| 1 | M | 32.1 | Very low | 34 | Very low | 208 Ų | 208 | 142.1 Ų | 142.1 | 100% | 1.025 | 78% | 0.776 | S | S | * | * | | | | 0 | 88.9 | 0 | -63.3 | 75.7 | -168.5 | 0 | 0 | 106.3 | | |
| 2 | E | 37.8 | Very low | 33.5 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | cis | 72 | 146.4 | 42.6 | -49.9 | 145.5 | 121.2 | 0 | 0 | 112.3 | | |
| 3 | D | 36.7 | Very low | 32.9 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | | | trans | 69.3 | 137.2 | 170.3 | -55.6 | -16.5 | 0 | 0 | 0 | 119 | | |
| 4 | L | 36.8 | Very low | 32.6 | Very low | 133 Ų | 133 | 137 Ų | 137 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | | | cis | -161.7 | 167 | -29.9 | -148.3 | 66 | 0 | 0 | 0 | 109.1 | | |
| 5 | D | 34.8 | Very low | 32.3 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 67% | 0.674 | 77% | 0.769 | S | S | * | * | | | trans | 53.5 | 126.6 | 157.3 | -65.6 | -22.8 | 0 | 0 | 0 | 121.4 | S7 | D5-S7 PolarHBondContact O-N 3.07Å; D5-S7 PolarHBondContact O-OG 3.32Å |
| 6 | Q | 35.1 | Very low | 33.4 | Very low | 203 Ų | 203 | 134 Ų | 134 | 95% | 0.949 | 77% | 0.769 | S | S | * | * | | | trans | -58.5 | 113.2 | 158.8 | -69.6 | -177.9 | -0 | 0 | 0 | 109.7 | | |
| 7 | S | 35.1 | Very low | 34.3 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | | | trans | -86.2 | -165.5 | 175.8 | -57.6 | 0 | 0 | 0 | 0 | 109.4 | D5 | D5-S7 PolarHBondContact O-N 3.07Å; D5-S7 PolarHBondContact O-OG 3.32Å |
| 8 | P | 39.8 | Very low | 34 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -79.1 | 174.8 | -173.5 | 36 | -36.2 | 0 | 0 | 0 | 112.8 | | |
| 9 | L | 30 | Very low | 34.7 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | | | trans | 79.2 | 121.4 | 173 | -51.7 | 175.8 | 0 | 0 | 0 | 113.7 | | |
| 10 | V | 29.6 | Very low | 34.6 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | | | | 90.6 | 112.2 | 52.5 | 167.6 | 0 | 0 | 0 | 0 | 113 | | |
| 11 | S | 26.1 | Very low | 35.1 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | | | trans | 65 | 114.2 | 150.4 | -65.1 | 0 | 0 | 0 | 0 | 122.5 | | |
| 12 | S | 27.6 | Very low | 35.2 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | | | | 77.2 | 143.3 | 113.8 | -53 | 0 | 0 | 0 | 0 | 123.4 | | |
| 13 | S | 26 | Very low | 35 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | | | trans | 97 | 138.1 | 135.6 | -118.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 14 | D | 28.9 | Very low | 34.7 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | | | trans | 72.8 | 117.5 | 148.1 | -70.1 | -68.2 | 0 | 0 | 0 | 123.7 | | |
| 15 | S | 27.6 | Very low | 34.3 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | | | trans | -56.3 | 155.1 | 155.2 | 38.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 16 | P | 51.1 | Low | 34.1 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | | | | -141.4 | -169.9 | 96.8 | 41.1 | -27.2 | 0 | 0 | 0 | 111.6 | | |
| 17 | P | 48.3 | Very low | 33.9 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | | | cis | -129.9 | -143.4 | -0.8 | 44.2 | -25.7 | 0 | 0 | 0 | 113.4 | | |
| 18 | R | 28.8 | Very low | 33.6 | Very low | 185 Ų | 185 | 129.7 Ų | 129.7 | 70% | 0.698 | 72% | 0.719 | S | S | * | * | | | trans | -156.2 | 167.3 | 172.4 | -139.6 | -178.3 | -172.8 | 180 | 2.4 | 108 | Q20 | R18-Q20 HydrophobicContact CG-CG 4.43Š|
| 19 | P | 46.6 | Very low | 33.2 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 71% | 0.708 | S | S | * | * | | | | -143.8 | 157.8 | 76.5 | 45.1 | -29.2 | 0 | 0 | 0 | 112.5 | | |
| 20 | Q | 34.2 | Very low | 33.3 | Very low | 82 Ų | 82 | 129.2 Ų | 129.2 | 38% | 0.383 | 70% | 0.698 | S | S | . | * | | | cis | 57 | 139 | 49.2 | -77.8 | -81.5 | -49.2 | 0 | 0 | 113 | R18 | R18-Q20 HydrophobicContact CG-CG 4.43Š|
| 21 | P | 45 | Very low | 34.4 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 80% | 0.799 | 68% | 0.681 | S | S | * | * | | | cis | -108.7 | -173.5 | 30.5 | 7.3 | 17.6 | 0 | 0 | 0 | 112.9 | | |
| 22 | A | 33.8 | Very low | 34.7 | Very low | 72 Ų | 72 | 129.2 Ų | 129.2 | 60% | 0.595 | 68% | 0.683 | S | S | * | * | | | cis | -160.5 | 139.2 | -21.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 23 | F | 32.9 | Very low | 35 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 65% | 0.654 | 68% | 0.68 | S | S | * | * | | | | 44.3 | 127.9 | 86.6 | -61.9 | -56 | 0 | 0 | 0 | 114 | | |
| 24 | K | 30.6 | Very low | 35.4 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 72% | 0.717 | 68% | 0.683 | S | S | * | * | | | cis | -157 | 153.4 | 8.9 | -103.5 | 163.2 | -175.1 | -179.5 | 0 | 108.8 | | |
| 25 | Y | 29.4 | Very low | 35.6 | Very low | 203 Ų | 203 | 134 Ų | 134 | 80% | 0.796 | 68% | 0.682 | S | S | * | * | | | | 39.3 | 136 | 92 | -71.9 | -96.7 | 0 | 0 | 0 | 114.8 | | |
| 26 | Q | 30.6 | Very low | 36 | Very low | 128 Ų | 128 | 137 Ų | 137 | 60% | 0.598 | 68% | 0.684 | S | S | * | * | | | cis | 178.2 | 152 | 0.5 | 151.5 | 178.5 | 41.8 | 0 | 0 | 111.4 | | |
| 27 | F | 29.9 | Very low | 35.2 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 79% | 0.794 | 69% | 0.687 | S | S | * | * | | | trans | 61.6 | 163.9 | 173 | -62.9 | -42.2 | 0 | 0 | 0 | 115.1 | | |
| 28 | V | 29.1 | Very low | 34.6 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 71% | 0.709 | 69% | 0.687 | S | S | * | * | | | cis | -141.7 | 149.7 | 19.8 | -179.1 | 0 | 0 | 0 | 0 | 110 | | |
| 29 | R | 31.2 | Very low | 35.1 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 49% | 0.487 | 70% | 0.696 | S | S | . | * | | | | 142.2 | 116 | 129.9 | -166.2 | 171.6 | -60.7 | 143.6 | -9.1 | 115.5 | Y531 V532 T533 | R29-Y531 PolarHBondContact NH1-OH 3.38Å; R29-V532 VanDerWaalsContact NE-CG1 3.3Å; R29-T533 HydrophobicContact CG-CG2 4.01Å |
| 30 | E | 31.3 | Very low | 34.6 | Very low | 132 Ų | 132 | 145 Ų | 145 | 62% | 0.617 | 70% | 0.698 | S | S | * | * | | | trans | -103.4 | 173.8 | 156.4 | -95.3 | 170.6 | -146.2 | 0 | 0 | 108.4 | | |
| 31 | P | 52.6 | Low | 34.9 | Very low | 61 Ų | 61 | 150 Ų | 150 | 40% | 0.396 | 72% | 0.721 | S | S | . | * | | | cis | -135 | -164.1 | -25.1 | 36.1 | -16.4 | 0 | 0 | 0 | 112.6 | | |
| 32 | E | 33.3 | Very low | 34.5 | Very low | 162 Ų | 162 | 153.6 Ų | 153.6 | 76% | 0.757 | 73% | 0.728 | S | S | * | * | | | trans | 64.5 | 144.9 | 153.8 | -68.7 | 148.7 | -151.1 | 0 | 0 | 118.5 | | |
| 33 | D | 33.4 | Very low | 34.8 | Very low | 132 Ų | 132 | 157.8 Ų | 157.8 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | | | cis | -165.2 | 179.2 | -16.8 | -106.7 | -4.9 | 0 | 0 | 0 | 109.3 | | |
| 34 | E | 34.8 | Very low | 35.1 | Very low | 169 Ų | 169 | 159.1 Ų | 159.1 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | | | trans | 67.4 | 154.9 | 165.5 | -67.6 | 158.4 | -172.6 | 0 | 0 | 117 | | |
| 35 | E | 34.2 | Very low | 35.6 | Very low | 156 Ų | 156 | 158.4 Ų | 158.4 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | | | cis | -158.2 | 157.5 | -5.8 | -122.7 | 170.4 | -171.6 | 0 | 0 | 111.7 | | |
| 36 | E | 34.4 | Very low | 36.2 | Very low | 169 Ų | 169 | 157.1 Ų | 157.1 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | trans | 37.7 | 174.2 | 149.8 | -68.8 | -174.1 | 166 | 0 | 0 | 126.5 | | |
| 37 | E | 34.2 | Very low | 36.7 | Very low | 177 Ų | 177 | 158.7 Ų | 158.7 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | | | trans | 67.7 | 127.2 | 175 | -60.5 | -179 | 176.2 | 0 | 0 | 117 | | |
| 38 | E | 37.5 | Very low | 37 | Very low | 175 Ų | 175 | 156.8 Ų | 156.8 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | cis | 94.2 | 177.4 | 46.4 | -71.2 | -167.6 | 174.3 | 0 | 0 | 113.2 | | |
| 39 | E | 37.9 | Very low | 37.5 | Very low | 191 Ų | 191 | 158.1 Ų | 158.1 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | | | trans | 80.9 | 98.3 | -152.1 | -56.1 | 178.4 | 180 | 0 | 0 | 112 | | |
| 40 | E | 36 | Very low | 37.8 | Very low | 172 Ų | 172 | 160.3 Ų | 160.3 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | | 61 | 112.8 | 55.9 | -55.6 | -161.1 | 147.9 | 0 | 0 | 111.5 | | |
| 41 | E | 40.5 | Very low | 38 | Very low | 186 Ų | 186 | 162.1 Ų | 162.1 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | | 55.6 | 113.1 | 85.8 | -72.4 | -164.9 | -175.8 | 0 | 0 | 113.2 | | |
| 42 | E | 37.1 | Very low | 37.3 | Very low | 200 Ų | 200 | 166.8 Ų | 166.8 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | | | trans | -149.4 | 157.1 | 140.1 | -139.6 | 169.9 | -143.2 | 0 | 0 | 110 | | |
| 43 | E | 40.5 | Very low | 37.5 | Very low | 160 Ų | 160 | 167.8 Ų | 167.8 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | | | trans | -97.5 | 174.5 | -173.7 | -61.2 | 169.3 | 115.4 | 0 | 0 | 110.6 | | |
| 44 | D | 39 | Very low | 37.5 | Very low | 177 Ų | 177 | 166.8 Ų | 166.8 | 95% | 0.947 | 81% | 0.811 | S | S | * | * | | | trans | -127.2 | 103.1 | 157.6 | -95.8 | -46.7 | 0 | 0 | 0 | 106.9 | | |
| 45 | E | 40.7 | Very low | 37.5 | Very low | 149 Ų | 149 | 166.3 Ų | 166.3 | 70% | 0.696 | 81% | 0.813 | S | S | * | * | | | trans | -85.8 | 150.9 | 170.2 | -61.9 | -172.2 | 112.7 | 0 | 0 | 110.7 | | |
| 46 | D | 41.2 | Very low | 37.5 | Very low | 177 Ų | 177 | 166.2 Ų | 166.2 | 95% | 0.947 | 81% | 0.812 | S | S | * | * | | | trans | -114.5 | 108.7 | 162.9 | -90.9 | -48.1 | 0 | 0 | 0 | 108.4 | | |
| 47 | E | 41.6 | Very low | 37.4 | Very low | 161 Ų | 161 | 168 Ų | 168 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | | | trans | -88.2 | -160.4 | 180 | -81.8 | -150.9 | 106.7 | 0 | 0 | 113.4 | | |
| 48 | D | 37.7 | Very low | 37.3 | Very low | 140 Ų | 140 | 168.4 Ų | 168.4 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | | | trans | 77.9 | 113 | 173.5 | -64 | -29.9 | 0 | 0 | 0 | 117.2 | | |
| 49 | L | 39.4 | Very low | 37.4 | Very low | 145 Ų | 145 | 166.2 Ų | 166.2 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | | | cis | 78 | 126.2 | 45.4 | -62 | 169.4 | 0 | 0 | 0 | 115.1 | | |
| 50 | E | 36.6 | Very low | 36.9 | Very low | 176 Ų | 176 | 161.5 Ų | 161.5 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | | 174 | 170.4 | 111.8 | -89.9 | -147.6 | 129.6 | 0 | 0 | 114 | | |
| 51 | E | 36.1 | Very low | 36.6 | Very low | 170 Ų | 170 | 158.2 Ų | 158.2 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | 56 | 122.7 | 172.7 | -58.7 | -165.2 | 130.9 | 0 | 0 | 119.5 | | |
| 52 | L | 38.2 | Very low | 36.1 | Very low | 158 Ų | 158 | 154.3 Ų | 154.3 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | | | cis | 82.4 | 104.4 | 25.5 | -56.6 | 172.4 | 0 | 0 | 0 | 117.4 | | |
| 53 | E | 36.4 | Very low | 35.6 | Very low | 184 Ų | 184 | 147.9 Ų | 147.9 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | 175.9 | 161.8 | 135.2 | -95.5 | -146.6 | 134.7 | 0 | 0 | 110 | | |
| 54 | V | 34.4 | Very low | 35.1 | Very low | 110 Ų | 110 | 148.6 Ų | 148.6 | 67% | 0.667 | 80% | 0.803 | S | S | * | * | | | cis | -163.5 | 137.1 | -48.2 | 122.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 55 | L | 33.9 | Very low | 34.6 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | 37.4 | 126.3 | 160.5 | -61.6 | 170.5 | 0 | 0 | 0 | 122.5 | | |
| 56 | E | 34.7 | Very low | 34.1 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | | | | -169.4 | 170.5 | 121.5 | -99 | -104.4 | 43 | 0 | 0 | 115.2 | | |
| 57 | R | 32.3 | Very low | 33.4 | Very low | 205 Ų | 205 | 138.8 Ų | 138.8 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | | | trans | -49 | 129.5 | -159.8 | -76.5 | 161.3 | 172 | 97.8 | -0.6 | 123.2 | | |
| 58 | K | 32.1 | Very low | 33.6 | Very low | 187 Ų | 187 | 136.5 Ų | 136.5 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | -33.7 | 139.5 | 138.8 | 170.8 | 167.8 | -178.6 | 172.8 | 0 | 115.2 | | |
| 59 | P | 38.7 | Very low | 33.1 | Very low | 129 Ų | 129 | 136 Ų | 136 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | | | | -137.4 | 159.1 | 97.4 | 39.3 | -28.2 | 0 | 0 | 0 | 116.2 | | |
| 60 | A | 27.7 | Very low | 33.2 | Very low | 91 Ų | 91 | 134 Ų | 134 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | -146.6 | 148 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 61 | A | 29.6 | Very low | 32.8 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | | | trans | -167.1 | 152 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 62 | A | 31 | Very low | 32.4 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | | | cis | -169.4 | 151.9 | -22.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 63 | G | 26.8 | Very low | 32.7 | Very low | 64 Ų | 64 | 126.4 Ų | 126.4 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | | | trans | 136.7 | 91.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 64 | L | 29.3 | Very low | 32.4 | Very low | 176 Ų | 176 | 122 Ų | 122 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | | | | 69.5 | 132.1 | 83.5 | -66.4 | 170.2 | 0 | 0 | 0 | 114 | | |
| 65 | S | 29 | Very low | 32.3 | Very low | 103 Ų | 103 | 121.7 Ų | 121.7 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | | | cis | -171.6 | 148.4 | -10.8 | -168.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 66 | A | 29.5 | Very low | 32 | Very low | 100 Ų | 100 | 116.2 Ų | 116.2 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | | | trans | 69.3 | 158.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 67 | A | 26.8 | Very low | 31.6 | Very low | 93 Ų | 93 | 112.4 Ų | 112.4 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | trans | -108.8 | -160.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 68 | P | 45 | Very low | 32.3 | Very low | 113 Ų | 113 | 106 Ų | 106 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | cis | -142.1 | 179.8 | 0.9 | 44.9 | -25.2 | 0 | 0 | 0 | 117.7 | | |
| 69 | V | 27.4 | Very low | 32.2 | Very low | 130 Ų | 130 | 102.9 Ų | 102.9 | 79% | 0.788 | 74% | 0.739 | S | S | * | * | | | trans | 21.5 | 142 | 134.6 | 179.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 70 | P | 41.2 | Very low | 31.9 | Very low | 103 Ų | 103 | 102.4 Ų | 102.4 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | | | cis | -142.4 | -167.8 | 14.7 | 28.7 | -1.9 | 0 | 0 | 0 | 118.3 | | |
| 71 | T | 27.6 | Very low | 31.9 | Very low | 137 Ų | 137 | 100.9 Ų | 100.9 | 84% | 0.84 | 71% | 0.706 | S | S | * | * | | | trans | 83.5 | 152.2 | 140.2 | 30.5 | 0 | 0 | 0 | 0 | 124.7 | | |
| 72 | A | 28.4 | Very low | 32 | Very low | 87 Ų | 87 | 104.2 Ų | 104.2 | 72% | 0.719 | 70% | 0.702 | S | S | * | * | | | trans | -94.8 | -162.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 73 | P | 44.6 | Very low | 31.9 | Very low | 121 Ų | 121 | 102.3 Ų | 102.3 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | | | cis | -147.3 | 178.5 | 11.3 | 46.1 | -25.5 | 0 | 0 | 0 | 119.4 | | |
| 74 | A | 30.6 | Very low | 32.1 | Very low | 92 Ų | 92 | 106.2 Ų | 106.2 | 76% | 0.76 | 70% | 0.698 | S | S | * | * | | | trans | 31.9 | 143.3 | 139 | 0 | 0 | 0 | 0 | 0 | 127.1 | | |
| 75 | A | 31.1 | Very low | 32.1 | Very low | 103 Ų | 103 | 103.9 Ų | 103.9 | 85% | 0.851 | 69% | 0.686 | S | S | * | * | | | trans | 67.7 | 156.3 | 139.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 76 | G | 27.6 | Very low | 32.1 | Very low | 43 Ų | 43 | 108.7 Ų | 108.7 | 44% | 0.443 | 70% | 0.695 | S | S | . | * | | | cis | 166.6 | 134.2 | -16.9 | 0 | 0 | 0 | 0 | 0 | 118 | T577 K578 | G76-T577 CarbonylContact O-C 3.11Å; G76-K578 PolarHBondContact O-N 3.27Å |
| 77 | A | 28.1 | Very low | 32.4 | Very low | 76 Ų | 76 | 110.1 Ų | 110.1 | 63% | 0.628 | 69% | 0.693 | S | S | * | * | | | trans | 54.4 | -152.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | K578 M579 | A77-K578 CarbonylContact O-C 3.25Å; A77-K578 WeakPolarHBondContact O-CA 3.34Å; A77-K578 PolarHBondContact O-N 3.31Å; A77-M579 PolarHBondContact O-N 3.35Å |
| 78 | P | 46.2 | Very low | 33 | Very low | 70 Ų | 70 | 111.3 Ų | 111.3 | 46% | 0.455 | 69% | 0.693 | S | S | . | * | | | | -111.8 | 179.2 | -79.2 | 19.9 | -0.6 | 0 | 0 | 0 | 113.4 | M579 | P78-M579 PolarHBondContact O-N 2.89Š|
| 79 | L | 31.1 | Very low | 33.1 | Very low | 122 Ų | 122 | 111.8 Ų | 111.8 | 64% | 0.639 | 70% | 0.696 | S | S | * | * | | | cis | 176.9 | 155.5 | -21.4 | 179.1 | 61.7 | 0 | 0 | 0 | 110.7 | D580 | L79-D580 WeakPolarHBondContact CA-OD1 3.29Å; L79-D580 PolarHBondContact N-OD1 3.17Å |
| 80 | M | 32.4 | Very low | 33.6 | Very low | 119 Ų | 119 | 110 Ų | 110 | 59% | 0.586 | 69% | 0.694 | S | S | * | * | | | trans | 93.4 | 146.1 | 171.6 | -64.1 | -169 | 157 | 0 | 0 | 117.3 | L581 | M80-L581 WeakPolarHBondContact O-CD1 3.31Å; M80-L581 WeakPolarHBondContact O-CD2 3.5Å |
| 81 | D | 27.6 | Very low | 33.8 | Very low | 59 Ų | 59 | 110.4 Ų | 110.4 | 32% | 0.316 | 70% | 0.697 | S | S | . | * | | | cis | -176 | -177.7 | -17.7 | -177.3 | 21.3 | 0 | 0 | 0 | 107 | N207 | D81-N207 PolarHBondContact OD2-ND2 3.46Š|
| 82 | F | 30.2 | Very low | 34 | Very low | 172 Ų | 172 | 115.8 Ų | 115.8 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | | | trans | 73.5 | 117.9 | 167.9 | -62.7 | -83.4 | 0 | 0 | 0 | 120 | N207 | F82-N207 VanDerWaalsContact CZ-ND2 3.32Å; F82-N207 WeakPolarHBondContact CZ-ND2 3.32Å |
| 83 | G | 29 | Very low | 34 | Very low | 65 Ų | 65 | 115.2 Ų | 115.2 | 67% | 0.67 | 70% | 0.704 | S | S | * | * | | | | 106.6 | 107.7 | 92.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 84 | N | 32 | Very low | 33.8 | Very low | 146 Ų | 146 | 115.9 Ų | 115.9 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | | | trans | 72.8 | 146.9 | 133.2 | -94.2 | 49 | 0 | 0 | 0 | 124.8 | | |
| 85 | D | 28.8 | Very low | 34.2 | Very low | 127 Ų | 127 | 118.7 Ų | 118.7 | 68% | 0.679 | 71% | 0.71 | S | S | * | * | | | trans | 58.8 | 113.1 | 150.3 | -64.8 | -51.4 | 0 | 0 | 0 | 121.3 | | |
| 86 | F | 28.8 | Very low | 34.8 | Very low | 205 Ų | 205 | 117.2 Ų | 117.2 | 90% | 0.899 | 69% | 0.692 | S | S | * | * | | | | -178.4 | 155.2 | 107.4 | -110.3 | -86.2 | 0 | 0 | 0 | 112.7 | | |
| 87 | V | 36.1 | Very low | 34.8 | Very low | 129 Ų | 129 | 118.3 Ų | 118.3 | 78% | 0.782 | 70% | 0.697 | S | S | * | * | | | trans | -128.6 | 131.4 | 179.6 | 171.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 88 | P | 40.3 | Very low | 34.9 | Very low | 118 Ų | 118 | 117.4 Ų | 117.4 | 77% | 0.766 | 69% | 0.69 | S | S | * | * | | | | -156.2 | -150.9 | 81.8 | 37.1 | -11 | 0 | 0 | 0 | 114.5 | | |
| 89 | P | 46.5 | Very low | 35.4 | Very low | 124 Ų | 124 | 119.7 Ų | 119.7 | 81% | 0.805 | 71% | 0.705 | S | S | * | * | | | | -126.6 | 179.8 | -73.8 | 39.3 | -22.7 | 0 | 0 | 0 | 115.6 | | |
| 90 | A | 36.7 | Very low | 35.6 | Very low | 91 Ų | 91 | 120.2 Ų | 120.2 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | | | trans | -84.9 | 179.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 91 | P | 45.4 | Very low | 35.4 | Very low | 113 Ų | 113 | 119.2 Ų | 119.2 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | | | | -159.4 | 146.9 | 97.3 | 38.9 | -18.3 | 0 | 0 | 0 | 121.3 | | |
| 92 | R | 32.3 | Very low | 35.6 | Very low | 250 Ų | 250 | 121 Ų | 121 | 94% | 0.943 | 75% | 0.748 | S | S | * | * | | | trans | 75.6 | 141.5 | 140.4 | -69.9 | 172 | 174.7 | 159.2 | -0.6 | 123.3 | | |
| 93 | G | 28.2 | Very low | 36 | Very low | 74 Ų | 74 | 119.1 Ų | 119.1 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | | | trans | -99.6 | -151.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 94 | P | 40.7 | Very low | 36 | Very low | 136 Ų | 136 | 123.3 Ų | 123.3 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | | | | -145.2 | -175.7 | 54.4 | 42 | -22.7 | 0 | 0 | 0 | 118.3 | | |
| 95 | L | 38.5 | Very low | 35.8 | Very low | 150 Ų | 150 | 125.7 Ų | 125.7 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | | | trans | -87.1 | -155.7 | 175.8 | -94.7 | 170.4 | 0 | 0 | 0 | 112.8 | | |
| 96 | P | 44.4 | Very low | 35.6 | Very low | 72 Ų | 72 | 127.2 Ų | 127.2 | 47% | 0.468 | 76% | 0.757 | S | S | . | * | | | cis | -97.8 | -151 | -23.9 | -6.5 | 25.5 | 0 | 0 | 0 | 117.7 | Q635 P636 | P96-Q635 VanDerWaalsContact N-OE1 3.17Å; P96-Q635 PolarHBondContact O-NE2 3.32Å; P96-Q635 PolarHBondContact O-OE1 2.83Å; P96-P636 HydrophobicContact CB-CB 3.84Å; P96-P636 HydrophobicContact CG-CB 4.15Å |
| 97 | A | 28.4 | Very low | 36.3 | Very low | 67 Ų | 67 | 122.6 Ų | 122.6 | 55% | 0.554 | 75% | 0.748 | S | S | * | * | | | trans | 169.5 | 146.7 | 145.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 98 | A | 28.9 | Very low | 35.7 | Very low | 57 Ų | 57 | 121.6 Ų | 121.6 | 47% | 0.471 | 75% | 0.746 | S | S | . | * | | | trans | 168.2 | 168.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q635 P636 S637 | A98-Q635 PolarHBondContact N-O 3.09Å; A98-Q635 VanDerWaalsContact O-O 3.14Å; A98-P636 CarbonylContact O-C 3.59Å; A98-P636 WeakPolarHBondContact O-CA 3.36Å; A98-S637 PolarHBondContact O-N 2.95Å |
| 99 | P | 56.3 | Low | 35.2 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | cis | -129.9 | -174.4 | -48.6 | 42.1 | -27.2 | 0 | 0 | 0 | 112.9 | | |
| 100 | P | 36 | Very low | 34.1 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | | | trans | -137.8 | 177.5 | 157.9 | 39.7 | -24.9 | 0 | 0 | 0 | 115.8 | | |
| 101 | A | 28.6 | Very low | 34.4 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | -146 | -174.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 102 | A | 31.3 | Very low | 33.8 | Very low | 95 Ų | 95 | 130.3 Ų | 130.3 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | trans | 78.5 | 158.7 | 173 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 103 | P | 38.8 | Very low | 34.1 | Very low | 133 Ų | 133 | 124 Ų | 124 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | | | | -132.4 | 165.7 | 72.4 | 39.8 | -28.1 | 0 | 0 | 0 | 117.1 | | |
| 104 | E | 28.4 | Very low | 34.1 | Very low | 154 Ų | 154 | 126.6 Ų | 126.6 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | | | trans | -111.2 | 161.4 | 168.9 | -76.6 | -167.4 | 101.5 | 0 | 0 | 112.6 | | |
| 105 | R | 28.7 | Very low | 33.7 | Very low | 196 Ų | 196 | 124.8 Ų | 124.8 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | | | trans | 132 | 109.4 | 136.6 | -74.5 | -164.4 | 179.3 | 141 | 10.9 | 114.7 | | |
| 106 | Q | 25.6 | Very low | 33.3 | Very low | 158 Ų | 158 | 122.2 Ų | 122.2 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | | | | 84.7 | 158.8 | 80.8 | -85.4 | -172 | -4.6 | 0 | 0 | 113.8 | | |
| 107 | P | 43.1 | Very low | 32.3 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | | | cis | -137.3 | 175.2 | -25.9 | 38.4 | -21.9 | 0 | 0 | 0 | 114.3 | | |
| 108 | S | 23.2 | Very low | 32.8 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | | 161.8 | 139.9 | 123.5 | 52.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 109 | W | 28.6 | Very low | 33.9 | Very low | 258 Ų | 258 | 131.4 Ų | 131.4 | 98% | 0.977 | 78% | 0.778 | S | S | * | * | | | trans | 41.7 | 132.3 | 150.5 | -63.3 | -8.6 | 0 | 0 | 0 | 126.1 | | |
| 110 | D | 25.2 | Very low | 32.5 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | | | trans | -52.6 | 169.4 | 152 | -74.6 | -68.6 | 0 | 0 | 0 | 115.1 | | |
| 111 | P | 41.2 | Very low | 33.2 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | cis | -137.6 | 177.2 | 18.6 | 42.9 | -25.4 | 0 | 0 | 0 | 118.1 | | |
| 112 | S | 33.5 | Very low | 33.2 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | -68.3 | 165.3 | 168.8 | -33.9 | 0 | 0 | 0 | 0 | 114 | | |
| 113 | P | 39.1 | Very low | 33.2 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | | | | -143.8 | 134.5 | 95.2 | 36.3 | -20.5 | 0 | 0 | 0 | 115.1 | | |
| 114 | V | 27 | Very low | 32.8 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | | | | 61.2 | 111.2 | 101.2 | -175.4 | 0 | 0 | 0 | 0 | 116 | | |
| 115 | S | 32.2 | Very low | 33 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | trans | -76.4 | 138.5 | 166.8 | 180 | 0 | 0 | 0 | 0 | 112.4 | | |
| 116 | S | 30 | Very low | 33.2 | Very low | 96 Ų | 96 | 124.4 Ų | 124.4 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | trans | -175 | 149.7 | 153.9 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 117 | T | 24.2 | Very low | 33.6 | Very low | 141 Ų | 141 | 121.6 Ų | 121.6 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | | | trans | -159.3 | 130.5 | 148.6 | -83.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 118 | V | 38.9 | Very low | 33 | Very low | 131 Ų | 131 | 121 Ų | 121 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | -160.8 | 170.7 | -176.6 | -74.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 119 | P | 52.5 | Low | 33.3 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | | | cis | -130.3 | -171.4 | 3.4 | 39.5 | -20.9 | 0 | 0 | 0 | 114.7 | | |
| 120 | A | 26.7 | Very low | 33.4 | Very low | 90 Ų | 90 | 115.5 Ų | 115.5 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -66 | 160.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 121 | P | 50.2 | Low | 34.4 | Very low | 127 Ų | 127 | 113.7 Ų | 113.7 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 162.1 | -143.7 | 33.2 | -37.9 | 0 | 0 | 0 | 118.6 | | |
| 122 | S | 29.6 | Very low | 33.7 | Very low | 113 Ų | 113 | 113.1 Ų | 113.1 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 167.5 | 173.1 | 38.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 123 | S | 31.6 | Very low | 33.5 | Very low | 102 Ų | 102 | 116.8 Ų | 116.8 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | cis | -165.4 | -154.8 | -8.4 | 48.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 124 | L | 30.3 | Very low | 32.9 | Very low | 152 Ų | 152 | 117.5 Ų | 117.5 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | | | cis | -163.4 | 149.1 | 14.1 | -138.5 | 177.6 | 0 | 0 | 0 | 112.3 | | |
| 125 | S | 32.8 | Very low | 33 | Very low | 104 Ų | 104 | 117 Ų | 117 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -17.3 | 140.7 | 165.7 | -160.7 | 0 | 0 | 0 | 0 | 123 | | |
| 126 | A | 32.6 | Very low | 32.9 | Very low | 92 Ų | 92 | 119.4 Ų | 119.4 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | | | | 177.6 | 138.1 | 93.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 127 | A | 32.4 | Very low | 32.8 | Very low | 98 Ų | 98 | 122.1 Ų | 122.1 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | trans | 76.3 | 108.3 | 146.6 | 0 | 0 | 0 | 0 | 0 | 124.6 | | |
| 128 | A | 31.2 | Very low | 33 | Very low | 97 Ų | 97 | 123 Ų | 123 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | | | | 104.3 | 144.7 | 120.9 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 129 | V | 28.9 | Very low | 32.4 | Very low | 144 Ų | 144 | 125 Ų | 125 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | | | trans | 87 | 142.7 | 164.4 | -165.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 130 | S | 31.5 | Very low | 32.7 | Very low | 106 Ų | 106 | 124 Ų | 124 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | | | trans | -105.9 | -170.7 | -172.6 | -40.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 131 | P | 45.4 | Very low | 33.9 | Very low | 113 Ų | 113 | 125 Ų | 125 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | cis | -144.6 | -176.2 | 5.4 | 44.8 | -25.4 | 0 | 0 | 0 | 118.4 | | |
| 132 | S | 27.4 | Very low | 32.8 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | | | trans | 91 | 112.3 | 142.8 | -67.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 133 | K | 29.4 | Very low | 32.8 | Very low | 178 Ų | 178 | 129.1 Ų | 129.1 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | | | | 92.8 | 121.8 | 125.7 | -86.7 | -166.2 | 154.8 | -162.4 | 0 | 122.3 | | |
| 134 | L | 26.3 | Very low | 33.5 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | | | trans | 74.9 | 144.5 | 135.8 | -62.2 | 175.1 | 0 | 0 | 0 | 118.4 | | |
| 135 | L | 28.2 | Very low | 34.6 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 62% | 0.623 | 76% | 0.757 | S | S | * | * | | | cis | -165.8 | 139.3 | -7 | 160.1 | 145.1 | 0 | 0 | 0 | 112.5 | | |
| 136 | E | 30.6 | Very low | 35.6 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | | | trans | 54.1 | 124.3 | 157.3 | -69.1 | 145.3 | 40.5 | 0 | 0 | 120.1 | | |
| 137 | D | 28.5 | Very low | 36.4 | Very low | 153 Ų | 153 | 129.2 Ų | 129.2 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | cis | 86.4 | 148.3 | 36.2 | -54.2 | -42.2 | 0 | 0 | 0 | 113.2 | | |
| 138 | D | 27.7 | Very low | 37.4 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | | | cis | -143.7 | -178.7 | 16.4 | -163.4 | -2.3 | 0 | 0 | 0 | 111.9 | | |
| 139 | E | 27.5 | Very low | 38.1 | Very low | 174 Ų | 174 | 130.4 Ų | 130.4 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | | | trans | -103.7 | -109.4 | -175.4 | -171.5 | -161.5 | 71.9 | 0 | 0 | 116.1 | | |
| 140 | P | 57.3 | Low | 38.1 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 62% | 0.623 | 74% | 0.74 | S | S | * | * | | | trans | -117.5 | -137.5 | -153.7 | 42.9 | -23.8 | 0 | 0 | 0 | 112.4 | | |
| 141 | P | 51.7 | Low | 37.7 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | cis | -139.2 | 177.1 | -21.6 | 35.9 | -14.7 | 0 | 0 | 0 | 117.5 | | |
| 142 | A | 29.1 | Very low | 36.9 | Very low | 87 Ų | 87 | 128.7 Ų | 128.7 | 72% | 0.719 | 74% | 0.744 | S | S | * | * | | | trans | 43.5 | 133.5 | 136.7 | 0 | 0 | 0 | 0 | 0 | 126.2 | | |
| 143 | R | 28.1 | Very low | 37 | Very low | 239 Ų | 239 | 128.8 Ų | 128.8 | 90% | 0.902 | 74% | 0.744 | S | S | * | * | | | trans | 61.3 | 172.3 | 133.4 | -85 | -171.2 | -177.5 | -173.9 | 3.8 | 120.3 | | |
