CB 3.22Å; L965-A969 PolarHBondContact O-N 3.42Å; L965-N1068 HydrophobicContact CD2-CB 4.39Å; L965-N1068 WeakPolarHBondContact CD2-OD1 3.4Å; L965-N1068 HydrophobicContact CG-CB 3.95Å |
| 966 | Q | 88.8 | Confident | 83.1 | Confident | 67 Ų | 67 | 107.7 Ų | 107.7 | 31% | 0.313 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 169.6 | -179.6 | 57.3 | 76.4 | 0 | 0 | 114.1 | M964 N970 N1068 | M964-Q966 HydrophobicContact CB-CB 4.43Å; M964-Q966 HydrophobicContact CG-CB 3.99Å; M964-Q966 PolarHBondContact O-N 3.35Å; M964-Q966 HydrophobicContact SD-CB 3.75Å; M964-Q966 HydrophobicContact SD-CG 4.47Å; Q966-N970 PolarHBondContact NE2-ND2 3.5Å; Q966-N970 PolarHBondContact NE2-OD1 3.04Å; Q966-N970 WeakPolarHBondContact O-CB 3.45Å; Q966-N970 PolarHBondContact O-N 2.8Å; Q966-N970 VanDerWaalsContact O-N 3.12Å; Q966-N970 PolarHBondContact O-ND2 2.93Å; Q966-N970 VanDerWaalsContact O-ND2 3.12Å; Q966-N1068 PolarHBondContact NE2-O 3.04Å; Q966-N1068 PolarHBondContact OE1-O 3.09Å |
| 967 | E | 89.5 | Confident | 83.8 | Confident | 104 Ų | 104 | 103.8 Ų | 103.8 | 49% | 0.486 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.7 | -48.2 | 179.7 | -176.9 | -169.9 | 164.6 | 0 | 0 | 110.4 | A963 M964 A969 N970 Q971 | A963-E967 WeakPolarHBondContact CA-OE2 3.48Å; M964-E967 HydrophobicContact CB-CB 4.01Å; M964-E967 PolarHBondContact N-OE2 2.93Å; M964-E967 WeakPolarHBondContact O-CA 3.2Å; M964-E967 VanDerWaalsContact O-CB 3.26Å; M964-E967 WeakPolarHBondContact O-CB 3.4Å; M964-E967 PolarHBondContact O-N 2.77Å; E967-A969 VanDerWaalsContact C-N 3.33Å; E967-A969 PolarHBondContact O-N 3.32Å; E967-N970 PolarHBondContact O-N 2.99Å; E967-N970 VanDerWaalsContact O-N 3.08Å; E967-Q971 PolarHBondContact O-N 3.38Å |
| 968 | I | 90.5 | Very high | 84.6 | Confident | 58 Ų | 58 | 98.3 Ų | 98.3 | 30% | 0.297 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.7 | -47.7 | 174.2 | -62.1 | 171.7 | 0 | 0 | 0 | 110.2 | A963 M964 N970 Q971 V974 L1065 | A963-I968 HydrophobicContact CB-CD1 4.18Å; A963-I968 HydrophobicContact CB-CG1 3.9Å; A963-I968 WeakPolarHBondContact O-CD1 3.41Å; M964-I968 PolarHBondContact O-N 3.09Å; I968-N970 VanDerWaalsContact C-N 3.27Å; I968-N970 PolarHBondContact O-N 2.81Å; I968-Q971 WeakPolarHBondContact O-CB 3.42Å; I968-Q971 WeakPolarHBondContact O-CG 3.36Å; I968-Q971 PolarHBondContact O-N 3.44Å; I968-Q971 VanDerWaalsContact O-N 3.15Å; I968-V974 HydrophobicContact CG2-CG2 4.2Å; I968-L1065 HydrophobicContact CG2-CD2 4.07Å |
| 969 | A | 89.9 | Confident | 85.6 | Confident | 12 Ų | 12 | 93.6 Ų | 93.6 | 10% | 0.099 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -64.8 | -27 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | L965 E967 L1065 N1068 | L965-A969 WeakPolarHBondContact O-CB 3.22Å; L965-A969 PolarHBondContact O-N 3.42Å; E967-A969 VanDerWaalsContact C-N 3.33Å; E967-A969 PolarHBondContact O-N 3.32Å; A969-L1065 HydrophobicContact CB-CD2 4.13Å; A969-N1068 VanDerWaalsContact CB-C 3.43Å; A969-N1068 HydrophobicContact CB-CB 3.9Å; A969-N1068 WeakPolarHBondContact CB-O 3.36Å |
| 970 | N | 89.9 | Confident | 86.9 | Confident | 72 Ų | 72 | 86.1 Ų | 86.1 | 39% | 0.385 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -80.5 | -13.1 | 175.1 | -76.4 | -21.7 | 0 | 0 | 0 | 113.7 | Q966 E967 I968 K972 T1070 | Q966-N970 PolarHBondContact NE2-ND2 3.5Å; Q966-N970 PolarHBondContact NE2-OD1 3.04Å; Q966-N970 WeakPolarHBondContact O-CB 3.45Å; Q966-N970 PolarHBondContact O-N 2.8Å; Q966-N970 VanDerWaalsContact O-N 3.12Å; Q966-N970 PolarHBondContact O-ND2 2.93Å; Q966-N970 VanDerWaalsContact O-ND2 3.12Å; E967-N970 PolarHBondContact O-N 2.99Å; E967-N970 VanDerWaalsContact O-N 3.08Å; I968-N970 VanDerWaalsContact C-N 3.27Å; I968-N970 PolarHBondContact O-N 2.81Å; N970-K972 PolarHBondContact O-N 3.18Å; N970-T1070 WeakPolarHBondContact OD1-CB 2.96Å; N970-T1070 WeakPolarHBondContact OD1-CG2 3.3Å; N970-T1070 PolarHBondContact OD1-N 3.08Å; N970-T1070 PolarHBondContact OD1-OG1 3.42Å |
| 971 | Q | 91.4 | Very high | 88.5 | Confident | 84 Ų | 84 | 83.9 Ų | 83.9 | 39% | 0.393 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -62.9 | 127.8 | -179.9 | -63.9 | 176.9 | 4 | 0 | 0 | 111.5 | E967 I968 G973 V974 R977 | E967-Q971 PolarHBondContact O-N 3.38Å; I968-Q971 WeakPolarHBondContact O-CB 3.42Å; I968-Q971 WeakPolarHBondContact O-CG 3.36Å; I968-Q971 PolarHBondContact O-N 3.44Å; I968-Q971 VanDerWaalsContact O-N 3.15Å; Q971-G973 PolarHBondContact O-N 3.09Å; Q971-V974 HydrophobicContact CB-CB 4.23Å; Q971-V974 WeakPolarHBondContact O-CB 3.39Å; Q971-V974 WeakPolarHBondContact O-CG1 3.36Å; Q971-V974 PolarHBondContact O-N 2.76Å; Q971-R977 VanDerWaalsContact CB-NH2 3.3Å |
| 972 | K | 89.4 | Confident | 89.4 | Confident | 202 Ų | 202 | 82 Ų | 82 | 88% | 0.878 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 123.8 | 178.5 | -172.3 | 179 | 179.6 | -177.4 | 0 | 110.9 | N970 V974 R977 | N970-K972 PolarHBondContact O-N 3.18Å; K972-V974 PolarHBondContact O-N 2.92Å; K972-R977 PolarHBondContact O-NH1 2.81Å |
| 973 | G | 88.3 | Confident | 90.4 | Very high | 37 Ų | 37 | 74.7 Ų | 74.7 | 38% | 0.381 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 16.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116 | Q971 S975 C976 R977 | Q971-G973 PolarHBondContact O-N 3.09Å; G973-S975 VanDerWaalsContact C-N 3.3Å; G973-S975 PolarHBondContact O-N 3.28Å; G973-C976 WeakPolarHBondContact O-CB 3.32Å; G973-C976 PolarHBondContact O-N 3.34Å; G973-C976 VanDerWaalsContact O-N 3.09Å; G973-R977 PolarHBondContact O-N 2.99Å |
| 974 | V | 91.6 | Very high | 91.4 | Very high | 19 Ų | 19 | 76.7 Ų | 76.7 | 12% | 0.115 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.9 | -37 | 179.2 | 68 | 0 | 0 | 0 | 0 | 113.2 | I968 Q971 K972 C976 R977 A978 L1065 | I968-V974 HydrophobicContact CG2-CG2 4.2Å; Q971-V974 HydrophobicContact CB-CB 4.23Å; Q971-V974 WeakPolarHBondContact O-CB 3.39Å; Q971-V974 WeakPolarHBondContact O-CG1 3.36Å; Q971-V974 PolarHBondContact O-N 2.76Å; K972-V974 PolarHBondContact O-N 2.92Å; V974-C976 VanDerWaalsContact C-N 3.33Å; V974-C976 PolarHBondContact O-N 3.1Å; V974-R977 PolarHBondContact O-N 3.34Å; V974-A978 WeakPolarHBondContact O-CB 3.33Å; V974-A978 PolarHBondContact O-N 3.45Å; V974-L1065 HydrophobicContact CG1-CD1 4.32Å; V974-L1065 HydrophobicContact CG1-CD2 4.07Å; V974-L1065 HydrophobicContact CG2-CD1 3.97Å; V974-L1065 HydrophobicContact CG2-CD2 3.77Å |
| 975 | S | 89.1 | Confident | 91.9 | Very high | 59 Ų | 59 | 75.7 Ų | 75.7 | 41% | 0.413 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 172.8 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | G973 A978 Q979 | G973-S975 VanDerWaalsContact C-N 3.3Å; G973-S975 PolarHBondContact O-N 3.28Å; S975-A978 PolarHBondContact O-N 2.85Å; S975-Q979 PolarHBondContact O-N 2.94Å; S975-Q979 VanDerWaalsContact O-N 3.15Å |
| 976 | C | 89.1 | Confident | 92.3 | Very high | 75 Ų | 75 | 74.5 Ų | 74.5 | 51% | 0.507 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.6 | -32.6 | 174.4 | 178.5 | 0 | 0 | 0 | 0 | 112.4 | G973 V974 Q979 | G973-C976 WeakPolarHBondContact O-CB 3.32Å; G973-C976 PolarHBondContact O-N 3.34Å; G973-C976 VanDerWaalsContact O-N 3.09Å; V974-C976 VanDerWaalsContact C-N 3.33Å; V974-C976 PolarHBondContact O-N 3.1Å; C976-Q979 WeakPolarHBondContact O-CB 3.47Å |
| 977 | R | 91 | Very high | 92.8 | Very high | 116 Ų | 116 | 71.7 Ų | 71.7 | 44% | 0.438 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.3 | -43.1 | 169.9 | -70.3 | -167.9 | -65.9 | -74.2 | 5.4 | 111.8 | Q971 K972 G973 V974 Q979 G980 | Q971-R977 VanDerWaalsContact CB-NH2 3.3Å; K972-R977 PolarHBondContact O-NH1 2.81Å; G973-R977 PolarHBondContact O-N 2.99Å; V974-R977 PolarHBondContact O-N 3.34Å; R977-Q979 PolarHBondContact O-N 3.27Å; R977-G980 PolarHBondContact O-N 2.7Å |
| 978 | A | 92.4 | Very high | 93.2 | Very high | 23 Ų | 23 | 69.1 Ų | 69.1 | 19% | 0.19 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.2 | -23.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V974 S975 G980 K1058 V1061 L1065 | V974-A978 WeakPolarHBondContact O-CB 3.33Å; V974-A978 PolarHBondContact O-N 3.45Å; S975-A978 PolarHBondContact O-N 2.85Å; A978-G980 PolarHBondContact O-N 3.41Å; A978-G980 VanDerWaalsContact O-N 3.17Å; A978-K1058 WeakPolarHBondContact O-CG 3.5Å; A978-V1061 HydrophobicContact CB-CG1 4.15Å; A978-L1065 HydrophobicContact CB-CD1 3.77Å |
| 979 | Q | 92.9 | Very high | 93.6 | Very high | 93 Ų | 93 | 71.5 Ų | 71.5 | 44% | 0.435 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -11.5 | 171.6 | -176.4 | 64.3 | 6 | 0 | 0 | 113.6 | S975 C976 R977 W981 | S975-Q979 PolarHBondContact O-N 2.94Å; S975-Q979 VanDerWaalsContact O-N 3.15Å; C976-Q979 WeakPolarHBondContact O-CB 3.47Å; R977-Q979 PolarHBondContact O-N 3.27Å; Q979-W981 PolarHBondContact O-N 3.37Å |