| 144 | P | 47.5 | Very low | 37.8 | Very low | 112 Ų | 112 | 125.3 Ų | 125.3 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | cis | -123.4 | -118.1 | -24.7 | 26.4 | -1 | 0 | 0 | 0 | 114.7 | | |
| 145 | P | 53 | Low | 37.7 | Very low | 114 Ų | 114 | 128 Ų | 128 | 74% | 0.74 | 75% | 0.749 | S | S | * | * | | | | -129.7 | -143.3 | -111.9 | 49.8 | -30.3 | 0 | 0 | 0 | 116 | | |
| 146 | P | 53.9 | Low | 37.6 | Very low | 112 Ų | 112 | 127 Ų | 127 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -125.2 | -128.1 | -133.1 | 35.1 | -6.2 | 0 | 0 | 0 | 111.2 | | |
| 147 | P | 49.5 | Very low | 37.6 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | cis | -121.6 | -89.3 | -25 | 20.3 | 4.3 | 0 | 0 | 0 | 120.7 | | |
| 148 | P | 52.8 | Low | 38.2 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -130.7 | -145.9 | -139.1 | 45.7 | -24.3 | 0 | 0 | 0 | 112.6 | | |
| 149 | P | 46.1 | Very low | 38.2 | Very low | 112 Ų | 112 | 123.2 Ų | 123.2 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | cis | -138.1 | -166.2 | -13 | 38.7 | -17.8 | 0 | 0 | 0 | 115.7 | | |
| 150 | A | 28 | Very low | 38.2 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | trans | 78.4 | 152.1 | 142.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 151 | S | 24.4 | Very low | 36.8 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | cis | -174 | -172.5 | -16.3 | 53.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 152 | V | 28.8 | Very low | 37 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | | | trans | 94.4 | 136.8 | 158.1 | -156.1 | 0 | 0 | 0 | 0 | 119 | | |
| 153 | S | 28.5 | Very low | 37.8 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | -96.1 | -144.1 | 175.2 | -39.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 154 | P | 45.4 | Very low | 38 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | | | cis | -133.6 | -177.1 | -16.8 | 41.1 | -22.7 | 0 | 0 | 0 | 115.7 | | |
| 155 | Q | 25.9 | Very low | 37.7 | Very low | 189 Ų | 189 | 123.1 Ų | 123.1 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | | | trans | 44.1 | 131.7 | 147.8 | -79 | -173.9 | -22.2 | 0 | 0 | 122.8 | | |
| 156 | A | 26.3 | Very low | 36.7 | Very low | 99 Ų | 99 | 121.9 Ų | 121.9 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | | -179.9 | 151.4 | 100.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 157 | E | 28.9 | Very low | 36.2 | Very low | 176 Ų | 176 | 122.2 Ų | 122.2 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | trans | -91.2 | 178 | 164.9 | -55.8 | -173.8 | 128 | 0 | 0 | 111.5 | | |
| 158 | P | 42.8 | Very low | 35.2 | Very low | 129 Ų | 129 | 121.3 Ų | 121.3 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | | -143.6 | 161.3 | 86 | 37.2 | -20.6 | 0 | 0 | 0 | 116.4 | | |
| 159 | A | 26.9 | Very low | 34 | Very low | 75 Ų | 75 | 120.8 Ų | 120.8 | 62% | 0.62 | 77% | 0.774 | S | S | * | * | | | trans | -84.6 | -175.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 160 | W | 26.4 | Very low | 34.5 | Very low | 249 Ų | 249 | 121 Ų | 121 | 94% | 0.943 | 78% | 0.776 | S | S | * | * | | | trans | -174.9 | 157.8 | 137.6 | -109.8 | 73.7 | 0 | 0 | 0 | 110.9 | | |
| 161 | T | 29.5 | Very low | 35 | Very low | 118 Ų | 118 | 122.2 Ų | 122.2 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | | | trans | -154.6 | 175.5 | -168.5 | 49.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 162 | P | 54.7 | Low | 34.9 | Very low | 119 Ų | 119 | 122.2 Ų | 122.2 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | cis | -109.4 | -106.8 | -3.9 | 21 | 4.2 | 0 | 0 | 0 | 113.5 | | |
| 163 | P | 46.9 | Very low | 34.9 | Very low | 120 Ų | 120 | 122.1 Ų | 122.1 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | cis | -125.3 | -150.3 | 20.7 | 45.3 | -28.6 | 0 | 0 | 0 | 115.2 | | |
| 164 | A | 31.7 | Very low | 35.6 | Very low | 89 Ų | 89 | 122.3 Ų | 122.3 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | | | trans | -154.5 | -171.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 165 | P | 42.2 | Very low | 34.5 | Very low | 123 Ų | 123 | 121.5 Ų | 121.5 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | cis | -143 | -170.7 | 7.5 | 45.2 | -24.9 | 0 | 0 | 0 | 117.1 | | |
| 166 | A | 31.7 | Very low | 34.8 | Very low | 87 Ų | 87 | 117.1 Ų | 117.1 | 72% | 0.719 | 77% | 0.773 | S | S | * | * | | | trans | -84.8 | 172.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 167 | P | 43 | Very low | 35.6 | Very low | 120 Ų | 120 | 117.8 Ų | 117.8 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | | -160.3 | 176.2 | 65.9 | 45.1 | -23.5 | 0 | 0 | 0 | 119.3 | | |
| 168 | A | 27.4 | Very low | 35.5 | Very low | 93 Ų | 93 | 118.6 Ų | 118.6 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | 55.5 | 128.1 | 135.5 | 0 | 0 | 0 | 0 | 0 | 125.6 | | |
| 169 | A | 27.6 | Very low | 35 | Very low | 98 Ų | 98 | 122.2 Ų | 122.2 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | | 88.5 | 157.8 | 125.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 170 | P | 58.2 | Low | 35.2 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | -110 | -175.4 | -155 | 44.5 | -36.5 | 0 | 0 | 0 | 114.6 | | |
| 171 | P | 37.2 | Very low | 35.4 | Very low | 114 Ų | 114 | 120.3 Ų | 120.3 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | | | | -152.9 | 168 | 94.1 | 41.3 | -23.7 | 0 | 0 | 0 | 118.1 | | |
| 172 | S | 23.9 | Very low | 35.3 | Very low | 106 Ų | 106 | 120.1 Ų | 120.1 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | trans | 8.3 | 135 | 145.5 | -48.9 | 0 | 0 | 0 | 0 | 123.5 | | |
| 173 | T | 28.2 | Very low | 34.4 | Very low | 129 Ų | 129 | 119.9 Ų | 119.9 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | | 14.5 | 162 | 127.3 | 28.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 174 | P | 42 | Very low | 33.8 | Very low | 112 Ų | 112 | 117.9 Ų | 117.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | cis | -141.5 | 178.6 | -9.5 | 39.4 | -19.8 | 0 | 0 | 0 | 117.2 | | |
| 175 | A | 24.2 | Very low | 33.6 | Very low | 90 Ų | 90 | 119.4 Ų | 119.4 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | | | trans | 56.7 | 110.7 | 141.2 | 0 | 0 | 0 | 0 | 0 | 124.6 | | |
| 176 | A | 31.9 | Very low | 33.4 | Very low | 97 Ų | 97 | 119.8 Ų | 119.8 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | | | trans | 69.7 | 169.4 | 133.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 177 | P | 41.4 | Very low | 33.4 | Very low | 113 Ų | 113 | 120.7 Ų | 120.7 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | cis | -134.2 | 173.1 | 1.3 | 44 | -27.8 | 0 | 0 | 0 | 117.6 | | |
| 178 | K | 28.8 | Very low | 32.9 | Very low | 193 Ų | 193 | 120.4 Ų | 120.4 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | | | trans | 23.5 | 142.2 | 141.5 | -68.3 | 170 | 179.8 | 166.5 | 0 | 119.7 | | |
| 179 | R | 31.4 | Very low | 33.3 | Very low | 204 Ų | 204 | 118.9 Ų | 118.9 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | | | cis | -171.6 | 150.4 | 29.9 | -141 | -176.6 | -176.4 | -174.5 | 2.6 | 114.8 | | |
| 180 | R | 31.1 | Very low | 33.6 | Very low | 216 Ų | 216 | 119.7 Ų | 119.7 | 82% | 0.815 | 73% | 0.728 | S | S | * | * | | | trans | 66.1 | 124.2 | 140.8 | 176.6 | -178.5 | -77.6 | -159.3 | -7 | 121.6 | | |
| 181 | G | 30.9 | Very low | 32.4 | Very low | 68 Ų | 68 | 122 Ų | 122 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | | | trans | 155.6 | 113 | 135.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 182 | S | 27.7 | Very low | 32 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | | | trans | 55.4 | 112.3 | 165.2 | -134.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 183 | S | 35.5 | Very low | 32.5 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | | | cis | 77 | 123.9 | 34.1 | 84.6 | 0 | 0 | 0 | 0 | 116 | | |
| 184 | G | 34.8 | Very low | 33.4 | Very low | 78 Ų | 78 | 122.8 Ų | 122.8 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | | | cis | 155.2 | 152.4 | -10.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 185 | S | 27.4 | Very low | 32.8 | Very low | 121 Ų | 121 | 122.1 Ų | 122.1 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | | | trans | -162.8 | 140.2 | 169.2 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 186 | V | 36.9 | Very low | 33.1 | Very low | 130 Ų | 130 | 122.4 Ų | 122.4 | 79% | 0.788 | 73% | 0.734 | S | S | * | * | | | trans | -154 | 161.4 | 173.1 | -128 | 0 | 0 | 0 | 0 | 104.6 | | |
| 187 | D | 32.9 | Very low | 33 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 57% | 0.572 | 74% | 0.736 | S | S | * | * | | | cis | -133.8 | -168.1 | 20.3 | -68.5 | -70.2 | 0 | 0 | 0 | 109.9 | | |
| 188 | E | 32.1 | Very low | 32.7 | Very low | 113 Ų | 113 | 127 Ų | 127 | 53% | 0.528 | 74% | 0.743 | S | S | . | * | | | cis | -153.5 | -164.8 | 12.5 | -148.5 | 156.5 | -161.6 | 0 | 0 | 112.2 | L341 | E188-L341 HydrophobicContact CG-CD1 3.6Å; E188-L341 WeakPolarHBondContact OE1-CA 3.35Å; E188-L341 WeakPolarHBondContact OE1-CB 3.25Å; E188-L341 WeakPolarHBondContact OE1-CD1 3.28Å; E188-L341 PolarHBondContact OE1-N 2.89Å |
| 189 | T | 34.6 | Very low | 33.4 | Very low | 61 Ų | 61 | 123.4 Ų | 123.4 | 37% | 0.374 | 74% | 0.739 | S | S | . | * | | | trans | -80.2 | 145.6 | -161.1 | 40 | 0 | 0 | 0 | 0 | 117.8 | L341 | T189-L341 HydrophobicContact CG2-CD1 3.62Š|
| 190 | L | 34.8 | Very low | 33.5 | Very low | 116 Ų | 116 | 120 Ų | 120 | 61% | 0.607 | 74% | 0.741 | S | S | * | * | | | | 62.5 | 152.1 | 87 | -50.9 | 176.1 | 0 | 0 | 0 | 115.6 | | |
| 191 | F | 32.8 | Very low | 33.5 | Very low | 164 Ų | 164 | 116.6 Ų | 116.6 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | | | cis | -155.9 | 176.3 | -0.8 | -129.2 | -39.9 | 0 | 0 | 0 | 110.9 | | |
| 192 | A | 28.5 | Very low | 33.4 | Very low | 81 Ų | 81 | 124.1 Ų | 124.1 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | | | trans | -157.7 | 119 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 193 | L | 34 | Very low | 33.4 | Very low | 168 Ų | 168 | 123.9 Ų | 123.9 | 88% | 0.88 | 74% | 0.743 | S | S | * | * | | | trans | 60.8 | 174.7 | 156.2 | -56.8 | 179 | 0 | 0 | 0 | 118.1 | | |
| 194 | P | 47.9 | Very low | 33.2 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | | | cis | -133 | 179.4 | -18.1 | 25.5 | -2.3 | 0 | 0 | 0 | 116.3 | | |
| 195 | A | 29.7 | Very low | 33.1 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | | | trans | 98.7 | 141.9 | 139.7 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 196 | A | 31 | Very low | 33.4 | Very low | 97 Ų | 97 | 125.3 Ų | 125.3 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | | | trans | 71 | 154.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 197 | S | 29.1 | Very low | 33.1 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 85% | 0.846 | 71% | 0.71 | S | S | * | * | | | cis | -150.9 | 178.5 | 9.8 | -47.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 198 | E | 34.7 | Very low | 33.1 | Very low | 185 Ų | 185 | 123.2 Ų | 123.2 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | | | trans | -73.9 | 179.1 | 163.5 | -108 | -175.2 | 136.5 | 0 | 0 | 113.6 | | |
| 199 | P | 43.2 | Very low | 33.1 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | | | cis | -130.8 | -132.3 | -10.8 | 37.8 | -15.9 | 0 | 0 | 0 | 113.1 | | |
| 200 | V | 34 | Very low | 33 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | | | trans | -118.2 | 155.9 | -161.9 | -160.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 201 | I | 31.3 | Very low | 32.8 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | | | trans | 96.3 | 101.3 | 162.2 | -48.8 | -177.3 | 0 | 0 | 0 | 118.9 | | |
| 202 | R | 28.8 | Very low | 32.6 | Very low | 227 Ų | 227 | 129.1 Ų | 129.1 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | | | trans | 62.6 | 106.6 | 144.4 | -66.3 | -178.5 | -179.4 | -164.6 | 0.7 | 123.6 | | |
| 203 | S | 28.1 | Very low | 32.6 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | | | | 58.9 | 102.3 | 111.3 | -58.9 | 0 | 0 | 0 | 0 | 122.5 | | |
| 204 | S | 30.6 | Very low | 32.3 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | | | | 132.1 | 131.8 | 103.3 | -74.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 205 | A | 33.5 | Very low | 31.8 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 79% | 0.793 | 74% | 0.737 | S | S | * | * | | | trans | 63.9 | 142.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 206 | E | 32.1 | Very low | 31.7 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 63% | 0.631 | 73% | 0.732 | S | S | * | * | | | cis | -161 | 168.5 | -9.3 | -171.3 | 57 | -96.9 | 0 | 0 | 108.7 | | |
| 207 | N | 31.7 | Very low | 31.4 | Very low | 65 Ų | 65 | 132.7 Ų | 132.7 | 35% | 0.348 | 73% | 0.732 | S | S | . | * | | | trans | 69.1 | 88.6 | 154.7 | -120.8 | -3 | 0 | 0 | 0 | 122.5 | D81 F82 | D81-N207 PolarHBondContact OD2-ND2 3.46Å; F82-N207 VanDerWaalsContact CZ-ND2 3.32Å; F82-N207 WeakPolarHBondContact CZ-ND2 3.32Å |
| 208 | I | 32.3 | Very low | 31.3 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | | | | 42.1 | 109.1 | 113.1 | -55.7 | 175.5 | 0 | 0 | 0 | 119.6 | | |
| 209 | M | 33.2 | Very low | 31 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | | | trans | 64.8 | 146.8 | 140 | -62.4 | 175.6 | -178.4 | 0 | 0 | 120.1 | | |
| 210 | D | 30.7 | Very low | 30.2 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 68% | 0.679 | 72% | 0.721 | S | S | * | * | | | cis | -155.7 | 171.5 | 7.7 | -141.5 | -20 | 0 | 0 | 0 | 115 | | |
| 211 | L | 31.2 | Very low | 29.9 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 67% | 0.665 | 72% | 0.719 | S | S | * | * | | | trans | 72.7 | 102.7 | 150.1 | -70.5 | 165.2 | 0 | 0 | 0 | 121.2 | | |
| 212 | K | 29.2 | Very low | 29.8 | Very low | 158 Ų | 158 | 125.2 Ų | 125.2 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | | | | 74.9 | 133.4 | 103.7 | -162.4 | 158.6 | -167.1 | 168.7 | 0 | 118.2 | | |
| 213 | E | 28.8 | Very low | 29.6 | Very low | 135 Ų | 135 | 122.3 Ų | 122.3 | 63% | 0.631 | 72% | 0.717 | S | S | * | * | | | cis | -159.4 | 138.3 | 5.6 | -144.7 | 161.5 | -160.5 | 0 | 0 | 111 | | |
| 214 | Q | 28.1 | Very low | 29.6 | Very low | 171 Ų | 171 | 124.2 Ų | 124.2 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | | | trans | 53.1 | 179.2 | 146.8 | -86.9 | -167.3 | 33.6 | 0 | 0 | 120.3 | | |
| 215 | P | 37 | Very low | 29.5 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | | | cis | -121.8 | -170.6 | -32.7 | 29.8 | -11.6 | 0 | 0 | 0 | 111.2 | | |
| 216 | G | 26.4 | Very low | 29.3 | Very low | 68 Ų | 68 | 131.7 Ų | 131.7 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | | | trans | 121.5 | 67 | 138.8 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 217 | N | 24.4 | Very low | 29.7 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | | | | 37.8 | 142.1 | 114.8 | -113.4 | 14.4 | 0 | 0 | 0 | 121.1 | | |
| 218 | T | 28.1 | Very low | 29.5 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | | | trans | 73.7 | 153.1 | 142 | 63.6 | 0 | 0 | 0 | 0 | 118.9 | | |
| 219 | I | 27.3 | Very low | 29.2 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 77% | 0.774 | 75% | 0.75 | S | S | * | * | | | cis | -164.3 | 151 | -13.9 | -111 | 166.6 | 0 | 0 | 0 | 107.5 | | |
| 220 | S | 26.3 | Very low | 28.8 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | | 176.9 | 148.8 | 118.8 | -157.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 221 | A | 29.6 | Very low | 28.6 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | | | trans | -111.1 | -178 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 222 | G | 27.8 | Very low | 28.3 | Very low | 73 Ų | 73 | 133.5 Ų | 133.5 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | | | trans | 107.3 | 150.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 223 | Q | 24.3 | Very low | 28.1 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | cis | -156.1 | 171.3 | -13.1 | -172.6 | 158.2 | -26.9 | 0 | 0 | 109.2 | | |
| 224 | E | 29.8 | Very low | 28 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | trans | -27.9 | 132.9 | 173.5 | -60 | 139.3 | 168 | 0 | 0 | 116.9 | | |
| 225 | D | 27 | Very low | 28 | Very low | 165 Ų | 165 | 125.9 Ų | 125.9 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | | | | -177.2 | 157 | 117 | -100.7 | -28.2 | 0 | 0 | 0 | 114.1 | | |
| 226 | F | 30.3 | Very low | 27.4 | Very low | 200 Ų | 200 | 126.4 Ų | 126.4 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | | | trans | -96 | 155.8 | 167.4 | -78.4 | -85.1 | 0 | 0 | 0 | 108.9 | | |
| 227 | P | 39.9 | Very low | 27.5 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | | -161.2 | -172.3 | 55.2 | 45.1 | -22.4 | 0 | 0 | 0 | 119.2 | | |
| 228 | S | 27.6 | Very low | 28.1 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | 69.4 | 98.6 | 144.8 | -64.1 | 0 | 0 | 0 | 0 | 124.3 | | |
| 229 | V | 26.1 | Very low | 27.9 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | | | | 67.4 | 128.9 | 104.5 | 172.1 | 0 | 0 | 0 | 0 | 122.5 | | |
| 230 | L | 25.3 | Very low | 27.8 | Very low | 149 Ų | 149 | 129 Ų | 129 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | | | trans | 91.2 | 126.3 | 155.4 | -77.2 | 165.4 | 0 | 0 | 0 | 124.3 | | |
| 231 | L | 25.4 | Very low | 27.7 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | | | trans | 67.3 | 117.8 | 138.9 | -77.6 | 172.3 | 0 | 0 | 0 | 126.3 | | |
| 232 | E | 25.1 | Very low | 28.6 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | | | | 83.1 | 152.7 | 115.4 | -142.9 | 175.4 | -176.3 | 0 | 0 | 123.7 | | |
| 233 | T | 25.6 | Very low | 28.4 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | | | trans | 74.6 | 139.3 | 163.5 | -46.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 234 | A | 27.3 | Very low | 28.5 | Very low | 84 Ų | 84 | 132 Ų | 132 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | | | cis | -137.1 | 156.3 | -0.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 235 | A | 26.9 | Very low | 28.3 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | cis | 73.4 | 92.5 | 49 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 236 | S | 24.7 | Very low | 28.3 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | -170 | 147 | 145 | -83.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 237 | L | 28.3 | Very low | 28.2 | Very low | 169 Ų | 169 | 121 Ų | 121 | 89% | 0.885 | 77% | 0.765 | S | S | * | * | | | trans | -100.9 | -171.7 | 169.4 | -71.1 | 171.5 | 0 | 0 | 0 | 108.2 | | |
| 238 | P | 36.6 | Very low | 27.5 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | | | cis | -142.9 | -175 | 9 | 44.3 | -24.1 | 0 | 0 | 0 | 117.6 | | |
| 239 | S | 24.5 | Very low | 27.5 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | | | trans | 20.7 | 139.1 | 147.1 | 64.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 240 | L | 24.7 | Very low | 27.7 | Very low | 162 Ų | 162 | 128 Ų | 128 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | | | | -160.9 | 168.4 | 71.8 | -88.1 | 168.6 | 0 | 0 | 0 | 114.3 | | |
| 241 | S | 25.5 | Very low | 27.7 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | trans | -149 | -176.8 | 169.2 | -45.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 242 | P | 48.6 | Very low | 27.8 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | cis | -124.2 | -166.4 | -19.6 | 40.7 | -25.5 | 0 | 0 | 0 | 111.2 | | |
| 243 | L | 23.9 | Very low | 28 | Very low | 175 Ų | 175 | 131.4 Ų | 131.4 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | | | trans | -152.3 | 161.7 | 151.4 | -115.4 | 176.3 | 0 | 0 | 0 | 111.4 | | |
| 244 | S | 24.4 | Very low | 28 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | trans | -145.9 | 149.3 | -163.3 | 178.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 245 | A | 27 | Very low | 27.8 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | | | trans | -153.9 | 119.2 | 150.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 246 | A | 27.1 | Very low | 27.8 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | | | | 82.6 | 146.5 | 54 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 247 | S | 27.4 | Very low | 27.8 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | | | cis | -179.7 | 143.3 | -18.5 | 175.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 248 | F | 25.8 | Very low | 27.5 | Very low | 199 Ų | 199 | 129.9 Ų | 129.9 | 87% | 0.873 | 74% | 0.739 | S | S | * | * | | | trans | -177.1 | 140.6 | 156.3 | -110.7 | -86 | 0 | 0 | 0 | 108.6 | | |
| 249 | K | 27.8 | Very low | 27 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 65% | 0.652 | 74% | 0.742 | S | S | * | * | | | cis | -166.4 | 123.9 | -27.3 | -169.1 | 167.7 | -177.6 | -175.1 | 0 | 107 | | |
| 250 | E | 28.8 | Very low | 27 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 65% | 0.654 | 75% | 0.75 | S | S | * | * | | | | 39.2 | 139.3 | 102.8 | -65.4 | 176.4 | 136.1 | 0 | 0 | 116.2 | | |
| 251 | H | 27.1 | Very low | 27.6 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | | | cis | -135.2 | -169.1 | 6.4 | -83.9 | -52.9 | 0 | 0 | 0 | 109.3 | | |
| 252 | E | 26.9 | Very low | 28.2 | Very low | 178 Ų | 178 | 132.2 Ų | 132.2 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | | | cis | -162.4 | 125.7 | 30.8 | -159.4 | 164.6 | -144.9 | 0 | 0 | 108.8 | | |
| 253 | Y | 28.3 | Very low | 27.1 | Very low | 195 Ų | 195 | 132.3 Ų | 132.3 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | | | | 65.7 | 134 | 83.2 | -113.8 | -104.2 | 0 | 0 | 0 | 115.8 | | |
| 254 | L | 25.5 | Very low | 27.4 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 61% | 0.613 | 74% | 0.741 | S | S | * | * | | | cis | -169 | 146.8 | -29.5 | -144.5 | 163.8 | 0 | 0 | 0 | 109.8 | N256 | L254-N256 WeakPolarHBondContact CD2-OD1 3.49Š|
| 255 | G | 23.9 | Very low | 27.5 | Very low | 64 Ų | 64 | 130.2 Ų | 130.2 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | | | trans | 155.6 | 87.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 256 | N | 26.4 | Very low | 27.9 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | | | | 58.9 | 123.5 | 85.1 | -62.4 | -14.5 | 0 | 0 | 0 | 112.6 | L254 | L254-N256 WeakPolarHBondContact CD2-OD1 3.49Š|
| 257 | L | 25.6 | Very low | 28.2 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 82% | 0.817 | 74% | 0.735 | S | S | * | * | | | cis | -133.3 | 154.5 | 24.8 | -69.4 | 165.2 | 0 | 0 | 0 | 110.5 | | |
| 258 | S | 22.6 | Very low | 27.9 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | | | | 61.3 | 131.3 | 60 | -141.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 259 | T | 25.9 | Very low | 28 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 76% | 0.761 | 71% | 0.706 | S | S | * | * | | | cis | -154.4 | 178.5 | 3.5 | -12.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 260 | V | 24.5 | Very low | 27.9 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 81% | 0.806 | 69% | 0.688 | S | S | * | * | | | | -180 | 145.5 | 76.8 | 162 | 0 | 0 | 0 | 0 | 109 | | |
| 261 | L | 37 | Very low | 27.9 | Very low | 153 Ų | 153 | 120.4 Ų | 120.4 | 80% | 0.801 | 67% | 0.667 | S | S | * | * | | | trans | -94.8 | 156.7 | 169.6 | -95.7 | 165.2 | 0 | 0 | 0 | 110.2 | | |
| 262 | P | 37.8 | Very low | 27.8 | Very low | 108 Ų | 108 | 117.7 Ų | 117.7 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | | | | -151.2 | -170.3 | 67.1 | 40.9 | -17.7 | 0 | 0 | 0 | 113.8 | | |
| 263 | T | 25.6 | Very low | 27.9 | Very low | 121 Ų | 121 | 114 Ų | 114 | 74% | 0.742 | 64% | 0.641 | S | S | * | * | | | cis | -146.8 | 149 | 12.3 | -30.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 264 | E | 29.1 | Very low | 27.6 | Very low | 184 Ų | 184 | 109.6 Ų | 109.6 | 86% | 0.86 | 65% | 0.645 | S | S | * | * | | | trans | -45.9 | 159.7 | 149 | -169.7 | 171.8 | -165.9 | 0 | 0 | 111.7 | | |
| 265 | G | 26.7 | Very low | 27.7 | Very low | 55 Ų | 55 | 109.5 Ų | 109.5 | 57% | 0.567 | 65% | 0.654 | S | S | * | * | | | cis | 147.8 | 105 | 5.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 266 | T | 36.1 | Very low | 27.8 | Very low | 137 Ų | 137 | 116.8 Ų | 116.8 | 84% | 0.84 | 67% | 0.667 | S | S | * | * | | | trans | 44.5 | 111.8 | 134.5 | -52.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 267 | L | 33 | Very low | 27.8 | Very low | 141 Ų | 141 | 117.2 Ų | 117.2 | 74% | 0.738 | 67% | 0.665 | S | S | * | * | | | | -162.6 | 156.2 | 98.7 | -127 | 175.3 | 0 | 0 | 0 | 113 | | |
| 268 | Q | 22.4 | Very low | 27.7 | Very low | 89 Ų | 89 | 118.3 Ų | 118.3 | 42% | 0.416 | 66% | 0.663 | S | S | . | * | | | trans | 75.4 | 130.4 | 149.8 | -121.3 | 167.3 | 31.2 | 0 | 0 | 113.5 | I1182 | Q268-I1182 HydrophobicContact CB-CD1 3.26Å; Q268-I1182 HydrophobicContact CB-CG1 3.63Å; Q268-I1182 HydrophobicContact CG-CD1 3.36Å; Q268-I1182 HydrophobicContact CG-CG1 4.26Å; Q268-I1182 WeakPolarHBondContact O-CG2 3.15Å |
| 269 | E | 26.7 | Very low | 28 | Very low | 120 Ų | 120 | 118.4 Ų | 118.4 | 56% | 0.561 | 66% | 0.664 | S | S | * | * | | | cis | 112.6 | 139.8 | 24.6 | -167 | -153.1 | 140.3 | 0 | 0 | 113.9 | I1182 | E269-I1182 HydrophobicContact CB-CD1 4.17Å; E269-I1182 WeakPolarHBondContact O-CB 3.44Å; E269-I1182 WeakPolarHBondContact O-CD1 3.42Å; E269-I1182 WeakPolarHBondContact O-CG2 3.2Å |
| 270 | T | 25.5 | Very low | 28.2 | Very low | 42 Ų | 42 | 120.2 Ų | 120.2 | 26% | 0.258 | 66% | 0.664 | S | S | . | * | | | trans | 77.2 | 159 | 167.2 | 85.3 | 0 | 0 | 0 | 0 | 120.6 | M1179 | T270-M1179 HydrophobicContact CG2-CB 4.28Å; T270-M1179 WeakPolarHBondContact OG1-CA 3.24Å; T270-M1179 WeakPolarHBondContact OG1-CB 3.34Å; T270-M1179 WeakPolarHBondContact OG1-CG 3.19Å |
| 271 | V | 30.3 | Very low | 28.5 | Very low | 38 Ų | 38 | 122.7 Ų | 122.7 | 23% | 0.23 | 66% | 0.663 | C | S | . | * | | | cis | -163.4 | 167.5 | -22.8 | 133.7 | 0 | 0 | 0 | 0 | 110.4 | E273 M1179 Q1183 | V271-E273 WeakPolarHBondContact CG1-OE1 3.49Å; V271-E273 VanDerWaalsContact CG2-OE1 3.24Å; V271-E273 WeakPolarHBondContact CG2-OE1 3.42Å; V271-M1179 HydrophobicContact CB-CE 3.82Å; V271-M1179 HydrophobicContact CB-SD 4.05Å; V271-M1179 HydrophobicContact CG1-CE 3.34Å; V271-M1179 HydrophobicContact CG1-SD 3.98Å; V271-Q1183 PolarHBondContact O-NE2 2.99Å |
| 272 | N | 24.6 | Very low | 28.1 | Very low | 85 Ų | 85 | 117.2 Ų | 117.2 | 46% | 0.455 | 64% | 0.641 | S | S | . | * | | | trans | 115.1 | 109.6 | 159.2 | -68 | -72.7 | 0 | 0 | 0 | 115.5 | M1179 R1191 | N272-M1179 WeakPolarHBondContact ND2-CE 3.48Å; N272-R1191 VanDerWaalsContact O-CB 3.3Å; N272-R1191 WeakPolarHBondContact O-CB 3.18Å; N272-R1191 WeakPolarHBondContact O-CD 3.34Å; N272-R1191 VanDerWaalsContact O-CG 3.23Å; N272-R1191 WeakPolarHBondContact O-CG 3.32Å; N272-R1191 PolarHBondContact O-NE 3.33Å |
| 273 | E | 28.7 | Very low | 27.8 | Very low | 102 Ų | 102 | 117.2 Ų | 117.2 | 48% | 0.477 | 63% | 0.631 | S | S | . | * | | | | -133.7 | -112.5 | -64.5 | -149.5 | 75.9 | 93.6 | 0 | 0 | 114 | V271 R1191 | V271-E273 WeakPolarHBondContact CG1-OE1 3.49Å; V271-E273 VanDerWaalsContact CG2-OE1 3.24Å; V271-E273 WeakPolarHBondContact CG2-OE1 3.42Å; E273-R1191 VanDerWaalsContact CA-NH1 3.27Å; E273-R1191 WeakPolarHBondContact O-CD 3.31Å; E273-R1191 PolarHBondContact O-NH1 3.36Å; E273-R1191 IonicContact OE2-CZ 3.64Å; E273-R1191 VanDerWaalsContact OE2-CZ 3.28Å; E273-R1191 IonicContact OE2-NH1 2.63Å; E273-R1191 PolarHBondContact OE2-NH1 2.94Å; E273-R1191 IonicContact OE2-NH2 3.57Å; E273-R1191 PolarHBondContact OE2-NH2 3.46Å; E273-R1191 VanDerWaalsContact OE2-NH2 3.07Å |
| 274 | A | 22.2 | Very low | 28.2 | Very low | 102 Ų | 102 | 113 Ų | 113 | 84% | 0.843 | 61% | 0.605 | S | S | * | * | | | trans | 65.4 | 60.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 275 | S | 28 | Very low | 29.1 | Very low | 115 Ų | 115 | 105.7 Ų | 105.7 | 80% | 0.804 | 57% | 0.574 | S | S | * | * | | | trans | -118.9 | 114.6 | 151.8 | 54.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 276 | K | 25.7 | Very low | 29.3 | Very low | 216 Ų | 216 | 104.2 Ų | 104.2 | 94% | 0.939 | 55% | 0.553 | S | S | * | * | | | trans | -103.1 | 106.5 | -172.2 | -169.1 | 177.2 | -177.7 | -179.1 | 0 | 110.9 | | |
| 277 | E | 26.2 | Very low | 29.4 | Very low | 146 Ų | 146 | 101.6 Ų | 101.6 | 68% | 0.682 | 54% | 0.537 | S | S | * | . | | | trans | -73.8 | 134.8 | -178.2 | -161.3 | 179.1 | 178.6 | 0 | 0 | 112.1 | | |
| 278 | F | 23.9 | Very low | 29.4 | Very low | 179 Ų | 179 | 101.8 Ų | 101.8 | 79% | 0.785 | 54% | 0.538 | S | S | * | . | | | | 164.6 | 104.4 | 114.3 | -90 | -66.9 | 0 | 0 | 0 | 108.7 | | |
| 279 | S | 27.6 | Very low | 29.8 | Very low | 96 Ų | 96 | 106.8 Ų | 106.8 | 67% | 0.671 | 55% | 0.554 | S | S | * | * | | | trans | -100.3 | 168 | 179.4 | -145.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 280 | E | 30.5 | Very low | 29.8 | Very low | 163 Ų | 163 | 105.8 Ų | 105.8 | 76% | 0.762 | 55% | 0.552 | S | S | * | * | | | trans | 13.8 | 127.4 | 159.6 | -69.6 | 149.3 | 125.6 | 0 | 0 | 120.4 | | |
| 281 | K | 30.6 | Very low | 30 | Very low | 184 Ų | 184 | 110.3 Ų | 110.3 | 80% | 0.8 | 57% | 0.574 | S | S | * | * | | | cis | 88.2 | 99.8 | 44.4 | -176.9 | -167.1 | 171.1 | -164.3 | 0 | 113.9 | | |
| 282 | A | 29 | Very low | 29.9 | Very low | 39 Ų | 39 | 112.7 Ų | 112.7 | 32% | 0.322 | 59% | 0.589 | S | S | . | * | | | trans | 95.3 | 109.4 | 135.6 | 0 | 0 | 0 | 0 | 0 | 122.6 | H1100 C1103 | A282-H1100 PolarHBondContact N-NE2 2.99Å; A282-C1103 PolarHBondContact O-SG 2.87Å |
| 283 | E | 30.7 | Very low | 30.1 | Very low | 107 Ų | 107 | 116 Ų | 116 | 50% | 0.5 | 60% | 0.601 | S | S | . | * | | | | 94.4 | 160.1 | 118.3 | -58.8 | -108 | 93.9 | 0 | 0 | 122.9 | G1099 H1100 V1101 N1102 C1103 | E283-G1099 WeakPolarHBondContact CA-O 3.36Å; E283-G1099 PolarHBondContact N-O 3.32Å; E283-H1100 PolarHBondContact N-CD2 2.88Å; E283-H1100 CarbonylContact O-C 3.09Å; E283-H1100 WeakPolarHBondContact O-CA 3.34Å; E283-V1101 PolarHBondContact O-N 3.45Å; E283-V1101 VanDerWaalsContact O-N 3.16Å; E283-N1102 PolarHBondContact O-N 2.92Å; E283-C1103 PolarHBondContact O-N 2.93Å |
| 284 | T | 33.8 | Very low | 30.1 | Very low | 32 Ų | 32 | 119.4 Ų | 119.4 | 20% | 0.196 | 62% | 0.615 | C | S | . | * | | | trans | -121.1 | -176.5 | -140.3 | -0.3 | 0 | 0 | 0 | 0 | 118 | L1098 G1099 V1101 N1102 | T284-L1098 VanDerWaalsContact CB-O 3.27Å; T284-L1098 WeakPolarHBondContact CB-O 3.42Å; T284-L1098 VanDerWaalsContact CG2-CA 3.4Å; T284-L1098 HydrophobicContact CG2-CB 4.25Å; T284-L1098 HydrophobicContact CG2-CG 4.18Å; T284-L1098 VanDerWaalsContact CG2-O 3.26Å; T284-L1098 WeakPolarHBondContact CG2-O 2.83Å; T284-L1098 PolarHBondContact OG1-O 3.08Å; T284-G1099 VanDerWaalsContact OG1-C 3.28Å; T284-G1099 WeakPolarHBondContact OG1-CA 3.06Å; T284-G1099 PolarHBondContact OG1-N 3.44Å; T284-G1099 VanDerWaalsContact OG1-N 3.15Å; T284-V1101 VanDerWaalsContact CA-N 3.29Å; T284-V1101 HydrophobicContact CG2-CB 3.7Å; T284-V1101 HydrophobicContact CG2-CG2 3.8Å; T284-N1102 WeakPolarHBondContact O-CB 3.29Å |
| 285 | P | 49.8 | Very low | 30.4 | Very low | 32 Ų | 32 | 119.7 Ų | 119.7 | 21% | 0.208 | 61% | 0.61 | C | S | . | * | | | cis | -130.7 | -148.6 | -6.9 | 31.8 | -4.5 | 0 | 0 | 0 | 118.1 | L1098 V1101 N1102 | P285-L1098 HydrophobicContact CB-CD1 4.49Å; P285-L1098 HydrophobicContact CB-CD2 3.89Å; P285-L1098 HydrophobicContact CB-CG 3.72Å; P285-V1101 CarbonylContact C-O 3.31Å; P285-V1101 CarbonylContact O-C 3.59Å; P285-V1101 VanDerWaalsContact O-C 3.25Å; P285-N1102 VanDerWaalsContact N-CB 3.25Å; P285-N1102 WeakPolarHBondContact O-CB 3.47Å; P285-N1102 PolarHBondContact O-N 3.33Å; P285-N1102 PolarHBondContact O-ND2 2.8Å; P285-N1102 PolarHBondContact O-OD1 2.94Å |
| 286 | L | 29.8 | Very low | 30.2 | Very low | 23 Ų | 23 | 122.9 Ų | 122.9 | 12% | 0.12 | 61% | 0.613 | C | S | . | * | | | trans | 37.6 | 156.5 | 148.6 | -37.2 | 165.2 | 0 | 0 | 0 | 126.5 | I1085 L1098 N1102 I1105 | L286-I1085 HydrophobicContact CB-CD1 4.35Å; L286-I1085 HydrophobicContact CD1-CB 3.4Å; L286-I1085 HydrophobicContact CD1-CD1 4.36Å; L286-I1085 HydrophobicContact CD1-CG1 3.92Å; L286-I1085 HydrophobicContact CD2-CB 3.96Å; L286-I1085 HydrophobicContact CD2-CD1 3.96Å; L286-I1085 HydrophobicContact CD2-CG1 4.36Å; L286-I1085 HydrophobicContact CG-CB 4.17Å; L286-I1085 HydrophobicContact CG-CD1 4.38Å; L286-I1085 HydrophobicContact CG-CG1 4.47Å; L286-L1098 HydrophobicContact CD2-CD2 4.35Å; L286-N1102 PolarHBondContact O-ND2 3.04Å; L286-N1102 PolarHBondContact O-OD1 3.09Å; L286-I1105 VanDerWaalsContact C-CD1 3.41Å; L286-I1105 VanDerWaalsContact O-CB 3.28Å; L286-I1105 WeakPolarHBondContact O-CB 3.21Å; L286-I1105 WeakPolarHBondContact O-CG2 3.16Å |
| 287 | V | 38.9 | Very low | 30.2 | Very low | 83 Ų | 83 | 120.4 Ų | 120.4 | 50% | 0.503 | 61% | 0.609 | S | S | . | * | | | cis | 172.2 | 164.1 | -37.4 | 137.7 | 0 | 0 | 0 | 0 | 111.6 | I1085 I1105 | V287-I1085 HydrophobicContact CB-CD1 4.14Å; V287-I1085 HydrophobicContact CG1-CD1 3.64Å; V287-I1105 HydrophobicContact CG2-CD1 4.19Å |
| 288 | D | 33 | Very low | 30.1 | Very low | 145 Ų | 145 | 121.9 Ų | 121.9 | 78% | 0.775 | 62% | 0.616 | S | S | * | * | | | trans | 81.5 | 136.5 | 155.3 | -85 | -21.5 | 0 | 0 | 0 | 126.6 | | |
| 289 | R | 29.5 | Very low | 30.3 | Very low | 194 Ų | 194 | 122.9 Ų | 122.9 | 73% | 0.732 | 62% | 0.616 | S | S | * | * | | | trans | 169.6 | 150.5 | 141.7 | -92.9 | -169.9 | 91 | 107.6 | 17.9 | 108.4 | | |
| 290 | D | 27.3 | Very low | 30.3 | Very low | 99 Ų | 99 | 124 Ų | 124 | 53% | 0.529 | 62% | 0.624 | S | S | . | * | | | cis | -136.4 | 157.3 | 3.7 | -95 | -57.7 | 0 | 0 | 0 | 108.2 | | |
| 291 | L | 30.4 | Very low | 30.2 | Very low | 136 Ų | 136 | 124.2 Ų | 124.2 | 71% | 0.712 | 63% | 0.625 | S | S | * | * | | | | 63.9 | 149.4 | 63.7 | -68.1 | 178.2 | 0 | 0 | 0 | 116.1 | | |
| 292 | T | 28.4 | Very low | 29.9 | Very low | 89 Ų | 89 | 122.9 Ų | 122.9 | 55% | 0.546 | 62% | 0.623 | S | S | . | * | | | cis | -111 | -112.7 | 9.1 | -28.7 | 0 | 0 | 0 | 0 | 114.5 | F294 | T292-F294 HydrophobicContact CG2-CD2 4.41Å; T292-F294 HydrophobicContact CG2-CE2 3.9Å |
| 293 | E | 28.7 | Very low | 30 | Very low | 154 Ų | 154 | 124.7 Ų | 124.7 | 72% | 0.72 | 65% | 0.646 | S | S | * | * | | | cis | -158.2 | 174.6 | 0.5 | -155.4 | 57.4 | -91.1 | 0 | 0 | 111.2 | | |
| 294 | F | 28.8 | Very low | 29.9 | Very low | 174 Ų | 174 | 122.2 Ų | 122.2 | 76% | 0.763 | 64% | 0.64 | S | S | * | * | | | trans | -115.7 | 150.8 | -158.6 | -65.6 | -86.4 | 0 | 0 | 0 | 119 | T292 | T292-F294 HydrophobicContact CG2-CD2 4.41Å; T292-F294 HydrophobicContact CG2-CE2 3.9Å |
| 295 | S | 27.3 | Very low | 29.6 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 75% | 0.748 | 67% | 0.667 | S | S | * | * | | | | 179.4 | 149.2 | 129.3 | -103.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 296 | E | 25.1 | Very low | 28.4 | Very low | 182 Ų | 182 | 133.7 Ų | 133.7 | 85% | 0.85 | 70% | 0.698 | S | S | * | * | | | cis | -155.2 | 171.2 | 3.3 | -143.3 | 163.2 | -174.2 | 0 | 0 | 109.4 | | |
| 297 | L | 25.3 | Very low | 28.2 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 86% | 0.859 | 72% | 0.722 | S | S | * | * | | | trans | -102.1 | 144.1 | 170.7 | -79.6 | 79.4 | 0 | 0 | 0 | 110.6 | | |
| 298 | E | 24.7 | Very low | 27.5 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | | | | -162.6 | 128 | 123 | -122.7 | 177.9 | 176.6 | 0 | 0 | 116.2 | | |
| 299 | Y | 26.5 | Very low | 27.2 | Very low | 199 Ų | 199 | 137.3 Ų | 137.3 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | | | trans | 45.9 | 150.8 | 142.9 | -88.6 | -114.5 | 0 | 0 | 0 | 125.1 | | |
| 300 | S | 29.1 | Very low | 27.9 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | | | trans | -147.7 | 123.3 | 157.1 | -161.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 301 | E | 27.3 | Very low | 27.9 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | trans | -141.7 | 104.6 | 175.1 | -168.1 | 170.1 | 178.7 | 0 | 0 | 108.1 | | |
| 302 | M | 24.1 | Very low | 27.9 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 77% | 0.768 | 74% | 0.744 | S | S | * | * | | | | 80.3 | 129.5 | 86.6 | -147.7 | 71.7 | 155.5 | 0 | 0 | 113.6 | | |
| 303 | G | 32.2 | Very low | 27.9 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | 166.1 | 107.5 | 174 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 304 | S | 27.1 | Very low | 27.8 | Very low | 54 Ų | 54 | 135.2 Ų | 135.2 | 38% | 0.378 | 75% | 0.754 | S | S | . | * | | | trans | -149.8 | 124.5 | 171.2 | -177.8 | 0 | 0 | 0 | 0 | 112.9 | S879 | S304-S879 PolarHBondContact OG-OG 3.31Š|
| 305 | S | 27.8 | Very low | 27.7 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | trans | -162.3 | 127.8 | 169.2 | 53.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 306 | F | 26 | Very low | 27.6 | Very low | 199 Ų | 199 | 132.7 Ų | 132.7 | 87% | 0.873 | 75% | 0.751 | S | S | * | * | | | | 54 | 133 | 91 | -92.7 | -115.9 | 0 | 0 | 0 | 114.4 | | |
| 307 | S | 24.8 | Very low | 27.5 | Very low | 88 Ų | 88 | 130.6 Ų | 130.6 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | | | cis | -174.7 | -172.9 | -2.2 | 48.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 308 | V | 24.8 | Very low | 27.4 | Very low | 137 Ų | 137 | 129 Ų | 129 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | | | trans | 86.1 | 151.3 | 165.2 | -171.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 309 | S | 26.7 | Very low | 27.3 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | | | trans | -109.6 | -169.1 | -168.1 | 60.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 310 | P | 44.3 | Very low | 27.3 | Very low | 110 Ų | 110 | 122.5 Ų | 122.5 | 71% | 0.714 | 74% | 0.737 | S | S | * | * | | | cis | -147.9 | 160.9 | 13.6 | 44.5 | -24.1 | 0 | 0 | 0 | 120.3 | | |
| 311 | K | 27 | Very low | 27.8 | Very low | 168 Ų | 168 | 121.4 Ų | 121.4 | 73% | 0.73 | 73% | 0.727 | S | S | * | * | | | trans | 50 | 111 | 130 | -170.3 | -175.8 | 177.1 | 176.9 | 0 | 122.1 | E313 | K311-E313 WeakPolarHBondContact CE-OE2 3.39Å; K311-E313 IonicContact NZ-OE2 2.65Å |
| 312 | A | 29.7 | Very low | 27.6 | Very low | 90 Ų | 90 | 122.7 Ų | 122.7 | 74% | 0.744 | 73% | 0.725 | S | S | * | * | | | | -169.9 | 125 | 123.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 313 | E | 29 | Very low | 27.6 | Very low | 150 Ų | 150 | 121.5 Ų | 121.5 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | | | | 64.4 | 123.2 | 59.1 | -64.7 | -178.7 | 136.9 | 0 | 0 | 113.9 | K311 | K311-E313 WeakPolarHBondContact CE-OE2 3.39Å; K311-E313 IonicContact NZ-OE2 2.65Å |
| 314 | S | 27.3 | Very low | 27.1 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | | | cis | -171.5 | 167 | -9 | 54.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 315 | A | 26.3 | Very low | 26.8 | Very low | 86 Ų | 86 | 129.4 Ų | 129.4 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | | | trans | 75.1 | 161.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 316 | I | 23.6 | Very low | 26.7 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | | | cis | -164.4 | 147 | -6.8 | -134.3 | 170.5 | 0 | 0 | 0 | 113.3 | | |
| 317 | I | 24.1 | Very low | 26.6 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 71% | 0.708 | 72% | 0.722 | S | S | * | * | | | trans | 61.7 | 119.9 | 142.8 | -80.3 | 167.7 | 0 | 0 | 0 | 124 | | |
| 318 | V | 23 | Very low | 26.7 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | | | | 73.5 | 139.9 | 128.7 | 173.8 | 0 | 0 | 0 | 0 | 124.3 | | |
| 319 | A | 23.6 | Very low | 26.9 | Very low | 85 Ų | 85 | 131.1 Ų | 131.1 | 70% | 0.702 | 72% | 0.722 | S | S | * | * | | | trans | 76.9 | 121.9 | 152.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 320 | N | 25.8 | Very low | 27 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | | | trans | -64.6 | 134.9 | 148.2 | -175.6 | 17.1 | 0 | 0 | 0 | 109.5 | | |
| 321 | P | 39.5 | Very low | 26.1 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 64% | 0.643 | 72% | 0.717 | S | S | * | * | | | | -149.9 | 169.2 | 102.3 | 40.8 | -25.3 | 0 | 0 | 0 | 116.1 | | |
| 322 | R | 23.8 | Very low | 26.3 | Very low | 193 Ų | 193 | 133.5 Ų | 133.5 | 73% | 0.728 | 71% | 0.713 | S | S | * | * | | | trans | 78.3 | 127 | 149.1 | -85.7 | -175.4 | 179.4 | -113.6 | -4.3 | 121.3 | | |
| 323 | E | 23.3 | Very low | 26.1 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 61% | 0.607 | 71% | 0.711 | S | S | * | * | | | | 50.2 | 113.6 | 121.3 | -62.1 | 164.7 | -179.2 | 0 | 0 | 121.1 | | |
| 324 | E | 21.9 | Very low | 25.9 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | | | | 52.8 | 122.1 | 114.2 | -84.5 | -165 | 130.9 | 0 | 0 | 123.2 | | |
| 325 | I | 21.7 | Very low | 26 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 68% | 0.682 | 71% | 0.707 | S | S | * | * | | | trans | 82.3 | 149.6 | 139.3 | -53.2 | 159.6 | 0 | 0 | 0 | 118.6 | V327 | I325-V327 HydrophobicContact CG2-CG2 4.38Š|
| 326 | I | 24.5 | Very low | 25.9 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 77% | 0.774 | 71% | 0.705 | S | S | * | * | | | trans | 100.9 | 76.9 | 172 | -50.8 | -174.5 | 0 | 0 | 0 | 113 | | |
| 327 | V | 25 | Very low | 26.5 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 66% | 0.661 | 71% | 0.705 | S | S | * | * | | | | 68.5 | 110.3 | 67.3 | -178.1 | 0 | 0 | 0 | 0 | 113.5 | I325 | I325-V327 HydrophobicContact CG2-CG2 4.38Š|
| 328 | K | 26.2 | Very low | 26.5 | Very low | 181 Ų | 181 | 136 Ų | 136 | 79% | 0.787 | 71% | 0.707 | S | S | * | * | | | | -169.2 | 119.9 | 115.2 | -103.9 | -177.7 | -177.7 | 173.6 | 0 | 113.9 | | |
| 329 | N | 28.8 | Very low | 26.6 | Very low | 126 Ų | 126 | 134 Ų | 134 | 67% | 0.674 | 69% | 0.693 | S | S | * | * | | | trans | 65.7 | 137.9 | 131.8 | -60.8 | 14.8 | 0 | 0 | 0 | 119.3 | | |
| 330 | K | 28.4 | Very low | 27.1 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 56% | 0.557 | 70% | 0.698 | S | S | * | * | | | cis | -152.8 | 151.1 | 0.7 | -143.6 | 176.6 | 165.9 | -69 | 0 | 111.6 | E332 | K330-E332 IonicContact NZ-OE1 2.61Å; K330-E332 PolarHBondContact NZ-OE1 3.14Å; K330-E332 IonicContact NZ-OE2 2.67Å; K330-E332 PolarHBondContact NZ-OE2 3.32Å |
| 331 | E | 26.6 | Very low | 27.1 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | | | trans | -72.8 | -173.3 | 162.6 | -46.7 | 106.4 | 125.9 | 0 | 0 | 112 | | |
| 332 | E | 31.3 | Very low | 26.4 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 66% | 0.659 | 67% | 0.667 | S | S | * | * | | | trans | 112.5 | 121.8 | 160.1 | -68.1 | 165.8 | -160.4 | 0 | 0 | 115.1 | K330 | K330-E332 IonicContact NZ-OE1 2.61Å; K330-E332 PolarHBondContact NZ-OE1 3.14Å; K330-E332 IonicContact NZ-OE2 2.67Å; K330-E332 PolarHBondContact NZ-OE2 3.32Å |
| 333 | E | 25.3 | Very low | 26.8 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 70% | 0.701 | 67% | 0.668 | S | S | * | * | | | cis | -169.4 | 175.7 | -9 | -134.4 | 176.8 | -162.4 | 0 | 0 | 112.2 | | |
| 334 | N | 23.5 | Very low | 27.2 | Very low | 109 Ų | 109 | 130 Ų | 130 | 58% | 0.583 | 66% | 0.664 | S | S | * | * | | | trans | 44.7 | 112.3 | 148.7 | -76.8 | -54.4 | 0 | 0 | 0 | 118.3 | | |
| 335 | L | 30.5 | Very low | 27.9 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 80% | 0.801 | 65% | 0.654 | S | S | * | * | | | | -166.4 | 148.1 | 66.4 | -75.9 | 159.3 | 0 | 0 | 0 | 108.4 | | |
| 336 | V | 24.6 | Very low | 29 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 67% | 0.673 | 65% | 0.653 | S | S | * | * | | | cis | 85.8 | 132.5 | 34.2 | 178 | 0 | 0 | 0 | 0 | 113.8 | | |
| 337 | S | 34.2 | Very low | 29.8 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | | | trans | 77.5 | 100.7 | -170.7 | -29.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 338 | N | 25.5 | Very low | 30.5 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 75% | 0.749 | 66% | 0.661 | S | S | * | * | | | cis | 64.9 | 126.2 | 25.3 | -112.1 | 74.9 | 0 | 0 | 0 | 113.5 | | |
| 339 | N | 25.1 | Very low | 30.7 | Very low | 92 Ų | 92 | 128 Ų | 128 | 49% | 0.492 | 66% | 0.662 | S | S | . | * | | | trans | 70.9 | 151.8 | 175.6 | -49.2 | 38.1 | 0 | 0 | 0 | 111.6 | | |
| 340 | I | 33.5 | Very low | 30.7 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 81% | 0.805 | 67% | 0.665 | S | S | * | * | | | cis | -132.5 | 115.6 | 28.5 | -64.8 | 171.2 | 0 | 0 | 0 | 112 | | |
| 341 | L | 25.7 | Very low | 30.6 | Very low | 85 Ų | 85 | 127.3 Ų | 127.3 | 45% | 0.445 | 68% | 0.676 | S | S | . | * | | | | 34 | 94.6 | 125.3 | -162.4 | 74.8 | 0 | 0 | 0 | 118.7 | E188 T189 | E188-L341 HydrophobicContact CG-CD1 3.6Å; E188-L341 WeakPolarHBondContact OE1-CA 3.35Å; E188-L341 WeakPolarHBondContact OE1-CB 3.25Å; E188-L341 WeakPolarHBondContact OE1-CD1 3.28Å; E188-L341 PolarHBondContact OE1-N 2.89Å; T189-L341 HydrophobicContact CG2-CD1 3.62Å |
| 342 | H | 26 | Very low | 30.4 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 38% | 0.375 | 67% | 0.674 | S | S | . | * | | | | 28.5 | 106.4 | 120.6 | 179.6 | -63.1 | 0 | 0 | 0 | 117.6 | | |
| 343 | N | 30.7 | Very low | 30.1 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | | | trans | -147.4 | 111.8 | 144.4 | -108.1 | -104.2 | 0 | 0 | 0 | 106.5 | | |
| 344 | Q | 33.2 | Very low | 30 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 51% | 0.514 | 69% | 0.688 | S | S | . | * | | | | 76.8 | 133.8 | 90.2 | -80.9 | -86.3 | -55.9 | 0 | 0 | 113.9 | | |
| 345 | Q | 36.5 | Very low | 30 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 57% | 0.565 | 69% | 0.691 | S | S | * | * | | | cis | 174.7 | 134.4 | -34.6 | 152.8 | 158.1 | 93.3 | 0 | 0 | 107.8 | | |
| 346 | E | 44.7 | Very low | 29.7 | Very low | 144 Ų | 144 | 127.7 Ų | 127.7 | 67% | 0.673 | 68% | 0.684 | S | S | * | * | | | cis | -145.9 | 108.4 | -35.8 | -112.9 | 102.5 | -138.9 | 0 | 0 | 104.6 | | |
| 347 | L | 41.8 | Very low | 29.8 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 83% | 0.832 | 68% | 0.68 | S | S | * | * | | | trans | -168 | 170.4 | -155.2 | -92.3 | 159.4 | 0 | 0 | 0 | 108.4 | | |
| 348 | P | 38.8 | Very low | 29.8 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | | | cis | -126.5 | -125.8 | -10.1 | 37.8 | -17.6 | 0 | 0 | 0 | 112.4 | | |
| 349 | I | 30.4 | Very low | 29.8 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 80% | 0.795 | 69% | 0.688 | S | S | * | * | | | trans | -131.4 | 136 | -157.1 | -65.6 | 166.8 | 0 | 0 | 0 | 113.4 | | |
| 350 | A | 29.3 | Very low | 30 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | | | trans | 61.3 | 157.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 351 | L | 24.9 | Very low | 29.8 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | | | cis | -163.6 | 138.9 | 31.1 | -173.5 | 114.3 | 0 | 0 | 0 | 113.1 | | |
| 352 | T | 24 | Very low | 29.7 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 71% | 0.712 | 72% | 0.718 | S | S | * | * | | | trans | 65.6 | 141 | 161.6 | 51.1 | 0 | 0 | 0 | 0 | 124.6 | | |
| 353 | K | 24.3 | Very low | 29.5 | Very low | 189 Ų | 189 | 139.9 Ų | 139.9 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | | | trans | 79.5 | 103.6 | 144.5 | -80.6 | -178.6 | 177 | -174 | 0 | 122.5 | | |
| 354 | L | 22.8 | Very low | 29.1 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | | | | 73.4 | 144.3 | 115.1 | -149.3 | 77.9 | 0 | 0 | 0 | 121.2 | | |
| 355 | V | 23.1 | Very low | 28.8 | Very low | 105 Ų | 105 | 140 Ų | 140 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | trans | 92.3 | 101.9 | 159.5 | -169.9 | 0 | 0 | 0 | 0 | 119 | | |
| 356 | K | 25.5 | Very low | 28.3 | Very low | 154 Ų | 154 | 144.1 Ų | 144.1 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | | | trans | 52.1 | 177.9 | 133.3 | -48.8 | 168.4 | 88.6 | -144.2 | 0 | 117.7 | | |
| 357 | E | 25.2 | Very low | 27.5 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 58% | 0.584 | 78% | 0.779 | S | S | * | * | | | cis | -154 | 159.1 | 6.6 | -161.5 | 111.4 | -152.1 | 0 | 0 | 110.8 | | |
| 358 | E | 35.3 | Very low | 26.7 | Very low | 191 Ų | 191 | 142.6 Ų | 142.6 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | | | trans | -126 | 85 | 161 | -76.2 | -172.1 | -162.1 | 0 | 0 | 110.3 | | |
| 359 | D | 24.8 | Very low | 25.9 | Very low | 139 Ų | 139 | 142.5 Ų | 142.5 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | | | trans | -171.6 | 148.8 | 150.2 | -109.4 | -13 | 0 | 0 | 0 | 107.7 | | |
| 360 | E | 30.4 | Very low | 25.5 | Very low | 181 Ų | 181 | 139.6 Ų | 139.6 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | | 63 | 148 | 73.7 | -158.8 | 153.9 | 179.6 | 0 | 0 | 115.3 | M362 | E360-M362 PolarHBondContact O-N 3.29Š|
| 361 | V | 29.4 | Very low | 25.3 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -92.2 | 96.7 | -150.8 | -176.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 362 | M | 22.5 | Very low | 25.3 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 69% | 0.69 | 77% | 0.765 | S | S | * | * | | | trans | 61.6 | 114.1 | 140.4 | -169.8 | 150.3 | -81.5 | 0 | 0 | 119.5 | E360 | E360-M362 PolarHBondContact O-N 3.29Š|
| 363 | S | 23 | Very low | 25.3 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | trans | 106.9 | 132.1 | 139.4 | 77.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 364 | L | 22.1 | Very low | 25.3 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 94% | 0.937 | 75% | 0.75 | S | S | * | * | | | trans | 72.4 | 102.5 | 143.2 | -161.8 | 71.4 | 0 | 0 | 0 | 120 | | |
| 365 | G | 25.7 | Very low | 25.5 | Very low | 77 Ų | 77 | 144.7 Ų | 144.7 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | | | trans | -165.9 | 126.2 | 162 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 366 | K | 25.7 | Very low | 25.7 | Very low | 206 Ų | 206 | 146.1 Ų | 146.1 | 90% | 0.896 | 75% | 0.752 | S | S | * | * | | | trans | -100.8 | 169.1 | 179.1 | -84.7 | -166.9 | 177.6 | -174.2 | 0 | 112.2 | | |
| 367 | A | 27.7 | Very low | 25.8 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | | | trans | 77.1 | 129.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 368 | K | 24.8 | Very low | 25.7 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | cis | 73.3 | 121.3 | 37.5 | -160.9 | -173.2 | -169.9 | -82 | 0 | 112.5 | | |
| 369 | D | 23 | Very low | 25.1 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | | | trans | 75.2 | 139.7 | 155.7 | -94.8 | -47.9 | 0 | 0 | 0 | 123.1 | | |
| 370 | S | 22.9 | Very low | 25.1 | Very low | 93 Ų | 93 | 141 Ų | 141 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | trans | 93.8 | 126.1 | 135.4 | 75.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 371 | F | 23.2 | Very low | 25.6 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | | | | 48.7 | 111.1 | 129.1 | -74.6 | -118.8 | 0 | 0 | 0 | 118.6 | E373 | F371-E373 HydrophobicContact CD1-CB 3.98Å; F371-E373 HydrophobicContact CD1-CG 4.28Å |
| 372 | N | 26.3 | Very low | 25.2 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | | | | -146 | 133.2 | 85.4 | 39.4 | 104.3 | 0 | 0 | 0 | 109.6 | | |
| 373 | E | 24.1 | Very low | 25.4 | Very low | 107 Ų | 107 | 141 Ų | 141 | 50% | 0.5 | 76% | 0.757 | S | S | . | * | | | cis | 94 | 115.9 | 32.1 | -174.3 | -166.3 | 162.3 | 0 | 0 | 113.1 | F371 | F371-E373 HydrophobicContact CD1-CB 3.98Å; F371-E373 HydrophobicContact CD1-CG 4.28Å |
| 374 | K | 23.7 | Very low | 25.7 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | | | trans | 57.4 | 131.8 | 161.6 | -63.3 | 164.3 | -162.3 | 156.7 | 0 | 115.1 | | |
| 375 | R | 27 | Very low | 26 | Very low | 212 Ų | 212 | 140.1 Ų | 140.1 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | | | | -166.9 | 138.8 | 69.3 | -92.1 | -178.1 | 165.8 | -116.8 | -7.7 | 113.2 | | |
| 376 | I | 26.9 | Very low | 26.1 | Very low | 136 Ų | 136 | 146.4 Ų | 146.4 | 70% | 0.697 | 74% | 0.737 | S | S | * | * | | | | 62.7 | 128.4 | 128.1 | -59.8 | 173.7 | 0 | 0 | 0 | 116.7 | | |
| 377 | A | 27.8 | Very low | 26.4 | Very low | 86 Ų | 86 | 141.5 Ų | 141.5 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | | | cis | -153.4 | 156.9 | 5.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 378 | V | 23.7 | Very low | 26.5 | Very low | 143 Ų | 143 | 143 Ų | 143 | 87% | 0.867 | 73% | 0.73 | S | S | * | * | | | trans | -80.5 | 128.3 | 142.9 | 171.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 379 | E | 22.6 | Very low | 26.7 | Very low | 185 Ų | 185 | 144 Ų | 144 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | | | | -174.3 | 160.7 | 125.2 | -166.2 | 151.4 | -156.6 | 0 | 0 | 110 | | |
| 380 | A | 25.4 | Very low | 27.1 | Very low | 86 Ų | 86 | 147.2 Ų | 147.2 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | trans | -89.9 | -147.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 381 | P | 39.2 | Very low | 28 | Very low | 106 Ų | 106 | 147.8 Ų | 147.8 | 69% | 0.688 | 74% | 0.744 | S | S | * | * | | | cis | -138.8 | -168.3 | 12.6 | 40.1 | -17.1 | 0 | 0 | 0 | 115.4 | | |
| 382 | M | 21.5 | Very low | 28.3 | Very low | 161 Ų | 161 | 150.2 Ų | 150.2 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | | | trans | 39.6 | 121.7 | 140 | -78 | 172.8 | 176.1 | 0 | 0 | 118.1 | | |
| 383 | R | 28.1 | Very low | 28.2 | Very low | 194 Ų | 194 | 151.9 Ų | 151.9 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | | | | 157.3 | -174.7 | 54.1 | 57.7 | -149.9 | -145.1 | -59 | -35.9 | 106.7 | | |
| 384 | E | 29 | Very low | 28.4 | Very low | 122 Ų | 122 | 157.5 Ų | 157.5 | 57% | 0.57 | 77% | 0.774 | S | S | * | * | | | cis | -145.6 | 129.4 | 6.9 | -120.4 | 131.9 | -148.3 | 0 | 0 | 103.6 | | |
| 385 | E | 28.6 | Very low | 28.5 | Very low | 148 Ų | 148 | 155.9 Ų | 155.9 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | | | | 84.5 | 111.7 | 79 | -159.7 | 176.8 | 176.5 | 0 | 0 | 115.2 | | |
| 386 | Y | 27 | Very low | 28.7 | Very low | 210 Ų | 210 | 156.7 Ų | 156.7 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | | | trans | 62.1 | 126.1 | 153.9 | -77.2 | -140.4 | 0 | 0 | 0 | 121.7 | | |
| 387 | A | 31.7 | Very low | 28.5 | Very low | 102 Ų | 102 | 158.6 Ų | 158.6 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | | -147.9 | 136.5 | 115.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 388 | D | 30.3 | Very low | 28.5 | Very low | 127 Ų | 127 | 159.5 Ų | 159.5 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | | | trans | -85.2 | 172.1 | 171 | -174.1 | 16.1 | 0 | 0 | 0 | 110.4 | | |
| 389 | F | 29.1 | Very low | 28.6 | Very low | 198 Ų | 198 | 160.7 Ų | 160.7 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | | | trans | 154.6 | 86.6 | 142.2 | -79.5 | -56.8 | 0 | 0 | 0 | 112.5 | | |
| 390 | K | 30.8 | Very low | 28.9 | Very low | 185 Ų | 185 | 158.2 Ų | 158.2 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -66.4 | 175.4 | 144.4 | -85 | -177.9 | 178.5 | 176.7 | 0 | 110.6 | | |
| 391 | P | 43 | Very low | 29 | Very low | 104 Ų | 104 | 160 Ų | 160 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | | | cis | -128.5 | -177 | -39.2 | 38 | -23.7 | 0 | 0 | 0 | 110.7 | | |
| 392 | F | 27.7 | Very low | 28.5 | Very low | 218 Ų | 218 | 162.8 Ų | 162.8 | 96% | 0.956 | 78% | 0.778 | S | S | * | * | | | trans | -151.4 | 155.9 | 152 | -102.3 | -66.1 | 0 | 0 | 0 | 113.9 | | |
| 393 | E | 25.3 | Very low | 28.7 | Very low | 191 Ų | 191 | 161.9 Ų | 161.9 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | | | trans | -97.7 | 168.5 | -174.9 | -75.4 | -175.2 | 92.9 | 0 | 0 | 114.6 | | |
| 394 | R | 28.6 | Very low | 28.6 | Very low | 225 Ų | 225 | 159.3 Ų | 159.3 | 85% | 0.849 | 77% | 0.773 | S | S | * | * | | | trans | -67.3 | 143.6 | 168.9 | 175 | -163.2 | -59.9 | 134.7 | -2.2 | 111.7 | | |
| 395 | V | 25.8 | Very low | 28.6 | Very low | 134 Ų | 134 | 158.6 Ų | 158.6 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | | | trans | 178 | 158.1 | 134.9 | 144.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 396 | W | 29.9 | Very low | 28.5 | Very low | 229 Ų | 229 | 158.6 Ų | 158.6 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | | | trans | -74.7 | 159.7 | -175.6 | -55.8 | 74.4 | 0 | 0 | 0 | 115.4 | | |
| 397 | E | 23.3 | Very low | 28.6 | Very low | 176 Ų | 176 | 153.5 Ų | 153.5 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | | -158.5 | -177.8 | 128.4 | -127.8 | -163.1 | 153.7 | 0 | 0 | 114.2 | | |
| 398 | V | 27.6 | Very low | 28.5 | Very low | 105 Ų | 105 | 156.3 Ų | 156.3 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | | | trans | -130.3 | 145.2 | -162.8 | 168.1 | 0 | 0 | 0 | 0 | 112 | | |
| 399 | K | 25.6 | Very low | 28.4 | Very low | 169 Ų | 169 | 154.2 Ų | 154.2 | 74% | 0.735 | 78% | 0.777 | S | S | * | * | | | trans | -173.1 | 117.3 | 143.2 | -107.2 | 157.5 | -166.9 | 108.2 | 0 | 118.2 | | |
| 400 | D | 29.5 | Very low | 28.4 | Very low | 133 Ų | 133 | 150.1 Ų | 150.1 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | | 35.7 | 132 | 124.5 | -47.9 | -29.2 | 0 | 0 | 0 | 123.4 | | |
| 401 | S | 27.3 | Very low | 28.1 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | | | trans | -157.3 | 152.9 | 139.3 | -81.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 402 | K | 28.6 | Very low | 27.2 | Very low | 164 Ų | 164 | 144 Ų | 144 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | | | trans | -92.7 | -170.3 | -174.2 | -42.6 | 114.4 | 129.6 | -68 | 0 | 111.8 | | |
| 403 | E | 26.1 | Very low | 27.1 | Very low | 142 Ų | 142 | 142 Ų | 142 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | | | cis | -160.2 | 166.4 | 5.1 | -140.4 | 107.1 | -121.8 | 0 | 0 | 104.9 | | |
| 404 | D | 26.9 | Very low | 27.5 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | cis | -162.2 | 172.1 | 3.4 | -163.5 | 1.6 | 0 | 0 | 0 | 109.2 | | |
| 405 | S | 28.8 | Very low | 27.3 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | trans | 66 | 143.6 | 166.2 | 73.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 406 | D | 25.5 | Very low | 27.1 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | cis | -162 | -157.8 | -23.4 | -162.2 | 22.2 | 0 | 0 | 0 | 105.1 | | |
| 407 | V | 29.9 | Very low | 26.9 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 62% | 0.624 | 76% | 0.76 | S | S | * | * | | | cis | -155.8 | 113 | 6.2 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 408 | L | 28.8 | Very low | 27 | Very low | 160 Ų | 160 | 132 Ų | 132 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | | | trans | 58.6 | 149.6 | 163.2 | -57.8 | 170.2 | 0 | 0 | 0 | 119.2 | | |