| 980 | G | 95.1 | Very high | 94 | Very high | 7 Ų | 7 | 72.8 Ų | 72.8 | 7% | 0.072 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 18 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R977 A978 K982 V983 H984 | R977-G980 PolarHBondContact O-N 2.7Å; A978-G980 PolarHBondContact O-N 3.41Å; A978-G980 VanDerWaalsContact O-N 3.17Å; G980-K982 PolarHBondContact O-N 3.18Å; G980-K982 VanDerWaalsContact O-N 3.07Å; G980-V983 WeakPolarHBondContact O-CA 3.4Å; G980-V983 WeakPolarHBondContact O-CB 3.46Å; G980-V983 PolarHBondContact O-N 3.09Å; G980-H984 PolarHBondContact O-N 3.44Å |
| 981 | W | 95.5 | Very high | 94.3 | Very high | 130 Ų | 130 | 73 Ų | 73 | 49% | 0.492 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -55.6 | -32.6 | -173.6 | 72.6 | -99.6 | 0 | 0 | 0 | 114.4 | Q979 H984 L985 | Q979-W981 PolarHBondContact O-N 3.37Å; W981-H984 PolarHBondContact O-N 2.99Å; W981-L985 HydrophobicContact CZ3-CD2 4.27Å; W981-L985 WeakPolarHBondContact O-CB 3.28Å; W981-L985 PolarHBondContact O-N 2.84Å |
| 982 | K | 95.4 | Very high | 94.7 | Very high | 142 Ų | 142 | 75.2 Ų | 75.2 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.3 | -37.6 | 173.8 | -70.4 | -166.8 | 173 | -166 | 0 | 113 | G980 L985 C986 | G980-K982 PolarHBondContact O-N 3.18Å; G980-K982 VanDerWaalsContact O-N 3.07Å; K982-L985 PolarHBondContact O-N 3.09Å; K982-C986 WeakPolarHBondContact O-CB 3.44Å; K982-C986 PolarHBondContact O-N 3.07Å |
| 983 | V | 96.9 | Very high | 95.1 | Very high | 35 Ų | 35 | 69.5 Ų | 69.5 | 21% | 0.212 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.1 | -43.7 | 175.2 | 161.9 | 0 | 0 | 0 | 0 | 110.2 | G980 L985 C986 A987 M1051 L1052 L1055 | G980-V983 WeakPolarHBondContact O-CA 3.4Å; G980-V983 WeakPolarHBondContact O-CB 3.46Å; G980-V983 PolarHBondContact O-N 3.09Å; V983-L985 PolarHBondContact O-N 2.88Å; V983-C986 PolarHBondContact O-N 3.4Å; V983-A987 WeakPolarHBondContact O-CB 3.32Å; V983-A987 PolarHBondContact O-N 2.87Å; V983-M1051 HydrophobicContact CG1-CG 4.01Å; V983-L1052 HydrophobicContact CG1-CD2 4.26Å; V983-L1055 HydrophobicContact CB-CD1 4.14Å; V983-L1055 HydrophobicContact CG1-CD1 3.74Å; V983-L1055 HydrophobicContact CG1-CG 4.03Å |
| 984 | H | 96.6 | Very high | 95.6 | Very high | 89 Ų | 89 | 68.5 Ų | 68.5 | 41% | 0.412 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 174 | -67.3 | -49.6 | 0 | 0 | 0 | 112.9 | G980 W981 A987 A988 L1052 L1055 | G980-H984 PolarHBondContact O-N 3.44Å; W981-H984 PolarHBondContact O-N 2.99Å; H984-A987 PolarHBondContact O-N 3.25Å; H984-A988 PolarHBondContact O-N 3Å; H984-L1052 WeakPolarHBondContact ND1-CD2 3.38Å; H984-L1055 WeakPolarHBondContact CE1-CD1 3.48Å; H984-L1055 WeakPolarHBondContact NE2-CD1 3.43Å |
| 985 | L | 97.4 | Very high | 95.9 | Very high | 93 Ų | 93 | 71.8 Ų | 71.8 | 49% | 0.487 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 174.7 | 179.6 | 61.1 | 0 | 0 | 0 | 111.6 | W981 K982 V983 A988 Q989 | W981-L985 HydrophobicContact CZ3-CD2 4.27Å; W981-L985 WeakPolarHBondContact O-CB 3.28Å; W981-L985 PolarHBondContact O-N 2.84Å; K982-L985 PolarHBondContact O-N 3.09Å; V983-L985 PolarHBondContact O-N 2.88Å; L985-A988 PolarHBondContact O-N 3Å; L985-Q989 WeakPolarHBondContact O-CG 3.33Å; L985-Q989 PolarHBondContact O-N 3.41Å |
| 986 | C | 97.9 | Very high | 96.3 | Very high | 47 Ų | 47 | 74 Ų | 74 | 32% | 0.318 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 175.7 | -168.6 | 0 | 0 | 0 | 0 | 111.7 | K982 V983 A988 Q989 L990 M1051 | K982-C986 WeakPolarHBondContact O-CB 3.44Å; K982-C986 PolarHBondContact O-N 3.07Å; V983-C986 PolarHBondContact O-N 3.4Å; C986-A988 VanDerWaalsContact C-N 3.31Å; C986-A988 PolarHBondContact O-N 3.17Å; C986-Q989 WeakPolarHBondContact O-CB 3.43Å; C986-Q989 PolarHBondContact O-N 3.15Å; C986-Q989 VanDerWaalsContact O-N 3.14Å; C986-L990 WeakPolarHBondContact O-CG 3.11Å; C986-L990 PolarHBondContact O-N 3.04Å; C986-M1051 HydrophobicContact CB-CE 3.7Å; C986-M1051 HydrophobicContact CB-SD 3.89Å |
| 987 | A | 98.1 | Very high | 96.7 | Very high | 8 Ų | 8 | 72.5 Ų | 72.5 | 7% | 0.066 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V983 H984 L990 L991 R1048 M1051 L1052 | V983-A987 WeakPolarHBondContact O-CB 3.32Å; V983-A987 PolarHBondContact O-N 2.87Å; H984-A987 PolarHBondContact O-N 3.25Å; A987-L990 PolarHBondContact O-N 3.01Å; A987-L991 PolarHBondContact O-N 3.39Å; A987-R1048 HydrophobicContact CB-CG 3.93Å; A987-M1051 HydrophobicContact CB-CE 3.93Å; A987-M1051 VanDerWaalsContact N-CE 3.34Å; A987-L1052 HydrophobicContact CB-CD1 4.07Å; A987-L1052 HydrophobicContact CB-CD2 3.88Å; A987-L1052 HydrophobicContact CB-CG 3.94Å |
| 988 | A | 98.2 | Very high | 97.1 | Very high | 50 Ų | 50 | 71.3 Ų | 71.3 | 41% | 0.413 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.9 | -37.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | H984 L985 C986 L991 Q992 | H984-A988 PolarHBondContact O-N 3Å; L985-A988 PolarHBondContact O-N 3Å; C986-A988 VanDerWaalsContact C-N 3.31Å; C986-A988 PolarHBondContact O-N 3.17Å; A988-L991 PolarHBondContact O-N 3.12Å; A988-Q992 WeakPolarHBondContact O-CG 3.39Å; A988-Q992 PolarHBondContact O-N 2.87Å |
| 989 | Q | 98.4 | Very high | 97.3 | Very high | 108 Ų | 108 | 74.3 Ų | 74.3 | 51% | 0.505 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 174.1 | -69.5 | 172.8 | -47.3 | 0 | 0 | 112.2 | L985 C986 Q992 L993 | L985-Q989 WeakPolarHBondContact O-CG 3.33Å; L985-Q989 PolarHBondContact O-N 3.41Å; C986-Q989 WeakPolarHBondContact O-CB 3.43Å; C986-Q989 PolarHBondContact O-N 3.15Å; C986-Q989 VanDerWaalsContact O-N 3.14Å; Q989-Q992 PolarHBondContact O-N 3.07Å; Q989-L993 PolarHBondContact O-N 3Å |
| 990 | L | 98.3 | Very high | 97.6 | Very high | 39 Ų | 39 | 73 Ų | 73 | 20% | 0.204 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 172.7 | -68.1 | 176.1 | 0 | 0 | 0 | 111.6 | C986 A987 Q992 L993 T994 I1044 R1048 M1051 | C986-L990 WeakPolarHBondContact O-CG 3.11Å; C986-L990 PolarHBondContact O-N 3.04Å; A987-L990 PolarHBondContact O-N 3.01Å; L990-Q992 VanDerWaalsContact C-N 3.32Å; L990-Q992 PolarHBondContact O-N 3.23Å; L990-L993 WeakPolarHBondContact O-CA 3.48Å; L990-L993 WeakPolarHBondContact O-CB 3.38Å; L990-L993 PolarHBondContact O-N 2.93Å; L990-T994 PolarHBondContact O-N 2.97Å; L990-T994 PolarHBondContact O-OG1 3.2Å; L990-I1044 HydrophobicContact CB-CG2 3.96Å; L990-I1044 HydrophobicContact CD2-CG2 4.27Å; L990-I1044 VanDerWaalsContact O-CG2 3.28Å; L990-I1044 WeakPolarHBondContact O-CG2 3.32Å; L990-R1048 HydrophobicContact CB-CB 4.11Å; L990-R1048 HydrophobicContact CB-CG 4.38Å; L990-R1048 HydrophobicContact CD1-CB 4Å; L990-M1051 HydrophobicContact CD1-CE 3.68Å |
| 991 | L | 98.1 | Very high | 97.7 | Very high | 78 Ų | 78 | 74.4 Ų | 74.4 | 41% | 0.408 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61 | -39.4 | 173.5 | 179.9 | 63.6 | 0 | 0 | 0 | 112.2 | A987 A988 L993 T994 N995 | A987-L991 PolarHBondContact O-N 3.39Å; A988-L991 PolarHBondContact O-N 3.12Å; L991-L993 VanDerWaalsContact C-N 3.29Å; L991-L993 PolarHBondContact O-N 3.25Å; L991-T994 PolarHBondContact O-N 2.85Å; L991-N995 VanDerWaalsContact O-CG 3.27Å; L991-N995 PolarHBondContact O-N 3.44Å; L991-N995 PolarHBondContact O-OD1 2.95Å |
| 992 | Q | 98.3 | Very high | 97.9 | Very high | 129 Ų | 129 | 71.9 Ų | 71.9 | 60% | 0.603 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62 | -36.7 | 172.4 | -73.7 | 177.2 | -37.3 | 0 | 0 | 112.1 | A988 Q989 L990 N995 L996 | A988-Q992 WeakPolarHBondContact O-CG 3.39Å; A988-Q992 PolarHBondContact O-N 2.87Å; Q989-Q992 PolarHBondContact O-N 3.07Å; L990-Q992 VanDerWaalsContact C-N 3.32Å; L990-Q992 PolarHBondContact O-N 3.23Å; Q992-N995 PolarHBondContact O-N 2.64Å; Q992-L996 WeakPolarHBondContact O-CG 3.1Å; Q992-L996 PolarHBondContact O-N 3.22Å; Q992-L996 VanDerWaalsContact O-N 3.1Å |
| 993 | L | 98.3 | Very high | 98 | Very high | 83 Ų | 83 | 73.8 Ų | 73.8 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.3 | -39.9 | 175.4 | -168.3 | 66.3 | 0 | 0 | 0 | 112.1 | Q989 L990 L991 N995 L996 E997 I1044 | Q989-L993 PolarHBondContact O-N 3Å; L990-L993 WeakPolarHBondContact O-CA 3.48Å; L990-L993 WeakPolarHBondContact O-CB 3.38Å; L990-L993 PolarHBondContact O-N 2.93Å; L991-L993 VanDerWaalsContact C-N 3.29Å; L991-L993 PolarHBondContact O-N 3.25Å; L993-N995 VanDerWaalsContact C-N 3.3Å; L993-N995 PolarHBondContact O-N 2.86Å; L993-L996 PolarHBondContact O-N 3.25Å; L993-E997 PolarHBondContact O-N 2.9Å; L993-I1044 HydrophobicContact CB-CD1 4.38Å; L993-I1044 HydrophobicContact CD2-CD1 3.72Å; L993-I1044 HydrophobicContact CD2-CG1 4.25Å; L993-I1044 HydrophobicContact CG-CD1 3.77Å |
| 994 | T | 98.3 | Very high | 98 | Very high | 16 Ų | 16 | 73.2 Ų | 73.2 | 10% | 0.098 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.4 | -43.9 | 171.5 | -49.9 | 0 | 0 | 0 | 0 | 111.2 | L990 L991 L996 E997 H998 M1041 I1044 | L990-T994 PolarHBondContact O-N 2.97Å; L990-T994 PolarHBondContact O-OG1 3.2Å; L991-T994 PolarHBondContact O-N 2.85Å; T994-L996 PolarHBondContact O-N 3.35Å; T994-E997 PolarHBondContact O-N 3.14Å; T994-H998 WeakPolarHBondContact O-CB 3.26Å; T994-H998 PolarHBondContact O-N 3.01Å; T994-M1041 HydrophobicContact CG2-CB 4.17Å; T994-M1041 HydrophobicContact CG2-CG 4.11Å; T994-I1044 VanDerWaalsContact OG1-CG2 3.23Å; T994-I1044 WeakPolarHBondContact OG1-CG2 3.27Å |