| 409 | A | 28.4 | Very low | 26.8 | Very low | 84 Ų | 84 | 135.1 Ų | 135.1 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | | | cis | -166.9 | 152.1 | -23.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 410 | A | 29.1 | Very low | 26.8 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 93% | 0.926 | 76% | 0.763 | S | S | * | * | | | trans | 63.8 | 130 | 175.4 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 411 | G | 25.2 | Very low | 26.7 | Very low | 80 Ų | 80 | 134.4 Ų | 134.4 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | cis | 176.8 | 139.3 | -7.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 412 | G | 24.3 | Very low | 26.8 | Very low | 80 Ų | 80 | 133.3 Ų | 133.3 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | | | trans | -103.6 | 140.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 413 | K | 24.5 | Very low | 26.9 | Very low | 177 Ų | 177 | 132.5 Ų | 132.5 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | | | trans | -152.5 | 137.4 | 152.3 | -145.3 | -171.5 | 165.7 | -73.1 | 0 | 112 | | |
| 414 | I | 32.9 | Very low | 27.3 | Very low | 151 Ų | 151 | 134 Ų | 134 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | | | trans | -84.3 | 159.9 | 163.5 | -58.2 | 171.2 | 0 | 0 | 0 | 107.9 | | |
| 415 | E | 24.3 | Very low | 27.5 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | | | trans | 93.1 | 136.5 | 148.8 | -139.8 | 178.6 | -159.3 | 0 | 0 | 120.5 | | |
| 416 | S | 22.8 | Very low | 27.3 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | | | trans | 87.3 | 130.6 | 150.3 | 77.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 417 | K | 25.3 | Very low | 27.3 | Very low | 190 Ų | 190 | 135.1 Ų | 135.1 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | | | trans | 58 | 123.8 | 160.7 | -67.2 | -173.8 | 175.9 | -176 | 0 | 117.6 | | |
| 418 | L | 25 | Very low | 27.1 | Very low | 145 Ų | 145 | 133.9 Ų | 133.9 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | | 61 | 109 | 63.8 | -173.8 | 121.2 | 0 | 0 | 0 | 112.5 | | |
| 419 | E | 23.6 | Very low | 26.9 | Very low | 171 Ų | 171 | 133 Ų | 133 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | | | | 162.8 | 159.7 | 118.6 | -169.3 | 157.8 | 179.7 | 0 | 0 | 113 | | |
| 420 | S | 26.4 | Very low | 26.9 | Very low | 100 Ų | 100 | 134 Ų | 134 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | | | trans | 80.1 | 104.7 | 163.4 | 71.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 421 | K | 26.9 | Very low | 26.7 | Very low | 187 Ų | 187 | 135.1 Ų | 135.1 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | | | | 48.5 | 127.9 | 119.5 | -68 | -174.4 | 179.9 | -175.1 | 0 | 119.5 | | |
| 422 | V | 29.4 | Very low | 26.8 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 61% | 0.612 | 74% | 0.74 | S | S | * | * | | | cis | 59.9 | 97.9 | 43.5 | -170.5 | 0 | 0 | 0 | 0 | 114.6 | K424 | V422-K424 HydrophobicContact CG1-CD 4.13Å; V422-K424 HydrophobicContact CG1-CG 4.3Å |
| 423 | D | 30.6 | Very low | 26.9 | Very low | 147 Ų | 147 | 141.3 Ų | 141.3 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | | | | -163.3 | 134.4 | 123.5 | -91.2 | -34.2 | 0 | 0 | 0 | 107.6 | | |
| 424 | K | 35.5 | Very low | 27 | Very low | 173 Ų | 173 | 137.8 Ų | 137.8 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | | | cis | 73.2 | 98.3 | 37.8 | -65.9 | -172.6 | 171.9 | -178.2 | 0 | 115.5 | V422 | V422-K424 HydrophobicContact CG1-CD 4.13Å; V422-K424 HydrophobicContact CG1-CG 4.3Å |
| 425 | K | 30.6 | Very low | 26.7 | Very low | 185 Ų | 185 | 137 Ų | 137 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | | | trans | -170.7 | 147.8 | 136.9 | -108 | 157.9 | -178.2 | 165.8 | 0 | 109.6 | F427 | K425-F427 HydrophobicContact CB-CE2 4.32Å; K425-F427 HydrophobicContact CD-CE2 3.85Å; K425-F427 HydrophobicContact CD-CZ 4.01Å; K425-F427 HydrophobicContact CG-CD2 4.16Å; K425-F427 HydrophobicContact CG-CE2 3.78Å; K425-F427 HydrophobicContact CG-CZ 4.24Å |
| 426 | G | 25.3 | Very low | 26.9 | Very low | 68 Ų | 68 | 137 Ų | 137 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | | | cis | -167.1 | -165.8 | -4.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 427 | F | 23.9 | Very low | 27.1 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 73% | 0.728 | 73% | 0.726 | S | S | * | * | | | cis | -162.1 | 158.9 | 10.1 | -116.1 | -83.5 | 0 | 0 | 0 | 109.3 | K425 | K425-F427 HydrophobicContact CB-CE2 4.32Å; K425-F427 HydrophobicContact CD-CE2 3.85Å; K425-F427 HydrophobicContact CD-CZ 4.01Å; K425-F427 HydrophobicContact CG-CD2 4.16Å; K425-F427 HydrophobicContact CG-CE2 3.78Å; K425-F427 HydrophobicContact CG-CZ 4.24Å |
| 428 | A | 25.8 | Very low | 27.4 | Very low | 77 Ų | 77 | 137.1 Ų | 137.1 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | | | trans | 67.5 | 147.8 | 150.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 429 | D | 26 | Very low | 27.6 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | | | cis | -166.4 | 158.7 | -22.2 | -111.9 | -46.1 | 0 | 0 | 0 | 112 | | |
| 430 | S | 28.5 | Very low | 28.1 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | | | trans | 66.3 | 160.6 | 160.3 | -55.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 431 | L | 25.1 | Very low | 28.3 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | | | cis | -150.9 | 149.9 | 4.2 | -159.6 | 60.9 | 0 | 0 | 0 | 111.6 | | |
| 432 | E | 25.9 | Very low | 28.4 | Very low | 136 Ų | 136 | 131 Ų | 131 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | | | trans | 47.1 | 123.2 | 152.1 | -74.1 | 176.6 | 143.8 | 0 | 0 | 122.9 | | |
| 433 | Q | 27.7 | Very low | 28.5 | Very low | 153 Ų | 153 | 130.4 Ų | 130.4 | 72% | 0.715 | 70% | 0.7 | S | S | * | * | | | | 77.3 | 143.2 | 106.7 | -70.4 | -177.9 | 30.5 | 0 | 0 | 116.4 | | |
| 434 | T | 25.6 | Very low | 28.6 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 64% | 0.638 | 69% | 0.694 | S | S | * | * | | | cis | -143.2 | 132 | 0.1 | 36.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 435 | N | 26.1 | Very low | 28.5 | Very low | 135 Ų | 135 | 127.1 Ų | 127.1 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | | | | 72.3 | 153 | 83.9 | -60.4 | -38.7 | 0 | 0 | 0 | 117.1 | | |
| 436 | H | 29.1 | Very low | 28.5 | Very low | 160 Ų | 160 | 124.7 Ų | 124.7 | 74% | 0.741 | 69% | 0.686 | S | S | * | * | | | trans | 74 | 139.4 | 172.7 | -73.9 | -96.8 | 0 | 0 | 0 | 116.7 | | |
| 437 | E | 27.7 | Very low | 28.5 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 67% | 0.673 | 68% | 0.684 | S | S | * | * | | | cis | -150.7 | 127.8 | -0.9 | -156.5 | 134.5 | -176.6 | 0 | 0 | 107.7 | | |
| 438 | K | 30.9 | Very low | 28.6 | Very low | 146 Ų | 146 | 123.9 Ų | 123.9 | 64% | 0.635 | 69% | 0.686 | S | S | * | * | | | | 55.4 | 152.9 | 99.3 | -61.1 | 174.9 | 125.7 | -66.2 | 0 | 115.8 | | |
| 439 | D | 29.6 | Very low | 29.1 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 62% | 0.62 | 70% | 0.698 | S | S | * | * | | | cis | -160.7 | 169.7 | 4.3 | -111.8 | -3.6 | 0 | 0 | 0 | 109.4 | | |
| 440 | S | 34.3 | Very low | 29.7 | Very low | 89 Ų | 89 | 129 Ų | 129 | 62% | 0.622 | 70% | 0.701 | S | S | * | * | | | trans | 38.8 | 160.6 | 141.8 | -66.1 | 0 | 0 | 0 | 0 | 122.8 | | |
| 441 | E | 30.5 | Very low | 29.5 | Very low | 177 Ų | 177 | 129.3 Ų | 129.3 | 83% | 0.827 | 70% | 0.703 | S | S | * | * | | | cis | -161.6 | 174.3 | -13.6 | -108.1 | 162.4 | 82.3 | 0 | 0 | 104.9 | | |
| 442 | S | 29 | Very low | 30.2 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | | | cis | -148.1 | 151.3 | 18.4 | 65 | 0 | 0 | 0 | 0 | 109.3 | | |
| 443 | S | 31.3 | Very low | 30.6 | Very low | 89 Ų | 89 | 127.9 Ų | 127.9 | 62% | 0.622 | 71% | 0.711 | S | S | * | * | | | | 51.7 | 135.5 | 94.1 | 111.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 444 | N | 32.5 | Very low | 30.4 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 66% | 0.663 | 72% | 0.717 | S | S | * | * | | | cis | -168 | 161.8 | -1.1 | -112.9 | 25.6 | 0 | 0 | 0 | 109.3 | | |
| 445 | D | 34.1 | Very low | 30.4 | Very low | 127 Ų | 127 | 128 Ų | 128 | 68% | 0.679 | 72% | 0.718 | S | S | * | * | | | trans | 38.5 | 158.9 | 140.5 | -32.7 | -31.9 | 0 | 0 | 0 | 122 | | |
| 446 | D | 28.7 | Very low | 30.4 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | | | cis | -162.8 | 167.9 | 6.4 | -143.8 | -17.1 | 0 | 0 | 0 | 114.8 | | |
| 447 | T | 26.8 | Very low | 30.3 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | | | trans | 56.5 | 118.6 | 150.8 | 50.7 | 0 | 0 | 0 | 0 | 125.2 | | |
| 448 | S | 25.6 | Very low | 30.2 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | | | | 87 | 140.1 | 121 | 75.4 | 0 | 0 | 0 | 0 | 124.1 | | |
| 449 | F | 36 | Very low | 30.2 | Very low | 200 Ų | 200 | 133.4 Ų | 133.4 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | | | trans | -84.8 | 163.1 | 160.3 | -68.3 | -96.1 | 0 | 0 | 0 | 111 | | |
| 450 | P | 38.3 | Very low | 30 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | | -147.3 | -173 | 107.2 | 40.5 | -25.4 | 0 | 0 | 0 | 115.5 | | |
| 451 | S | 25.6 | Very low | 29.9 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | | | trans | -87.3 | 176.6 | -172.7 | -46.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 452 | T | 37.9 | Very low | 29.9 | Very low | 123 Ų | 123 | 129 Ų | 129 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | | | trans | -26.4 | 149.6 | 163.6 | 50 | 0 | 0 | 0 | 0 | 119.4 | | |
| 453 | P | 34.6 | Very low | 29.9 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | | -116.5 | 149.2 | 126.2 | 36.5 | -29.9 | 0 | 0 | 0 | 110.1 | | |
| 454 | E | 23.7 | Very low | 29.7 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | | | cis | 83.1 | 123.1 | 14.7 | -139.2 | -159.9 | 149.4 | 0 | 0 | 118.5 | | |
| 455 | A | 27 | Very low | 29.4 | Very low | 80 Ų | 80 | 138.9 Ų | 138.9 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | | | trans | 80.7 | 159.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 456 | I | 25.1 | Very low | 29 | Very low | 166 Ų | 166 | 138 Ų | 138 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | 88 | 133.7 | 167 | -56.3 | 172.3 | 0 | 0 | 0 | 116.7 | | |
| 457 | K | 27.4 | Very low | 29.4 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | | | cis | -173.5 | 151.4 | -32.2 | -144.6 | 178.8 | 177.1 | 178.3 | 0 | 109.8 | | |
| 458 | D | 26.2 | Very low | 29.9 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | | | trans | 62.5 | 161.9 | 167.1 | -50.8 | -49.1 | 0 | 0 | 0 | 114.5 | | |
| 459 | R | 28.9 | Very low | 29.8 | Very low | 227 Ų | 227 | 139.9 Ų | 139.9 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | cis | -147.7 | 155.5 | 9.2 | -160.6 | 171.1 | -173.6 | 152.9 | 2.3 | 112.1 | | |
| 460 | S | 26.3 | Very low | 29.9 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | -54.7 | 142 | 172.7 | 56.8 | 0 | 0 | 0 | 0 | 115 | | |
| 461 | G | 33.4 | Very low | 30.1 | Very low | 78 Ų | 78 | 137.7 Ų | 137.7 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -157.2 | 58.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 462 | A | 28.7 | Very low | 30.1 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | -84.7 | 128.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 463 | Y | 29.2 | Very low | 29.7 | Very low | 228 Ų | 228 | 135.7 Ų | 135.7 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | | | trans | -156.5 | 139.7 | 134.9 | 52.6 | -93.2 | 0 | 0 | 0 | 112.3 | | |
| 464 | I | 27.5 | Very low | 29.4 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | | | trans | -85.9 | 147.6 | 170.2 | -65.6 | 156.7 | 0 | 0 | 0 | 108.2 | | |
| 465 | T | 26.8 | Very low | 29.6 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -170.2 | 137.4 | 134.9 | -71.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 466 | C | 25.1 | Very low | 29.5 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | | | trans | -108.7 | 129.7 | -170.6 | -56.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 467 | A | 36.6 | Very low | 29.8 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | 62.3 | -174.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 468 | P | 38.1 | Very low | 30 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | | | cis | -132.3 | -171 | -7.4 | 23.7 | 2.3 | 0 | 0 | 0 | 115.1 | | |
| 469 | F | 22.9 | Very low | 30.1 | Very low | 195 Ų | 195 | 130.6 Ų | 130.6 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | | | trans | 78.7 | 122.2 | 162.5 | -70.9 | -77 | 0 | 0 | 0 | 121.6 | | |
| 470 | N | 39 | Very low | 29.9 | Very low | 151 Ų | 151 | 126.1 Ų | 126.1 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | | | trans | -77.4 | 156.9 | 145.7 | -69.5 | -44.2 | 0 | 0 | 0 | 109.8 | | |
| 471 | P | 42.8 | Very low | 30 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 84% | 0.844 | 77% | 0.774 | S | S | * | * | | | | -141 | -169.1 | 104 | 37.5 | -22.5 | 0 | 0 | 0 | 113.9 | | |
| 472 | A | 25.3 | Very low | 29.7 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -110.6 | -174.9 | -163.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 473 | A | 29.6 | Very low | 30.4 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | 78.8 | 147.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 474 | T | 27.2 | Very low | 30.3 | Very low | 117 Ų | 117 | 129 Ų | 129 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | | | cis | -160.8 | 169.1 | -2.9 | 3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 475 | E | 27.8 | Very low | 30.3 | Very low | 165 Ų | 165 | 128.7 Ų | 128.7 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | | | trans | 71.1 | 117.2 | 142.4 | -78.7 | 175 | 138.5 | 0 | 0 | 124.9 | | |
| 476 | S | 26.2 | Very low | 30.3 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | | 85.7 | 154.8 | 120.6 | 87.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 477 | I | 31 | Very low | 30.3 | Very low | 158 Ų | 158 | 126.5 Ų | 126.5 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | | | cis | -166.7 | 158.2 | -17.1 | -114.5 | 171.6 | 0 | 0 | 0 | 112.1 | | |
| 478 | A | 30.9 | Very low | 29.8 | Very low | 83 Ų | 83 | 129.4 Ų | 129.4 | 69% | 0.686 | 75% | 0.747 | S | S | * | * | | | trans | 71.4 | 159.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 479 | T | 28.2 | Very low | 29.4 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | cis | -150.7 | 157.2 | 14.1 | -27.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 480 | N | 26.4 | Very low | 29.7 | Very low | 134 Ų | 134 | 127.1 Ų | 127.1 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | | | trans | 94.1 | 137.3 | 157.4 | -53.2 | -49.3 | 0 | 0 | 0 | 118.4 | | |
| 481 | I | 27.7 | Very low | 28.9 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | | | cis | -156.8 | 158.7 | -17.2 | -120.4 | 162 | 0 | 0 | 0 | 111 | | |
| 482 | F | 27.9 | Very low | 28.1 | Very low | 180 Ų | 180 | 128.3 Ų | 128.3 | 79% | 0.789 | 75% | 0.746 | S | S | * | * | | | trans | -43.5 | 170 | 171.6 | -79.2 | -89.2 | 0 | 0 | 0 | 117.8 | | |
| 483 | P | 43 | Very low | 28 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | | | cis | -147.8 | 162.8 | 28.6 | 31 | -6 | 0 | 0 | 0 | 122.4 | | |
| 484 | L | 27.2 | Very low | 27.9 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | | | trans | 63.3 | 147.3 | 147.1 | -88.5 | 80.2 | 0 | 0 | 0 | 120.4 | | |
| 485 | L | 26.9 | Very low | 27.9 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | | | cis | -163.6 | 129.5 | -16.5 | -172.9 | 57.2 | 0 | 0 | 0 | 113.2 | | |
| 486 | G | 26.9 | Very low | 27.9 | Very low | 61 Ų | 61 | 133.3 Ų | 133.3 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | | | trans | 70.5 | 161.3 | 144.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 487 | D | 25.8 | Very low | 28.2 | Very low | 137 Ų | 137 | 137 Ų | 137 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | | | cis | -156.7 | 160.5 | -18.4 | -107.7 | -24.4 | 0 | 0 | 0 | 112.8 | | |
| 488 | H | 26 | Very low | 28.4 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | | | trans | -63 | 161.6 | -167.7 | -52 | -76.6 | 0 | 0 | 0 | 119.2 | | |
| 489 | T | 28.6 | Very low | 28.9 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | | | trans | 39.6 | 136.9 | 137.4 | 59.1 | 0 | 0 | 0 | 0 | 121.9 | | |
| 490 | S | 28.7 | Very low | 29.4 | Very low | 117 Ų | 117 | 141 Ų | 141 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | | | | -171.7 | 160.7 | 119.4 | 62.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 491 | E | 23.3 | Very low | 29.5 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 80% | 0.799 | 73% | 0.727 | S | S | * | * | | | trans | -33.8 | 146.7 | 162.2 | -69.7 | 170.8 | 81.7 | 0 | 0 | 119.4 | | |
| 492 | N | 24.7 | Very low | 29.8 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | | | | 44.2 | 143.3 | 115.9 | -158.2 | 17 | 0 | 0 | 0 | 121.4 | | |
| 493 | K | 25.1 | Very low | 30.2 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 73% | 0.726 | 72% | 0.722 | S | S | * | * | | | trans | 70 | 115.7 | 159.8 | -91.7 | -175.2 | 173.7 | -175.3 | 0 | 119.2 | | |
| 494 | T | 27.2 | Very low | 29.6 | Very low | 108 Ų | 108 | 140 Ų | 140 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | | | | 46.9 | 100.6 | 103.6 | -50.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 495 | D | 27.4 | Very low | 29.5 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | | | | -168.8 | 141 | 89.1 | -111.2 | -31.5 | 0 | 0 | 0 | 116.9 | | |
| 496 | E | 27 | Very low | 29.6 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 76% | 0.757 | 73% | 0.726 | S | S | * | * | | | trans | 7.8 | 113.5 | 137.5 | -170.8 | -170 | -110.9 | 0 | 0 | 118.8 | | |
| 497 | K | 32.9 | Very low | 29.9 | Very low | 183 Ų | 183 | 145.1 Ų | 145.1 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | | | trans | -166.6 | 100.7 | 141.4 | -115.3 | 177.1 | -158.1 | 71.7 | 0 | 115 | | |
| 498 | K | 35 | Very low | 30 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | | | | 161.4 | 135.2 | 104.9 | -95.6 | -174.1 | 151.1 | -162.4 | 0 | 113.7 | | |
| 499 | I | 40.3 | Very low | 30.1 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 64% | 0.641 | 74% | 0.738 | S | S | * | * | | | trans | 63.6 | 125.6 | 134.2 | -62.5 | 177.6 | 0 | 0 | 0 | 116.1 | | |
| 500 | E | 39.8 | Very low | 30.2 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | | | cis | -162.6 | 105.7 | -5.4 | -156 | 74.1 | -110.3 | 0 | 0 | 103.9 | | |
| 501 | E | 28.2 | Very low | 30 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 57% | 0.57 | 73% | 0.733 | S | S | * | * | | | | 85.5 | 137.2 | 88.5 | -159.8 | -144.1 | 176 | 0 | 0 | 113.5 | | |
| 502 | K | 34.9 | Very low | 30.2 | Very low | 149 Ų | 149 | 145.1 Ų | 145.1 | 65% | 0.648 | 73% | 0.73 | S | S | * | * | | | trans | 73.4 | 139 | 172.4 | -49.7 | -166.8 | 175 | 89.3 | 0 | 115.1 | | |
| 503 | K | 35.7 | Very low | 30.3 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 79% | 0.787 | 73% | 0.729 | S | S | * | * | | | cis | -168.4 | 149.3 | -0.4 | -122.5 | 176.4 | -179.7 | -174.2 | 0 | 110.6 | | |
| 504 | A | 30.3 | Very low | 30.3 | Very low | 92 Ų | 92 | 141.3 Ų | 141.3 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | | | trans | 63.5 | 133.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 505 | Q | 25.6 | Very low | 30.1 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | | | cis | 58.3 | 142.2 | 0.2 | -143.7 | -171.7 | 51.8 | 0 | 0 | 118.4 | | |
| 506 | I | 28.6 | Very low | 30.3 | Very low | 132 Ų | 132 | 144 Ų | 144 | 68% | 0.677 | 74% | 0.735 | S | S | * | * | | | trans | 88.7 | 89.1 | 172.4 | -50.7 | 173.7 | 0 | 0 | 0 | 115.2 | T508 | I506-T508 PolarHBondContact O-N 3.42Å; I506-T508 VanDerWaalsContact O-N 3.16Å; I506-T508 PolarHBondContact O-OG1 2.87Å |
| 507 | V | 32.7 | Very low | 30.4 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 88% | 0.879 | 73% | 0.73 | S | S | * | * | | | trans | -20 | 108.6 | 141.9 | 177.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 508 | T | 28.5 | Very low | 30 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 74% | 0.742 | 73% | 0.73 | S | S | * | * | | | trans | -137.8 | 122.5 | 167.3 | -47.9 | 0 | 0 | 0 | 0 | 104.8 | I506 | I506-T508 PolarHBondContact O-N 3.42Å; I506-T508 VanDerWaalsContact O-N 3.16Å; I506-T508 PolarHBondContact O-OG1 2.87Å |
| 509 | E | 28.5 | Very low | 30.3 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | | | cis | -136.9 | 134.9 | 50 | -167.5 | 178.4 | 154.1 | 0 | 0 | 114.5 | N511 | E509-N511 PolarHBondContact OE1-ND2 3.41Š|
| 510 | K | 28.9 | Very low | 29.6 | Very low | 201 Ų | 201 | 137.8 Ų | 137.8 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | | | trans | -101.4 | 108.1 | 168.7 | -99.7 | -178.6 | 175.4 | 171 | 0 | 109.9 | | |
| 511 | N | 25.1 | Very low | 29.3 | Very low | 121 Ų | 121 | 138 Ų | 138 | 65% | 0.647 | 74% | 0.736 | S | S | * | * | | | trans | -159.5 | 132.6 | 171.8 | -87.5 | -39.7 | 0 | 0 | 0 | 107.8 | E509 | E509-N511 PolarHBondContact OE1-ND2 3.41Š|
| 512 | T | 28.2 | Very low | 29.4 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | | | cis | -158.5 | 160.8 | -5.4 | 40.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 513 | S | 25.6 | Very low | 29.2 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | | | trans | 24.3 | 135.4 | 144.9 | 158.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 514 | T | 25 | Very low | 28.9 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | | | cis | -169.2 | 171.4 | -0.3 | 25.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 515 | K | 24.8 | Very low | 28.9 | Very low | 192 Ų | 192 | 132.9 Ų | 132.9 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | | | trans | 73.7 | 145.8 | 166.3 | -75.7 | -169.4 | 169.4 | -177.1 | 0 | 117.6 | | |
| 516 | T | 30.3 | Very low | 28.9 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | | | cis | -166 | 135.7 | -20.6 | -111.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 517 | S | 29.8 | Very low | 28.9 | Very low | 93 Ų | 93 | 129.1 Ų | 129.1 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | | | trans | 52.2 | 122.3 | 152.4 | 76 | 0 | 0 | 0 | 0 | 122.7 | | |
| 518 | N | 23.9 | Very low | 28.7 | Very low | 148 Ų | 148 | 130 Ų | 130 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | | | | 16 | 164.9 | 94 | -56.3 | 30.2 | 0 | 0 | 0 | 117.9 | | |
| 519 | P | 42.4 | Very low | 28.6 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 66% | 0.662 | 72% | 0.724 | S | S | * | * | | | cis | -116.6 | -151.6 | 2.7 | 46.2 | -33.8 | 0 | 0 | 0 | 110.8 | | |
| 520 | F | 25.9 | Very low | 28.5 | Very low | 166 Ų | 166 | 128.8 Ų | 128.8 | 73% | 0.728 | 73% | 0.726 | S | S | * | * | | | cis | -153 | 175.9 | 7.5 | -113.4 | 151.2 | 0 | 0 | 0 | 107.3 | V522 | F520-V522 HydrophobicContact CD2-CB 4.44Å; F520-V522 HydrophobicContact CD2-CG2 3.58Å; F520-V522 HydrophobicContact CE2-CG2 3.45Å; F520-V522 VanDerWaalsContact CE2-CG2 3.45Å; F520-V522 HydrophobicContact CZ-CG2 4.47Å |
| 521 | L | 31.9 | Very low | 28.2 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | | | cis | -112.1 | -173.8 | 7 | -70.5 | 169.2 | 0 | 0 | 0 | 109.8 | | |
| 522 | V | 31 | Very low | 28.2 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 58% | 0.582 | 71% | 0.706 | S | S | * | * | | | cis | 86.1 | 81.8 | 8 | -172.4 | 0 | 0 | 0 | 0 | 115.4 | F520 | F520-V522 HydrophobicContact CD2-CB 4.44Å; F520-V522 HydrophobicContact CD2-CG2 3.58Å; F520-V522 HydrophobicContact CE2-CG2 3.45Å; F520-V522 VanDerWaalsContact CE2-CG2 3.45Å; F520-V522 HydrophobicContact CZ-CG2 4.47Å |
| 523 | A | 31.1 | Very low | 28.1 | Very low | 94 Ų | 94 | 123.5 Ų | 123.5 | 78% | 0.777 | 70% | 0.695 | S | S | * | * | | | | 72.3 | 152.3 | 77.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 524 | A | 29.8 | Very low | 28.4 | Very low | 83 Ų | 83 | 124 Ų | 124 | 69% | 0.686 | 69% | 0.694 | S | S | * | * | | | cis | -143.4 | -164.2 | 16.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 525 | Q | 28.7 | Very low | 28.6 | Very low | 162 Ų | 162 | 121.6 Ų | 121.6 | 76% | 0.757 | 68% | 0.677 | S | S | * | * | | | cis | -158.5 | 140.7 | 12.7 | -160.5 | 154.1 | 2.6 | 0 | 0 | 114.5 | | |
| 526 | D | 25.8 | Very low | 28.9 | Very low | 122 Ų | 122 | 119.3 Ų | 119.3 | 65% | 0.652 | 67% | 0.674 | S | S | * | * | | | trans | 17.9 | 156.3 | 148.4 | -41.3 | -28.1 | 0 | 0 | 0 | 122.9 | | |
| 527 | S | 29.9 | Very low | 28.9 | Very low | 110 Ų | 110 | 121.4 Ų | 121.4 | 77% | 0.769 | 68% | 0.68 | S | S | * | * | | | trans | 83.7 | 150.1 | 146.3 | 75.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 528 | E | 27.6 | Very low | 28.8 | Very low | 164 Ų | 164 | 120.4 Ų | 120.4 | 77% | 0.766 | 68% | 0.684 | S | S | * | * | | | cis | -174.8 | 134.4 | -23 | 179.6 | 167.6 | 152.8 | 0 | 0 | 108.7 | | |
| 529 | T | 26.9 | Very low | 29.2 | Very low | 108 Ų | 108 | 122.7 Ų | 122.7 | 66% | 0.663 | 69% | 0.687 | S | S | * | * | | | trans | 62.2 | 149 | 159.1 | 56.9 | 0 | 0 | 0 | 0 | 122.6 | | |
| 530 | D | 26.2 | Very low | 28.5 | Very low | 141 Ų | 141 | 123.4 Ų | 123.4 | 75% | 0.754 | 69% | 0.69 | S | S | * | * | | | trans | 59.4 | 108.1 | 134.1 | -67.2 | 4.1 | 0 | 0 | 0 | 122.3 | | |
| 531 | Y | 22.6 | Very low | 28.5 | Very low | 182 Ų | 182 | 120.6 Ų | 120.6 | 71% | 0.714 | 69% | 0.686 | S | S | * | * | | | | 71.6 | 96.8 | 107.1 | -154 | -108.1 | 0 | 0 | 0 | 117.9 | R29 | R29-Y531 PolarHBondContact NH1-OH 3.38Š|
| 532 | V | 25.7 | Very low | 28.4 | Very low | 64 Ų | 64 | 121.6 Ų | 121.6 | 39% | 0.388 | 69% | 0.687 | S | S | . | * | | | | 87.4 | 140.4 | 117.1 | 131.7 | 0 | 0 | 0 | 0 | 120.2 | R29 | R29-V532 VanDerWaalsContact NE-CG1 3.3Š|
| 533 | T | 26.1 | Very low | 28.4 | Very low | 82 Ų | 82 | 124.2 Ų | 124.2 | 50% | 0.503 | 69% | 0.693 | S | S | . | * | | | trans | 64.4 | 149.6 | 173 | 26.3 | 0 | 0 | 0 | 0 | 115.9 | R29 | R29-T533 HydrophobicContact CG-CG2 4.01Š|
| 534 | T | 32.2 | Very low | 28.5 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 68% | 0.681 | 69% | 0.689 | S | S | * | * | | | cis | -142.8 | 140.3 | 4 | 27.5 | 0 | 0 | 0 | 0 | 107 | | |
| 535 | D | 27.8 | Very low | 28.3 | Very low | 71 Ų | 71 | 127 Ų | 127 | 38% | 0.38 | 69% | 0.691 | S | S | . | * | | | | 59.5 | 96.3 | 71.3 | -162.1 | 3 | 0 | 0 | 0 | 113.9 | | |
| 536 | N | 31.1 | Very low | 28.5 | Very low | 143 Ų | 143 | 123 Ų | 123 | 77% | 0.765 | 69% | 0.685 | S | S | * | * | | | trans | 80.1 | 141.9 | 151.5 | -95.9 | -71.6 | 0 | 0 | 0 | 124.5 | | |
| 537 | L | 29.7 | Very low | 28.6 | Very low | 159 Ų | 159 | 124.5 Ų | 124.5 | 83% | 0.832 | 69% | 0.693 | S | S | * | * | | | trans | 95.3 | 81.7 | 136.9 | -156.3 | 70.6 | 0 | 0 | 0 | 123.6 | | |
| 538 | G | 29.7 | Very low | 28.4 | Very low | 72 Ų | 72 | 127.9 Ų | 127.9 | 74% | 0.742 | 70% | 0.699 | S | S | * | * | | | | 78.6 | 148.3 | 100.8 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 539 | K | 30.3 | Very low | 29.1 | Very low | 197 Ų | 197 | 124.6 Ų | 124.6 | 86% | 0.857 | 69% | 0.692 | S | S | * | * | | | trans | 82.5 | 110 | 150.3 | -82.6 | -158.1 | 169.7 | -170.9 | 0 | 123.4 | | |
| 540 | V | 28.4 | Very low | 29.2 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 71% | 0.709 | 70% | 0.702 | S | S | * | * | | | | 91.9 | 147.1 | 114.3 | 166.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 541 | T | 26.2 | Very low | 29.2 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 65% | 0.65 | 70% | 0.701 | S | S | * | * | | | trans | 86 | 126.8 | 161.7 | 24.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 542 | E | 29.8 | Very low | 29.6 | Very low | 169 Ų | 169 | 124 Ų | 124 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | | | | 51.8 | 148.4 | 128.4 | -75.4 | 166.7 | -177 | 0 | 0 | 121.7 | | |
| 543 | E | 30.2 | Very low | 29.9 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 71% | 0.71 | 73% | 0.725 | S | S | * | * | | | cis | -167.7 | 149.8 | -18.4 | -147.3 | -159.4 | 127 | 0 | 0 | 110.3 | | |
| 544 | V | 33.3 | Very low | 30.9 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 70% | 0.697 | 74% | 0.737 | S | S | * | * | | | trans | 71.7 | 140.6 | 138.5 | 116.5 | 0 | 0 | 0 | 0 | 125 | | |
| 545 | V | 27.3 | Very low | 30.7 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | trans | 76.6 | 88.3 | 152.7 | 171.1 | 0 | 0 | 0 | 0 | 122.8 | | |
| 546 | A | 33.3 | Very low | 31 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | | | | 52.3 | 145.3 | 96.4 | 0 | 0 | 0 | 0 | 0 | 125.8 | | |
| 547 | N | 26.4 | Very low | 31.2 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | | | trans | 93.6 | 111.7 | 149.7 | -60.8 | -37.1 | 0 | 0 | 0 | 122.6 | | |
| 548 | M | 25.4 | Very low | 31.4 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 89% | 0.892 | 75% | 0.753 | S | S | * | * | | | | 25.6 | 163.1 | 123.3 | -97.4 | -156 | 172 | 0 | 0 | 122.8 | | |
| 549 | P | 43.5 | Very low | 31.7 | Very low | 95 Ų | 95 | 137.1 Ų | 137.1 | 62% | 0.617 | 76% | 0.756 | S | S | * | * | | | cis | -141.7 | -177.5 | 17.2 | 42.9 | -23.2 | 0 | 0 | 0 | 118.5 | | |
| 550 | E | 28.2 | Very low | 32 | Very low | 188 Ų | 188 | 131.3 Ų | 131.3 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | | | trans | 48.2 | 130.4 | 144.6 | -73.1 | 172 | 141.2 | 0 | 0 | 123.9 | | |
| 551 | G | 25.9 | Very low | 32.1 | Very low | 71 Ų | 71 | 131 Ų | 131 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | | | trans | 141.2 | 91.8 | 134 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 552 | L | 31.9 | Very low | 32.5 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | | | trans | 47.9 | 102 | 144.5 | -77.3 | 153.8 | 0 | 0 | 0 | 121.2 | | |
| 553 | T | 31.5 | Very low | 32.6 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | trans | 55.5 | 151.4 | 130.4 | 57.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 554 | P | 46.4 | Very low | 32.8 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | | | cis | -139.6 | -164.4 | -28.5 | 38.9 | -19.4 | 0 | 0 | 0 | 113 | | |
| 555 | D | 27.8 | Very low | 32.8 | Very low | 144 Ų | 144 | 130 Ų | 130 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | | | trans | 92.8 | 152.3 | 149.9 | -152.1 | 17.5 | 0 | 0 | 0 | 119.6 | | |
| 556 | L | 35.9 | Very low | 32.9 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 71% | 0.707 | 74% | 0.74 | S | S | * | * | | | trans | 65.3 | 102.7 | 166.2 | -110.5 | 72 | 0 | 0 | 0 | 121.4 | | |
| 557 | V | 33.6 | Very low | 32.7 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | | | trans | 70.3 | 154.4 | 147.7 | -145.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 558 | Q | 34 | Very low | 32.8 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | trans | 95.1 | 138.9 | 155.8 | -153.2 | 67.6 | 4.8 | 0 | 0 | 118.3 | | |
| 559 | E | 36.7 | Very low | 33 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | | | trans | 80.2 | 143.5 | 153.8 | -108.3 | 178.9 | 114.6 | 0 | 0 | 124.1 | | |
| 560 | A | 35.9 | Very low | 32.4 | Very low | 75 Ų | 75 | 129.2 Ų | 129.2 | 62% | 0.62 | 74% | 0.741 | S | S | * | * | | | trans | 60.8 | 117.3 | 141.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 561 | C | 31.9 | Very low | 32.4 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 75% | 0.75 | 74% | 0.739 | S | S | * | * | | | | 62.3 | 159.8 | 128.1 | -61 | 0 | 0 | 0 | 0 | 123.2 | | |
| 562 | E | 34.7 | Very low | 32.5 | Very low | 179 Ų | 179 | 132.2 Ų | 132.2 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | | | trans | 19.9 | 131.9 | 139 | -66.9 | 159.3 | -161 | 0 | 0 | 118.6 | | |
| 563 | S | 31.4 | Very low | 32.5 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | | | cis | -174.3 | 174.8 | 14 | 47 | 0 | 0 | 0 | 0 | 112.9 | | |
| 564 | E | 33.8 | Very low | 32.5 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | | | trans | 75.1 | 156.1 | 139.4 | -118.6 | 179.6 | 91 | 0 | 0 | 124.3 | | |
| 565 | L | 32.7 | Very low | 31.8 | Very low | 106 Ų | 106 | 134 Ų | 134 | 56% | 0.555 | 74% | 0.736 | S | S | * | * | | | trans | 61.9 | 121.8 | 158.2 | -59.4 | -173.4 | 0 | 0 | 0 | 122.9 | | |
| 566 | N | 29.2 | Very low | 31.9 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | | 68.2 | 154.7 | 125.9 | -63 | 4.7 | 0 | 0 | 0 | 119.6 | | |
| 567 | E | 29.2 | Very low | 31.9 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | | | cis | -173.3 | -170.3 | -22.8 | -166 | -153.1 | 139.2 | 0 | 0 | 104.7 | | |
| 568 | V | 29.3 | Very low | 31.9 | Very low | 104 Ų | 104 | 133 Ų | 133 | 63% | 0.63 | 72% | 0.719 | S | S | * | * | | | trans | 66.7 | 109.7 | 159.7 | -176.4 | 0 | 0 | 0 | 0 | 118.5 | | |
| 569 | T | 29.8 | Very low | 32 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 87% | 0.865 | 72% | 0.719 | S | S | * | * | | | trans | 69.2 | 132.1 | 151.8 | -55.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 570 | G | 31.3 | Very low | 31.6 | Very low | 73 Ų | 73 | 128.4 Ų | 128.4 | 75% | 0.753 | 70% | 0.702 | S | S | * | * | | | trans | 164.2 | 54.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | K572 | G570-K572 PolarHBondContact O-N 2.91Š|
| 571 | T | 27.9 | Very low | 31.3 | Very low | 135 Ų | 135 | 129.3 Ų | 129.3 | 83% | 0.828 | 70% | 0.696 | S | S | * | * | | | trans | -59.7 | 135.1 | 173.7 | 51.2 | 0 | 0 | 0 | 0 | 113 | | |
| 572 | K | 28.2 | Very low | 31.4 | Very low | 186 Ų | 186 | 128.8 Ų | 128.8 | 81% | 0.809 | 69% | 0.689 | S | S | * | * | | | trans | 70.6 | 129.6 | 146.6 | -147 | 177.2 | -176.1 | 173.5 | 0 | 114.3 | G570 | G570-K572 PolarHBondContact O-N 2.91Š|
| 573 | I | 31.8 | Very low | 31.4 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 77% | 0.774 | 69% | 0.692 | S | S | * | * | | | | -172.3 | 120 | 78.9 | -78.5 | 151.7 | 0 | 0 | 0 | 104.1 | | |
| 574 | A | 31.1 | Very low | 31.4 | Very low | 73 Ų | 73 | 129.9 Ų | 129.9 | 60% | 0.603 | 69% | 0.691 | S | S | * | * | | | | 80.1 | 119.8 | 53.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 575 | Y | 32.6 | Very low | 31.3 | Very low | 215 Ų | 215 | 128 Ų | 128 | 84% | 0.843 | 69% | 0.692 | S | S | * | * | | | trans | -123.6 | 117.8 | 150.7 | -70.7 | -82.8 | 0 | 0 | 0 | 104.5 | | |
| 576 | E | 29.2 | Very low | 31.1 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 71% | 0.71 | 70% | 0.704 | S | S | * | * | | | | 61.5 | 118.1 | 82.9 | -67.1 | -163.8 | 139.4 | 0 | 0 | 111.2 | | |
| 577 | T | 36.4 | Very low | 30.9 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 59% | 0.589 | 71% | 0.707 | S | S | * | * | | | cis | -156.9 | 127.5 | 21.8 | -74.8 | 0 | 0 | 0 | 0 | 108.3 | G76 | G76-T577 CarbonylContact O-C 3.11Š|
| 578 | K | 33.5 | Very low | 30.8 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 59% | 0.591 | 71% | 0.711 | S | S | * | * | | | | 83 | 126.7 | 55.8 | -74.5 | -175 | 176.4 | 179.3 | 0 | 117.4 | G76 A77 | G76-K578 PolarHBondContact O-N 3.27Å; A77-K578 CarbonylContact O-C 3.25Å; A77-K578 WeakPolarHBondContact O-CA 3.34Å; A77-K578 PolarHBondContact O-N 3.31Å |
| 579 | M | 35.6 | Very low | 30.7 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 74% | 0.744 | 72% | 0.718 | S | S | * | * | | | trans | 101.9 | 106.7 | 166.1 | -58.9 | -166 | 75.9 | 0 | 0 | 115.5 | A77 P78 | A77-M579 PolarHBondContact O-N 3.35Å; P78-M579 PolarHBondContact O-N 2.89Å |
| 580 | D | 29.2 | Very low | 30.7 | Very low | 84 Ų | 84 | 136.5 Ų | 136.5 | 45% | 0.449 | 72% | 0.719 | S | S | . | * | | | | 90.4 | 142.9 | 69.5 | -94.2 | -22.6 | 0 | 0 | 0 | 113.2 | L79 | L79-D580 WeakPolarHBondContact CA-OD1 3.29Å; L79-D580 PolarHBondContact N-OD1 3.17Å |
| 581 | L | 29.9 | Very low | 30.5 | Very low | 94 Ų | 94 | 138.1 Ų | 138.1 | 49% | 0.492 | 72% | 0.719 | S | S | . | * | | | cis | -158.2 | 154.2 | -2.1 | -179.6 | 62.6 | 0 | 0 | 0 | 111.3 | M80 | M80-L581 WeakPolarHBondContact O-CD1 3.31Å; M80-L581 WeakPolarHBondContact O-CD2 3.5Å |
| 582 | V | 32 | Very low | 30.3 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 61% | 0.606 | 72% | 0.718 | S | S | * | * | | | trans | 2.8 | 130.1 | 165.1 | 176.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 583 | Q | 34.7 | Very low | 30.4 | Very low | 192 Ų | 192 | 140.5 Ų | 140.5 | 90% | 0.897 | 72% | 0.72 | S | S | * | * | | | trans | -152.2 | 179 | 136 | -130.5 | 174.1 | 1.7 | 0 | 0 | 113.1 | | |
| 584 | T | 31.3 | Very low | 30.8 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | | | trans | -129.7 | 175.2 | -150.6 | 62.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 585 | S | 31.8 | Very low | 30.6 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | | | trans | 84.4 | 126.5 | 149.1 | -51.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 586 | E | 30 | Very low | 30.3 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | | | | 53.8 | 136.9 | 126.8 | -76.3 | -168.8 | 92.7 | 0 | 0 | 125.4 | | |
| 587 | V | 24.7 | Very low | 30.2 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | | | trans | 78.7 | 160.8 | 134.1 | 170.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 588 | M | 26.9 | Very low | 29.6 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | | | trans | -72.2 | 175.8 | -174.8 | -58.7 | 171.3 | 64.3 | 0 | 0 | 114.3 | | |
| 589 | Q | 26.7 | Very low | 29.2 | Very low | 168 Ų | 168 | 136 Ų | 136 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | | | trans | 84.7 | 84.6 | 164.1 | -61.3 | -170.9 | -35.6 | 0 | 0 | 118.1 | | |
| 590 | E | 30.9 | Very low | 30.1 | Very low | 189 Ų | 189 | 134 Ų | 134 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | | | | 37.9 | 116.5 | 104 | -172.1 | 179.1 | -174 | 0 | 0 | 118.4 | | |
| 591 | S | 25.6 | Very low | 30 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -155.8 | 129.8 | 153.8 | 53.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 592 | L | 24 | Very low | 30 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | | | trans | 51.3 | 113.2 | 151.3 | -78 | 76.5 | 0 | 0 | 0 | 122.6 | | |
| 593 | Y | 31.4 | Very low | 29.8 | Very low | 216 Ų | 216 | 140.4 Ų | 140.4 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | | | | 25.2 | 150.2 | 114.1 | -81.5 | -97 | 0 | 0 | 0 | 121 | | |
| 594 | P | 39.1 | Very low | 29.4 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | | | cis | -134.3 | -173 | 29.7 | 44.2 | -26.3 | 0 | 0 | 0 | 114.6 | | |
| 595 | A | 26.3 | Very low | 29.4 | Very low | 90 Ų | 90 | 138 Ų | 138 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | | | cis | -149.5 | 176.5 | 15.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 596 | A | 27.8 | Very low | 29.2 | Very low | 92 Ų | 92 | 142.2 Ų | 142.2 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | | | trans | -70.5 | 166.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 597 | Q | 25.6 | Very low | 29.3 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | cis | -154.4 | 178.2 | 36 | -56.9 | 173.9 | 102.6 | 0 | 0 | 110.8 | | |
| 598 | L | 25.3 | Very low | 29.7 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | | | cis | -145.5 | -128.4 | 3.9 | -141.7 | 176.8 | 0 | 0 | 0 | 111.7 | | |
| 599 | C | 25.5 | Very low | 30.8 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 72% | 0.716 | 76% | 0.763 | S | S | * | * | | | trans | -174.3 | 179.7 | -163.5 | -95.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 600 | P | 54.3 | Low | 31 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | | | cis | -145.7 | -170 | -27.7 | 38.1 | -16.5 | 0 | 0 | 0 | 116.7 | | |
| 601 | S | 27 | Very low | 32.1 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | trans | 87.7 | 118.2 | 132 | 69.5 | 0 | 0 | 0 | 0 | 126.6 | | |
| 602 | F | 28.5 | Very low | 32.3 | Very low | 176 Ų | 176 | 130.7 Ų | 130.7 | 77% | 0.772 | 76% | 0.757 | S | S | * | * | | | | 75.2 | 145.8 | 120.6 | -138.4 | -117.9 | 0 | 0 | 0 | 123.2 | | |
| 603 | E | 29.4 | Very low | 32.7 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 62% | 0.617 | 76% | 0.757 | S | S | * | * | | | trans | 20.5 | 164.6 | 157.2 | -94.1 | 77.7 | 143.9 | 0 | 0 | 122.7 | | |
| 604 | E | 26 | Very low | 33.8 | Very low | 164 Ų | 164 | 125.6 Ų | 125.6 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | | | cis | -161.7 | 170.3 | 13.6 | -138.1 | -167.1 | 100.3 | 0 | 0 | 113.4 | | |
| 605 | S | 30.2 | Very low | 33.2 | Very low | 85 Ų | 85 | 126.2 Ų | 126.2 | 59% | 0.594 | 75% | 0.747 | S | S | * | * | | | trans | 33.8 | 128 | 144.5 | -60.9 | 0 | 0 | 0 | 0 | 126.6 | | |
| 606 | E | 28.3 | Very low | 33.4 | Very low | 185 Ų | 185 | 128.7 Ų | 128.7 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | | | | 65.1 | 130.5 | 119 | -158.9 | 167.2 | 139.5 | 0 | 0 | 125.4 | | |
| 607 | A | 31.2 | Very low | 33.5 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | | | trans | 66 | 145.7 | 151.9 | 0 | 0 | 0 | 0 | 0 | 124.4 | | |
| 608 | T | 33.8 | Very low | 33.6 | Very low | 138 Ų | 138 | 130 Ų | 130 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | | | trans | -92.9 | 178.3 | -176.9 | 34.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 609 | P | 50.8 | Low | 34.2 | Very low | 108 Ų | 108 | 131 Ų | 131 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | cis | -133.9 | 176.1 | -6.1 | 29 | -7.1 | 0 | 0 | 0 | 117 | | |
| 610 | S | 29.6 | Very low | 34.6 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | | | trans | 79.4 | 155.7 | 150.2 | -74.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 611 | P | 55.3 | Low | 34 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | | | trans | -132.7 | -175.7 | -143.1 | 38.9 | -19.9 | 0 | 0 | 0 | 118.1 | | |
| 612 | V | 29 | Very low | 34.3 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | | | trans | 96.3 | 98.8 | 159.1 | 179.3 | 0 | 0 | 0 | 0 | 119.6 | | |
| 613 | L | 32.3 | Very low | 34.3 | Very low | 156 Ų | 156 | 131 Ų | 131 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | | | trans | 57.9 | 163.3 | 141.7 | -86.5 | 79.9 | 0 | 0 | 0 | 121.4 | | |
| 614 | P | 53.9 | Low | 34.4 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | cis | -139.6 | -164.1 | -40.7 | 39.1 | -19.5 | 0 | 0 | 0 | 114.1 | | |
| 615 | D | 27.4 | Very low | 34.6 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | 98.5 | 94.2 | 145.6 | -127 | 31.8 | 0 | 0 | 0 | 123.1 | | |
| 616 | I | 29.9 | Very low | 34.4 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | | | trans | 32.8 | 127.8 | 130.4 | -48.8 | 172.1 | 0 | 0 | 0 | 121.5 | | |
| 617 | V | 29.4 | Very low | 35 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | | | | -176.3 | 163.8 | 129.2 | 144.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 618 | M | 29.4 | Very low | 34.7 | Very low | 150 Ų | 150 | 127.6 Ų | 127.6 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | | | trans | -115 | 174.8 | -161.2 | -46.6 | -168.6 | -52.8 | 0 | 0 | 117.9 | | |
| 619 | E | 36.1 | Very low | 34.4 | Very low | 163 Ų | 163 | 125.5 Ų | 125.5 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | 90.4 | 101.3 | 147.9 | -79.4 | -177.8 | -150 | 0 | 0 | 123.6 | | |
| 620 | A | 35.9 | Very low | 33.2 | Very low | 90 Ų | 90 | 124 Ų | 124 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | | | | 61.2 | 175.6 | 118.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 621 | P | 41.1 | Very low | 32.9 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | | | cis | -137.1 | 153.1 | -21.1 | 21.3 | 3.4 | 0 | 0 | 0 | 118.8 | | |
| 622 | L | 33.5 | Very low | 31.5 | Very low | 153 Ų | 153 | 123.4 Ų | 123.4 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | | | trans | 71.2 | 149.1 | 136.4 | -67.9 | 172.6 | 0 | 0 | 0 | 127 | | |
| 623 | N | 28.9 | Very low | 31.2 | Very low | 145 Ų | 145 | 121.8 Ų | 121.8 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | | | trans | 79.3 | 146.1 | 155.4 | -58.9 | -39.3 | 0 | 0 | 0 | 119.8 | | |
| 624 | S | 30.6 | Very low | 30.9 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | cis | -165.2 | -172 | -11.2 | 56.4 | 0 | 0 | 0 | 0 | 112 | | |
| 625 | A | 29.2 | Very low | 29.7 | Very low | 93 Ų | 93 | 118.5 Ų | 118.5 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | -153 | -157.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 626 | V | 27.8 | Very low | 30 | Very low | 141 Ų | 141 | 115.1 Ų | 115.1 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | | | trans | 88.6 | 154.1 | 173 | 175.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 627 | P | 40.7 | Very low | 29.8 | Very low | 112 Ų | 112 | 112.1 Ų | 112.1 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | cis | -135.6 | 159 | 5.9 | 24.3 | 1.3 | 0 | 0 | 0 | 121.5 | | |
| 628 | S | 24.6 | Very low | 29.5 | Very low | 119 Ų | 119 | 110.6 Ų | 110.6 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | | | | 37.9 | 136.1 | 127.1 | -159.7 | 0 | 0 | 0 | 0 | 125.3 | | |
| 629 | A | 27.1 | Very low | 29.2 | Very low | 95 Ų | 95 | 108.9 Ų | 108.9 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | | | | 176.4 | 160 | 112.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 630 | G | 25.1 | Very low | 29.2 | Very low | 77 Ų | 77 | 106.2 Ų | 106.2 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | | | trans | -92 | -151.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 631 | A | 24.6 | Very low | 28.7 | Very low | 97 Ų | 97 | 108.4 Ų | 108.4 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | | | cis | -177.2 | 143.7 | -16.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 632 | S | 24.7 | Very low | 27.9 | Very low | 122 Ų | 122 | 111.2 Ų | 111.2 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | | | trans | 58.7 | 136.4 | 156.6 | -159.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 633 | A | 24.2 | Very low | 27.4 | Very low | 85 Ų | 85 | 107.8 Ų | 107.8 | 70% | 0.702 | 73% | 0.725 | S | S | * | * | | | | 156 | 128.8 | 107.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 634 | V | 25.5 | Very low | 27.1 | Very low | 123 Ų | 123 | 106 Ų | 106 | 75% | 0.745 | 72% | 0.724 | S | S | * | * | | | | 83 | 107.1 | 125.1 | 165 | 0 | 0 | 0 | 0 | 122.9 | | |
| 635 | Q | 28.7 | Very low | 26.8 | Very low | 71 Ų | 71 | 105.8 Ų | 105.8 | 33% | 0.332 | 72% | 0.723 | S | S | . | * | | | trans | 84 | 175.1 | 130.3 | -52.8 | -56.2 | -18.2 | 0 | 0 | 120.7 | P96 A98 | P96-Q635 VanDerWaalsContact N-OE1 3.17Å; P96-Q635 PolarHBondContact O-NE2 3.32Å; P96-Q635 PolarHBondContact O-OE1 2.83Å; A98-Q635 PolarHBondContact N-O 3.09Å; A98-Q635 VanDerWaalsContact O-O 3.14Å |
| 636 | P | 34.2 | Very low | 26.5 | Very low | 66 Ų | 66 | 107.5 Ų | 107.5 | 43% | 0.429 | 72% | 0.724 | S | S | . | * | | | | -140.7 | 158.4 | -95 | 40.8 | -20.2 | 0 | 0 | 0 | 122.3 | P96 A98 | P96-P636 HydrophobicContact CB-CB 3.84Å; P96-P636 HydrophobicContact CG-CB 4.15Å; A98-P636 CarbonylContact O-C 3.59Å; A98-P636 WeakPolarHBondContact O-CA 3.36Å |
| 637 | S | 24.2 | Very low | 26.3 | Very low | 79 Ų | 79 | 107.4 Ų | 107.4 | 55% | 0.552 | 72% | 0.719 | S | S | * | * | | | trans | 89.7 | 156.8 | 131.1 | 67.5 | 0 | 0 | 0 | 0 | 123.4 | A98 | A98-S637 PolarHBondContact O-N 2.95Š|
| 638 | S | 24.8 | Very low | 25.6 | Very low | 113 Ų | 113 | 112 Ų | 112 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | | | trans | 72.6 | 116.8 | 162.2 | 45.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 639 | S | 22.7 | Very low | 25.5 | Very low | 113 Ų | 113 | 113.3 Ų | 113.3 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | | | trans | -57.1 | 173.9 | 151.3 | -15 | 0 | 0 | 0 | 0 | 111.9 | | |
| 640 | P | 36.3 | Very low | 25.3 | Very low | 108 Ų | 108 | 112.8 Ų | 112.8 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | | | cis | -155.5 | 179.1 | 47.1 | 45.8 | -24.6 | 0 | 0 | 0 | 119.8 | | |
| 641 | L | 25.2 | Very low | 25.5 | Very low | 136 Ų | 136 | 115.6 Ų | 115.6 | 71% | 0.712 | 70% | 0.702 | S | S | * | * | | | trans | 65 | 137.5 | 144.8 | -74.7 | 159.4 | 0 | 0 | 0 | 123 | | |
| 642 | E | 23.3 | Very low | 25.5 | Very low | 167 Ų | 167 | 117.8 Ų | 117.8 | 78% | 0.78 | 70% | 0.698 | S | S | * | * | | | trans | 64 | 150.2 | 140.4 | -68 | 172.4 | 116.6 | 0 | 0 | 121.3 | | |
| 643 | A | 23.8 | Very low | 25.7 | Very low | 81 Ų | 81 | 120.2 Ų | 120.2 | 67% | 0.669 | 70% | 0.696 | S | S | * | * | | | cis | -165.8 | 157.4 | -21.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 644 | S | 21.9 | Very low | 26.3 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 75% | 0.748 | 70% | 0.697 | S | S | * | * | | | trans | 9.9 | 125.7 | 154.2 | 61.1 | 0 | 0 | 0 | 0 | 122.7 | | |
| 645 | S | 24.1 | Very low | 26.6 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | | | | 172.7 | 129.9 | 124.4 | 35.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 646 | V | 23.8 | Very low | 26.5 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 78% | 0.782 | 71% | 0.706 | S | S | * | * | | | cis | 107.8 | 116 | 35.5 | 164.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 647 | N | 23 | Very low | 26.3 | Very low | 139 Ų | 139 | 128.9 Ų | 128.9 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | | | trans | 66.8 | 105.3 | 163.5 | -79.6 | -6.9 | 0 | 0 | 0 | 122.5 | | |
| 648 | Y | 25.5 | Very low | 27.1 | Very low | 208 Ų | 208 | 130.4 Ų | 130.4 | 82% | 0.816 | 73% | 0.728 | S | S | * | * | | | | 73.2 | 163.1 | 112.2 | -115.5 | -97.3 | 0 | 0 | 0 | 121.8 | | |
| 649 | E | 23.7 | Very low | 28 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | | | trans | 90.2 | 96 | 158.2 | -140.7 | 49.8 | -107.5 | 0 | 0 | 120 | | |
| 650 | S | 23.2 | Very low | 28.3 | Very low | 84 Ų | 84 | 130.6 Ų | 130.6 | 59% | 0.587 | 72% | 0.724 | S | S | * | * | | | | 96.7 | 164.9 | 126 | 78.7 | 0 | 0 | 0 | 0 | 122.5 | | |
| 651 | I | 27.5 | Very low | 28.5 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 70% | 0.703 | 73% | 0.734 | S | S | * | * | | | trans | 72.9 | 91.4 | 165.4 | -60.3 | 159.6 | 0 | 0 | 0 | 113.3 | | |
| 652 | I | 26.1 | Very low | 28.6 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | | | | 60.9 | 109.8 | 80.1 | -60.3 | 168.8 | 0 | 0 | 0 | 112.2 | | |
| 653 | H | 27.2 | Very low | 28.7 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 80% | 0.801 | 74% | 0.737 | S | S | * | * | | | | -168.4 | 109.6 | 119.7 | -107.4 | -66.9 | 0 | 0 | 0 | 112.6 | | |
| 654 | E | 37.7 | Very low | 29.1 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | | | trans | -73.6 | 156 | 139.3 | -129 | -169.5 | 110.7 | 0 | 0 | 107.5 | | |
| 655 | P | 32.4 | Very low | 29.4 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 58% | 0.578 | 74% | 0.744 | S | S | * | * | | | | -151.3 | -171.3 | 71.7 | 43 | -23.8 | 0 | 0 | 0 | 115.9 | | |
| 656 | E | 25.8 | Very low | 29.7 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | | | trans | 66.6 | 71.7 | 151.9 | -75.8 | 172.1 | 122.3 | 0 | 0 | 118.5 | | |
| 657 | N | 30.6 | Very low | 30 | Very low | 134 Ų | 134 | 141.1 Ų | 141.1 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | | | | -8.7 | 152.2 | 104.6 | -84.5 | -50.7 | 0 | 0 | 0 | 116.9 | | |
| 658 | P | 40.1 | Very low | 30.3 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 72% | 0.721 | 73% | 0.733 | S | S | * | * | | | cis | -137.7 | -118 | -13.6 | 35.4 | -9.4 | 0 | 0 | 0 | 112.4 | | |
| 659 | P | 45.2 | Very low | 30.2 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | | | trans | -95.2 | -176.3 | -158.7 | 1.7 | 26.9 | 0 | 0 | 0 | 112 | | |
| 660 | P | 28.4 | Very low | 30.5 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | | | cis | -148.5 | -174.3 | 35.1 | 44.2 | -22.5 | 0 | 0 | 0 | 118.9 | E662 | P660-E662 PolarHBondContact O-N 3.26Š|
| 661 | Y | 40.8 | Very low | 30.6 | Very low | 230 Ų | 230 | 142.1 Ų | 142.1 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | | | trans | -46.6 | 119.6 | 162.3 | -135.4 | -108.4 | 0 | 0 | 0 | 112.8 | | |
| 662 | E | 26.9 | Very low | 30.7 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | | | trans | -101 | 133.7 | 150.2 | -84.9 | -169.3 | -178 | 0 | 0 | 107.1 | P660 | P660-E662 PolarHBondContact O-N 3.26Š|
| 663 | E | 25.6 | Very low | 30.8 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | | | | 73.9 | 132.1 | 62.3 | -155.1 | 169.3 | -171.3 | 0 | 0 | 110.4 | | |
| 664 | A | 32.5 | Very low | 30.7 | Very low | 74 Ų | 74 | 133.8 Ų | 133.8 | 61% | 0.612 | 74% | 0.736 | S | S | * | * | | | cis | -136.8 | 141.6 | 27.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 665 | M | 28.3 | Very low | 30.2 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 95% | 0.951 | 74% | 0.743 | S | S | * | * | | | trans | -92 | 86.9 | 157.3 | -171.7 | -168.3 | -143.3 | 0 | 0 | 109.8 | | |
| 666 | S | 29.5 | Very low | 29.9 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | | | trans | -156.5 | 157.7 | 166.9 | 66.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 667 | V | 31 | Very low | 29.8 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 89% | 0.891 | 75% | 0.748 | S | S | * | * | S | Bend | cis | -74.2 | 127.6 | 10.8 | -175.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 668 | S | 28.1 | Very low | 29.6 | Very low | 87 Ų | 87 | 138.9 Ų | 138.9 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | | | cis | -166.2 | 147.8 | -11 | -93.7 | 0 | 0 | 0 | 0 | 111 | | |
| 669 | L | 24.8 | Very low | 29 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | | | trans | 78.3 | 125.8 | 150.6 | -148.5 | 90.4 | 0 | 0 | 0 | 120 | | |
| 670 | K | 28 | Very low | 28 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | | | | 115.7 | 96.5 | 123.6 | -146.7 | -178 | -159.9 | 173.8 | 0 | 120.8 | | |
| 671 | K | 27 | Very low | 27.9 | Very low | 189 Ų | 189 | 141.3 Ų | 141.3 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | | | trans | 68.2 | 157.1 | 140.4 | -73.6 | -163.5 | 165.7 | -161.2 | 0 | 118.3 | | |
| 672 | V | 28.1 | Very low | 27.8 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 72% | 0.715 | 72% | 0.721 | S | S | * | * | | | cis | -158.2 | 167.4 | 1.4 | 106.8 | 0 | 0 | 0 | 0 | 111 | | |
| 673 | S | 28.3 | Very low | 27.7 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | | | trans | 7.9 | 144.3 | 157.9 | -154.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 674 | G | 26.3 | Very low | 27.8 | Very low | 61 Ų | 61 | 134.2 Ų | 134.2 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | | | cis | 111.6 | 139.8 | 10.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 675 | I | 26.3 | Very low | 27.6 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 86% | 0.856 | 74% | 0.736 | S | S | * | * | | | trans | 83.7 | 140.9 | 175.2 | -50.4 | 169.6 | 0 | 0 | 0 | 116.8 | | |
| 676 | K | 25.6 | Very low | 27.5 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | | | trans | 98.9 | 112.3 | 152 | -124.7 | 172.2 | 174.8 | -67.3 | 0 | 121.8 | | |
| 677 | E | 25.4 | Very low | 27.4 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 70% | 0.696 | 74% | 0.739 | S | S | * | * | | | trans | 40.1 | 152.8 | 132.4 | -61.5 | 170.6 | 131.6 | 0 | 0 | 125.8 | | |
| 678 | E | 25.1 | Very low | 27.2 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | | | trans | 100.7 | 129.8 | 139.6 | -94.5 | -177.4 | 115.3 | 0 | 0 | 125 | | |
| 679 | I | 27.4 | Very low | 27.2 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 73% | 0.728 | 74% | 0.744 | S | S | * | * | | | trans | 93.7 | 115.4 | 141.9 | -63.3 | 159.8 | 0 | 0 | 0 | 124.5 | | |
| 680 | K | 25.2 | Very low | 27.3 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | | | trans | 50.8 | 150.4 | 143 | -75.7 | -150.1 | 173.7 | -148.6 | 0 | 128.6 | S698 I699 | K680-S698 PolarHBondContact NZ-O 3.36Å; K680-I699 PolarHBondContact NZ-O 3.23Å |
| 681 | E | 25.2 | Very low | 27.2 | Very low | 92 Ų | 92 | 138 Ų | 138 | 43% | 0.43 | 75% | 0.752 | S | S | . | * | | | trans | -62.8 | -173.4 | 167.9 | -87.3 | 176.8 | 125.1 | 0 | 0 | 119.9 | I697 S698 | E681-I697 VanDerWaalsContact CD-N 3.34Å; E681-I697 WeakPolarHBondContact OE1-CA 3.27Å; E681-I697 PolarHBondContact OE1-N 3.12Å; E681-S698 PolarHBondContact OE1-N 3.14Å; E681-S698 PolarHBondContact OE2-N 2.84Å |
| 682 | P | 38.9 | Very low | 27.1 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | | | cis | -141.6 | -173.5 | -17.7 | 32.5 | -9 | 0 | 0 | 0 | 117.9 | | |
| 683 | E | 25.3 | Very low | 27.1 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | | | trans | 72.9 | 118.2 | 146.1 | -89 | -175.1 | 174.6 | 0 | 0 | 125.7 | | |
| 684 | S | 26.8 | Very low | 27.3 | Very low | 124 Ų | 124 | 138 Ų | 138 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | | | | -179 | 177.8 | 129.1 | 46.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 685 | I | 28.3 | Very low | 28.1 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | trans | -122.3 | 147.9 | -149 | -10.8 | 173.7 | 0 | 0 | 0 | 117.6 | | |
| 686 | N | 26.4 | Very low | 28.2 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | | | trans | 101.4 | 118.3 | 147 | -68.7 | -42.9 | 0 | 0 | 0 | 122.5 | | |
| 687 | A | 27.1 | Very low | 28.7 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | | | trans | 78.3 | 84.4 | 134.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 688 | A | 26.9 | Very low | 28.9 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | | | trans | -148.7 | 172.4 | 149.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 689 | V | 28 | Very low | 29.4 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -85.2 | 148.2 | 179.5 | 177.6 | 0 | 0 | 0 | 0 | 111 | | |
| 690 | Q | 27 | Very low | 29.6 | Very low | 171 Ų | 171 | 132 Ų | 132 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | | | trans | 79 | 132.1 | -170.8 | -51.5 | 172.9 | 54.5 | 0 | 0 | 113.5 | | |
| 691 | E | 26.3 | Very low | 29.8 | Very low | 195 Ų | 195 | 130 Ų | 130 | 91% | 0.911 | 75% | 0.745 | S | S | * | * | | | trans | -130.9 | 121.8 | 157.5 | -71.4 | -165.9 | 178.9 | 0 | 0 | 110.3 | | |
| 692 | T | 25.8 | Very low | 30 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | | | trans | -102.2 | 135.2 | 172.7 | 43.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 693 | E | 26.8 | Very low | 29.6 | Very low | 198 Ų | 198 | 134 Ų | 134 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | | | trans | 69.6 | 174.4 | 166.3 | -56.3 | -173.8 | 101.8 | 0 | 0 | 117.2 | | |
| 694 | A | 32.4 | Very low | 30 | Very low | 91 Ų | 91 | 132.8 Ų | 132.8 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | trans | -144.4 | -165.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 695 | P | 43.4 | Very low | 30.3 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | | | cis | -135 | -170.8 | -15.4 | 43.2 | -25.7 | 0 | 0 | 0 | 114.6 | | |