| 995 | N | 98 | Very high | 98 | Very high | 88 Ų | 88 | 70 Ų | 70 | 47% | 0.471 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 178.7 | -65.5 | -3.1 | 0 | 0 | 0 | 112.3 | L991 Q992 L993 H998 D999 | L991-N995 VanDerWaalsContact O-CG 3.27Å; L991-N995 PolarHBondContact O-N 3.44Å; L991-N995 PolarHBondContact O-OD1 2.95Å; Q992-N995 PolarHBondContact O-N 2.64Å; L993-N995 VanDerWaalsContact C-N 3.3Å; L993-N995 PolarHBondContact O-N 2.86Å; N995-H998 WeakPolarHBondContact O-CB 3.17Å; N995-H998 PolarHBondContact O-N 3.48Å; N995-D999 PolarHBondContact O-N 3.49Å |
| 996 | L | 98.1 | Very high | 97.9 | Very high | 105 Ų | 105 | 70.5 Ų | 70.5 | 55% | 0.55 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 175.8 | -71.3 | 170.4 | 0 | 0 | 0 | 112.2 | Q992 L993 T994 H998 D999 V1000 | Q992-L996 WeakPolarHBondContact O-CG 3.1Å; Q992-L996 PolarHBondContact O-N 3.22Å; Q992-L996 VanDerWaalsContact O-N 3.1Å; L993-L996 PolarHBondContact O-N 3.25Å; T994-L996 PolarHBondContact O-N 3.35Å; L996-H998 VanDerWaalsContact C-N 3.31Å; L996-D999 PolarHBondContact O-N 2.85Å; L996-V1000 WeakPolarHBondContact O-CG2 3.4Å; L996-V1000 PolarHBondContact O-N 3.5Å; L996-V1000 VanDerWaalsContact O-N 3.11Å |
| 997 | E | 98.1 | Very high | 97.7 | Very high | 44 Ų | 44 | 72.4 Ų | 72.4 | 21% | 0.206 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.9 | -32.3 | 174 | -163.5 | 68.2 | -159.8 | 0 | 0 | 111.4 | L993 T994 V1000 Y1001 C1037 V1040 M1041 | L993-E997 PolarHBondContact O-N 2.9Å; T994-E997 PolarHBondContact O-N 3.14Å; E997-V1000 PolarHBondContact O-N 2.98Å; E997-Y1001 WeakPolarHBondContact O-CB 3.37Å; E997-Y1001 PolarHBondContact O-N 3.4Å; E997-C1037 HydrophobicContact CG-CB 4.16Å; E997-C1037 WeakPolarHBondContact OE1-CA 3.42Å; E997-C1037 WeakPolarHBondContact OE1-CB 3.49Å; E997-C1037 PolarHBondContact OE1-SG 3.32Å; E997-V1040 HydrophobicContact CG-CB 4.12Å; E997-V1040 HydrophobicContact CG-CG1 3.84Å; E997-M1041 HydrophobicContact CB-CG 3.74Å; E997-M1041 HydrophobicContact CG-CG 3.78Å |
| 998 | H | 98.3 | Very high | 97.5 | Very high | 90 Ų | 90 | 74 Ų | 74 | 42% | 0.417 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 171.1 | -164.1 | -54.7 | 0 | 0 | 0 | 111.9 | T994 N995 L996 V1000 Y1001 E1002 M1041 | T994-H998 WeakPolarHBondContact O-CB 3.26Å; T994-H998 PolarHBondContact O-N 3.01Å; N995-H998 WeakPolarHBondContact O-CB 3.17Å; N995-H998 PolarHBondContact O-N 3.48Å; L996-H998 VanDerWaalsContact C-N 3.31Å; H998-V1000 VanDerWaalsContact C-N 3.25Å; H998-V1000 PolarHBondContact O-N 2.93Å; H998-Y1001 PolarHBondContact O-N 2.94Å; H998-E1002 IonicContact CE1-OE1 3.01Å; H998-E1002 PolarHBondContact CE1-OE1 3.05Å; H998-E1002 WeakPolarHBondContact ND1-CG 3.32Å; H998-E1002 WeakPolarHBondContact O-CG 3.41Å; H998-E1002 PolarHBondContact O-N 3.49Å; H998-M1041 VanDerWaalsContact CA-SD 3.58Å; H998-M1041 HydrophobicContact CB-SD 3.68Å |
| 999 | D | 98.2 | Very high | 97.2 | Very high | 87 Ų | 87 | 77.4 Ų | 77.4 | 47% | 0.465 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.1 | -32.7 | 173.2 | -78.7 | -21.3 | 0 | 0 | 0 | 112.1 | N995 L996 R1003 | N995-D999 PolarHBondContact O-N 3.49Å; L996-D999 PolarHBondContact O-N 2.85Å; D999-R1003 WeakPolarHBondContact O-CD 3.48Å; D999-R1003 WeakPolarHBondContact O-CG 3.25Å; D999-R1003 PolarHBondContact O-N 2.93Å; D999-R1003 PolarHBondContact O-NE 2.98Å |
| 1000 | V | 98.1 | Very high | 96.6 | Very high | 66 Ų | 66 | 75.4 Ų | 75.4 | 40% | 0.4 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72.6 | -44.2 | 173.2 | 173.2 | 0 | 0 | 0 | 0 | 111 | L996 E997 H998 E1002 R1003 L1004 | L996-V1000 WeakPolarHBondContact O-CG2 3.4Å; L996-V1000 PolarHBondContact O-N 3.5Å; L996-V1000 VanDerWaalsContact O-N 3.11Å; E997-V1000 PolarHBondContact O-N 2.98Å; H998-V1000 VanDerWaalsContact C-N 3.25Å; H998-V1000 PolarHBondContact O-N 2.93Å; V1000-E1002 PolarHBondContact O-N 3.5Å; V1000-R1003 PolarHBondContact O-N 3.45Å; V1000-L1004 HydrophobicContact CG1-CD1 4.17Å; V1000-L1004 WeakPolarHBondContact O-CG 3.47Å; V1000-L1004 PolarHBondContact O-N 3.14Å |
| 1001 | Y | 98.3 | Very high | 95.9 | Very high | 35 Ų | 35 | 75.4 Ų | 75.4 | 14% | 0.137 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.5 | -48.6 | 175.4 | 177.7 | -89.1 | 0 | 0 | 0 | 111.6 | E997 H998 R1003 L1004 T1005 M1034 C1037 K1038 M1041 | E997-Y1001 WeakPolarHBondContact O-CB 3.37Å; E997-Y1001 PolarHBondContact O-N 3.4Å; H998-Y1001 PolarHBondContact O-N 2.94Å; Y1001-R1003 VanDerWaalsContact C-N 3.32Å; Y1001-R1003 PolarHBondContact O-N 3.39Å; Y1001-L1004 WeakPolarHBondContact O-CA 3.46Å; Y1001-L1004 WeakPolarHBondContact O-CB 3.46Å; Y1001-L1004 PolarHBondContact O-N 2.84Å; Y1001-T1005 WeakPolarHBondContact CE1-OG1 3.4Å; Y1001-T1005 PolarHBondContact O-N 2.9Å; Y1001-T1005 PolarHBondContact O-OG1 3.37Å; Y1001-T1005 VanDerWaalsContact O-OG1 3.11Å; Y1001-M1034 HydrophobicContact CD2-CB 4.16Å; Y1001-M1034 HydrophobicContact CD2-CG 4.35Å; Y1001-M1034 HydrophobicContact CE2-CB 3.83Å; Y1001-M1034 HydrophobicContact CE2-CE 3.89Å; Y1001-M1034 HydrophobicContact CE2-CG 4.19Å; Y1001-C1037 HydrophobicContact CD2-CB 4.18Å; Y1001-K1038 HydrophobicContact CD2-CG 4.16Å; Y1001-K1038 HydrophobicContact CE2-CD 3.9Å; Y1001-K1038 HydrophobicContact CE2-CG 3.87Å; Y1001-K1038 VanDerWaalsContact OH-CE 3.27Å; Y1001-K1038 WeakPolarHBondContact OH-CE 3.42Å; Y1001-K1038 PolarHBondContact OH-NZ 2.9Å; Y1001-M1041 HydrophobicContact CD2-CE 4.27Å; Y1001-M1041 HydrophobicContact CG-CE 4.05Å |
| 1002 | E | 98.1 | Very high | 94.8 | Very high | 77 Ų | 77 | 76.1 Ų | 76.1 | 36% | 0.36 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 178.2 | -73.8 | -56.8 | 124.2 | 0 | 0 | 112.7 | H998 V1000 L1004 T1005 N1006 | H998-E1002 IonicContact CE1-OE1 3.01Å; H998-E1002 PolarHBondContact CE1-OE1 3.05Å; H998-E1002 WeakPolarHBondContact ND1-CG 3.32Å; H998-E1002 WeakPolarHBondContact O-CG 3.41Å; H998-E1002 PolarHBondContact O-N 3.49Å; V1000-E1002 PolarHBondContact O-N 3.5Å; E1002-L1004 VanDerWaalsContact C-N 3.3Å; E1002-L1004 PolarHBondContact O-N 2.95Å; E1002-T1005 PolarHBondContact O-N 3.15Å; E1002-N1006 PolarHBondContact O-N 3.45Å; E1002-N1006 PolarHBondContact O-ND2 3.06Å |
| 1003 | R | 97.6 | Very high | 93.2 | Very high | 182 Ų | 182 | 72.8 Ų | 72.8 | 69% | 0.687 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.6 | -34.9 | 174.5 | -71.6 | 164.8 | -167.9 | -78.2 | -4.5 | 112.2 | D999 V1000 Y1001 L1007 | D999-R1003 WeakPolarHBondContact O-CD 3.48Å; D999-R1003 WeakPolarHBondContact O-CG 3.25Å; D999-R1003 PolarHBondContact O-N 2.93Å; D999-R1003 PolarHBondContact O-NE 2.98Å; V1000-R1003 PolarHBondContact O-N 3.45Å; Y1001-R1003 VanDerWaalsContact C-N 3.32Å; Y1001-R1003 PolarHBondContact O-N 3.39Å; R1003-L1007 VanDerWaalsContact O-CB 3.29Å; R1003-L1007 WeakPolarHBondContact O-CB 3.39Å; R1003-L1007 PolarHBondContact O-N 3.17Å |
| 1004 | L | 97.1 | Very high | 91.5 | Very high | 23 Ų | 23 | 78.5 Ų | 78.5 | 12% | 0.12 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -71.3 | -40 | 174 | -68.7 | 166.3 | 0 | 0 | 0 | 111.8 | V1000 Y1001 E1002 L1007 Q1008 I1030 N1033 M1034 | V1000-L1004 HydrophobicContact CG1-CD1 4.17Å; V1000-L1004 WeakPolarHBondContact O-CG 3.47Å; V1000-L1004 PolarHBondContact O-N 3.14Å; Y1001-L1004 WeakPolarHBondContact O-CA 3.46Å; Y1001-L1004 WeakPolarHBondContact O-CB 3.46Å; Y1001-L1004 PolarHBondContact O-N 2.84Å; E1002-L1004 VanDerWaalsContact C-N 3.3Å; E1002-L1004 PolarHBondContact O-N 2.95Å; L1004-L1007 PolarHBondContact O-N 2.91Å; L1004-Q1008 WeakPolarHBondContact O-CB 3.48Å; L1004-Q1008 PolarHBondContact O-N 3.07Å; L1004-I1030 HydrophobicContact CB-CG2 4.36Å; L1004-I1030 HydrophobicContact CD2-CG2 4.44Å; L1004-N1033 HydrophobicContact CD1-CB 3.69Å; L1004-N1033 HydrophobicContact CD2-CB 4.09Å; L1004-M1034 HydrophobicContact CB-CG 3.51Å; L1004-M1034 HydrophobicContact CB-SD 4.17Å; L1004-M1034 HydrophobicContact CD1-CG 4.15Å; L1004-M1034 HydrophobicContact CG-CG 4.43Å |
| 1005 | T | 96.5 | Very high | 89.7 | Confident | 23 Ų | 23 | 86.8 Ų | 86.8 | 14% | 0.141 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -57.6 | -51.9 | 172.5 | -50.4 | 0 | 0 | 0 | 0 | 111 | Y1001 E1002 L1007 Q1008 E1009 M1034 | Y1001-T1005 WeakPolarHBondContact CE1-OG1 3.4Å; Y1001-T1005 PolarHBondContact O-N 2.9Å; Y1001-T1005 PolarHBondContact O-OG1 3.37Å; Y1001-T1005 VanDerWaalsContact O-OG1 3.11Å; E1002-T1005 PolarHBondContact O-N 3.15Å; T1005-L1007 VanDerWaalsContact C-N 3.29Å; T1005-L1007 PolarHBondContact O-N 3.42Å; T1005-Q1008 WeakPolarHBondContact O-CB 3.36Å; T1005-Q1008 PolarHBondContact O-N 3.06Å; T1005-Q1008 VanDerWaalsContact O-N 3.09Å; T1005-E1009 PolarHBondContact O-N 3.39Å; T1005-M1034 HydrophobicContact CG2-CE 4.4Å; T1005-M1034 WeakPolarHBondContact OG1-CE 3.36Å |
| 1006 | N | 96.1 | Very high | 87.8 | Confident | 103 Ų | 103 | 92.7 Ų | 92.7 | 55% | 0.551 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.9 | -37 | 178.3 | -81.1 | -101.3 | 0 | 0 | 0 | 112.1 | E1002 G1010 | E1002-N1006 PolarHBondContact O-N 3.45Å; E1002-N1006 PolarHBondContact O-ND2 3.06Å; N1006-G1010 PolarHBondContact O-N 3.3Å; N1006-G1010 VanDerWaalsContact O-N 3.1Å |
| 1007 | L | 93.9 | Very high | 85.6 | Confident | 87 Ų | 87 | 91 Ų | 91 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68 | -38.9 | 174.8 | -176.5 | 63.6 | 0 | 0 | 0 | 111.9 | R1003 L1004 T1005 G1010 I1011 I1030 | R1003-L1007 VanDerWaalsContact O-CB 3.29Å; R1003-L1007 WeakPolarHBondContact O-CB 3.39Å; R1003-L1007 PolarHBondContact O-N 3.17Å; L1004-L1007 PolarHBondContact O-N 2.91Å; T1005-L1007 VanDerWaalsContact C-N 3.29Å; T1005-L1007 PolarHBondContact O-N 3.42Å; L1007-G1010 PolarHBondContact O-N 3.48Å; L1007-I1011 HydrophobicContact CD1-CD1 3.83Å; L1007-I1011 HydrophobicContact CG-CD1 3.88Å; L1007-I1011 WeakPolarHBondContact O-CD1 3.28Å; L1007-I1011 VanDerWaalsContact O-CG1 3.29Å; L1007-I1011 WeakPolarHBondContact O-CG1 3.22Å; L1007-I1011 PolarHBondContact O-N 3.34Å; L1007-I1030 HydrophobicContact CD2-CD1 3.91Å; L1007-I1030 HydrophobicContact CD2-CG1 4.24Å; L1007-I1030 HydrophobicContact CG-CD1 3.87Å |
| 1008 | Q | 93.2 | Very high | 83.6 | Confident | 40 Ų | 40 | 94.2 Ų | 94.2 | 19% | 0.187 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -62.7 | -49.8 | 175.6 | -160.5 | -176.6 | 21.4 | 0 | 0 | 110.9 | L1004 T1005 G1010 I1011 I1012 N1027 I1030 Q1031 M1034 | L1004-Q1008 WeakPolarHBondContact O-CB 3.48Å; L1004-Q1008 PolarHBondContact O-N 3.07Å; T1005-Q1008 WeakPolarHBondContact O-CB 3.36Å; T1005-Q1008 PolarHBondContact O-N 3.06Å; T1005-Q1008 VanDerWaalsContact O-N 3.09Å; Q1008-G1010 VanDerWaalsContact C-N 3.27Å; Q1008-G1010 PolarHBondContact O-N 3.06Å; Q1008-I1011 PolarHBondContact O-N 3.28Å; Q1008-I1012 WeakPolarHBondContact O-CG1 3.4Å; Q1008-I1012 PolarHBondContact O-N 2.99Å; Q1008-N1027 PolarHBondContact NE2-OD1 2.91Å; Q1008-I1030 HydrophobicContact CB-CG2 3.89Å; Q1008-I1030 HydrophobicContact CG-CG2 4.22Å; Q1008-Q1031 VanDerWaalsContact NE2-CG 3.28Å; Q1008-M1034 HydrophobicContact CB-SD 4.46Å |
| 1009 | E | 91.2 | Very high | 81.8 | Confident | 122 Ų | 122 | 94.5 Ų | 94.5 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60 | -34.9 | 177.9 | -71.1 | -177.8 | -167.3 | 0 | 0 | 113 | T1005 I1011 | T1005-E1009 PolarHBondContact O-N 3.39Å; E1009-I1011 VanDerWaalsContact C-N 3.32Å |
| 1010 | G | 86.5 | Confident | 80.9 | Confident | 67 Ų | 67 | 94.9 Ų | 94.9 | 69% | 0.691 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.7 | -20.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1006 L1007 Q1008 | N1006-G1010 PolarHBondContact O-N 3.3Å; N1006-G1010 VanDerWaalsContact O-N 3.1Å; L1007-G1010 PolarHBondContact O-N 3.48Å; Q1008-G1010 VanDerWaalsContact C-N 3.27Å; Q1008-G1010 PolarHBondContact O-N 3.06Å |
| 1011 | I | 84.8 | Confident | 80.3 | Confident | 39 Ų | 39 | 98.2 Ų | 98.2 | 20% | 0.2 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -98.1 | -20.9 | -175.5 | -73.7 | 170.7 | 0 | 0 | 0 | 112.7 | L1007 Q1008 E1009 P1013 L1023 I1026 I1030 | L1007-I1011 HydrophobicContact CD1-CD1 3.83Å; L1007-I1011 HydrophobicContact CG-CD1 3.88Å; L1007-I1011 WeakPolarHBondContact O-CD1 3.28Å; L1007-I1011 VanDerWaalsContact O-CG1 3.29Å; L1007-I1011 WeakPolarHBondContact O-CG1 3.22Å; L1007-I1011 PolarHBondContact O-N 3.34Å; Q1008-I1011 PolarHBondContact O-N 3.28Å; E1009-I1011 VanDerWaalsContact C-N 3.32Å; I1011-P1013 WeakPolarHBondContact O-CD 3.26Å; I1011-P1013 VanDerWaalsContact O-N 3.15Å; I1011-L1023 HydrophobicContact CG2-CD2 4.36Å; I1011-I1026 HydrophobicContact CD1-CG2 3.83Å; I1011-I1030 HydrophobicContact CD1-CD1 3.6Å |
| 1012 | I | 74.9 | Confident | 79.8 | Confident | 93 Ų | 93 | 101.8 Ų | 101.8 | 48% | 0.477 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -58.5 | 115.3 | 176.2 | -68.7 | 167.1 | 0 | 0 | 0 | 110.3 | Q1008 K1014 | Q1008-I1012 WeakPolarHBondContact O-CG1 3.4Å; Q1008-I1012 PolarHBondContact O-N 2.99Å; I1012-K1014 PolarHBondContact O-N 3.45Å; I1012-K1014 VanDerWaalsContact O-N 3.08Å |
| 1013 | P | 63.8 | Low | 79.3 | Confident | 59 Ų | 59 | 100.9 Ų | 100.9 | 38% | 0.383 | 54% | 0.539 | S | S | . | . | | | trans | -69.2 | 109 | -170.5 | -22.8 | 35 | 0 | 0 | 0 | 113.4 | I1011 K1015 L1023 | I1011-P1013 WeakPolarHBondContact O-CD 3.26Å; I1011-P1013 VanDerWaalsContact O-N 3.15Å; P1013-K1015 PolarHBondContact O-N 3.06Å; P1013-L1023 HydrophobicContact CG-CD1 4.08Å |
| 1014 | K | 63.1 | Low | 78.9 | Confident | 202 Ų | 202 | 97.4 Ų | 97.4 | 88% | 0.878 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -70.1 | -8.6 | 176.3 | -66.7 | -175.8 | 179.6 | 176.7 | 0 | 114.2 | I1012 | I1012-K1014 PolarHBondContact O-N 3.45Å; I1012-K1014 VanDerWaalsContact O-N 3.08Å |
| 1015 | K | 60.1 | Low | 78.7 | Confident | 190 Ų | 190 | 104 Ų | 104 | 83% | 0.826 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -142.4 | 141.3 | 163.5 | -76 | -170.6 | 175.2 | -178 | 0 | 108.9 | P1013 | P1013-K1015 PolarHBondContact O-N 3.06Š|
| 1016 | K | 57.4 | Low | 78.5 | Confident | 212 Ų | 212 | 106.3 Ų | 106.3 | 92% | 0.922 | 56% | 0.564 | S | S | * | * | | | trans | -73.2 | 126.7 | 175.6 | -63.6 | -166.6 | 175.8 | -163.1 | 0 | 110.6 | | |
| 1017 | A | 53.2 | Low | 78.3 | Confident | 71 Ų | 71 | 102.9 Ų | 102.9 | 59% | 0.587 | 55% | 0.545 | S | S | * | . | | | trans | -141.5 | 153.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | T1019 | A1017-T1019 PolarHBondContact O-N 3.37Š|
| 1018 | A | 55.2 | Low | 78.4 | Confident | 111 Ų | 111 | 103.3 Ų | 103.3 | 92% | 0.917 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -76.6 | 33 | -163.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 1019 | T | 61.6 | Low | 78.5 | Confident | 96 Ų | 96 | 106 Ų | 106 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | | | trans | -113.3 | 38.6 | 171.3 | 56.1 | 0 | 0 | 0 | 0 | 110.4 | A1017 L1023 | A1017-T1019 PolarHBondContact O-N 3.37Å; T1019-L1023 WeakPolarHBondContact O-CD1 3.41Å; T1019-L1023 WeakPolarHBondContact O-CG 3.48Å |
| 1020 | D | 77.4 | Confident | 78.8 | Confident | 94 Ų | 94 | 100.5 Ų | 100.5 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73.7 | -37.7 | -170.4 | -150.8 | 42.7 | 0 | 0 | 0 | 111.7 | D1022 L1023 H1024 | D1020-D1022 PolarHBondContact O-N 2.92Å; D1020-L1023 PolarHBondContact O-N 3.28Å; D1020-H1024 VanDerWaalsContact O-CB 3.28Å; D1020-H1024 WeakPolarHBondContact O-CB 3.3Å; D1020-H1024 PolarHBondContact O-N 2.91Å |
| 1021 | D | 86.4 | Confident | 79.3 | Confident | 137 Ų | 137 | 100.2 Ų | 100.2 | 73% | 0.733 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.5 | -45.8 | -174.4 | -63.5 | -46 | 0 | 0 | 0 | 113.7 | R1025 | D1021-R1025 VanDerWaalsContact O-CB 3.27Å; D1021-R1025 WeakPolarHBondContact O-CB 3.39Å; D1021-R1025 PolarHBondContact O-N 3.45Å |
| 1022 | D | 88.1 | Confident | 79.9 | Confident | 110 Ų | 110 | 99.7 Ų | 99.7 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.4 | -37.6 | 177.4 | -89.9 | -40.1 | 0 | 0 | 0 | 111.8 | D1020 R1025 I1026 | D1020-D1022 PolarHBondContact O-N 2.92Å; D1022-R1025 PolarHBondContact O-N 3.26Å; D1022-I1026 WeakPolarHBondContact O-CB 3.48Å; D1022-I1026 WeakPolarHBondContact O-CD1 3.47Å; D1022-I1026 WeakPolarHBondContact O-CG1 3.49Å; D1022-I1026 PolarHBondContact O-N 3.14Å |
| 1023 | L | 87.4 | Confident | 81 | Confident | 58 Ų | 58 | 97.7 Ų | 97.7 | 30% | 0.304 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 176.5 | -66.2 | 172.9 | 0 | 0 | 0 | 111.2 | I1011 P1013 T1019 D1020 I1026 N1027 | I1011-L1023 HydrophobicContact CG2-CD2 4.36Å; P1013-L1023 HydrophobicContact CG-CD1 4.08Å; T1019-L1023 WeakPolarHBondContact O-CD1 3.41Å; T1019-L1023 WeakPolarHBondContact O-CG 3.48Å; D1020-L1023 PolarHBondContact O-N 3.28Å; L1023-I1026 PolarHBondContact O-N 3.44Å; L1023-N1027 WeakPolarHBondContact O-CB 3.49Å; L1023-N1027 PolarHBondContact O-N 2.94Å |
| 1024 | H | 89.2 | Confident | 82.6 | Confident | 108 Ų | 108 | 95.5 Ų | 95.5 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 172.3 | 178.2 | 44.1 | 0 | 0 | 0 | 111 | D1020 I1026 N1027 E1028 | D1020-H1024 VanDerWaalsContact O-CB 3.28Å; D1020-H1024 WeakPolarHBondContact O-CB 3.3Å; D1020-H1024 PolarHBondContact O-N 2.91Å; H1024-I1026 VanDerWaalsContact C-N 3.31Å; H1024-I1026 PolarHBondContact O-N 3.32Å; H1024-N1027 CarbonylContact O-C 2.99Å; H1024-N1027 WeakPolarHBondContact O-CA 3.41Å; H1024-N1027 WeakPolarHBondContact O-CB 3.28Å; H1024-N1027 PolarHBondContact O-N 3.49Å; H1024-E1028 IonicContact CE1-OE1 3.99Å; H1024-E1028 PolarHBondContact O-N 3.35Å |