| 696 | Y | 28.6 | Very low | 30.5 | Very low | 192 Ų | 192 | 133.4 Ų | 133.4 | 75% | 0.753 | 74% | 0.744 | S | S | * | * | | | trans | 67.1 | 133.9 | 163 | -98.2 | -106.7 | 0 | 0 | 0 | 119.8 | | |
| 697 | I | 36.3 | Very low | 30.7 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 64% | 0.641 | 74% | 0.738 | S | S | * | * | | | cis | 96.4 | 92.6 | 4.3 | -45.1 | 164.4 | 0 | 0 | 0 | 119.4 | E681 | E681-I697 VanDerWaalsContact CD-N 3.34Å; E681-I697 WeakPolarHBondContact OE1-CA 3.27Å; E681-I697 PolarHBondContact OE1-N 3.12Å |
| 698 | S | 29.7 | Very low | 30.8 | Very low | 56 Ų | 56 | 133.6 Ų | 133.6 | 39% | 0.392 | 73% | 0.728 | S | S | . | * | | | trans | -175.5 | 120 | 146.4 | -86.8 | 0 | 0 | 0 | 0 | 121.2 | K680 E681 | K680-S698 PolarHBondContact NZ-O 3.36Å; E681-S698 PolarHBondContact OE1-N 3.14Å; E681-S698 PolarHBondContact OE2-N 2.84Å |
| 699 | I | 35.5 | Very low | 30.7 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 72% | 0.723 | 73% | 0.732 | S | S | * | * | | | | 69.3 | 106.3 | 129.9 | -58.5 | 175.1 | 0 | 0 | 0 | 121.2 | K680 | K680-I699 PolarHBondContact NZ-O 3.23Š|
| 700 | A | 31.5 | Very low | 30.6 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | | 65.5 | 149.9 | 123.5 | 0 | 0 | 0 | 0 | 0 | 127.2 | | |
| 701 | C | 29.3 | Very low | 30.7 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 78% | 0.777 | 73% | 0.725 | S | S | * | * | | | trans | 92.6 | 123.7 | 148.1 | -80.4 | 0 | 0 | 0 | 0 | 124.4 | | |
| 702 | D | 30.5 | Very low | 30.9 | Very low | 131 Ų | 131 | 131 Ų | 131 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | | | trans | 86.1 | 114.8 | 130.4 | -76.9 | 21.8 | 0 | 0 | 0 | 126.1 | | |
| 703 | L | 29.5 | Very low | 32 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 78% | 0.78 | 72% | 0.717 | S | S | * | * | | | | 84.5 | 153.2 | 127.7 | -67.5 | 170.1 | 0 | 0 | 0 | 123.6 | | |
| 704 | I | 33.9 | Very low | 32.1 | Very low | 162 Ų | 162 | 126.3 Ų | 126.3 | 83% | 0.831 | 71% | 0.709 | S | S | * | * | | | trans | 78.6 | 143.6 | 163.2 | -40.6 | -173.5 | 0 | 0 | 0 | 117.7 | | |
| 705 | K | 33.3 | Very low | 32.6 | Very low | 163 Ų | 163 | 127.4 Ų | 127.4 | 71% | 0.709 | 71% | 0.708 | S | S | * | * | | | | -176.6 | 145.4 | -50.3 | -136.6 | -165.2 | 163.4 | -157.3 | 0 | 110.4 | | |
| 706 | E | 32.8 | Very low | 31.7 | Very low | 121 Ų | 121 | 128 Ų | 128 | 57% | 0.565 | 71% | 0.705 | S | S | * | * | | | trans | 65.8 | 156.6 | 157 | -71.6 | -169 | -136.4 | 0 | 0 | 118.4 | K708 | E706-K708 IonicContact OE2-NZ 2.69Å; E706-K708 PolarHBondContact OE2-NZ 2.64Å |
| 707 | T | 29.3 | Very low | 31.5 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 64% | 0.638 | 71% | 0.707 | S | S | * | * | | | cis | -168.6 | -144.6 | -17 | 37.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 708 | K | 29.1 | Very low | 31.1 | Very low | 148 Ų | 148 | 125.6 Ų | 125.6 | 64% | 0.643 | 71% | 0.705 | S | S | * | * | | | cis | -166.5 | 172 | 7.5 | -136.3 | 167 | -141.3 | 89.2 | 0 | 110.9 | E706 | E706-K708 IonicContact OE2-NZ 2.69Å; E706-K708 PolarHBondContact OE2-NZ 2.64Å |
| 709 | L | 25.7 | Very low | 31.1 | Very low | 164 Ų | 164 | 130.2 Ų | 130.2 | 86% | 0.859 | 73% | 0.726 | S | S | * | * | | | trans | 76 | 151.8 | 178.1 | -51.2 | 176 | 0 | 0 | 0 | 116.2 | | |
| 710 | S | 25.9 | Very low | 30.7 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | | | | 173 | 154.5 | -62.6 | -85.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 711 | A | 29.8 | Very low | 30.6 | Very low | 82 Ų | 82 | 134.7 Ų | 134.7 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | | | cis | -176.2 | 179.6 | -20.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 712 | E | 29.5 | Very low | 30.6 | Very low | 182 Ų | 182 | 136.3 Ų | 136.3 | 85% | 0.85 | 73% | 0.728 | S | S | * | * | | | trans | 76.6 | 150.8 | 147.8 | -166.6 | 167.3 | 160.8 | 0 | 0 | 118.8 | | |
| 713 | P | 49.8 | Very low | 30.3 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 60% | 0.604 | 73% | 0.729 | S | S | * | * | | | cis | -129.6 | 157.4 | -3.4 | 23.2 | 0.2 | 0 | 0 | 0 | 118.9 | | |
| 714 | T | 29.1 | Very low | 30.3 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | | | trans | 65.5 | 156.1 | 144.2 | 54.3 | 0 | 0 | 0 | 0 | 121 | | |
| 715 | P | 41.4 | Very low | 29.9 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | | | cis | -130.4 | 150.2 | 17.1 | 41.2 | -24.9 | 0 | 0 | 0 | 119.4 | | |
| 716 | D | 24.8 | Very low | 29.6 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | | | trans | 57.4 | 127.9 | 133.1 | -64.4 | 10.1 | 0 | 0 | 0 | 124.5 | | |
| 717 | F | 25.8 | Very low | 29.2 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | | | trans | 41.7 | 114.6 | 158.8 | -50.5 | -68.7 | 0 | 0 | 0 | 118.6 | | |
| 718 | S | 27.2 | Very low | 29.1 | Very low | 88 Ų | 88 | 140.6 Ų | 140.6 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | | | | 63.6 | 141.3 | 60.4 | 93.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 719 | D | 28.6 | Very low | 29.2 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | | | cis | -129.7 | -170.6 | 38.8 | -75 | -34.9 | 0 | 0 | 0 | 116.4 | | |
| 720 | Y | 28 | Very low | 29.3 | Very low | 223 Ų | 223 | 137.9 Ų | 137.9 | 88% | 0.875 | 76% | 0.758 | S | S | * | * | | | trans | -91.5 | 161.6 | -161.3 | -106.1 | -120.7 | 0 | 0 | 0 | 116 | | |
| 721 | S | 29.6 | Very low | 30.2 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | trans | -40.5 | 157.5 | 148.7 | -163.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 722 | E | 28.1 | Very low | 30 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | | | | -178.8 | 153.7 | 100.4 | -140.8 | -179.3 | 152.1 | 0 | 0 | 114.3 | | |
| 723 | M | 26.1 | Very low | 29.8 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 74% | 0.739 | 75% | 0.746 | S | S | * | * | | | trans | 31.2 | 138.3 | 153.6 | 68.3 | -170.9 | 149.7 | 0 | 0 | 123.1 | | |
| 724 | A | 29.3 | Very low | 28.8 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | | | trans | -95.4 | 136 | 151.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 725 | K | 25.3 | Very low | 28.7 | Very low | 193 Ų | 193 | 141.5 Ų | 141.5 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | | | trans | -178.2 | 122.4 | 142.2 | -105 | 163.6 | -177.5 | 178.6 | 0 | 115.2 | | |
| 726 | V | 26.9 | Very low | 28 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | | | | 73 | 135.3 | 125.4 | 172.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 727 | E | 24.1 | Very low | 28.2 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | | | trans | 81.1 | 141.1 | 157.1 | -88.9 | 168.7 | 150.4 | 0 | 0 | 123.7 | | |
| 728 | Q | 26.9 | Very low | 28.4 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | trans | -77.7 | 170.2 | 162.6 | -69.8 | -178.7 | -21 | 0 | 0 | 109.4 | | |
| 729 | P | 32.3 | Very low | 28.3 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | | | cis | -142.2 | 170.1 | 20.2 | 42.8 | -23.6 | 0 | 0 | 0 | 118.6 | | |
| 730 | V | 26.2 | Very low | 28.2 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | | | trans | -68.3 | 152.5 | 158.5 | 153.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 731 | P | 45.7 | Very low | 28.2 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | | | cis | -146.2 | 175.2 | 31.8 | 42 | -21.5 | 0 | 0 | 0 | 120.2 | | |
| 732 | D | 25.6 | Very low | 29 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | | | trans | 88.9 | 141.5 | 130.2 | -95.1 | -42.7 | 0 | 0 | 0 | 127.4 | | |
| 733 | H | 25.8 | Very low | 28.9 | Very low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | | | trans | 81.2 | 94.4 | 147.9 | -64.5 | 2.2 | 0 | 0 | 0 | 123 | | |
| 734 | S | 28.4 | Very low | 29.2 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | | 85.1 | 130.9 | 113.6 | 70 | 0 | 0 | 0 | 0 | 125.1 | | |
| 735 | E | 26 | Very low | 29.1 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | | | trans | 107.6 | 144 | 131.1 | -105.9 | -178.4 | -162.4 | 0 | 0 | 122.9 | | |
| 736 | L | 27.6 | Very low | 30.1 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 80% | 0.801 | 75% | 0.745 | S | S | * | * | | | trans | 74.5 | 134.6 | 170.6 | -61.1 | 139.9 | 0 | 0 | 0 | 118.7 | | |
| 737 | V | 29 | Very low | 30.3 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 65% | 0.648 | 74% | 0.744 | S | S | * | * | | | cis | -166.3 | 151.7 | -19.5 | 94.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 738 | E | 28.9 | Very low | 30.5 | Very low | 177 Ų | 177 | 130.7 Ų | 130.7 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | | | trans | 30.1 | 145.4 | 155.6 | -66.2 | 161.9 | 149.6 | 0 | 0 | 121.8 | | |
| 739 | D | 25.9 | Very low | 31 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | | | cis | -166.5 | 166.5 | -7 | -173.9 | 58.4 | 0 | 0 | 0 | 105.3 | | |
| 740 | S | 27.1 | Very low | 30.8 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | | | cis | -136.8 | 166.6 | 23.4 | -51.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 741 | S | 27.6 | Very low | 31.7 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | | | cis | 77.1 | 142.3 | 29.7 | -137.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 742 | P | 45.5 | Very low | 31.1 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | | | cis | -136.8 | 175.7 | 10.2 | 44.2 | -27.6 | 0 | 0 | 0 | 117.8 | | |
| 743 | D | 26.1 | Very low | 31.6 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | | | trans | 67.7 | 139.2 | 141.7 | -85.3 | -43.5 | 0 | 0 | 0 | 122.3 | | |
| 744 | S | 32.8 | Very low | 31.7 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | | | cis | -149.5 | 153.4 | -7.7 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 745 | E | 28 | Very low | 31.7 | Very low | 170 Ų | 170 | 137.2 Ų | 137.2 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | | | trans | -82.5 | 167.8 | 158.3 | -151.9 | -169.5 | -115 | 0 | 0 | 110.3 | | |
| 746 | P | 45.9 | Very low | 33.4 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | | -157.1 | 144.2 | 97.1 | 37.3 | -18 | 0 | 0 | 0 | 117.8 | | |
| 747 | V | 31 | Very low | 33.2 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 70% | 0.697 | 76% | 0.755 | S | S | * | * | | | trans | 66.5 | 132.7 | 139.6 | 175.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 748 | D | 28.4 | Very low | 33.5 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | cis | -152.9 | 170.6 | 48.4 | -150.1 | -8 | 0 | 0 | 0 | 115.1 | | |
| 749 | L | 36.9 | Very low | 34.3 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | trans | -100.1 | 117.3 | -179.7 | -76.3 | 160.1 | 0 | 0 | 0 | 112.8 | | |
| 750 | F | 28.8 | Very low | 34.5 | Very low | 203 Ų | 203 | 131.8 Ų | 131.8 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | | | trans | -146 | 164.9 | 156 | -86.4 | -68.1 | 0 | 0 | 0 | 112.9 | | |
| 751 | S | 43.8 | Very low | 34.4 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | -94.7 | 178.4 | -177.8 | -53.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 752 | D | 33.1 | Very low | 34.4 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | | | trans | 88.5 | 139.9 | 173.8 | -57.4 | -34.1 | 0 | 0 | 0 | 117.4 | | |
| 753 | D | 36.1 | Very low | 33.6 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | | | trans | 40 | 128.1 | 177.6 | -69.4 | -20.3 | 0 | 0 | 0 | 120.2 | | |
| 754 | S | 28.7 | Very low | 33.8 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | | | trans | -136 | 116.5 | -177.5 | -55.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 755 | I | 29 | Very low | 33.5 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | trans | -121.4 | -131.9 | 158.7 | -33.7 | 177.2 | 0 | 0 | 0 | 108.5 | | |
| 756 | P | 60.1 | Low | 33.4 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | | | | -94.5 | -168 | -118.1 | 38.9 | -22.2 | 0 | 0 | 0 | 113.9 | | |
| 757 | D | 24.1 | Very low | 32.4 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | | -160.3 | 178.4 | 112.7 | -128.8 | -39.3 | 0 | 0 | 0 | 114.6 | | |
| 758 | V | 36.3 | Very low | 32.1 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -145.4 | -166.7 | -166.6 | -104.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 759 | P | 45 | Very low | 32.2 | Very low | 109 Ų | 109 | 143 Ų | 143 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | | | cis | -141.6 | 178.4 | 6.5 | 42.2 | -22 | 0 | 0 | 0 | 119.1 | | |
| 760 | Q | 29.5 | Very low | 31.6 | Very low | 158 Ų | 158 | 145.2 Ų | 145.2 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | | | trans | 96 | 132.8 | 135.3 | -109.6 | -171.3 | 23.2 | 0 | 0 | 123.9 | | |
| 761 | K | 25.6 | Very low | 31.6 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | 70.6 | 161.7 | 155.9 | -61.6 | 179.8 | -176.4 | 179.2 | 0 | 119 | | |
| 762 | Q | 28.5 | Very low | 30.6 | Very low | 156 Ų | 156 | 145 Ų | 145 | 73% | 0.729 | 78% | 0.779 | S | S | * | * | | | | -171.8 | 154.6 | -54.4 | -126.7 | -171.2 | -71.7 | 0 | 0 | 108.5 | | |
| 763 | D | 28.8 | Very low | 30.5 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | 63.1 | 158.3 | 166.5 | -44.6 | -16.5 | 0 | 0 | 0 | 116.4 | | |
| 764 | E | 29.4 | Very low | 30.4 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | | | cis | 162.3 | 117.4 | -39.2 | 174.1 | 170.9 | -118.7 | 0 | 0 | 106.8 | | |
| 765 | A | 25.9 | Very low | 30.2 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | | | trans | -165.2 | 157.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 766 | V | 27.3 | Very low | 30 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | trans | -145.6 | 134.5 | -159 | 174.4 | 0 | 0 | 0 | 0 | 114 | | |
| 767 | M | 23.2 | Very low | 28.3 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 77% | 0.768 | 76% | 0.76 | S | S | * | * | | | trans | 55.1 | 133.6 | 155.9 | -67 | -85 | -78.5 | 0 | 0 | 122.7 | | |
| 768 | L | 25.7 | Very low | 28.4 | Very low | 155 Ų | 155 | 143 Ų | 143 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | | 178.8 | 131.3 | 109.7 | -96.2 | 169.4 | 0 | 0 | 0 | 116.2 | | |
| 769 | V | 30.6 | Very low | 28 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | | | trans | 16.3 | 129.9 | 147.7 | 175.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 770 | K | 24.9 | Very low | 26.9 | Very low | 198 Ų | 198 | 145.1 Ų | 145.1 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | | | | -162.2 | 176.1 | 124.9 | -149.9 | 155.5 | -177.1 | 176.4 | 0 | 113.3 | | |
| 771 | E | 27.3 | Very low | 26.6 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -116.1 | 173.9 | -162.7 | -51.4 | 161.6 | 104.4 | 0 | 0 | 116.1 | | |
| 772 | N | 24.3 | Very low | 26.8 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | 97.4 | 157.1 | 149.2 | -70 | -51.7 | 0 | 0 | 0 | 122.7 | | |
| 773 | L | 29.7 | Very low | 26.7 | Very low | 146 Ų | 146 | 146 Ų | 146 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | trans | -81.9 | 167.1 | -166.1 | -140.6 | 78.3 | 0 | 0 | 0 | 114.4 | | |
| 774 | P | 34.7 | Very low | 26.5 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | | -155.4 | -151.3 | 85.6 | 42.1 | -19.8 | 0 | 0 | 0 | 116.2 | | |
| 775 | E | 25.1 | Very low | 26.4 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | trans | -143.7 | 175.6 | -164.5 | -80.5 | -146.7 | 55.7 | 0 | 0 | 114.2 | | |
| 776 | T | 24.5 | Very low | 26.3 | Very low | 108 Ų | 108 | 148 Ų | 148 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | | | cis | -160.7 | -124.2 | -35.5 | 43.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 777 | S | 24.5 | Very low | 26.3 | Very low | 99 Ų | 99 | 150.5 Ų | 150.5 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | | | trans | 66.9 | 170.4 | -178.4 | 86.6 | 0 | 0 | 0 | 0 | 116.6 | | |
| 778 | F | 26.3 | Very low | 26.3 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | cis | -165.7 | 174.7 | -8.5 | -98.2 | -35.6 | 0 | 0 | 0 | 106.7 | | |
| 779 | E | 26.5 | Very low | 26.3 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | cis | -170.7 | -178.1 | -32 | -170.7 | 153.2 | 105 | 0 | 0 | 109.9 | | |
| 780 | S | 23.4 | Very low | 26 | Very low | 114 Ų | 114 | 151 Ų | 151 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | trans | 82.9 | 155.2 | 172 | 81.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 781 | M | 23.1 | Very low | 25.8 | Very low | 169 Ų | 169 | 147 Ų | 147 | 83% | 0.833 | 76% | 0.757 | S | S | * | * | | | cis | -151.6 | 160.9 | 16.5 | -165.2 | 171.4 | 178.5 | 0 | 0 | 115.1 | | |
| 782 | I | 28.7 | Very low | 25.7 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | | | trans | -35.9 | 144.4 | 175.7 | -62 | 152.9 | 0 | 0 | 0 | 119.9 | | |
| 783 | E | 26.8 | Very low | 25.9 | Very low | 194 Ų | 194 | 145 Ų | 145 | 91% | 0.907 | 76% | 0.762 | S | S | * | * | | | | -158.6 | 178.9 | 129.4 | -127.8 | -171.3 | 174.2 | 0 | 0 | 116 | | |
| 784 | H | 24.5 | Very low | 26.4 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | | | trans | -117.5 | 153.4 | -159.3 | -125.6 | -108 | 0 | 0 | 0 | 115.2 | | |
| 785 | E | 27.3 | Very low | 26.8 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | | | trans | 15 | 123.1 | 139.8 | -177.3 | -174.8 | -171.7 | 0 | 0 | 120.3 | | |
| 786 | N | 24.1 | Very low | 26.9 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | | | | -168.2 | -176.1 | 130 | -116.5 | -76.7 | 0 | 0 | 0 | 116.4 | | |
| 787 | K | 27.2 | Very low | 27.1 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | | | trans | -145.2 | 147.8 | -161.9 | -168.2 | -170.5 | 177.5 | -178.8 | 0 | 113 | | |
| 788 | E | 23.3 | Very low | 27.3 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 62% | 0.617 | 78% | 0.775 | S | S | * | * | | | trans | 88.9 | 120.8 | 153.6 | -155.1 | 167.6 | 146 | 0 | 0 | 122.2 | | |
| 789 | K | 24.4 | Very low | 27.5 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 70% | 0.696 | 78% | 0.78 | S | S | * | * | | | trans | 78.2 | 126.6 | 147.6 | -83.3 | 171.5 | -174.5 | 151.3 | 0 | 125.2 | | |
| 790 | L | 24.4 | Very low | 28.3 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | 63.6 | 113.6 | 132.9 | -67.2 | 166.5 | 0 | 0 | 0 | 121.8 | | |
| 791 | S | 21.8 | Very low | 28.4 | Very low | 116 Ų | 116 | 145 Ų | 145 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | | | | 171.4 | 141 | 98.3 | -72.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 792 | A | 25.9 | Very low | 28.7 | Very low | 89 Ų | 89 | 144.5 Ų | 144.5 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | trans | 40.3 | 107.6 | 146 | 0 | 0 | 0 | 0 | 0 | 124.5 | | |
| 793 | L | 26.9 | Very low | 28.7 | Very low | 172 Ų | 172 | 144.3 Ų | 144.3 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | | | | 63.9 | 164.6 | 118.4 | -73.5 | 171.3 | 0 | 0 | 0 | 121.8 | | |
| 794 | P | 41.7 | Very low | 28.8 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | trans | -113.4 | -160.1 | -148 | 49.2 | -40.2 | 0 | 0 | 0 | 112.3 | | |
| 795 | P | 41.8 | Very low | 28.9 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | | | cis | -144.2 | -168.2 | 9.3 | 37.8 | -13.1 | 0 | 0 | 0 | 118.5 | | |
| 796 | E | 27.2 | Very low | 28.9 | Very low | 194 Ų | 194 | 143.5 Ų | 143.5 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | | | trans | 105.3 | 135.5 | 136.2 | -159.8 | 155.9 | -150.3 | 0 | 0 | 119.7 | | |
| 797 | G | 28.9 | Very low | 28.9 | Very low | 76 Ų | 76 | 143.8 Ų | 143.8 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | trans | 107.4 | 126 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 798 | G | 29.8 | Very low | 28.6 | Very low | 81 Ų | 81 | 142 Ų | 142 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | | | trans | 99 | 118.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 799 | K | 30.5 | Very low | 28.9 | Very low | 204 Ų | 204 | 142.6 Ų | 142.6 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | | | trans | -119.5 | 179.2 | 159.6 | -53.2 | -176.8 | -176.8 | 178.2 | 0 | 106.8 | | |
| 800 | P | 43.1 | Very low | 29 | Very low | 97 Ų | 97 | 141.4 Ų | 141.4 | 63% | 0.63 | 79% | 0.785 | S | S | * | * | | | cis | -140.7 | -177.3 | 5.1 | 21.2 | 7 | 0 | 0 | 0 | 117.1 | | |
| 801 | Y | 25.1 | Very low | 28.9 | Very low | 218 Ų | 218 | 139.2 Ų | 139.2 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | | | trans | 108.1 | 147.3 | 154 | -66.9 | -70.1 | 0 | 0 | 0 | 120.7 | | |
| 802 | L | 28.8 | Very low | 28.9 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | | | trans | 76.8 | 153.2 | 175.1 | -74.9 | 171.1 | 0 | 0 | 0 | 121.5 | | |
| 803 | E | 28.8 | Very low | 29 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 63% | 0.631 | 78% | 0.778 | S | S | * | * | | | trans | 50.1 | 86.2 | 173.7 | -100.1 | 53.8 | -109.7 | 0 | 0 | 121.6 | | |
| 804 | S | 29.8 | Very low | 28.9 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | | 19.5 | 109.9 | 119.2 | -52.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 805 | F | 25.8 | Very low | 28.1 | Very low | 181 Ų | 181 | 144 Ų | 144 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | | | trans | -114.2 | 137.4 | 178.8 | -99.2 | -62.1 | 0 | 0 | 0 | 115.1 | | |
| 806 | K | 27.7 | Very low | 27.3 | Very low | 183 Ų | 183 | 145.4 Ų | 145.4 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | | | trans | 58.5 | 133.1 | 142.8 | -81.7 | 164.1 | 179.8 | 175.1 | 0 | 121.7 | | |
| 807 | L | 23.3 | Very low | 27.2 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | | | trans | -99.1 | 121.5 | 144.6 | -178.8 | 77.6 | 0 | 0 | 0 | 109.1 | | |
| 808 | N | 22.2 | Very low | 27.7 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | | | trans | -175.8 | 122.4 | 145.9 | -114.1 | -84.6 | 0 | 0 | 0 | 113.7 | | |
| 809 | L | 29.8 | Very low | 27.4 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | trans | 43.9 | 147.4 | 141.6 | -133.4 | 66.8 | 0 | 0 | 0 | 123.8 | | |
| 810 | D | 24.9 | Very low | 27.2 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | | | trans | 69.1 | 154.3 | 160.1 | -76.9 | -43.5 | 0 | 0 | 0 | 117.5 | | |
| 811 | N | 23.6 | Very low | 26.3 | Very low | 105 Ų | 105 | 146.4 Ų | 146.4 | 56% | 0.561 | 76% | 0.758 | S | S | * | * | | | cis | -157.5 | -179.5 | 5.8 | 36.4 | 92.2 | 0 | 0 | 0 | 110.4 | | |
| 812 | T | 21.3 | Very low | 26.3 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 90% | 0.896 | 75% | 0.751 | S | S | * | * | | | trans | -135.7 | 142.2 | 151 | -66.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 813 | K | 28.8 | Very low | 26.2 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 74% | 0.735 | 75% | 0.748 | S | S | * | * | | | trans | -122.3 | 158.8 | -168.4 | -66.2 | 177.3 | 179.5 | 173.8 | 0 | 113.2 | | |
| 814 | D | 23.8 | Very low | 26.1 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | | | trans | -164 | 171.9 | 140.9 | -105 | -22.2 | 0 | 0 | 0 | 108.7 | | |
| 815 | T | 25.7 | Very low | 25.9 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | | | cis | 177.8 | 139.9 | -42.6 | -91.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 816 | L | 24.6 | Very low | 26 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | | | cis | -166.3 | 117.3 | -24.4 | 170.5 | 128.1 | 0 | 0 | 0 | 107.2 | | |
| 817 | L | 25.1 | Very low | 26.2 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | | | trans | 58.9 | 174.3 | 166.6 | -73.6 | 170.2 | 0 | 0 | 0 | 117.2 | | |
| 818 | P | 40.3 | Very low | 26.4 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | | | cis | -121.4 | -161.6 | -3.5 | 47.8 | -33.9 | 0 | 0 | 0 | 111.6 | | |
| 819 | D | 22.9 | Very low | 26.6 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | | | cis | -157.1 | -179.5 | -5 | -139.5 | -39.8 | 0 | 0 | 0 | 111.7 | | |
| 820 | E | 25.6 | Very low | 26.9 | Very low | 163 Ų | 163 | 138 Ų | 138 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | | | trans | 54.8 | 126 | 153.1 | -82.2 | -157.1 | 96.2 | 0 | 0 | 123.7 | | |
| 821 | V | 25.1 | Very low | 27.8 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 67% | 0.673 | 73% | 0.728 | S | S | * | * | | | trans | 83 | 102.6 | 138.6 | 175.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 822 | S | 25.4 | Very low | 27.8 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | | | trans | 65.2 | 152.7 | 132.7 | -60.8 | 0 | 0 | 0 | 0 | 122.8 | | |
| 823 | T | 26.6 | Very low | 28 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 76% | 0.761 | 73% | 0.733 | S | S | * | * | | | cis | -171.2 | 170.6 | -24 | 36.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 824 | L | 26.2 | Very low | 27.8 | Very low | 149 Ų | 149 | 139 Ų | 139 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | | | trans | 103.8 | 71.7 | 135.7 | -150.7 | 114.2 | 0 | 0 | 0 | 122.5 | | |
| 825 | S | 25.7 | Very low | 28 | Very low | 93 Ų | 93 | 138.8 Ų | 138.8 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | | | | 75.3 | 154.5 | 124.7 | 86.6 | 0 | 0 | 0 | 0 | 124.2 | | |
| 826 | K | 28.3 | Very low | 28.2 | Very low | 183 Ų | 183 | 141 Ų | 141 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | | | trans | 76.4 | 104.6 | 145.2 | -84.1 | -179.8 | 177.1 | 174.9 | 0 | 121.6 | | |
| 827 | K | 30.2 | Very low | 28.4 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 67% | 0.67 | 73% | 0.732 | S | S | * | * | | | | 74.6 | 106.7 | 99.6 | -165.9 | 170.6 | -170 | 170.8 | 0 | 119 | | |
| 828 | E | 27.6 | Very low | 28.3 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 59% | 0.593 | 73% | 0.733 | S | S | * | * | | | | 35.6 | 116.8 | 124.3 | 174.3 | -133.3 | 125.9 | 0 | 0 | 117.6 | | |
| 829 | K | 28 | Very low | 27.7 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 77% | 0.774 | 74% | 0.738 | S | S | * | * | | | | -173.1 | 121.8 | 117 | -102.7 | 176.2 | -172.3 | -163.3 | 0 | 117.1 | | |
| 830 | I | 35.7 | Very low | 28 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | | | trans | -62.7 | 162.3 | 136.5 | 15.6 | 172.9 | 0 | 0 | 0 | 109 | | |
| 831 | P | 43.1 | Very low | 28.1 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 66% | 0.656 | 74% | 0.739 | S | S | * | * | | | cis | -149.3 | -162.8 | 39.7 | 31.5 | -4.2 | 0 | 0 | 0 | 116 | | |
| 832 | L | 24.2 | Very low | 28.4 | Very low | 144 Ų | 144 | 141 Ų | 141 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | | | trans | 78 | 152.9 | 161.3 | -52.1 | 173.6 | 0 | 0 | 0 | 117.6 | | |
| 833 | Q | 25.6 | Very low | 28.8 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | | | cis | -178.1 | 164.9 | -42.3 | -127.2 | -175.9 | -17.8 | 0 | 0 | 107.5 | | |
| 834 | M | 23.9 | Very low | 29 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 79% | 0.793 | 74% | 0.735 | S | S | * | * | | | trans | 84.4 | 145.4 | 156.2 | -153.8 | 148.7 | -116.8 | 0 | 0 | 119.8 | | |
| 835 | E | 28 | Very low | 29 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | | | trans | 33 | 110 | 171.1 | -96.6 | 79.8 | 121.7 | 0 | 0 | 123.1 | | |
| 836 | E | 31.1 | Very low | 29 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | | | | 25.9 | 142.1 | 120.6 | -81.6 | -157.5 | 121.3 | 0 | 0 | 125.2 | | |
| 837 | L | 27.8 | Very low | 29 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 72% | 0.723 | 74% | 0.736 | S | S | * | * | | | trans | 69.9 | 102.7 | 141.8 | -66.8 | 167.9 | 0 | 0 | 0 | 121.1 | | |
| 838 | S | 24.2 | Very low | 28.8 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | | | trans | -156.8 | 85.2 | 144.9 | -74.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 839 | T | 26.5 | Very low | 28.7 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | 37.8 | 110.4 | 134.3 | 57.3 | 0 | 0 | 0 | 0 | 122.9 | | |
| 840 | A | 29.5 | Very low | 28.8 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | | | | 91.4 | 172.7 | 103.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 841 | V | 27.7 | Very low | 28.5 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | | | trans | 87.1 | 97 | 174.8 | -170.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 842 | Y | 31.6 | Very low | 27.7 | Very low | 206 Ų | 206 | 143.2 Ų | 143.2 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | | | | 70.8 | 140.9 | 77.4 | -82 | -127.9 | 0 | 0 | 0 | 113 | | |
| 843 | S | 33.3 | Very low | 27.8 | Very low | 84 Ų | 84 | 141.3 Ų | 141.3 | 59% | 0.587 | 76% | 0.76 | S | S | * | * | | | cis | -168.6 | 177.2 | -1.4 | -86.7 | 0 | 0 | 0 | 0 | 111 | | |
| 844 | D | 30.2 | Very low | 27.8 | Very low | 125 Ų | 125 | 142 Ų | 142 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | | | cis | -175.7 | 173.6 | -39.9 | -80.9 | -32.8 | 0 | 0 | 0 | 109.5 | | |
| 845 | D | 27.8 | Very low | 28.1 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | | | trans | 70.7 | 152.9 | 157.3 | -68.4 | -22.7 | 0 | 0 | 0 | 125.5 | | |
| 846 | D | 25.5 | Very low | 28.1 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | 71.4 | 87.9 | 155.7 | -87.1 | 0.9 | 0 | 0 | 0 | 125.1 | | |
| 847 | L | 27.7 | Very low | 27.9 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | | | | 57.1 | 128.6 | 109 | -68.3 | -179.8 | 0 | 0 | 0 | 125.1 | | |
| 848 | F | 26.5 | Very low | 27.9 | Very low | 179 Ų | 179 | 140 Ų | 140 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | 88.4 | 139.1 | 137 | -77.4 | -48.6 | 0 | 0 | 0 | 125.5 | | |