| 1025 | R | 92.8 | Very high | 84.3 | Confident | 162 Ų | 162 | 92.1 Ų | 92.1 | 61% | 0.611 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.7 | -36.8 | 176.3 | -175.6 | 172.2 | 179.2 | -88 | -5.5 | 112.8 | D1021 D1022 L1029 | D1021-R1025 VanDerWaalsContact O-CB 3.27Å; D1021-R1025 WeakPolarHBondContact O-CB 3.39Å; D1021-R1025 PolarHBondContact O-N 3.45Å; D1022-R1025 PolarHBondContact O-N 3.26Å; R1025-L1029 WeakPolarHBondContact O-CG 3.34Å; R1025-L1029 PolarHBondContact O-N 2.81Å |
| 1026 | I | 92.2 | Very high | 86.1 | Confident | 71 Ų | 71 | 90.5 Ų | 90.5 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.8 | -41 | 172.6 | -70.3 | 163 | 0 | 0 | 0 | 110.7 | I1011 D1022 L1023 H1024 L1029 I1030 | I1011-I1026 HydrophobicContact CD1-CG2 3.83Å; D1022-I1026 WeakPolarHBondContact O-CB 3.48Å; D1022-I1026 WeakPolarHBondContact O-CD1 3.47Å; D1022-I1026 WeakPolarHBondContact O-CG1 3.49Å; D1022-I1026 PolarHBondContact O-N 3.14Å; L1023-I1026 PolarHBondContact O-N 3.44Å; H1024-I1026 VanDerWaalsContact C-N 3.31Å; H1024-I1026 PolarHBondContact O-N 3.32Å; I1026-L1029 PolarHBondContact O-N 2.99Å; I1026-I1030 HydrophobicContact CG2-CD1 3.78Å; I1026-I1030 HydrophobicContact CG2-CG1 4.48Å; I1026-I1030 WeakPolarHBondContact O-CG1 3.19Å; I1026-I1030 PolarHBondContact O-N 2.99Å |
| 1027 | N | 92.6 | Very high | 88.1 | Confident | 31 Ų | 31 | 80.8 Ų | 80.8 | 17% | 0.166 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 176.8 | -167 | -12.9 | 0 | 0 | 0 | 112 | Q1008 L1023 H1024 L1029 I1030 Q1031 | Q1008-N1027 PolarHBondContact NE2-OD1 2.91Å; L1023-N1027 WeakPolarHBondContact O-CB 3.49Å; L1023-N1027 PolarHBondContact O-N 2.94Å; H1024-N1027 CarbonylContact O-C 2.99Å; H1024-N1027 WeakPolarHBondContact O-CA 3.41Å; H1024-N1027 WeakPolarHBondContact O-CB 3.28Å; H1024-N1027 PolarHBondContact O-N 3.49Å; N1027-L1029 VanDerWaalsContact C-N 3.34Å; N1027-L1029 PolarHBondContact O-N 3.1Å; N1027-I1030 PolarHBondContact O-N 3.25Å; N1027-Q1031 WeakPolarHBondContact O-CG 3.42Å; N1027-Q1031 PolarHBondContact O-N 3.1Å; N1027-Q1031 PolarHBondContact O-NE2 3.3Å; N1027-Q1031 PolarHBondContact OD1-NE2 3.44Å |
| 1028 | E | 94.8 | Very high | 90.2 | Very high | 97 Ų | 97 | 82.2 Ų | 82.2 | 45% | 0.453 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 173.6 | -69.1 | -57.2 | 113.2 | 0 | 0 | 112.2 | H1024 Q1031 G1032 | H1024-E1028 IonicContact CE1-OE1 3.99Å; H1024-E1028 PolarHBondContact O-N 3.35Å; E1028-Q1031 PolarHBondContact O-N 2.71Å; E1028-Q1031 PolarHBondContact OE1-NE2 3.41Å; E1028-G1032 PolarHBondContact O-N 3.21Å |
| 1029 | L | 96.6 | Very high | 92.3 | Very high | 95 Ų | 95 | 81.5 Ų | 81.5 | 50% | 0.497 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.4 | -38 | 174.4 | -70.6 | 170 | 0 | 0 | 0 | 112.2 | R1025 I1026 N1027 N1033 | R1025-L1029 WeakPolarHBondContact O-CG 3.34Å; R1025-L1029 PolarHBondContact O-N 2.81Å; I1026-L1029 PolarHBondContact O-N 2.99Å; N1027-L1029 VanDerWaalsContact C-N 3.34Å; N1027-L1029 PolarHBondContact O-N 3.1Å; L1029-N1033 PolarHBondContact O-N 3.33Å; L1029-N1033 PolarHBondContact O-ND2 3Å; L1029-N1033 PolarHBondContact O-OD1 2.89Å |
| 1030 | I | 96.4 | Very high | 94 | Very high | 7 Ų | 7 | 79.2 Ų | 79.2 | 4% | 0.036 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.2 | -45.3 | 175.6 | -69 | 163.2 | 0 | 0 | 0 | 110.7 | L1004 L1007 Q1008 I1011 I1026 N1027 G1032 N1033 M1034 | L1004-I1030 HydrophobicContact CB-CG2 4.36Å; L1004-I1030 HydrophobicContact CD2-CG2 4.44Å; L1007-I1030 HydrophobicContact CD2-CD1 3.91Å; L1007-I1030 HydrophobicContact CD2-CG1 4.24Å; L1007-I1030 HydrophobicContact CG-CD1 3.87Å; Q1008-I1030 HydrophobicContact CB-CG2 3.89Å; Q1008-I1030 HydrophobicContact CG-CG2 4.22Å; I1011-I1030 HydrophobicContact CD1-CD1 3.6Å; I1026-I1030 HydrophobicContact CG2-CD1 3.78Å; I1026-I1030 HydrophobicContact CG2-CG1 4.48Å; I1026-I1030 WeakPolarHBondContact O-CG1 3.19Å; I1026-I1030 PolarHBondContact O-N 2.99Å; N1027-I1030 PolarHBondContact O-N 3.25Å; I1030-G1032 PolarHBondContact O-N 3.44Å; I1030-N1033 WeakPolarHBondContact O-CB 3.45Å; I1030-N1033 PolarHBondContact O-N 2.91Å; I1030-N1033 VanDerWaalsContact O-N 3.11Å; I1030-M1034 HydrophobicContact CG2-CG 4.34Å; I1030-M1034 HydrophobicContact CG2-SD 3.76Å; I1030-M1034 WeakPolarHBondContact O-CG 3.49Å; I1030-M1034 PolarHBondContact O-N 3.36Å |
| 1031 | Q | 96.8 | Very high | 95 | Very high | 61 Ų | 61 | 75.9 Ų | 75.9 | 29% | 0.285 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 174 | -73 | 174.9 | 79.3 | 0 | 0 | 111.7 | Q1008 N1027 E1028 N1033 M1034 Q1035 | Q1008-Q1031 VanDerWaalsContact NE2-CG 3.28Å; N1027-Q1031 WeakPolarHBondContact O-CG 3.42Å; N1027-Q1031 PolarHBondContact O-N 3.1Å; N1027-Q1031 PolarHBondContact O-NE2 3.3Å; N1027-Q1031 PolarHBondContact OD1-NE2 3.44Å; E1028-Q1031 PolarHBondContact O-N 2.71Å; E1028-Q1031 PolarHBondContact OE1-NE2 3.41Å; Q1031-N1033 VanDerWaalsContact C-N 3.26Å; Q1031-N1033 PolarHBondContact O-N 3.35Å; Q1031-M1034 PolarHBondContact O-N 3.49Å; Q1031-Q1035 VanDerWaalsContact O-CG 3.32Å; Q1031-Q1035 WeakPolarHBondContact O-CG 3.39Å; Q1031-Q1035 PolarHBondContact O-N 3.42Å |
| 1032 | G | 97.9 | Very high | 95.6 | Very high | 28 Ų | 28 | 74.4 Ų | 74.4 | 29% | 0.289 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61 | -33.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1028 I1030 R1036 | E1028-G1032 PolarHBondContact O-N 3.21Å; I1030-G1032 PolarHBondContact O-N 3.44Å; G1032-R1036 WeakPolarHBondContact O-CG 3.23Å; G1032-R1036 PolarHBondContact O-N 2.91Å |
| 1033 | N | 98.1 | Very high | 96.1 | Very high | 52 Ų | 52 | 74.2 Ų | 74.2 | 28% | 0.278 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.9 | -47.2 | 172.2 | -64.5 | -21 | 0 | 0 | 0 | 111.4 | L1004 L1029 I1030 Q1031 Q1035 R1036 C1037 | L1004-N1033 HydrophobicContact CD1-CB 3.69Å; L1004-N1033 HydrophobicContact CD2-CB 4.09Å; L1029-N1033 PolarHBondContact O-N 3.33Å; L1029-N1033 PolarHBondContact O-ND2 3Å; L1029-N1033 PolarHBondContact O-OD1 2.89Å; I1030-N1033 WeakPolarHBondContact O-CB 3.45Å; I1030-N1033 PolarHBondContact O-N 2.91Å; I1030-N1033 VanDerWaalsContact O-N 3.11Å; Q1031-N1033 VanDerWaalsContact C-N 3.26Å; Q1031-N1033 PolarHBondContact O-N 3.35Å; N1033-Q1035 VanDerWaalsContact C-N 3.31Å; N1033-Q1035 PolarHBondContact O-N 2.85Å; N1033-R1036 PolarHBondContact O-N 3.29Å; N1033-R1036 PolarHBondContact OD1-NH2 3.19Å; N1033-C1037 PolarHBondContact O-N 3.11Å; N1033-C1037 PolarHBondContact O-SG 3.46Å; N1033-C1037 VanDerWaalsContact O-SG 3.32Å |
| 1034 | M | 98.1 | Very high | 96.6 | Very high | 13 Ų | 13 | 72.3 Ų | 72.3 | 6% | 0.064 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.8 | -36.8 | 178.8 | -71.3 | 170.9 | 74.9 | 0 | 0 | 112.8 | Y1001 L1004 T1005 Q1008 I1030 Q1031 K1038 | Y1001-M1034 HydrophobicContact CD2-CB 4.16Å; Y1001-M1034 HydrophobicContact CD2-CG 4.35Å; Y1001-M1034 HydrophobicContact CE2-CB 3.83Å; Y1001-M1034 HydrophobicContact CE2-CE 3.89Å; Y1001-M1034 HydrophobicContact CE2-CG 4.19Å; L1004-M1034 HydrophobicContact CB-CG 3.51Å; L1004-M1034 HydrophobicContact CB-SD 4.17Å; L1004-M1034 HydrophobicContact CD1-CG 4.15Å; L1004-M1034 HydrophobicContact CG-CG 4.43Å; T1005-M1034 HydrophobicContact CG2-CE 4.4Å; T1005-M1034 WeakPolarHBondContact OG1-CE 3.36Å; Q1008-M1034 HydrophobicContact CB-SD 4.46Å; I1030-M1034 HydrophobicContact CG2-CG 4.34Å; I1030-M1034 HydrophobicContact CG2-SD 3.76Å; I1030-M1034 WeakPolarHBondContact O-CG 3.49Å; I1030-M1034 PolarHBondContact O-N 3.36Å; Q1031-M1034 PolarHBondContact O-N 3.49Å; M1034-K1038 PolarHBondContact O-N 3.08Å; M1034-K1038 VanDerWaalsContact O-N 3.08Å |
| 1035 | Q | 98.4 | Very high | 97 | Very high | 130 Ų | 130 | 68.5 Ų | 68.5 | 61% | 0.607 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.4 | -42.1 | 172.3 | -71.4 | 174.3 | 24.9 | 0 | 0 | 111.7 | Q1031 N1033 K1038 L1039 | Q1031-Q1035 VanDerWaalsContact O-CG 3.32Å; Q1031-Q1035 WeakPolarHBondContact O-CG 3.39Å; Q1031-Q1035 PolarHBondContact O-N 3.42Å; N1033-Q1035 VanDerWaalsContact C-N 3.31Å; N1033-Q1035 PolarHBondContact O-N 2.85Å; Q1035-K1038 PolarHBondContact O-N 3.32Å; Q1035-L1039 PolarHBondContact O-N 2.9Å |
| 1036 | R | 98.4 | Very high | 97.3 | Very high | 156 Ų | 156 | 67.2 Ų | 67.2 | 59% | 0.589 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -65.9 | -42.3 | 175.7 | -70.1 | -175 | -56.3 | 118.5 | -7.5 | 112 | G1032 N1033 K1038 L1039 V1040 | G1032-R1036 WeakPolarHBondContact O-CG 3.23Å; G1032-R1036 PolarHBondContact O-N 2.91Å; N1033-R1036 PolarHBondContact O-N 3.29Å; N1033-R1036 PolarHBondContact OD1-NH2 3.19Å; R1036-K1038 VanDerWaalsContact C-N 3.35Å; R1036-K1038 PolarHBondContact O-N 2.86Å; R1036-L1039 PolarHBondContact O-N 3.2Å; R1036-V1040 WeakPolarHBondContact O-CB 3.33Å; R1036-V1040 VanDerWaalsContact O-CG2 3.3Å; R1036-V1040 WeakPolarHBondContact O-CG2 3.4Å; R1036-V1040 PolarHBondContact O-N 3.47Å |
| 1037 | C | 98.3 | Very high | 97.6 | Very high | 9 Ų | 9 | 66.3 Ų | 66.3 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 176.2 | -63.4 | 0 | 0 | 0 | 0 | 112.1 | E997 Y1001 N1033 V1040 M1041 | E997-C1037 HydrophobicContact CG-CB 4.16Å; E997-C1037 WeakPolarHBondContact OE1-CA 3.42Å; E997-C1037 WeakPolarHBondContact OE1-CB 3.49Å; E997-C1037 PolarHBondContact OE1-SG 3.32Å; Y1001-C1037 HydrophobicContact CD2-CB 4.18Å; N1033-C1037 PolarHBondContact O-N 3.11Å; N1033-C1037 PolarHBondContact O-SG 3.46Å; N1033-C1037 VanDerWaalsContact O-SG 3.32Å; C1037-V1040 PolarHBondContact O-N 3.12Å; C1037-M1041 WeakPolarHBondContact O-CG 3.34Å; C1037-M1041 PolarHBondContact O-N 3.25Å |
| 1038 | K | 98.2 | Very high | 97.8 | Very high | 100 Ų | 100 | 67.2 Ų | 67.2 | 44% | 0.435 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.7 | -53.5 | 172.1 | -81.1 | 170.1 | 169.2 | 159.5 | 0 | 112 | Y1001 M1034 Q1035 R1036 V1040 M1041 D1042 | Y1001-K1038 HydrophobicContact CD2-CG 4.16Å; Y1001-K1038 HydrophobicContact CE2-CD 3.9Å; Y1001-K1038 HydrophobicContact CE2-CG 3.87Å; Y1001-K1038 VanDerWaalsContact OH-CE 3.27Å; Y1001-K1038 WeakPolarHBondContact OH-CE 3.42Å; Y1001-K1038 PolarHBondContact OH-NZ 2.9Å; M1034-K1038 PolarHBondContact O-N 3.08Å; M1034-K1038 VanDerWaalsContact O-N 3.08Å; Q1035-K1038 PolarHBondContact O-N 3.32Å; R1036-K1038 VanDerWaalsContact C-N 3.35Å; R1036-K1038 PolarHBondContact O-N 2.86Å; K1038-V1040 VanDerWaalsContact C-N 3.26Å; K1038-V1040 PolarHBondContact O-N 3.08Å; K1038-M1041 HydrophobicContact CG-CE 4.29Å; K1038-M1041 PolarHBondContact O-N 3.42Å; K1038-M1041 VanDerWaalsContact O-N 3.14Å; K1038-D1042 PolarHBondContact O-N 3.03Å |
| 1039 | L | 98.4 | Very high | 98 | Very high | 96 Ų | 96 | 65.6 Ų | 65.6 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.1 | -37.7 | 179 | -178.1 | 62.4 | 0 | 0 | 0 | 112.6 | Q1035 R1036 Q1043 | Q1035-L1039 PolarHBondContact O-N 2.9Å; R1036-L1039 PolarHBondContact O-N 3.2Å; L1039-Q1043 HydrophobicContact CD1-CG 4.37Å; L1039-Q1043 WeakPolarHBondContact O-CB 3.46Å; L1039-Q1043 VanDerWaalsContact O-CG 3.22Å; L1039-Q1043 WeakPolarHBondContact O-CG 3.27Å; L1039-Q1043 PolarHBondContact O-N 2.96Å |
| 1040 | V | 98.4 | Very high | 98 | Very high | 49 Ų | 49 | 63.3 Ų | 63.3 | 30% | 0.297 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.7 | -44 | 176.5 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | E997 R1036 C1037 K1038 D1042 Q1043 I1044 | E997-V1040 HydrophobicContact CG-CB 4.12Å; E997-V1040 HydrophobicContact CG-CG1 3.84Å; R1036-V1040 WeakPolarHBondContact O-CB 3.33Å; R1036-V1040 VanDerWaalsContact O-CG2 3.3Å; R1036-V1040 WeakPolarHBondContact O-CG2 3.4Å; R1036-V1040 PolarHBondContact O-N 3.47Å; C1037-V1040 PolarHBondContact O-N 3.12Å; K1038-V1040 VanDerWaalsContact C-N 3.26Å; K1038-V1040 PolarHBondContact O-N 3.08Å; V1040-D1042 VanDerWaalsContact C-N 3.33Å; V1040-D1042 PolarHBondContact O-N 3.46Å; V1040-Q1043 PolarHBondContact O-N 3.21Å; V1040-I1044 HydrophobicContact CG1-CD1 3.57Å; V1040-I1044 HydrophobicContact CG1-CG1 4.32Å; V1040-I1044 WeakPolarHBondContact O-CB 3.43Å; V1040-I1044 WeakPolarHBondContact O-CD1 3.42Å; V1040-I1044 WeakPolarHBondContact O-CG1 3.49Å; V1040-I1044 PolarHBondContact O-N 3.37Å |
| 1041 | M | 98.2 | Very high | 98 | Very high | 23 Ų | 23 | 65.1 Ų | 65.1 | 11% | 0.113 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 174.2 | -75.7 | -172.8 | -73.4 | 0 | 0 | 112.4 | T994 E997 H998 Y1001 C1037 K1038 S1045 | T994-M1041 HydrophobicContact CG2-CB 4.17Å; T994-M1041 HydrophobicContact CG2-CG 4.11Å; E997-M1041 HydrophobicContact CB-CG 3.74Å; E997-M1041 HydrophobicContact CG-CG 3.78Å; H998-M1041 VanDerWaalsContact CA-SD 3.58Å; H998-M1041 HydrophobicContact CB-SD 3.68Å; Y1001-M1041 HydrophobicContact CD2-CE 4.27Å; Y1001-M1041 HydrophobicContact CG-CE 4.05Å; C1037-M1041 WeakPolarHBondContact O-CG 3.34Å; C1037-M1041 PolarHBondContact O-N 3.25Å; K1038-M1041 HydrophobicContact CG-CE 4.29Å; K1038-M1041 PolarHBondContact O-N 3.42Å; K1038-M1041 VanDerWaalsContact O-N 3.14Å; M1041-S1045 WeakPolarHBondContact O-CB 3.32Å; M1041-S1045 PolarHBondContact O-N 3.43Å; M1041-S1045 PolarHBondContact O-OG 3.35Å |
| 1042 | D | 98.4 | Very high | 98 | Very high | 107 Ų | 107 | 64.7 Ų | 64.7 | 57% | 0.572 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.9 | -49.1 | 177.3 | -69.1 | -28.9 | 0 | 0 | 0 | 111.1 | K1038 V1040 I1044 S1045 E1046 | K1038-D1042 PolarHBondContact O-N 3.03Å; V1040-D1042 VanDerWaalsContact C-N 3.33Å; V1040-D1042 PolarHBondContact O-N 3.46Å; D1042-I1044 PolarHBondContact O-N 3.3Å; D1042-S1045 WeakPolarHBondContact O-CB 3.48Å; D1042-S1045 PolarHBondContact O-N 3.31Å; D1042-S1045 VanDerWaalsContact O-N 3.14Å; D1042-E1046 PolarHBondContact O-N 2.88Å |
| 1043 | Q | 98.4 | Very high | 98 | Very high | 106 Ų | 106 | 68.7 Ų | 68.7 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 178.9 | -75.7 | 176.1 | 3 | 0 | 0 | 113 | L1039 V1040 S1045 A1047 | L1039-Q1043 HydrophobicContact CD1-CG 4.37Å; L1039-Q1043 WeakPolarHBondContact O-CB 3.46Å; L1039-Q1043 VanDerWaalsContact O-CG 3.22Å; L1039-Q1043 WeakPolarHBondContact O-CG 3.27Å; L1039-Q1043 PolarHBondContact O-N 2.96Å; V1040-Q1043 PolarHBondContact O-N 3.21Å; Q1043-S1045 VanDerWaalsContact C-N 3.31Å; Q1043-A1047 VanDerWaalsContact O-CB 3.26Å; Q1043-A1047 WeakPolarHBondContact O-CB 3.48Å; Q1043-A1047 PolarHBondContact O-N 3.11Å |
| 1044 | I | 98.4 | Very high | 97.8 | Very high | 18 Ų | 18 | 70.1 Ų | 70.1 | 9% | 0.092 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 174.8 | -66.3 | 162.7 | 0 | 0 | 0 | 110.3 | L990 L993 T994 V1040 D1042 A1047 R1048 | L990-I1044 HydrophobicContact CB-CG2 3.96Å; L990-I1044 HydrophobicContact CD2-CG2 4.27Å; L990-I1044 VanDerWaalsContact O-CG2 3.28Å; L990-I1044 WeakPolarHBondContact O-CG2 3.32Å; L993-I1044 HydrophobicContact CB-CD1 4.38Å; L993-I1044 HydrophobicContact CD2-CD1 3.72Å; L993-I1044 HydrophobicContact CD2-CG1 4.25Å; L993-I1044 HydrophobicContact CG-CD1 3.77Å; T994-I1044 VanDerWaalsContact OG1-CG2 3.23Å; T994-I1044 WeakPolarHBondContact OG1-CG2 3.27Å; V1040-I1044 HydrophobicContact CG1-CD1 3.57Å; V1040-I1044 HydrophobicContact CG1-CG1 4.32Å; V1040-I1044 WeakPolarHBondContact O-CB 3.43Å; V1040-I1044 WeakPolarHBondContact O-CD1 3.42Å; V1040-I1044 WeakPolarHBondContact O-CG1 3.49Å; V1040-I1044 PolarHBondContact O-N 3.37Å; D1042-I1044 PolarHBondContact O-N 3.3Å; I1044-A1047 PolarHBondContact O-N 3.27Å; I1044-R1048 VanDerWaalsContact O-CB 3.28Å; I1044-R1048 WeakPolarHBondContact O-CB 3.08Å; I1044-R1048 PolarHBondContact O-N 3.04Å |
| 1045 | S | 98 | Very high | 97.7 | Very high | 28 Ų | 28 | 71 Ų | 71 | 20% | 0.196 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.8 | -44.1 | 178.1 | -61.7 | 0 | 0 | 0 | 0 | 112 | M1041 D1042 Q1043 A1047 R1048 D1049 | M1041-S1045 WeakPolarHBondContact O-CB 3.32Å; M1041-S1045 PolarHBondContact O-N 3.43Å; M1041-S1045 PolarHBondContact O-OG 3.35Å; D1042-S1045 WeakPolarHBondContact O-CB 3.48Å; D1042-S1045 PolarHBondContact O-N 3.31Å; D1042-S1045 VanDerWaalsContact O-N 3.14Å; Q1043-S1045 VanDerWaalsContact C-N 3.31Å; S1045-A1047 PolarHBondContact O-N 3.43Å; S1045-R1048 WeakPolarHBondContact O-CB 3.16Å; S1045-R1048 PolarHBondContact O-N 2.92Å; S1045-D1049 WeakPolarHBondContact O-CB 3.45Å; S1045-D1049 PolarHBondContact O-N 3.34Å |
| 1046 | E | 98.1 | Very high | 97.6 | Very high | 135 Ų | 135 | 70 Ų | 70 | 63% | 0.631 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.9 | -41.9 | 174.7 | -173.7 | -177.7 | -171 | 0 | 0 | 111.6 | D1042 D1049 S1050 | D1042-E1046 PolarHBondContact O-N 2.88Å; E1046-D1049 PolarHBondContact O-N 2.87Å; E1046-S1050 WeakPolarHBondContact O-CB 3.37Å; E1046-S1050 PolarHBondContact O-N 2.94Å; E1046-S1050 PolarHBondContact O-OG 2.85Å |
| 1047 | A | 98.3 | Very high | 97.4 | Very high | 52 Ų | 52 | 66.7 Ų | 66.7 | 43% | 0.43 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1043 I1044 S1045 M1051 | Q1043-A1047 VanDerWaalsContact O-CB 3.26Å; Q1043-A1047 WeakPolarHBondContact O-CB 3.48Å; Q1043-A1047 PolarHBondContact O-N 3.11Å; I1044-A1047 PolarHBondContact O-N 3.27Å; S1045-A1047 PolarHBondContact O-N 3.43Å; A1047-M1051 VanDerWaalsContact O-CB 3.25Å; A1047-M1051 WeakPolarHBondContact O-CB 3.2Å; A1047-M1051 PolarHBondContact O-N 2.88Å |
| 1048 | R | 98.1 | Very high | 97.2 | Very high | 50 Ų | 50 | 68.8 Ų | 68.8 | 19% | 0.189 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56.6 | -50.4 | 174 | 180 | -161 | 71.3 | -144.7 | -3.5 | 111 | A987 L990 I1044 S1045 M1051 L1052 | A987-R1048 HydrophobicContact CB-CG 3.93Å; L990-R1048 HydrophobicContact CB-CB 4.11Å; L990-R1048 HydrophobicContact CB-CG 4.38Å; L990-R1048 HydrophobicContact CD1-CB 4Å; I1044-R1048 VanDerWaalsContact O-CB 3.28Å; I1044-R1048 WeakPolarHBondContact O-CB 3.08Å; I1044-R1048 PolarHBondContact O-N 3.04Å; S1045-R1048 WeakPolarHBondContact O-CB 3.16Å; S1045-R1048 PolarHBondContact O-N 2.92Å; R1048-M1051 PolarHBondContact O-N 3.17Å; R1048-L1052 HydrophobicContact CG-CD1 4.29Å; R1048-L1052 WeakPolarHBondContact O-CG 3.28Å; R1048-L1052 PolarHBondContact O-N 3.42Å |