| 849 | L | 25.1 | Very low | 28 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | | | trans | 82.3 | 111.7 | 143.4 | -80 | 165.3 | 0 | 0 | 0 | 123.9 | | |
| 850 | S | 30.4 | Very low | 28 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | | | trans | -169.7 | 116.8 | 138 | -77.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 851 | K | 28.1 | Very low | 27.7 | Very low | 174 Ų | 174 | 146.9 Ų | 146.9 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | | | | 59.2 | 146.6 | 87.3 | -82.6 | -172.7 | 168 | -79.7 | 0 | 115.7 | | |
| 852 | E | 27.1 | Very low | 27.5 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | cis | 168.9 | 132.6 | -21.1 | 167.5 | -176.5 | 148.8 | 0 | 0 | 107.6 | | |
| 853 | A | 26.7 | Very low | 27.1 | Very low | 103 Ų | 103 | 143 Ų | 143 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | | | trans | -166.2 | 141 | 161.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 854 | Q | 26.2 | Very low | 26.8 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | | | trans | -150.4 | 135.8 | 177.9 | -175.8 | -174 | 13.8 | 0 | 0 | 111.3 | | |
| 855 | V | 28.5 | Very low | 27.1 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | trans | -146.9 | 113.8 | 171.9 | -173 | 0 | 0 | 0 | 0 | 105.7 | | |
| 856 | R | 28.5 | Very low | 28.1 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | | 57.5 | 138.6 | 84.3 | -52.5 | -151.8 | -43.4 | 144.9 | 5.7 | 113.3 | | |
| 857 | E | 27.6 | Very low | 28.1 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 64% | 0.64 | 76% | 0.758 | S | S | * | * | | | cis | -156.6 | 179.4 | 2.8 | -130.8 | 157.3 | -164.4 | 0 | 0 | 113.2 | | |
| 858 | T | 27.8 | Very low | 28 | Very low | 118 Ų | 118 | 143 Ų | 143 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | | | trans | -62.6 | 160.3 | 179.4 | 51.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 859 | E | 26 | Very low | 28.2 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | | | trans | -157 | 175.2 | 130.5 | -120.5 | 168.5 | -168.2 | 0 | 0 | 113.1 | | |
| 860 | T | 25.7 | Very low | 28.6 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 64% | 0.644 | 76% | 0.756 | S | S | * | * | | | trans | -149.4 | 165.2 | -155 | 44 | 0 | 0 | 0 | 0 | 114.7 | | |
| 861 | F | 23.7 | Very low | 28.4 | Very low | 191 Ų | 191 | 141.8 Ų | 141.8 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | | | trans | 107.4 | 137.2 | 156.8 | -65.2 | -72.3 | 0 | 0 | 0 | 120.4 | | |
| 862 | S | 24.1 | Very low | 28.9 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | 52 | 128.7 | 151.9 | -61.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 863 | D | 23.4 | Very low | 29.1 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | cis | 92.2 | 146.6 | 30.8 | -168.3 | 28.1 | 0 | 0 | 0 | 114.3 | | |
| 864 | S | 25.4 | Very low | 29.5 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | | | trans | 72.9 | 100.4 | -178.7 | -60.7 | 0 | 0 | 0 | 0 | 119.1 | | |
| 865 | S | 38.3 | Very low | 29.5 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | -60.4 | 165.7 | 142.1 | -45.1 | 0 | 0 | 0 | 0 | 111 | | |
| 866 | P | 47 | Very low | 29.4 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | | -154.5 | -166.9 | 112.5 | 34.8 | -13.6 | 0 | 0 | 0 | 115.3 | | |
| 867 | I | 25.8 | Very low | 29.4 | Very low | 137 Ų | 137 | 137 Ų | 137 | 70% | 0.703 | 74% | 0.737 | S | S | * | * | | | trans | 91.9 | 97.2 | 167.1 | -53.5 | 166 | 0 | 0 | 0 | 113.4 | I869 | I867-I869 HydrophobicContact CG2-CG1 4.44Š|
| 868 | E | 25.8 | Very low | 29.4 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | | | cis | 93.5 | 166 | 35.5 | -165 | 178 | -126.5 | 0 | 0 | 112.7 | | |
| 869 | I | 31.8 | Very low | 29.5 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 67% | 0.672 | 73% | 0.734 | S | S | * | * | | | trans | 64.3 | 135.5 | 171.8 | 30.3 | 179.1 | 0 | 0 | 0 | 116.7 | I867 | I867-I869 HydrophobicContact CG2-CG1 4.44Š|
| 870 | I | 33.3 | Very low | 29.4 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | | | cis | -131.6 | 152.6 | 12.4 | -57.9 | 175.7 | 0 | 0 | 0 | 111.2 | | |
| 871 | D | 26.4 | Very low | 29.3 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | | | trans | -24.5 | 169.6 | 146.9 | -64.2 | -79 | 0 | 0 | 0 | 116.7 | | |
| 872 | E | 38.8 | Very low | 29.3 | Very low | 177 Ų | 177 | 132.4 Ų | 132.4 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | | | cis | -161.7 | 124.2 | 43.3 | -169.7 | 170 | -168.9 | 0 | 0 | 113.2 | | |
| 873 | F | 29.6 | Very low | 29.3 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 82% | 0.816 | 73% | 0.725 | S | S | * | * | | | trans | -84.7 | 160.2 | 159.8 | -73.2 | -92.7 | 0 | 0 | 0 | 109.5 | | |
| 874 | P | 35.7 | Very low | 29.3 | Very low | 111 Ų | 111 | 134 Ų | 134 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | | | | -136.1 | 140.8 | 102.1 | 26.6 | -9.6 | 0 | 0 | 0 | 113.8 | | |
| 875 | T | 25.4 | Very low | 29.2 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 68% | 0.681 | 73% | 0.729 | S | S | * | * | | | | 50.8 | 135.4 | 76.7 | 13.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 876 | L | 28 | Very low | 28.4 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | | | | -146 | 170.9 | 52.6 | -70.9 | 166.5 | 0 | 0 | 0 | 110.1 | | |
| 877 | I | 26.9 | Very low | 27.4 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 55% | 0.554 | 73% | 0.73 | S | S | * | * | | | cis | -137.2 | 139.4 | 27.8 | -63.9 | 166.5 | 0 | 0 | 0 | 111.2 | | |
| 878 | S | 28.3 | Very low | 27.3 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | | | trans | -111.2 | 147.4 | 160.6 | 68.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 879 | S | 29.3 | Very low | 27.1 | Very low | 78 Ų | 78 | 137.6 Ų | 137.6 | 55% | 0.545 | 73% | 0.729 | S | S | . | * | | | trans | -156.1 | 143 | 161.6 | 63.2 | 0 | 0 | 0 | 0 | 109.5 | S304 | S304-S879 PolarHBondContact OG-OG 3.31Š|
| 880 | K | 24 | Very low | 26.7 | Very low | 203 Ų | 203 | 137.5 Ų | 137.5 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | | | cis | -146.8 | 158.2 | 13.6 | -160.7 | 167.8 | -179 | 175.8 | 0 | 112.7 | | |
| 881 | T | 25.3 | Very low | 26.4 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 68% | 0.681 | 73% | 0.732 | S | S | * | * | | | trans | -79.9 | 167 | -172.1 | -4.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 882 | D | 23.3 | Very low | 26.4 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | | | trans | 71.5 | 149 | 146.7 | -66.6 | -33.1 | 0 | 0 | 0 | 119.9 | | |
| 883 | S | 22.9 | Very low | 25.6 | Very low | 82 Ų | 82 | 138 Ų | 138 | 57% | 0.573 | 72% | 0.724 | S | S | * | * | | | cis | -173.6 | 165.5 | -18.3 | 54.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 884 | F | 24.2 | Very low | 25.5 | Very low | 203 Ų | 203 | 135.3 Ų | 135.3 | 89% | 0.89 | 72% | 0.718 | S | S | * | * | | | trans | 61.2 | 164.2 | 171.8 | -73 | -84.4 | 0 | 0 | 0 | 116.3 | | |
| 885 | S | 23.4 | Very low | 25 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | | | cis | -146.2 | 134.7 | -12.6 | 45.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 886 | K | 21 | Very low | 24.9 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | | | trans | -3 | 113.7 | 134.2 | -176.6 | 176.8 | -176.8 | 174.1 | 0 | 118.2 | | |
| 887 | L | 25.8 | Very low | 24.9 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 70% | 0.702 | 72% | 0.721 | S | S | * | * | | | trans | 37.3 | 109.8 | 132.3 | -171.9 | 90.4 | 0 | 0 | 0 | 120 | | |
| 888 | A | 24.5 | Very low | 25.1 | Very low | 90 Ų | 90 | 138.5 Ų | 138.5 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | | | trans | -143.9 | 143.3 | 135.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 889 | R | 21.5 | Very low | 25.2 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 72% | 0.721 | 73% | 0.726 | S | S | * | * | | | cis | 60 | 140.9 | 39.8 | -115.5 | -160.1 | -87.8 | 159 | -6.1 | 111.5 | | |
| 890 | E | 24 | Very low | 25.4 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 61% | 0.607 | 73% | 0.726 | S | S | * | * | | | cis | -168.8 | 134.5 | 12.4 | -166.9 | 164.5 | 178.4 | 0 | 0 | 108.7 | | |
| 891 | Y | 25.8 | Very low | 25.5 | Very low | 224 Ų | 224 | 138.7 Ų | 138.7 | 88% | 0.878 | 72% | 0.718 | S | S | * | * | | | trans | -166.8 | 101 | 160.6 | -85 | -70.3 | 0 | 0 | 0 | 106.3 | | |
| 892 | T | 25.8 | Very low | 25.8 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | | | | 60.2 | 138.2 | 80.1 | 71.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 893 | D | 23.3 | Very low | 25.9 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | | | cis | -158.5 | -173.7 | 14.7 | -151.4 | -12.8 | 0 | 0 | 0 | 112.1 | | |
| 894 | L | 27.8 | Very low | 25.9 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 69% | 0.686 | 73% | 0.73 | S | S | * | * | | | trans | 82.6 | 91.5 | 159.1 | -102.7 | 67.3 | 0 | 0 | 0 | 120.3 | | |
| 895 | E | 23.6 | Very low | 26.4 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | | | | 64.3 | 115.5 | 118.2 | -71.2 | -154.3 | 101.6 | 0 | 0 | 123.8 | | |
| 896 | V | 24.9 | Very low | 26.9 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | | | | 85.4 | 143.8 | 122.8 | 173.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 897 | S | 27.1 | Very low | 27 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | | | trans | 82.7 | 129.5 | 173.4 | -152.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 898 | H | 30.8 | Very low | 27 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 70% | 0.704 | 73% | 0.731 | S | S | * | * | | | cis | -152.4 | 135.1 | 0.3 | -130.4 | -151.1 | 0 | 0 | 0 | 106.5 | | |
| 899 | K | 31.9 | Very low | 27 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | | | | 56.9 | 126.9 | 82.2 | -168.5 | -172.2 | -179 | 178 | 0 | 113.2 | | |
| 900 | S | 33.5 | Very low | 27.1 | Very low | 79 Ų | 79 | 125.2 Ų | 125.2 | 55% | 0.552 | 75% | 0.747 | S | S | * | * | | | cis | -165 | 176.9 | -6.5 | 55.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 901 | E | 26.1 | Very low | 27.1 | Very low | 151 Ų | 151 | 124.3 Ų | 124.3 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | | -142.9 | 147.9 | 70 | -166.2 | 140.5 | -154.4 | 0 | 0 | 111.7 | | |
| 902 | I | 29.8 | Very low | 27 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 64% | 0.641 | 76% | 0.756 | S | S | * | * | | | trans | -140.5 | 132 | -150.9 | -61 | 161.6 | 0 | 0 | 0 | 111.1 | N904 | I902-N904 WeakPolarHBondContact CG2-ND2 3.5Š|
| 903 | A | 26 | Very low | 26.9 | Very low | 105 Ų | 105 | 120.9 Ų | 120.9 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | | | trans | -137 | 118.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 904 | N | 24.1 | Very low | 27 | Very low | 144 Ų | 144 | 119.6 Ų | 119.6 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | | | trans | -95.1 | 160.5 | -179.2 | -90.4 | -67.5 | 0 | 0 | 0 | 112.3 | I902 | I902-N904 WeakPolarHBondContact CG2-ND2 3.5Š|
| 905 | A | 33.5 | Very low | 26.8 | Very low | 86 Ų | 86 | 118.8 Ų | 118.8 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | | | trans | -37.7 | 159.8 | 149.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 906 | P | 34.7 | Very low | 26.9 | Very low | 133 Ų | 133 | 118.5 Ų | 118.5 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | | -139.6 | -176.9 | 58.7 | 39.3 | -20 | 0 | 0 | 0 | 113.5 | | |
| 907 | G | 23.6 | Very low | 27 | Very low | 74 Ų | 74 | 119.5 Ų | 119.5 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | | | cis | -171.8 | 175.7 | 2.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 908 | G | 24.5 | Very low | 27.8 | Very low | 78 Ų | 78 | 118.9 Ų | 118.9 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | -88.1 | 158.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 909 | A | 25 | Very low | 27.8 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 92% | 0.917 | 76% | 0.757 | S | S | * | * | | | trans | 58.3 | 97.7 | 151 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 910 | A | 23.8 | Very low | 27.5 | Very low | 107 Ų | 107 | 117.5 Ų | 117.5 | 88% | 0.884 | 75% | 0.753 | S | S | * | * | | | trans | -143.3 | 144.7 | 146.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 911 | S | 24 | Very low | 27.3 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -88.5 | 151.1 | -163.9 | -46.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 912 | L | 23.1 | Very low | 27.4 | Very low | 172 Ų | 172 | 117.5 Ų | 117.5 | 90% | 0.901 | 76% | 0.758 | S | S | * | * | | | trans | 68.8 | 142.4 | 149.6 | -76.7 | 165 | 0 | 0 | 0 | 121.6 | | |
| 913 | A | 24.6 | Very low | 27.4 | Very low | 86 Ų | 86 | 118.9 Ų | 118.9 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | trans | 105.1 | 107.2 | 143.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 914 | C | 23.7 | Very low | 27.4 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | | | | 76.3 | 106.4 | 128.4 | -60.7 | 0 | 0 | 0 | 0 | 123.8 | | |
| 915 | T | 24.1 | Very low | 27.5 | Very low | 114 Ų | 114 | 121.1 Ų | 121.1 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | | 89.1 | 120.5 | 110.1 | -51.1 | 0 | 0 | 0 | 0 | 122.2 | | |
| 916 | E | 25.8 | Very low | 27.2 | Very low | 158 Ų | 158 | 123.1 Ų | 123.1 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | trans | 82.3 | 115.6 | 144.9 | -84.1 | -175.7 | 111.5 | 0 | 0 | 126.6 | | |
| 917 | L | 28.2 | Very low | 26.7 | Very low | 145 Ų | 145 | 124.7 Ų | 124.7 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | | | | 78.7 | 173.1 | 119.2 | -119.1 | 74.1 | 0 | 0 | 0 | 119.4 | | |
| 918 | P | 42.8 | Very low | 27.3 | Very low | 87 Ų | 87 | 126.3 Ų | 126.3 | 57% | 0.565 | 75% | 0.751 | S | S | * | * | | | | -143.5 | -165.1 | -84 | 46.7 | -30.7 | 0 | 0 | 0 | 118.8 | | |
| 919 | H | 30.2 | Very low | 27.3 | Very low | 166 Ų | 166 | 129.8 Ų | 129.8 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | | | trans | 81.1 | 146 | 146.7 | -78.2 | -39 | 0 | 0 | 0 | 120.2 | | |
| 920 | D | 26.9 | Very low | 27.5 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | | | cis | -168.4 | 175.1 | -8.8 | -147.8 | -16.5 | 0 | 0 | 0 | 114.4 | | |
| 921 | L | 29.6 | Very low | 27.6 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | | | trans | 68.2 | 152 | 155.4 | -62.8 | 167.5 | 0 | 0 | 0 | 121.3 | | |
| 922 | S | 27 | Very low | 27.7 | Very low | 82 Ų | 82 | 133.9 Ų | 133.9 | 57% | 0.573 | 72% | 0.723 | S | S | * | * | | | cis | -176 | 141.6 | -19.7 | 65.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 923 | L | 29.6 | Very low | 27.8 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 80% | 0.801 | 71% | 0.709 | S | S | * | * | | | trans | 64 | 163.3 | 142.5 | -59.3 | 166.2 | 0 | 0 | 0 | 120.2 | | |
| 924 | K | 27.6 | Very low | 27.9 | Very low | 165 Ų | 165 | 135 Ų | 135 | 72% | 0.717 | 71% | 0.71 | S | S | * | * | | | cis | -167.8 | 168.7 | -13 | -126.1 | -178.5 | 174 | -178.6 | 0 | 114.4 | | |
| 925 | N | 25.1 | Very low | 27.8 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | | | trans | 70.4 | 156.9 | 148.1 | -76.6 | 14.4 | 0 | 0 | 0 | 120.7 | | |
| 926 | V | 28.3 | Very low | 27.7 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | | | cis | -163 | 167.5 | -12.9 | 126.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 927 | Q | 23.7 | Very low | 27.7 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 77% | 0.771 | 71% | 0.711 | S | S | * | * | | | trans | -65.1 | -170.1 | 174.1 | -111.5 | -164.3 | 55.8 | 0 | 0 | 116.4 | | |
| 928 | P | 36.5 | Very low | 27.4 | Very low | 108 Ų | 108 | 136 Ų | 136 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | | | cis | -140.8 | 159 | 9.7 | 40.5 | -20.1 | 0 | 0 | 0 | 121 | | |
| 929 | K | 24.7 | Very low | 26.6 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 66% | 0.661 | 72% | 0.721 | S | S | * | * | | | trans | 19.9 | 143.8 | 135.3 | -150.7 | 175.1 | -158.7 | -130.3 | 0 | 124.7 | E931 | K929-E931 WeakPolarHBondContact CE-OE1 3.44Å; K929-E931 WeakPolarHBondContact CE-OE2 3.39Å; K929-E931 VanDerWaalsContact CG-OE1 3.26Å; K929-E931 WeakPolarHBondContact CG-OE1 3.47Å; K929-E931 IonicContact NZ-OE1 3.55Å; K929-E931 IonicContact NZ-OE2 3.58Å; K929-E931 PolarHBondContact NZ-OE2 2.83Å |
| 930 | V | 27.6 | Very low | 26.2 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 84% | 0.842 | 72% | 0.722 | S | S | * | * | | | trans | 156.8 | 148 | 143 | 149.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 931 | E | 25.5 | Very low | 26 | Very low | 123 Ų | 123 | 138 Ų | 138 | 58% | 0.575 | 73% | 0.726 | S | S | * | * | | | cis | -159.9 | -43.2 | -43.2 | -144.7 | 78.8 | -48.1 | 0 | 0 | 116.9 | K929 | K929-E931 WeakPolarHBondContact CE-OE1 3.44Å; K929-E931 WeakPolarHBondContact CE-OE2 3.39Å; K929-E931 VanDerWaalsContact CG-OE1 3.26Å; K929-E931 WeakPolarHBondContact CG-OE1 3.47Å; K929-E931 IonicContact NZ-OE1 3.55Å; K929-E931 IonicContact NZ-OE2 3.58Å; K929-E931 PolarHBondContact NZ-OE2 2.83Å |
| 932 | E | 26.3 | Very low | 25.8 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 71% | 0.71 | 72% | 0.723 | S | S | * | * | | | trans | -149.1 | 158.1 | -162.1 | -129.6 | -155.8 | 160.7 | 0 | 0 | 121 | | |
| 933 | K | 26.7 | Very low | 25.5 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 62% | 0.617 | 74% | 0.736 | S | S | * | * | | | trans | 79.4 | 118.8 | 144.9 | -91.6 | -175.2 | 177.6 | 73.7 | 0 | 126.8 | | |
| 934 | I | 25.5 | Very low | 25.4 | Very low | 140 Ų | 140 | 139 Ų | 139 | 72% | 0.718 | 74% | 0.737 | S | S | * | * | | | | 75 | 145.6 | 121.6 | -76.4 | 176 | 0 | 0 | 0 | 124.1 | | |
| 935 | S | 22.1 | Very low | 25.1 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | | | trans | 97.1 | 115.9 | 149.4 | 58.6 | 0 | 0 | 0 | 0 | 123.5 | | |
| 936 | F | 22.8 | Very low | 25.2 | Very low | 207 Ų | 207 | 134.4 Ų | 134.4 | 91% | 0.908 | 74% | 0.741 | S | S | * | * | | | | 50.4 | 147.4 | 129.1 | -75.4 | -87.7 | 0 | 0 | 0 | 124.2 | | |
| 937 | S | 24.4 | Very low | 25 | Very low | 96 Ų | 96 | 135 Ų | 135 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | | | trans | -59.1 | 159.4 | 159.8 | -42.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 938 | D | 23.7 | Very low | 25 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | | -171.9 | 161.6 | 103.3 | -105 | -18.6 | 0 | 0 | 0 | 116.3 | | |
| 939 | D | 24.1 | Very low | 24.6 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | trans | 47.5 | 116.3 | 152.5 | -90.7 | -7.1 | 0 | 0 | 0 | 124.8 | | |
| 940 | F | 22.8 | Very low | 24.6 | Very low | 180 Ų | 180 | 135 Ų | 135 | 79% | 0.789 | 76% | 0.756 | S | S | * | * | | | | 46.5 | 122.4 | 105.9 | -99.7 | -109 | 0 | 0 | 0 | 121.6 | | |
| 941 | S | 22.8 | Very low | 24.3 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | | | | 78.5 | 168.2 | 127.9 | 104.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 942 | K | 24.6 | Very low | 24.3 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 73% | 0.726 | 76% | 0.763 | S | S | * | * | | | cis | -177.7 | 129.1 | -27.8 | 163.9 | 178.9 | -179.5 | 178.9 | 0 | 110.2 | | |
| 943 | N | 21.6 | Very low | 24.2 | Very low | 157 Ų | 157 | 137 Ų | 137 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | | | trans | 62.5 | 149.2 | 164.8 | -59.8 | -0.1 | 0 | 0 | 0 | 118.2 | | |
| 944 | G | 26.5 | Very low | 25 | Very low | 81 Ų | 81 | 135.5 Ų | 135.5 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | -175 | 86.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 945 | S | 23 | Very low | 25.5 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -52.5 | 134 | -173.8 | 52.7 | 0 | 0 | 0 | 0 | 118.8 | | |
| 946 | A | 25.5 | Very low | 25.6 | Very low | 85 Ų | 85 | 136 Ų | 136 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | | | trans | 40 | 135.9 | 133.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 947 | T | 24.6 | Very low | 25.7 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | | | | 179.4 | 125.3 | 108 | 28.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 948 | S | 24.5 | Very low | 25.8 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | 29.1 | 123.7 | 142.9 | -163.9 | 0 | 0 | 0 | 0 | 123.5 | | |
| 949 | K | 27.8 | Very low | 25.9 | Very low | 187 Ų | 187 | 129.7 Ų | 129.7 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | | 175.8 | 133.9 | 112.9 | -97.5 | 163.8 | -175 | 170.6 | 0 | 116.4 | | |
| 950 | V | 25 | Very low | 25.7 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | | | | 46.9 | 136.2 | 127.6 | 174.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 951 | L | 21.3 | Very low | 25.7 | Very low | 140 Ų | 140 | 127.1 Ų | 127.1 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | | | cis | 179.6 | 139.4 | -9.7 | 172.6 | 82.2 | 0 | 0 | 0 | 108.8 | | |
| 952 | L | 24.2 | Very low | 25.7 | Very low | 159 Ų | 159 | 128.2 Ų | 128.2 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | | | trans | 162.3 | 164.2 | 134.8 | -87.1 | 170.9 | 0 | 0 | 0 | 113.9 | | |
| 953 | L | 25.1 | Very low | 25.7 | Very low | 157 Ų | 157 | 129 Ų | 129 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | -147.5 | 174.3 | -165.2 | -84 | 164.4 | 0 | 0 | 0 | 110.8 | | |
| 954 | P | 43.7 | Very low | 25.8 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | | | cis | -114.5 | -102.9 | -25.3 | 30.7 | -9.2 | 0 | 0 | 0 | 109 | | |
| 955 | P | 36.5 | Very low | 25.6 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | | | cis | -122.1 | 169.4 | -12.8 | 43.5 | -28.6 | 0 | 0 | 0 | 115.8 | | |
| 956 | D | 22.4 | Very low | 25.9 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | 45.5 | 139.2 | 138.6 | -68 | 10.7 | 0 | 0 | 0 | 123.5 | | |
| 957 | V | 26.7 | Very low | 25.9 | Very low | 120 Ų | 120 | 132 Ų | 132 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | cis | -160.1 | 143.8 | -10.3 | 105.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 958 | S | 25.2 | Very low | 26.1 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | 39.9 | 144.2 | 150.2 | -52.8 | 0 | 0 | 0 | 0 | 126.5 | | |
| 959 | A | 25.3 | Very low | 26.2 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | 90.4 | 151.9 | 135.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 960 | L | 21.2 | Very low | 26.1 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | | | cis | -174.9 | 156.7 | -28.3 | -177 | 57.3 | 0 | 0 | 0 | 108.3 | | |
| 961 | T | 22.3 | Very low | 26.3 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | | | trans | 54.8 | 109.6 | 160.6 | 39.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 962 | T | 23.5 | Very low | 27.4 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | | | | 20 | 136.4 | 113.2 | -19.2 | 0 | 0 | 0 | 0 | 121.8 | | |
| 963 | Q | 23.6 | Very low | 27.5 | Very low | 185 Ų | 185 | 132.9 Ų | 132.9 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | 92.1 | 132.7 | 138.5 | -120.4 | -173.5 | 0.3 | 0 | 0 | 123.2 | | |
| 964 | A | 24.3 | Very low | 27.5 | Very low | 80 Ų | 80 | 131 Ų | 131 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | | | trans | 69.4 | 105.4 | 140.8 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 965 | E | 22.8 | Very low | 26.8 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | | | | 82 | 155.7 | 118.4 | -149.7 | 175.3 | 152.2 | 0 | 0 | 122.4 | | |
| 966 | I | 27.7 | Very low | 26.3 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | | | trans | 96.5 | 123.7 | 168.9 | -52.9 | 173.3 | 0 | 0 | 0 | 116.1 | | |
| 967 | G | 26.3 | Very low | 26.8 | Very low | 74 Ų | 74 | 134.8 Ų | 134.8 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | | | trans | -119.4 | -169.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 968 | G | 28.1 | Very low | 26.9 | Very low | 75 Ų | 75 | 136.3 Ų | 136.3 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | cis | -128 | -139.4 | 0.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 969 | I | 27 | Very low | 27.1 | Very low | 165 Ų | 165 | 135 Ų | 135 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | cis | -153.1 | 166.4 | 14 | -56.3 | 176.4 | 0 | 0 | 0 | 108.8 | | |
| 970 | V | 26.3 | Very low | 27.4 | Very low | 140 Ų | 140 | 138 Ų | 138 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | | | trans | 101.7 | 152.4 | 166 | -169.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 971 | K | 29 | Very low | 27.8 | Very low | 192 Ų | 192 | 138.2 Ų | 138.2 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | | | trans | -121.1 | -161.9 | -165.3 | -52.3 | -177.5 | 177 | -179.9 | 0 | 113.3 | | |
| 972 | P | 44.3 | Very low | 27.9 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | | | | -135 | -161.1 | -106.1 | 43.4 | -22.3 | 0 | 0 | 0 | 116.3 | | |
| 973 | K | 27.3 | Very low | 28.4 | Very low | 190 Ų | 190 | 141.8 Ų | 141.8 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | | | trans | 129.9 | 140.1 | 133.8 | -150.6 | -156.6 | 169 | 75.2 | 0 | 118.7 | | |
| 974 | V | 24.4 | Very low | 29 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | | | trans | 72.4 | 136.5 | 160.5 | -154.9 | 0 | 0 | 0 | 0 | 122.6 | | |
| 975 | L | 28.2 | Very low | 29.1 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 89% | 0.885 | 76% | 0.759 | S | S | * | * | | | trans | -155.6 | 156.6 | 140.9 | -156.7 | 131.5 | 0 | 0 | 0 | 112.2 | | |
| 976 | M | 27.1 | Very low | 29.2 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | | | trans | -164.3 | 168 | -177.4 | -164.2 | -170.1 | 172.4 | 0 | 0 | 113.5 | | |
| 977 | K | 31.6 | Very low | 29.3 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 55% | 0.548 | 76% | 0.757 | S | S | . | * | | | trans | 81.2 | 158.8 | 165.6 | -45.9 | -166.2 | 84.9 | -152.8 | 0 | 116.6 | | |
| 978 | E | 30.2 | Very low | 29.9 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 71% | 0.71 | 76% | 0.762 | S | S | * | * | | | cis | -162.6 | -177.5 | 4.8 | -133.4 | 161.6 | 157.5 | 0 | 0 | 109.7 | | |
| 979 | A | 29.7 | Very low | 30.1 | Very low | 80 Ų | 80 | 147.1 Ų | 147.1 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | | | cis | -164.3 | 170.7 | 3.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 980 | E | 30.8 | Very low | 30.7 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | 71.6 | 119.8 | 144.1 | -110 | -163.6 | 107.1 | 0 | 0 | 126.9 | | |
| 981 | K | 28.4 | Very low | 30.9 | Very low | 154 Ų | 154 | 149.5 Ų | 149.5 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | | | | 113.8 | 109.9 | 116.5 | -152.8 | -174.8 | -154.1 | 103.5 | 0 | 124.3 | | |
| 982 | N | 25.7 | Very low | 31.3 | Very low | 151 Ų | 151 | 151 Ų | 151 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | | | trans | 75.4 | 153.7 | 146 | -66.3 | 11.2 | 0 | 0 | 0 | 125 | | |
| 983 | L | 33.4 | Very low | 30.9 | Very low | 157 Ų | 157 | 150 Ų | 150 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | trans | -149.6 | 156.4 | -179 | -158.1 | 88.4 | 0 | 0 | 0 | 110.7 | | |
| 984 | P | 37.3 | Very low | 31.5 | Very low | 110 Ų | 110 | 145.8 Ų | 145.8 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | | | | -133.7 | 162.4 | 90.8 | 13.4 | 11.1 | 0 | 0 | 0 | 113.4 | | |
| 985 | S | 24.9 | Very low | 32.3 | Very low | 84 Ų | 84 | 144.4 Ų | 144.4 | 59% | 0.587 | 76% | 0.755 | S | S | * | * | | | | 64.2 | 133.8 | 67.8 | 128.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 986 | D | 26.1 | Very low | 33.1 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | | | cis | -151.7 | 161 | 0.3 | -78.4 | -49.9 | 0 | 0 | 0 | 112.1 | | |
| 987 | T | 29.9 | Very low | 34.1 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 89% | 0.89 | 74% | 0.744 | S | S | * | * | | | | -175.2 | 131.3 | 129 | 13.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 988 | E | 39.2 | Very low | 34.6 | Very low | 186 Ų | 186 | 139.5 Ų | 139.5 | 87% | 0.869 | 74% | 0.743 | S | S | * | * | | | trans | -79.1 | 150.3 | 171.4 | -59.8 | 169.3 | 107.3 | 0 | 0 | 112 | | |
| 989 | K | 30.7 | Very low | 35.4 | Very low | 206 Ų | 206 | 136.1 Ų | 136.1 | 90% | 0.896 | 74% | 0.736 | S | S | * | * | | | trans | -146.4 | 142.4 | 130.6 | -72.6 | -153.1 | 174.9 | -169.1 | 0 | 110 | | |
| 990 | E | 41.1 | Very low | 36 | Very low | 195 Ų | 195 | 135.1 Ų | 135.1 | 91% | 0.911 | 73% | 0.728 | S | S | * | * | | | trans | -64 | 155.7 | 166.8 | -59.6 | 174 | 99.7 | 0 | 0 | 111 | | |
| 991 | D | 29.8 | Very low | 36.8 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 86% | 0.861 | 72% | 0.719 | S | S | * | * | | | trans | -139.4 | 157.9 | 148.5 | -148.3 | -18.3 | 0 | 0 | 0 | 110.7 | | |
| 992 | R | 36.3 | Very low | 37.9 | Very low | 223 Ų | 223 | 131.1 Ų | 131.1 | 84% | 0.842 | 72% | 0.715 | S | S | * | * | | | trans | -110.1 | 116 | -151 | -174.4 | -177.8 | -175.1 | 89.5 | -2.7 | 112.1 | P994 | R992-P994 VanDerWaalsContact O-CD 3.32Å; R992-P994 WeakPolarHBondContact O-CD 3.33Å |
| 993 | S | 36 | Very low | 39.4 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | | | trans | -52.5 | 117 | -176.5 | -55.2 | 0 | 0 | 0 | 0 | 114.6 | S995 | S993-S995 PolarHBondContact O-N 3.34Š|
| 994 | P | 40.5 | Very low | 40.8 | Very low | 101 Ų | 101 | 126.8 Ų | 126.8 | 66% | 0.656 | 69% | 0.689 | S | S | * | * | | | trans | -95.5 | 56.6 | 178.9 | 37.7 | -34.2 | 0 | 0 | 0 | 112 | R992 F998 | R992-P994 VanDerWaalsContact O-CD 3.32Å; R992-P994 WeakPolarHBondContact O-CD 3.33Å; P994-F998 WeakPolarHBondContact O-CD2 3.1Å |