| 1049 | D | 97.8 | Very high | 97 | Very high | 63 Ų | 63 | 68.4 Ų | 68.4 | 34% | 0.337 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -74.3 | -35.6 | -174.4 | -67.4 | -12.7 | 0 | 0 | 0 | 111.7 | S1045 E1046 M1051 L1052 K1053 | S1045-D1049 WeakPolarHBondContact O-CB 3.45Å; S1045-D1049 PolarHBondContact O-N 3.34Å; E1046-D1049 PolarHBondContact O-N 2.87Å; D1049-M1051 VanDerWaalsContact C-N 3.34Å; D1049-L1052 PolarHBondContact O-N 3.05Å; D1049-K1053 VanDerWaalsContact O-CG 3.32Å; D1049-K1053 WeakPolarHBondContact O-CG 3.33Å; D1049-K1053 PolarHBondContact O-N 3.05Å |
| 1050 | S | 96.9 | Very high | 96.9 | Very high | 47 Ų | 47 | 71.4 Ų | 71.4 | 33% | 0.329 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.8 | -32.1 | 174 | -60.4 | 0 | 0 | 0 | 0 | 112.7 | E1046 K1053 | E1046-S1050 WeakPolarHBondContact O-CB 3.37Å; E1046-S1050 PolarHBondContact O-N 2.94Å; E1046-S1050 PolarHBondContact O-OG 2.85Å; S1050-K1053 PolarHBondContact OG-NZ 3.45Å |
| 1051 | M | 97.1 | Very high | 96.6 | Very high | 45 Ų | 45 | 71.1 Ų | 71.1 | 22% | 0.222 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70 | -35.5 | 169.3 | -175.1 | -178.6 | 54 | 0 | 0 | 112.1 | V983 C986 A987 L990 A1047 R1048 D1049 V1054 | V983-M1051 HydrophobicContact CG1-CG 4.01Å; C986-M1051 HydrophobicContact CB-CE 3.7Å; C986-M1051 HydrophobicContact CB-SD 3.89Å; A987-M1051 HydrophobicContact CB-CE 3.93Å; A987-M1051 VanDerWaalsContact N-CE 3.34Å; L990-M1051 HydrophobicContact CD1-CE 3.68Å; A1047-M1051 VanDerWaalsContact O-CB 3.25Å; A1047-M1051 WeakPolarHBondContact O-CB 3.2Å; A1047-M1051 PolarHBondContact O-N 2.88Å; R1048-M1051 PolarHBondContact O-N 3.17Å; D1049-M1051 VanDerWaalsContact C-N 3.34Å; M1051-V1054 WeakPolarHBondContact O-CB 3.32Å; M1051-V1054 WeakPolarHBondContact O-CG2 3.38Å; M1051-V1054 PolarHBondContact O-N 3.5Å |
| 1052 | L | 97 | Very high | 96.4 | Very high | 51 Ų | 51 | 72.2 Ų | 72.2 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.5 | -35.6 | 175.5 | -75.5 | 169.6 | 0 | 0 | 0 | 112.9 | V983 H984 A987 R1048 D1049 V1054 L1055 | V983-L1052 HydrophobicContact CG1-CD2 4.26Å; H984-L1052 WeakPolarHBondContact ND1-CD2 3.38Å; A987-L1052 HydrophobicContact CB-CD1 4.07Å; A987-L1052 HydrophobicContact CB-CD2 3.88Å; A987-L1052 HydrophobicContact CB-CG 3.94Å; R1048-L1052 HydrophobicContact CG-CD1 4.29Å; R1048-L1052 WeakPolarHBondContact O-CG 3.28Å; R1048-L1052 PolarHBondContact O-N 3.42Å; D1049-L1052 PolarHBondContact O-N 3.05Å; L1052-V1054 PolarHBondContact O-N 2.88Å; L1052-L1055 WeakPolarHBondContact O-CB 3.41Å; L1052-L1055 PolarHBondContact O-N 3.11Å |
| 1053 | K | 97.2 | Very high | 96.2 | Very high | 113 Ų | 113 | 73.7 Ų | 73.7 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -55.5 | -23.9 | 173.8 | -70.6 | 165.8 | -153.6 | 158.4 | 0 | 113.3 | D1049 S1050 L1055 D1056 | D1049-K1053 VanDerWaalsContact O-CG 3.32Å; D1049-K1053 WeakPolarHBondContact O-CG 3.33Å; D1049-K1053 PolarHBondContact O-N 3.05Å; S1050-K1053 PolarHBondContact OG-NZ 3.45Å; K1053-L1055 PolarHBondContact O-N 2.9Å; K1053-L1055 VanDerWaalsContact O-N 3.09Å; K1053-D1056 WeakPolarHBondContact CA-OD2 3.47Å; K1053-D1056 WeakPolarHBondContact O-CB 3.48Å; K1053-D1056 VanDerWaalsContact O-CG 3.23Å; K1053-D1056 PolarHBondContact O-N 3.24Å |
| 1054 | V | 93.8 | Very high | 95.9 | Very high | 82 Ų | 82 | 72.5 Ų | 72.5 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19.2 | 172.3 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | M1051 L1052 H1057 | M1051-V1054 WeakPolarHBondContact O-CB 3.32Å; M1051-V1054 WeakPolarHBondContact O-CG2 3.38Å; M1051-V1054 PolarHBondContact O-N 3.5Å; L1052-V1054 PolarHBondContact O-N 2.88Å; V1054-H1057 PolarHBondContact O-CE1 2.76Å; V1054-H1057 PolarHBondContact O-ND1 3.36Å |
| 1055 | L | 95.6 | Very high | 95.7 | Very high | 31 Ų | 31 | 72.2 Ų | 72.2 | 16% | 0.162 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -3.6 | 176.5 | -55 | -178.9 | 0 | 0 | 0 | 114.3 | V983 H984 L1052 K1053 H1057 K1058 | V983-L1055 HydrophobicContact CB-CD1 4.14Å; V983-L1055 HydrophobicContact CG1-CD1 3.74Å; V983-L1055 HydrophobicContact CG1-CG 4.03Å; H984-L1055 WeakPolarHBondContact CE1-CD1 3.48Å; H984-L1055 WeakPolarHBondContact NE2-CD1 3.43Å; L1052-L1055 WeakPolarHBondContact O-CB 3.41Å; L1052-L1055 PolarHBondContact O-N 3.11Å; K1053-L1055 PolarHBondContact O-N 2.9Å; K1053-L1055 VanDerWaalsContact O-N 3.09Å; L1055-H1057 PolarHBondContact O-N 3.28Å; L1055-K1058 WeakPolarHBondContact O-CB 3.42Å; L1055-K1058 PolarHBondContact O-N 3.28Å |
| 1056 | D | 95.8 | Very high | 95.3 | Very high | 109 Ų | 109 | 76 Ų | 76 | 58% | 0.583 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -13.1 | 179.4 | -63.7 | -11 | 0 | 0 | 0 | 113.9 | K1053 R1060 | K1053-D1056 WeakPolarHBondContact CA-OD2 3.47Å; K1053-D1056 WeakPolarHBondContact O-CB 3.48Å; K1053-D1056 VanDerWaalsContact O-CG 3.23Å; K1053-D1056 PolarHBondContact O-N 3.24Å; D1056-R1060 PolarHBondContact O-NH1 3.45Å; D1056-R1060 PolarHBondContact O-NH2 3.39Å |
| 1057 | H | 94.6 | Very high | 95 | Very high | 87 Ų | 87 | 77.6 Ų | 77.6 | 40% | 0.403 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 4.3 | 174.9 | 71.6 | -69.5 | 0 | 0 | 0 | 113.7 | V1054 L1055 D1059 R1060 V1061 | V1054-H1057 PolarHBondContact O-CE1 2.76Å; V1054-H1057 PolarHBondContact O-ND1 3.36Å; L1055-H1057 PolarHBondContact O-N 3.28Å; H1057-D1059 PolarHBondContact O-N 2.92Å; H1057-R1060 VanDerWaalsContact CB-NH2 3.34Å; H1057-R1060 WeakPolarHBondContact O-CA 3.42Å; H1057-R1060 WeakPolarHBondContact O-CB 3.2Å; H1057-R1060 PolarHBondContact O-N 2.85Å; H1057-V1061 WeakPolarHBondContact CD2-CG2 3.29Å; H1057-V1061 PolarHBondContact O-N 3.46Å |
| 1058 | K | 94.7 | Very high | 94.6 | Very high | 53 Ų | 53 | 77.4 Ų | 77.4 | 23% | 0.23 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -47.4 | -52.6 | -179 | -179.7 | -174 | 77.7 | 166.6 | 0 | 112.8 | A978 L1055 R1060 V1061 L1062 | A978-K1058 WeakPolarHBondContact O-CG 3.5Å; L1055-K1058 WeakPolarHBondContact O-CB 3.42Å; L1055-K1058 PolarHBondContact O-N 3.28Å; K1058-R1060 VanDerWaalsContact C-N 3.26Å; K1058-R1060 PolarHBondContact O-N 3.5Å; K1058-V1061 CarbonylContact O-C 3.6Å; K1058-V1061 WeakPolarHBondContact O-CB 3.43Å; K1058-V1061 PolarHBondContact O-N 2.78Å; K1058-L1062 WeakPolarHBondContact O-CB 3.29Å; K1058-L1062 PolarHBondContact O-N 2.86Å |
| 1059 | D | 94.8 | Very high | 93.9 | Very high | 92 Ų | 92 | 76 Ų | 76 | 49% | 0.492 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -72.7 | -22.6 | -174.9 | -59 | -41.2 | 0 | 0 | 0 | 112.5 | H1057 K1063 | H1057-D1059 PolarHBondContact O-N 2.92Å; D1059-K1063 VanDerWaalsContact O-CB 3.28Å; D1059-K1063 WeakPolarHBondContact O-CB 3.49Å; D1059-K1063 VanDerWaalsContact O-CD 3.26Å; D1059-K1063 WeakPolarHBondContact O-CD 3.36Å; D1059-K1063 WeakPolarHBondContact O-CG 3.39Å; D1059-K1063 PolarHBondContact O-N 3.29Å; D1059-K1063 VanDerWaalsContact O-N 3.09Å |
| 1060 | R | 94.7 | Very high | 92.5 | Very high | 158 Ų | 158 | 76.6 Ų | 76.6 | 60% | 0.596 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -71.8 | -45.1 | 170.1 | -59.8 | -170.2 | -73.2 | -73.4 | 7.7 | 109.9 | D1056 H1057 K1058 K1063 L1064 | D1056-R1060 PolarHBondContact O-NH1 3.45Å; D1056-R1060 PolarHBondContact O-NH2 3.39Å; H1057-R1060 VanDerWaalsContact CB-NH2 3.34Å; H1057-R1060 WeakPolarHBondContact O-CA 3.42Å; H1057-R1060 WeakPolarHBondContact O-CB 3.2Å; H1057-R1060 PolarHBondContact O-N 2.85Å; K1058-R1060 VanDerWaalsContact C-N 3.26Å; K1058-R1060 PolarHBondContact O-N 3.5Å; R1060-K1063 PolarHBondContact O-N 3.04Å; R1060-L1064 WeakPolarHBondContact O-CG 3.48Å; R1060-L1064 PolarHBondContact O-N 3.33Å |
| 1061 | V | 93.8 | Very high | 90.7 | Very high | 44 Ų | 44 | 80.6 Ų | 80.6 | 27% | 0.267 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 174.4 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | A978 H1057 K1058 K1063 L1064 L1065 | A978-V1061 HydrophobicContact CB-CG1 4.15Å; H1057-V1061 WeakPolarHBondContact CD2-CG2 3.29Å; H1057-V1061 PolarHBondContact O-N 3.46Å; K1058-V1061 CarbonylContact O-C 3.6Å; K1058-V1061 WeakPolarHBondContact O-CB 3.43Å; K1058-V1061 PolarHBondContact O-N 2.78Å; V1061-K1063 VanDerWaalsContact C-N 3.34Å; V1061-K1063 PolarHBondContact O-N 3.25Å; V1061-L1064 WeakPolarHBondContact O-CB 3.44Å; V1061-L1064 PolarHBondContact O-N 3.24Å; V1061-L1064 VanDerWaalsContact O-N 3.09Å; V1061-L1065 HydrophobicContact CG1-CD1 3.74Å; V1061-L1065 HydrophobicContact CG1-CG 4.13Å; V1061-L1065 WeakPolarHBondContact O-CG 3.4Å; V1061-L1065 PolarHBondContact O-N 3.43Å |
| 1062 | L | 93.1 | Very high | 88.8 | Confident | 46 Ų | 46 | 86.6 Ų | 86.6 | 24% | 0.241 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.7 | -37.4 | -179.9 | -173.3 | 60.6 | 0 | 0 | 0 | 111.8 | K1058 L1065 N1066 | K1058-L1062 WeakPolarHBondContact O-CB 3.29Å; K1058-L1062 PolarHBondContact O-N 2.86Å; L1062-L1065 PolarHBondContact O-N 2.81Å; L1062-N1066 VanDerWaalsContact O-CB 3.32Å; L1062-N1066 WeakPolarHBondContact O-CB 3.41Å; L1062-N1066 PolarHBondContact O-N 3.22Å; L1062-N1066 PolarHBondContact O-ND2 3.09Å |
| 1063 | K | 93.7 | Very high | 86.4 | Confident | 138 Ų | 138 | 92.3 Ų | 92.3 | 60% | 0.6 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.5 | -37.8 | 171 | -75.5 | 167.2 | -171.7 | 174.5 | 0 | 112.2 | D1059 R1060 V1061 K1067 | D1059-K1063 VanDerWaalsContact O-CB 3.28Å; D1059-K1063 WeakPolarHBondContact O-CB 3.49Å; D1059-K1063 VanDerWaalsContact O-CD 3.26Å; D1059-K1063 WeakPolarHBondContact O-CD 3.36Å; D1059-K1063 WeakPolarHBondContact O-CG 3.39Å; D1059-K1063 PolarHBondContact O-N 3.29Å; D1059-K1063 VanDerWaalsContact O-N 3.09Å; R1060-K1063 PolarHBondContact O-N 3.04Å; V1061-K1063 VanDerWaalsContact C-N 3.34Å; V1061-K1063 PolarHBondContact O-N 3.25Å; K1063-K1067 WeakPolarHBondContact O-CB 3.37Å; K1063-K1067 WeakPolarHBondContact O-CG 3.2Å; K1063-K1067 PolarHBondContact O-N 2.96Å; K1063-K1067 VanDerWaalsContact O-N 3.1Å |
| 1064 | L | 93.5 | Very high | 83.9 | Confident | 80 Ų | 80 | 92.9 Ų | 92.9 | 42% | 0.419 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.3 | -48.7 | 174.1 | -70.7 | 168.5 | 0 | 0 | 0 | 111.8 | R1060 V1061 N1066 K1067 N1068 | R1060-L1064 WeakPolarHBondContact O-CG 3.48Å; R1060-L1064 PolarHBondContact O-N 3.33Å; V1061-L1064 WeakPolarHBondContact O-CB 3.44Å; V1061-L1064 PolarHBondContact O-N 3.24Å; V1061-L1064 VanDerWaalsContact O-N 3.09Å; L1064-N1066 VanDerWaalsContact C-N 3.27Å; L1064-N1066 PolarHBondContact O-N 2.94Å; L1064-K1067 PolarHBondContact O-N 3.3Å; L1064-K1067 VanDerWaalsContact O-N 3.11Å; L1064-N1068 WeakPolarHBondContact O-CB 3.46Å; L1064-N1068 PolarHBondContact O-N 2.83Å; L1064-N1068 PolarHBondContact O-OD1 3.32Å |
| 1065 | L | 92.8 | Very high | 81.4 | Confident | 12 Ų | 12 | 93.2 Ų | 93.2 | 6% | 0.063 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -58.1 | -37.6 | 177 | -67.5 | 171.5 | 0 | 0 | 0 | 112.2 | I968 A969 V974 A978 V1061 L1062 G1069 | I968-L1065 HydrophobicContact CG2-CD2 4.07Å; A969-L1065 HydrophobicContact CB-CD2 4.13Å; V974-L1065 HydrophobicContact CG1-CD1 4.32Å; V974-L1065 HydrophobicContact CG1-CD2 4.07Å; V974-L1065 HydrophobicContact CG2-CD1 3.97Å; V974-L1065 HydrophobicContact CG2-CD2 3.77Å; A978-L1065 HydrophobicContact CB-CD1 3.77Å; V1061-L1065 HydrophobicContact CG1-CD1 3.74Å; V1061-L1065 HydrophobicContact CG1-CG 4.13Å; V1061-L1065 WeakPolarHBondContact O-CG 3.4Å; V1061-L1065 PolarHBondContact O-N 3.43Å; L1062-L1065 PolarHBondContact O-N 2.81Å; L1065-G1069 WeakPolarHBondContact O-CA 3.18Å; L1065-G1069 PolarHBondContact O-N 3.1Å |
| 1066 | N | 90.3 | Very high | 78.9 | Confident | 108 Ų | 108 | 101 Ų | 101 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -74.9 | -32.7 | 176.4 | -70.4 | -17.3 | 0 | 0 | 0 | 113.1 | L1062 L1064 | L1062-N1066 VanDerWaalsContact O-CB 3.32Å; L1062-N1066 WeakPolarHBondContact O-CB 3.41Å; L1062-N1066 PolarHBondContact O-N 3.22Å; L1062-N1066 PolarHBondContact O-ND2 3.09Å; L1064-N1066 VanDerWaalsContact C-N 3.27Å; L1064-N1066 PolarHBondContact O-N 2.94Å |
| 1067 | K | 91.9 | Very high | 76.5 | Confident | 169 Ų | 169 | 103.5 Ų | 103.5 | 74% | 0.735 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.4 | -36.2 | 174.2 | -78.1 | 173.1 | 177.9 | -170.3 | 0 | 112.8 | K1063 L1064 | K1063-K1067 WeakPolarHBondContact O-CB 3.37Å; K1063-K1067 WeakPolarHBondContact O-CG 3.2Å; K1063-K1067 PolarHBondContact O-N 2.96Å; K1063-K1067 VanDerWaalsContact O-N 3.1Å; L1064-K1067 PolarHBondContact O-N 3.3Å; L1064-K1067 VanDerWaalsContact O-N 3.11Å |
| 1068 | N | 88.7 | Confident | 73.8 | Confident | 48 Ų | 48 | 106.6 Ų | 106.6 | 26% | 0.257 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -98.7 | -3.7 | -176.7 | -70.4 | 92.2 | 0 | 0 | 0 | 113.3 | L965 Q966 A969 L1064 | L965-N1068 HydrophobicContact CD2-CB 4.39Å; L965-N1068 WeakPolarHBondContact CD2-OD1 3.4Å; L965-N1068 HydrophobicContact CG-CB 3.95Å; Q966-N1068 PolarHBondContact NE2-O 3.04Å; Q966-N1068 PolarHBondContact OE1-O 3.09Å; A969-N1068 VanDerWaalsContact CB-C 3.43Å; A969-N1068 HydrophobicContact CB-CB 3.9Å; A969-N1068 WeakPolarHBondContact CB-O 3.36Å; L1064-N1068 WeakPolarHBondContact O-CB 3.46Å; L1064-N1068 PolarHBondContact O-N 2.83Å; L1064-N1068 PolarHBondContact O-OD1 3.32Å |
| 1069 | G | 83.6 | Confident | 71.6 | Confident | 19 Ų | 19 | 115.2 Ų | 115.2 | 20% | 0.196 | 56% | 0.562 | C | S | . | * | S | Bend | trans | -72.8 | 139.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1065 V1071 | L1065-G1069 WeakPolarHBondContact O-CA 3.18Å; L1065-G1069 PolarHBondContact O-N 3.1Å; G1069-V1071 PolarHBondContact O-N 3.21Å; G1069-V1071 VanDerWaalsContact O-N 3.11Å |
| 1070 | T | 69.9 | Low | 69.3 | Low | 76 Ų | 76 | 120.7 Ų | 120.7 | 47% | 0.466 | 58% | 0.582 | S | S | . | * | | | trans | -59.6 | 119.1 | 171.5 | 43.4 | 0 | 0 | 0 | 0 | 110.3 | N970 K1072 | N970-T1070 WeakPolarHBondContact OD1-CB 2.96Å; N970-T1070 WeakPolarHBondContact OD1-CG2 3.3Å; N970-T1070 PolarHBondContact OD1-N 3.08Å; N970-T1070 PolarHBondContact OD1-OG1 3.42Å; T1070-K1072 PolarHBondContact O-N 3.01Å |
| 1071 | V | 57.7 | Low | 66.7 | Low | 131 Ų | 131 | 119.9 Ų | 119.9 | 79% | 0.794 | 59% | 0.585 | S | S | * | * | | | trans | -68.5 | 84.9 | 172.2 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | G1069 K1073 | G1069-V1071 PolarHBondContact O-N 3.21Å; G1069-V1071 VanDerWaalsContact O-N 3.11Å; V1071-K1073 PolarHBondContact O-N 2.74Å |
| 1072 | K | 57.3 | Low | 64.3 | Low | 171 Ų | 171 | 127.7 Ų | 127.7 | 74% | 0.743 | 62% | 0.615 | S | S | * | * | | | trans | -57.8 | 113.6 | 174.4 | -70.6 | -170.1 | 176.7 | -174.1 | 0 | 107.9 | T1070 V1074 | T1070-K1072 PolarHBondContact O-N 3.01Å; K1072-V1074 VanDerWaalsContact C-N 3.35Å; K1072-V1074 WeakPolarHBondContact O-CG2 3.26Å; K1072-V1074 PolarHBondContact O-N 2.93Å |
| 1073 | K | 46.6 | Very low | 61.7 | Low | 172 Ų | 172 | 135.6 Ų | 135.6 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | | | trans | -67.8 | 86.4 | -170.4 | -67 | -172.5 | 178.7 | -176.1 | 0 | 111.8 | V1071 S1075 K1076 | V1071-K1073 PolarHBondContact O-N 2.74Å; K1073-S1075 PolarHBondContact O-N 3.39Å; K1073-S1075 VanDerWaalsContact O-N 3.09Å; K1073-K1076 PolarHBondContact O-N 3.2Å |
| 1074 | V | 45.9 | Very low | 60.1 | Low | 124 Ų | 124 | 135.5 Ų | 135.5 | 75% | 0.752 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -58.8 | -19.6 | 174.6 | -165.1 | 0 | 0 | 0 | 0 | 111.8 | K1072 K1076 L1077 | K1072-V1074 VanDerWaalsContact C-N 3.35Å; K1072-V1074 WeakPolarHBondContact O-CG2 3.26Å; K1072-V1074 PolarHBondContact O-N 2.93Å; V1074-K1076 PolarHBondContact O-N 2.99Å; V1074-L1077 PolarHBondContact O-N 2.61Å |
| 1075 | S | 40.7 | Very low | 58.4 | Low | 90 Ų | 90 | 138.4 Ų | 138.4 | 63% | 0.629 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -57.6 | -14.2 | 176 | 61.6 | 0 | 0 | 0 | 0 | 115.4 | K1073 L1077 | K1073-S1075 PolarHBondContact O-N 3.39Å; K1073-S1075 VanDerWaalsContact O-N 3.09Å; S1075-L1077 PolarHBondContact O-N 2.98Å |
| 1076 | K | 42.5 | Very low | 56.5 | Low | 193 Ų | 193 | 145.4 Ų | 145.4 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -71.4 | -10.1 | 170.6 | -81.6 | -160.4 | 172.2 | -171 | 0 | 114.8 | K1073 V1074 | K1073-K1076 PolarHBondContact O-N 3.2Å; V1074-K1076 PolarHBondContact O-N 2.99Å |
| 1077 | L | 45.1 | Very low | 54.5 | Low | 163 Ų | 163 | 147.6 Ų | 147.6 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -101.9 | 7.4 | 177 | -149.2 | 73.1 | 0 | 0 | 0 | 114.7 | V1074 S1075 | V1074-L1077 PolarHBondContact O-N 2.61Å; S1075-L1077 PolarHBondContact O-N 2.98Å |
| 1078 | K | 39.3 | Very low | 52.1 | Low | 151 Ų | 151 | 146.3 Ų | 146.3 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -104.6 | 13.7 | 177.8 | -119.5 | -59.5 | 177.9 | -164.8 | 0 | 115.1 | E1081 | K1078-E1081 IonicContact NZ-OE2 2.74Å; K1078-E1081 PolarHBondContact NZ-OE2 3.38Å |
| 1079 | R | 47.6 | Very low | 49.7 | Very low | 235 Ų | 235 | 152.9 Ų | 152.9 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -121.6 | 21.4 | -173.9 | -146.3 | -179.5 | -166.4 | 141.5 | 3.8 | 115 | | |
| 1080 | K | 46.2 | Very low | 47.3 | Very low | 207 Ų | 207 | 162.4 Ų | 162.4 | 90% | 0.9 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -135.7 | 40.5 | 172.5 | -150.4 | -178.5 | -177.2 | -175.1 | 0 | 112.4 | | |
| 1081 | E | 40.7 | Very low | 45.5 | Very low | 141 Ų | 141 | 169.1 Ų | 169.1 | 66% | 0.659 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -140.6 | 47.9 | 177.1 | -168.6 | -162.9 | -173.5 | 0 | 0 | 108 | K1078 | K1078-E1081 IonicContact NZ-OE2 2.74Å; K1078-E1081 PolarHBondContact NZ-OE2 3.38Å |
| 1082 | K | 42.7 | Very low | 44.5 | Very low | 207 Ų | 207 | 172.3 Ų | 172.3 | 90% | 0.9 | 82% | 0.821 | S | S | * | * | | | trans | -174.7 | 62.8 | 173.4 | -112.2 | -177.7 | -178.4 | -170.2 | 0 | 110 | | |
| 1083 | V | 39.8 | Very low | 43.4 | Very low | 213 Ų | 213 | 172.4 Ų | 172.4 | 100% | 1.291 | 83% | 0.829 | S | S | * | * | | | trans | -141.8 | 0 | 156.1 | -177.2 | 0 | 0 | 0 | 0 | 104.8 | | |