| 995 | S | 41.2 | Very low | 42 | Very low | 89 Ų | 89 | 124.8 Ų | 124.8 | 62% | 0.622 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -15.1 | -169 | 48.7 | 0 | 0 | 0 | 0 | 116.3 | S993 S999 | S993-S995 PolarHBondContact O-N 3.34Å; S995-S999 PolarHBondContact O-OG 3.11Å |
| 996 | A | 44.8 | Very low | 44.1 | Very low | 81 Ų | 81 | 124.1 Ų | 124.1 | 67% | 0.669 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -41 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 997 | I | 47.4 | Very low | 46.3 | Very low | 129 Ų | 129 | 121.8 Ų | 121.8 | 66% | 0.662 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -46.3 | -169.8 | -60.1 | 176.7 | 0 | 0 | 0 | 111.4 | S999 A1000 | I997-S999 PolarHBondContact O-N 3.46Å; I997-A1000 PolarHBondContact O-N 3.4Å |
| 998 | F | 43.4 | Very low | 48.5 | Very low | 123 Ų | 123 | 118.4 Ų | 118.4 | 54% | 0.539 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -58.3 | -26.3 | -178.9 | -72 | -71.4 | 0 | 0 | 0 | 113.7 | P994 A1000 E1001 L1002 | P994-F998 WeakPolarHBondContact O-CD2 3.1Å; F998-A1000 VanDerWaalsContact C-N 3.29Å; F998-A1000 PolarHBondContact O-N 3.38Å; F998-E1001 PolarHBondContact O-N 3.33Å; F998-L1002 VanDerWaalsContact O-CB 3.25Å; F998-L1002 WeakPolarHBondContact O-CB 3.41Å; F998-L1002 PolarHBondContact O-N 3.34Å |
| 999 | S | 46.6 | Very low | 50.2 | Low | 81 Ų | 81 | 111.5 Ų | 111.5 | 57% | 0.566 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.3 | -27 | 178.1 | -59.9 | 0 | 0 | 0 | 0 | 113.4 | S995 I997 S1003 | S995-S999 PolarHBondContact O-OG 3.11Å; I997-S999 PolarHBondContact O-N 3.46Å; S999-S1003 PolarHBondContact O-N 2.91Å; S999-S1003 PolarHBondContact O-OG 3.17Å |
| 1000 | A | 43.4 | Very low | 52.3 | Low | 59 Ų | 59 | 103.3 Ų | 103.3 | 49% | 0.488 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -90.4 | -20.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I997 F998 S1003 | I997-A1000 PolarHBondContact O-N 3.4Å; F998-A1000 VanDerWaalsContact C-N 3.29Å; F998-A1000 PolarHBondContact O-N 3.38Å; A1000-S1003 PolarHBondContact O-OG 2.92Å; A1000-S1003 VanDerWaalsContact O-OG 3.13Å |
| 1001 | E | 46.1 | Very low | 54.1 | Low | 120 Ų | 120 | 95.8 Ų | 95.8 | 56% | 0.561 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -87.7 | -42.2 | 171.8 | -65.9 | -168.4 | 128.5 | 0 | 0 | 111.4 | F998 S1003 K1004 T1005 | F998-E1001 PolarHBondContact O-N 3.33Å; E1001-S1003 PolarHBondContact O-N 3.37Å; E1001-K1004 PolarHBondContact O-N 3.39Å; E1001-K1004 VanDerWaalsContact O-N 3.09Å; E1001-T1005 PolarHBondContact O-N 2.95Å |
| 1002 | L | 52.9 | Low | 56.4 | Low | 110 Ų | 110 | 92.8 Ų | 92.8 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.4 | -30.5 | 173.5 | -87.6 | 167.5 | 0 | 0 | 0 | 112.8 | F998 T1005 S1006 | F998-L1002 VanDerWaalsContact O-CB 3.25Å; F998-L1002 WeakPolarHBondContact O-CB 3.41Å; F998-L1002 PolarHBondContact O-N 3.34Å; L1002-T1005 PolarHBondContact O-OG1 2.89Å; L1002-S1006 WeakPolarHBondContact O-CA 3.49Å; L1002-S1006 WeakPolarHBondContact O-CB 3.23Å; L1002-S1006 PolarHBondContact O-N 3.43Å |
| 1003 | S | 56.9 | Low | 58.5 | Low | 60 Ų | 60 | 85.9 Ų | 85.9 | 42% | 0.42 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69 | -38.8 | 174.1 | 61.9 | 0 | 0 | 0 | 0 | 111.8 | S999 A1000 E1001 V1007 | S999-S1003 PolarHBondContact O-N 2.91Å; S999-S1003 PolarHBondContact O-OG 3.17Å; A1000-S1003 PolarHBondContact O-OG 2.92Å; A1000-S1003 VanDerWaalsContact O-OG 3.13Å; E1001-S1003 PolarHBondContact O-N 3.37Å; S1003-V1007 VanDerWaalsContact O-CB 3.31Å; S1003-V1007 WeakPolarHBondContact O-CB 3.35Å; S1003-V1007 WeakPolarHBondContact O-CG2 3.3Å; S1003-V1007 PolarHBondContact O-N 2.84Å |
| 1004 | K | 62.6 | Low | 60.5 | Low | 156 Ų | 156 | 89.7 Ų | 89.7 | 68% | 0.678 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.3 | -48.3 | 174.2 | -72.3 | 179.3 | 179.5 | 177.1 | 0 | 112 | E1001 V1008 | E1001-K1004 PolarHBondContact O-N 3.39Å; E1001-K1004 VanDerWaalsContact O-N 3.09Å; K1004-V1008 WeakPolarHBondContact O-CG2 3.45Å; K1004-V1008 PolarHBondContact O-N 2.88Å |
| 1005 | T | 63.2 | Low | 62.4 | Low | 68 Ų | 68 | 89.9 Ų | 89.9 | 42% | 0.417 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 177.5 | 63.1 | 0 | 0 | 0 | 0 | 110.6 | E1001 L1002 V1007 V1008 D1009 | E1001-T1005 PolarHBondContact O-N 2.95Å; L1002-T1005 PolarHBondContact O-OG1 2.89Å; T1005-V1007 PolarHBondContact O-N 3.23Å; T1005-V1008 CarbonylContact O-C 3.41Å; T1005-V1008 PolarHBondContact O-N 3.2Å; T1005-V1008 VanDerWaalsContact O-N 3.14Å; T1005-D1009 VanDerWaalsContact O-CB 3.3Å; T1005-D1009 WeakPolarHBondContact O-CB 3.09Å; T1005-D1009 PolarHBondContact O-N 2.73Å |
| 1006 | S | 67 | Low | 64.2 | Low | 70 Ų | 70 | 91.1 Ų | 91.1 | 49% | 0.49 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 178.2 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | L1002 D1009 L1010 | L1002-S1006 WeakPolarHBondContact O-CA 3.49Å; L1002-S1006 WeakPolarHBondContact O-CB 3.23Å; L1002-S1006 PolarHBondContact O-N 3.43Å; S1006-D1009 PolarHBondContact O-N 2.72Å; S1006-L1010 WeakPolarHBondContact O-CB 3.4Å; S1006-L1010 PolarHBondContact O-N 3.41Å |
| 1007 | V | 72.6 | Confident | 66.1 | Low | 92 Ų | 92 | 96.2 Ų | 96.2 | 56% | 0.558 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.6 | -39.6 | 175.8 | 169.1 | 0 | 0 | 0 | 0 | 111.7 | S1003 T1005 L1010 L1011 | S1003-V1007 VanDerWaalsContact O-CB 3.31Å; S1003-V1007 WeakPolarHBondContact O-CB 3.35Å; S1003-V1007 WeakPolarHBondContact O-CG2 3.3Å; S1003-V1007 PolarHBondContact O-N 2.84Å; T1005-V1007 PolarHBondContact O-N 3.23Å; V1007-L1010 WeakPolarHBondContact O-CB 3.47Å; V1007-L1010 PolarHBondContact O-N 3.14Å; V1007-L1011 WeakPolarHBondContact O-CB 3.4Å; V1007-L1011 PolarHBondContact O-N 2.84Å |
| 1008 | V | 75.9 | Confident | 67.7 | Low | 73 Ų | 73 | 96.7 Ų | 96.7 | 44% | 0.442 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 173.6 | 170.3 | 0 | 0 | 0 | 0 | 111 | K1004 T1005 L1010 L1011 Y1012 | K1004-V1008 WeakPolarHBondContact O-CG2 3.45Å; K1004-V1008 PolarHBondContact O-N 2.88Å; T1005-V1008 CarbonylContact O-C 3.41Å; T1005-V1008 PolarHBondContact O-N 3.2Å; T1005-V1008 VanDerWaalsContact O-N 3.14Å; V1008-L1010 VanDerWaalsContact C-N 3.26Å; V1008-L1010 PolarHBondContact O-N 2.96Å; V1008-L1011 WeakPolarHBondContact O-CB 3.48Å; V1008-L1011 PolarHBondContact O-N 3.11Å; V1008-L1011 VanDerWaalsContact O-N 3.07Å; V1008-Y1012 HydrophobicContact CG1-CD2 3.79Å; V1008-Y1012 HydrophobicContact CG1-CE2 4.08Å; V1008-Y1012 WeakPolarHBondContact O-CD2 3.26Å; V1008-Y1012 PolarHBondContact O-N 3.36Å |
| 1009 | D | 75.8 | Confident | 69.7 | Low | 41 Ų | 41 | 90.9 Ų | 90.9 | 22% | 0.219 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -66.8 | -30.1 | 178.2 | -62.6 | -21.9 | 0 | 0 | 0 | 111.7 | T1005 S1006 W1013 R1014 | T1005-D1009 VanDerWaalsContact O-CB 3.3Å; T1005-D1009 WeakPolarHBondContact O-CB 3.09Å; T1005-D1009 PolarHBondContact O-N 2.73Å; S1006-D1009 PolarHBondContact O-N 2.72Å; D1009-W1013 PolarHBondContact O-N 3.03Å; D1009-R1014 HydrophobicContact CB-CB 4.23Å; D1009-R1014 HydrophobicContact CB-CG 4.42Å; D1009-R1014 PolarHBondContact O-N 2.89Å; D1009-R1014 WeakPolarHBondContact OD1-CD 3.29Å; D1009-R1014 IonicContact OD1-CZ 3.28Å; D1009-R1014 IonicContact OD1-NE 2.73Å; D1009-R1014 IonicContact OD1-NH1 3.07Å; D1009-R1014 PolarHBondContact OD1-NH1 2.97Å |
| 1010 | L | 75.3 | Confident | 71.7 | Confident | 34 Ų | 34 | 88.4 Ų | 88.4 | 18% | 0.178 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -69.1 | -39.8 | 169.9 | -160.2 | 86.7 | 0 | 0 | 0 | 111.8 | S1006 V1007 V1008 K1018 T1019 V1022 F1151 | S1006-L1010 WeakPolarHBondContact O-CB 3.4Å; S1006-L1010 PolarHBondContact O-N 3.41Å; V1007-L1010 WeakPolarHBondContact O-CB 3.47Å; V1007-L1010 PolarHBondContact O-N 3.14Å; V1008-L1010 VanDerWaalsContact C-N 3.26Å; V1008-L1010 PolarHBondContact O-N 2.96Å; L1010-K1018 HydrophobicContact CD1-CB 4.29Å; L1010-T1019 HydrophobicContact CD1-CG2 4.15Å; L1010-T1019 HydrophobicContact CG-CG2 4.33Å; L1010-T1019 VanDerWaalsContact O-CB 3.31Å; L1010-T1019 WeakPolarHBondContact O-CB 3.37Å; L1010-T1019 VanDerWaalsContact O-CG2 3.26Å; L1010-T1019 WeakPolarHBondContact O-CG2 3.3Å; L1010-V1022 HydrophobicContact CD1-CB 4.27Å; L1010-V1022 HydrophobicContact CD1-CG2 4.11Å; L1010-V1022 HydrophobicContact CD2-CB 4.05Å; L1010-V1022 HydrophobicContact CD2-CG1 3.86Å; L1010-V1022 HydrophobicContact CD2-CG2 4.43Å; L1010-F1151 HydrophobicContact CD2-CE1 4.1Å; L1010-F1151 HydrophobicContact CD2-CZ 3.96Å; L1010-F1151 HydrophobicContact CG-CE1 4.11Å; L1010-F1151 HydrophobicContact CG-CZ 4.48Å; L1010-F1151 WeakPolarHBondContact O-CE1 3.32Å |
| 1011 | L | 77.9 | Confident | 73.8 | Confident | 37 Ų | 37 | 90.3 Ų | 90.3 | 19% | 0.194 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -74.7 | -38.1 | -177.4 | -157.8 | 78.2 | 0 | 0 | 0 | 112.9 | V1007 V1008 W1013 L1150 P1154 | V1007-L1011 WeakPolarHBondContact O-CB 3.4Å; V1007-L1011 PolarHBondContact O-N 2.84Å; V1008-L1011 WeakPolarHBondContact O-CB 3.48Å; V1008-L1011 PolarHBondContact O-N 3.11Å; V1008-L1011 VanDerWaalsContact O-N 3.07Å; L1011-W1013 VanDerWaalsContact C-N 3.28Å; L1011-W1013 PolarHBondContact O-N 2.94Å; L1011-L1150 HydrophobicContact CD1-CD1 3.75Å; L1011-L1150 HydrophobicContact CD1-CG 3.73Å; L1011-L1150 VanDerWaalsContact CD1-O 3.26Å; L1011-L1150 WeakPolarHBondContact CD1-O 3.28Å; L1011-L1150 HydrophobicContact CD2-CD1 4.41Å; L1011-P1154 HydrophobicContact CD2-CG 3.9Å; L1011-P1154 HydrophobicContact CG-CG 4.03Å |
| 1012 | Y | 77.6 | Confident | 75.7 | Confident | 99 Ų | 99 | 88 Ų | 88 | 39% | 0.388 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 13.6 | 176.2 | -78.6 | -95.2 | 0 | 0 | 0 | 113.1 | V1008 R1014 P1154 | V1008-Y1012 HydrophobicContact CG1-CD2 3.79Å; V1008-Y1012 HydrophobicContact CG1-CE2 4.08Å; V1008-Y1012 WeakPolarHBondContact O-CD2 3.26Å; V1008-Y1012 PolarHBondContact O-N 3.36Å; Y1012-R1014 PolarHBondContact O-N 3.42Å; Y1012-P1154 HydrophobicContact CD1-CB 4.08Å; Y1012-P1154 HydrophobicContact CD2-CB 4.34Å; Y1012-P1154 HydrophobicContact CE1-CB 3.9Å; Y1012-P1154 HydrophobicContact CE2-CB 4.19Å; Y1012-P1154 HydrophobicContact CG-CB 4.31Å |
| 1013 | W | 81.3 | Confident | 77.2 | Confident | 78 Ų | 78 | 84.1 Ų | 84.1 | 30% | 0.295 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 20.6 | 175.1 | -73.6 | 63.5 | 0 | 0 | 0 | 116.1 | D1009 L1011 D1015 I1016 F1023 F1151 V1155 | D1009-W1013 PolarHBondContact O-N 3.03Å; L1011-W1013 VanDerWaalsContact C-N 3.28Å; L1011-W1013 PolarHBondContact O-N 2.94Å; W1013-D1015 VanDerWaalsContact C-N 3.26Å; W1013-D1015 PolarHBondContact O-N 3.03Å; W1013-I1016 HydrophobicContact CE3-CG2 4.26Å; W1013-I1016 HydrophobicContact CZ3-CG2 4.47Å; W1013-I1016 WeakPolarHBondContact O-CG1 3.33Å; W1013-I1016 PolarHBondContact O-N 3.49Å; W1013-F1023 HydrophobicContact CH2-CD1 4.36Å; W1013-F1023 HydrophobicContact CZ2-CD1 4.02Å; W1013-F1023 HydrophobicContact CZ2-CE1 4.39Å; W1013-F1151 AromaticContact NE1-CD1 3.96Å; W1013-F1151 PolarHBondContact NE1-O 3.48Å; W1013-V1155 HydrophobicContact CB-CG2 4.03Å; W1013-V1155 HydrophobicContact CG-CG2 3.76Å |
| 1014 | R | 78.9 | Confident | 78.7 | Confident | 183 Ų | 183 | 82.8 Ų | 82.8 | 69% | 0.691 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -38.2 | -175.8 | -59 | 178 | 106.1 | 178.8 | 3.6 | 111.8 | D1009 Y1012 | D1009-R1014 HydrophobicContact CB-CB 4.23Å; D1009-R1014 HydrophobicContact CB-CG 4.42Å; D1009-R1014 PolarHBondContact O-N 2.89Å; D1009-R1014 WeakPolarHBondContact OD1-CD 3.29Å; D1009-R1014 IonicContact OD1-CZ 3.28Å; D1009-R1014 IonicContact OD1-NE 2.73Å; D1009-R1014 IonicContact OD1-NH1 3.07Å; D1009-R1014 PolarHBondContact OD1-NH1 2.97Å; Y1012-R1014 PolarHBondContact O-N 3.42Å |
| 1015 | D | 78.7 | Confident | 79.8 | Confident | 105 Ų | 105 | 78.2 Ų | 78.2 | 56% | 0.561 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 66.9 | 174.2 | -104.8 | -38.8 | 0 | 0 | 0 | 111 | W1013 K1017 K1018 T1019 | W1013-D1015 VanDerWaalsContact C-N 3.26Å; W1013-D1015 PolarHBondContact O-N 3.03Å; D1015-K1017 PolarHBondContact O-N 3.14Å; D1015-K1018 HydrophobicContact CB-CB 4.16Å; D1015-K1018 HydrophobicContact CB-CG 4.29Å; D1015-K1018 WeakPolarHBondContact O-CA 3.31Å; D1015-K1018 PolarHBondContact O-N 2.89Å; D1015-T1019 HydrophobicContact CB-CG2 4.47Å; D1015-T1019 WeakPolarHBondContact O-CG2 3.32Å; D1015-T1019 PolarHBondContact O-N 3.45Å |
| 1016 | I | 80.8 | Confident | 80.9 | Confident | 115 Ų | 115 | 76.8 Ų | 76.8 | 59% | 0.59 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -41.3 | -37.8 | -173.7 | -56.7 | 173.1 | 0 | 0 | 0 | 113.9 | W1013 T1019 G1020 | W1013-I1016 HydrophobicContact CE3-CG2 4.26Å; W1013-I1016 HydrophobicContact CZ3-CG2 4.47Å; W1013-I1016 WeakPolarHBondContact O-CG1 3.33Å; W1013-I1016 PolarHBondContact O-N 3.49Å; I1016-T1019 WeakPolarHBondContact CA-OG1 3.33Å; I1016-T1019 PolarHBondContact O-OG1 3.18Å; I1016-G1020 PolarHBondContact O-N 3.41Å |
| 1017 | K | 83.4 | Confident | 81.8 | Confident | 187 Ų | 187 | 75.6 Ų | 75.6 | 81% | 0.813 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -71.3 | -24.5 | 179.5 | -63.5 | 179.6 | -178.8 | 176.4 | 0 | 114.5 | D1015 V1021 | D1015-K1017 PolarHBondContact O-N 3.14Å; K1017-V1021 WeakPolarHBondContact O-CG2 3.44Å |
| 1018 | K | 81.2 | Confident | 82.4 | Confident | 140 Ų | 140 | 78.1 Ų | 78.1 | 61% | 0.609 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -93.8 | -44.3 | 173.3 | -62 | -66.3 | -171.3 | 171.2 | 0 | 110.3 | L1010 D1015 V1021 V1022 | L1010-K1018 HydrophobicContact CD1-CB 4.29Å; D1015-K1018 HydrophobicContact CB-CB 4.16Å; D1015-K1018 HydrophobicContact CB-CG 4.29Å; D1015-K1018 WeakPolarHBondContact O-CA 3.31Å; D1015-K1018 PolarHBondContact O-N 2.89Å; K1018-V1021 PolarHBondContact O-N 2.6Å; K1018-V1022 WeakPolarHBondContact O-CG2 3.39Å; K1018-V1022 PolarHBondContact O-N 2.9Å |
| 1019 | T | 85.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.4 | -51 | -178.2 | 77.5 | 0 | 0 | 0 | 0 | 110.4 | L1010 D1015 I1016 V1021 V1022 F1023 | L1010-T1019 HydrophobicContact CD1-CG2 4.15Å; L1010-T1019 HydrophobicContact CG-CG2 4.33Å; L1010-T1019 VanDerWaalsContact O-CB 3.31Å; L1010-T1019 WeakPolarHBondContact O-CB 3.37Å; L1010-T1019 VanDerWaalsContact O-CG2 3.26Å; L1010-T1019 WeakPolarHBondContact O-CG2 3.3Å; D1015-T1019 HydrophobicContact CB-CG2 4.47Å; D1015-T1019 WeakPolarHBondContact O-CG2 3.32Å; D1015-T1019 PolarHBondContact O-N 3.45Å; I1016-T1019 WeakPolarHBondContact CA-OG1 3.33Å; I1016-T1019 PolarHBondContact O-OG1 3.18Å; T1019-V1021 VanDerWaalsContact C-N 3.3Å; T1019-V1021 PolarHBondContact O-N 2.96Å; T1019-V1022 PolarHBondContact O-N 3.45Å; T1019-F1023 WeakPolarHBondContact O-CB 3.31Å; T1019-F1023 PolarHBondContact O-N 3.48Å |
| 1020 | G | 87.8 | Confident | 82.8 | Confident | 29 Ų | 29 | 78.7 Ų | 78.7 | 30% | 0.299 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.7 | -27.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I1016 G1024 | I1016-G1020 PolarHBondContact O-N 3.41Å; G1020-G1024 WeakPolarHBondContact O-CA 3.25Å; G1020-G1024 PolarHBondContact O-N 3.32Å |
| 1021 | V | 88.1 | Confident | 82.9 | Confident | 99 Ų | 99 | 81.8 Ų | 81.8 | 60% | 0.6 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -76.1 | -44.1 | 174.8 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | K1017 K1018 T1019 A1025 | K1017-V1021 WeakPolarHBondContact O-CG2 3.44Å; K1018-V1021 PolarHBondContact O-N 2.6Å; T1019-V1021 VanDerWaalsContact C-N 3.3Å; T1019-V1021 PolarHBondContact O-N 2.96Å; V1021-A1025 WeakPolarHBondContact O-CB 3.09Å; V1021-A1025 PolarHBondContact O-N 2.85Å |
| 1022 | V | 86 | Confident | 82.6 | Confident | 73 Ų | 73 | 82.5 Ų | 82.5 | 44% | 0.442 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.8 | -44.6 | 178.1 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | L1010 K1018 T1019 S1026 | L1010-V1022 HydrophobicContact CD1-CB 4.27Å; L1010-V1022 HydrophobicContact CD1-CG2 4.11Å; L1010-V1022 HydrophobicContact CD2-CB 4.05Å; L1010-V1022 HydrophobicContact CD2-CG1 3.86Å; L1010-V1022 HydrophobicContact CD2-CG2 4.43Å; K1018-V1022 WeakPolarHBondContact O-CG2 3.39Å; K1018-V1022 PolarHBondContact O-N 2.9Å; T1019-V1022 PolarHBondContact O-N 3.45Å; V1022-S1026 WeakPolarHBondContact O-CB 3.08Å; V1022-S1026 PolarHBondContact O-N 2.96Å |
| 1023 | F | 85.1 | Confident | 82.3 | Confident | 28 Ų | 28 | 80.9 Ų | 80.9 | 12% | 0.123 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 173.5 | 177 | -112.6 | 0 | 0 | 0 | 111.2 | W1013 T1019 S1026 L1027 L1147 I1148 F1151 | W1013-F1023 HydrophobicContact CH2-CD1 4.36Å; W1013-F1023 HydrophobicContact CZ2-CD1 4.02Å; W1013-F1023 HydrophobicContact CZ2-CE1 4.39Å; T1019-F1023 WeakPolarHBondContact O-CB 3.31Å; T1019-F1023 PolarHBondContact O-N 3.48Å; F1023-S1026 PolarHBondContact O-N 2.78Å; F1023-L1027 HydrophobicContact CE1-CD2 4.06Å; F1023-L1027 HydrophobicContact CZ-CD2 3.99Å; F1023-L1027 WeakPolarHBondContact O-CB 3.34Å; F1023-L1027 PolarHBondContact O-N 3.22Å; F1023-L1147 HydrophobicContact CD2-CG 4.32Å; F1023-L1147 HydrophobicContact CE2-CG 4.23Å; F1023-I1148 HydrophobicContact CE2-CG1 4.42Å; F1023-I1148 HydrophobicContact CZ-CG1 4.1Å; F1023-F1151 HydrophobicContact CB-CD1 4.08Å; F1023-F1151 HydrophobicContact CB-CE1 4.16Å; F1023-F1151 HydrophobicContact CB-CG 4.31Å; F1023-F1151 HydrophobicContact CB-CZ 4.46Å; F1023-F1151 HydrophobicContact CD2-CB 3.64Å; F1023-F1151 HydrophobicContact CD2-CD1 4.13Å; F1023-F1151 AromaticContact CD2-CD2 3.55Å; F1023-F1151 HydrophobicContact CD2-CD2 3.55Å; F1023-F1151 HydrophobicContact CD2-CE2 4.2Å; F1023-F1151 AromaticContact CD2-CG 3.5Å; F1023-F1151 HydrophobicContact CD2-CG 3.5Å; F1023-F1151 VanDerWaalsContact CD2-CG 3.5Å; F1023-F1151 HydrophobicContact CE2-CB 3.77Å; F1023-F1151 HydrophobicContact CE2-CD2 4.17Å; F1023-F1151 HydrophobicContact CE2-CG 4.11Å; F1023-F1151 HydrophobicContact CG-CB 4.33Å; F1023-F1151 HydrophobicContact CG-CD1 4.33Å; F1023-F1151 HydrophobicContact CG-CD2 4.47Å; F1023-F1151 HydrophobicContact CG-CG 4.13Å |
| 1024 | G | 88.5 | Confident | 81.7 | Confident | 31 Ų | 31 | 78.2 Ų | 78.2 | 32% | 0.32 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1020 F1028 | G1020-G1024 WeakPolarHBondContact O-CA 3.25Å; G1020-G1024 PolarHBondContact O-N 3.32Å; G1024-F1028 WeakPolarHBondContact O-CB 3.49Å; G1024-F1028 PolarHBondContact O-N 3.42Å |
| 1025 | A | 85.6 | Confident | 81.1 | Confident | 60 Ų | 60 | 75.7 Ų | 75.7 | 50% | 0.496 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.7 | -40 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1021 L1029 | V1021-A1025 WeakPolarHBondContact O-CB 3.09Å; V1021-A1025 PolarHBondContact O-N 2.85Å; A1025-L1029 VanDerWaalsContact O-CB 3.3Å; A1025-L1029 WeakPolarHBondContact O-CB 3.48Å; A1025-L1029 PolarHBondContact O-N 3.01Å |
| 1026 | S | 85.3 | Confident | 80 | Confident | 38 Ų | 38 | 78 Ų | 78 | 27% | 0.266 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.9 | -45.3 | 175.7 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | V1022 F1023 F1028 L1029 L1030 L1147 | V1022-S1026 WeakPolarHBondContact O-CB 3.08Å; V1022-S1026 PolarHBondContact O-N 2.96Å; F1023-S1026 PolarHBondContact O-N 2.78Å; S1026-F1028 PolarHBondContact O-N 2.81Å; S1026-L1029 PolarHBondContact O-N 3.12Å; S1026-L1030 WeakPolarHBondContact O-CB 3.45Å; S1026-L1030 WeakPolarHBondContact O-CD1 3.31Å; S1026-L1030 PolarHBondContact O-N 3.46Å; S1026-L1147 WeakPolarHBondContact OG-CD2 3.18Å |
| 1027 | L | 86.7 | Confident | 79.2 | Confident | 46 Ų | 46 | 74.6 Ų | 74.6 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64 | -37.7 | 175.9 | -177.2 | 61.9 | 0 | 0 | 0 | 112.1 | F1023 L1031 I1144 L1147 I1148 | F1023-L1027 HydrophobicContact CE1-CD2 4.06Å; F1023-L1027 HydrophobicContact CZ-CD2 3.99Å; F1023-L1027 WeakPolarHBondContact O-CB 3.34Å; F1023-L1027 PolarHBondContact O-N 3.22Å; L1027-L1031 WeakPolarHBondContact O-CB 3.37Å; L1027-L1031 PolarHBondContact O-N 3.03Å; L1027-I1144 HydrophobicContact CD1-CG1 4.26Å; L1027-I1144 HydrophobicContact CD1-CG2 3.8Å; L1027-L1147 HydrophobicContact CB-CD2 4.19Å; L1027-I1148 HydrophobicContact CD1-CD1 4.34Å; L1027-I1148 HydrophobicContact CD1-CG1 4.28Å |
| 1028 | F | 84.8 | Confident | 78.2 | Confident | 145 Ų | 145 | 69.4 Ų | 69.4 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -69.9 | -39.9 | 175.2 | 179.3 | -94.5 | 0 | 0 | 0 | 112.6 | G1024 S1026 L1031 S1032 | G1024-F1028 WeakPolarHBondContact O-CB 3.49Å; G1024-F1028 PolarHBondContact O-N 3.42Å; S1026-F1028 PolarHBondContact O-N 2.81Å; F1028-L1031 PolarHBondContact O-N 3.06Å; F1028-S1032 WeakPolarHBondContact O-CB 3.42Å; F1028-S1032 PolarHBondContact O-N 2.77Å; F1028-S1032 PolarHBondContact O-OG 2.79Å |
| 1029 | L | 81.1 | Confident | 77.6 | Confident | 102 Ų | 102 | 65 Ų | 65 | 53% | 0.534 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.3 | -48.8 | 173.3 | 176.9 | 63.3 | 0 | 0 | 0 | 110.4 | A1025 S1026 S1032 L1033 | A1025-L1029 VanDerWaalsContact O-CB 3.3Å; A1025-L1029 WeakPolarHBondContact O-CB 3.48Å; A1025-L1029 PolarHBondContact O-N 3.01Å; S1026-L1029 PolarHBondContact O-N 3.12Å; L1029-S1032 WeakPolarHBondContact O-CB 3.4Å; L1029-S1032 PolarHBondContact O-N 2.86Å; L1029-L1033 HydrophobicContact CD1-CD1 3.91Å; L1029-L1033 HydrophobicContact CG-CD1 4.44Å; L1029-L1033 VanDerWaalsContact O-CD1 3.26Å; L1029-L1033 WeakPolarHBondContact O-CD1 3.11Å; L1029-L1033 PolarHBondContact O-N 2.74Å; L1029-L1033 VanDerWaalsContact O-N 3.08Å |
| 1030 | L | 79 | Confident | 76.6 | Confident | 23 Ų | 23 | 66.6 Ų | 66.6 | 12% | 0.12 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -56.7 | -51.9 | 172.4 | -95.8 | 63.6 | 0 | 0 | 0 | 110.8 | S1026 S1032 L1033 T1034 L1140 L1143 I1144 L1147 | S1026-L1030 WeakPolarHBondContact O-CB 3.45Å; S1026-L1030 WeakPolarHBondContact O-CD1 3.31Å; S1026-L1030 PolarHBondContact O-N 3.46Å; L1030-S1032 PolarHBondContact O-N 2.7Å; L1030-L1033 CarbonylContact O-C 3.35Å; L1030-L1033 WeakPolarHBondContact O-CA 3.36Å; L1030-L1033 PolarHBondContact O-N 2.99Å; L1030-T1034 PolarHBondContact O-N 2.92Å; L1030-T1034 PolarHBondContact O-OG1 2.75Å; L1030-L1140 HydrophobicContact CB-CD2 3.86Å; L1030-L1140 HydrophobicContact CG-CD2 4.14Å; L1030-L1140 HydrophobicContact CG-CG 4.47Å; L1030-L1140 WeakPolarHBondContact O-CD2 3.17Å; L1030-L1143 HydrophobicContact CD1-CD2 4.48Å; L1030-L1143 HydrophobicContact CD2-CB 4.32Å; L1030-L1143 HydrophobicContact CD2-CD2 4.09Å; L1030-L1143 HydrophobicContact CD2-CG 3.89Å; L1030-L1143 HydrophobicContact CG-CD2 4.19Å; L1030-I1144 HydrophobicContact CB-CD1 4.32Å; L1030-I1144 HydrophobicContact CB-CG1 3.78Å; L1030-I1144 HydrophobicContact CD2-CG1 3.86Å; L1030-I1144 HydrophobicContact CG-CG1 4.33Å; L1030-L1147 HydrophobicContact CD2-CB 4.29Å; L1030-L1147 HydrophobicContact CD2-CD2 3.96Å |
| 1031 | L | 77.5 | Confident | 75.6 | Confident | 100 Ų | 100 | 68.8 Ų | 68.8 | 52% | 0.524 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.2 | -34.6 | -178.9 | -169.5 | 65.8 | 0 | 0 | 0 | 112.4 | L1027 F1028 T1034 I1144 | L1027-L1031 WeakPolarHBondContact O-CB 3.37Å; L1027-L1031 PolarHBondContact O-N 3.03Å; F1028-L1031 PolarHBondContact O-N 3.06Å; L1031-T1034 VanDerWaalsContact C-OG1 3.22Å; L1031-T1034 WeakPolarHBondContact CA-OG1 3.22Å; L1031-T1034 PolarHBondContact O-N 3Å; L1031-T1034 PolarHBondContact O-OG1 3.46Å; L1031-I1144 HydrophobicContact CD1-CD1 4.42Å |
| 1032 | S | 72.4 | Confident | 74.7 | Confident | 51 Ų | 51 | 68 Ų | 68 | 36% | 0.357 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 172.8 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | F1028 L1029 L1030 T1034 V1035 | F1028-S1032 WeakPolarHBondContact O-CB 3.42Å; F1028-S1032 PolarHBondContact O-N 2.77Å; F1028-S1032 PolarHBondContact O-OG 2.79Å; L1029-S1032 WeakPolarHBondContact O-CB 3.4Å; L1029-S1032 PolarHBondContact O-N 2.86Å; L1030-S1032 PolarHBondContact O-N 2.7Å; S1032-T1034 VanDerWaalsContact C-N 3.34Å; S1032-T1034 PolarHBondContact O-N 3.16Å; S1032-V1035 PolarHBondContact O-N 2.7Å |
| 1033 | L | 70.3 | Confident | 74.1 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 34% | 0.34 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.4 | -18.9 | 175.8 | -86.6 | 69.4 | 0 | 0 | 0 | 113.5 | L1029 L1030 V1035 F1036 I1038 L1140 | L1029-L1033 HydrophobicContact CD1-CD1 3.91Å; L1029-L1033 HydrophobicContact CG-CD1 4.44Å; L1029-L1033 VanDerWaalsContact O-CD1 3.26Å; L1029-L1033 WeakPolarHBondContact O-CD1 3.11Å; L1029-L1033 PolarHBondContact O-N 2.74Å; L1029-L1033 VanDerWaalsContact O-N 3.08Å; L1030-L1033 CarbonylContact O-C 3.35Å; L1030-L1033 WeakPolarHBondContact O-CA 3.36Å; L1030-L1033 PolarHBondContact O-N 2.99Å; L1033-V1035 VanDerWaalsContact C-N 3.26Å; L1033-V1035 PolarHBondContact O-N 3.48Å; L1033-F1036 CarbonylContact O-C 3.21Å; L1033-I1038 HydrophobicContact CD2-CD1 3.97Å; L1033-I1038 HydrophobicContact CG-CD1 3.96Å; L1033-L1140 HydrophobicContact CB-CD1 3.35Å; L1033-L1140 HydrophobicContact CD2-CD1 4.35Å |
| 1034 | T | 69.4 | Low | 73.6 | Confident | 22 Ų | 22 | 70.3 Ų | 70.3 | 14% | 0.135 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.1 | -29.3 | 168.8 | 12 | 0 | 0 | 0 | 0 | 112.7 | L1030 L1031 S1032 N1138 L1140 T1141 I1144 | L1030-T1034 PolarHBondContact O-N 2.92Å; L1030-T1034 PolarHBondContact O-OG1 2.75Å; L1031-T1034 VanDerWaalsContact C-OG1 3.22Å; L1031-T1034 WeakPolarHBondContact CA-OG1 3.22Å; L1031-T1034 PolarHBondContact O-N 3Å; L1031-T1034 PolarHBondContact O-OG1 3.46Å; S1032-T1034 VanDerWaalsContact C-N 3.34Å; S1032-T1034 PolarHBondContact O-N 3.16Å; T1034-N1138 WeakPolarHBondContact CG2-ND2 3.33Å; T1034-L1140 HydrophobicContact CG2-CB 4.1Å; T1034-L1140 HydrophobicContact CG2-CD2 3.6Å; T1034-L1140 HydrophobicContact CG2-CG 4.46Å; T1034-T1141 HydrophobicContact CG2-CG2 3.84Å; T1034-I1144 HydrophobicContact CG2-CD1 4.15Å |
| 1035 | V | 66.1 | Low | 73 | Confident | 130 Ų | 130 | 73.2 Ų | 73.2 | 79% | 0.788 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -81.9 | -26.6 | -176.6 | 179 | 0 | 0 | 0 | 0 | 111.4 | S1032 L1033 | S1032-V1035 PolarHBondContact O-N 2.7Å; L1033-V1035 VanDerWaalsContact C-N 3.26Å; L1033-V1035 PolarHBondContact O-N 3.48Å |
| 1036 | F | 56.1 | Low | 72.4 | Confident | 154 Ų | 154 | 71.2 Ų | 71.2 | 68% | 0.675 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -120.3 | 90.9 | 176.2 | -170.7 | -97.7 | 0 | 0 | 0 | 108.9 | L1033 I1038 | L1033-F1036 CarbonylContact O-C 3.21Å; F1036-I1038 VanDerWaalsContact C-N 3.31Å; F1036-I1038 HydrophobicContact CD1-CG1 3.89Å; F1036-I1038 HydrophobicContact CE1-CG1 4.3Å; F1036-I1038 PolarHBondContact O-N 2.84Å |
| 1037 | S | 63.8 | Low | 72.2 | Confident | 43 Ų | 43 | 72.2 Ų | 72.2 | 30% | 0.301 | 38% | 0.384 | S | S | . | . | | | trans | -69.9 | 78.1 | -167.3 | -176.6 | 0 | 0 | 0 | 0 | 113.8 | V1039 S1040 V1041 | S1037-V1039 PolarHBondContact O-N 3.36Å; S1037-S1040 WeakPolarHBondContact CB-OG 3.26Å; S1037-S1040 PolarHBondContact O-N 3.15Å; S1037-S1040 PolarHBondContact O-OG 3.02Å; S1037-S1040 VanDerWaalsContact O-OG 3.04Å; S1037-S1040 PolarHBondContact OG-OG 3.44Å; S1037-V1041 WeakPolarHBondContact O-CG2 3.21Å; S1037-V1041 PolarHBondContact O-N 3.44Å |
| 1038 | I | 62.6 | Low | 71.9 | Confident | 78 Ų | 78 | 72.5 Ų | 72.5 | 40% | 0.4 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.5 | -38 | 174.1 | -61 | 178.2 | 0 | 0 | 0 | 110.3 | L1033 F1036 S1040 V1041 T1042 | L1033-I1038 HydrophobicContact CD2-CD1 3.97Å; L1033-I1038 HydrophobicContact CG-CD1 3.96Å; F1036-I1038 VanDerWaalsContact C-N 3.31Å; F1036-I1038 HydrophobicContact CD1-CG1 3.89Å; F1036-I1038 HydrophobicContact CE1-CG1 4.3Å; F1036-I1038 PolarHBondContact O-N 2.84Å; I1038-S1040 PolarHBondContact O-N 2.71Å; I1038-V1041 PolarHBondContact O-N 3.25Å; I1038-V1041 VanDerWaalsContact O-N 3.16Å; I1038-T1042 WeakPolarHBondContact O-CB 3.38Å; I1038-T1042 PolarHBondContact O-N 3.22Å; I1038-T1042 PolarHBondContact O-OG1 2.65Å; I1038-T1042 VanDerWaalsContact O-OG1 3.08Å |
| 1039 | V | 67.2 | Low | 71.5 | Confident | 47 Ų | 47 | 69.7 Ų | 69.7 | 29% | 0.285 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.2 | -47.8 | -177.4 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | S1037 A1043 F1130 | S1037-V1039 PolarHBondContact O-N 3.36Å; V1039-A1043 WeakPolarHBondContact O-CB 3.4Å; V1039-A1043 PolarHBondContact O-N 2.9Å; V1039-A1043 VanDerWaalsContact O-N 3.08Å; V1039-F1130 HydrophobicContact CG1-CE1 3.82Å; V1039-F1130 HydrophobicContact CG1-CZ 4Å |
| 1040 | S | 66 | Low | 71.3 | Confident | 35 Ų | 35 | 65 Ų | 65 | 25% | 0.245 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.4 | -38.1 | 176.5 | 53.4 | 0 | 0 | 0 | 0 | 112 | S1037 I1038 A1043 Y1044 | S1037-S1040 WeakPolarHBondContact CB-OG 3.26Å; S1037-S1040 PolarHBondContact O-N 3.15Å; S1037-S1040 PolarHBondContact O-OG 3.02Å; S1037-S1040 VanDerWaalsContact O-OG 3.04Å; S1037-S1040 PolarHBondContact OG-OG 3.44Å; I1038-S1040 PolarHBondContact O-N 2.71Å; S1040-A1043 PolarHBondContact O-N 3.27Å; S1040-Y1044 WeakPolarHBondContact O-CB 3.18Å; S1040-Y1044 WeakPolarHBondContact O-CD2 2.88Å; S1040-Y1044 PolarHBondContact O-N 3.03Å |
| 1041 | V | 66.4 | Low | 71.5 | Confident | 74 Ų | 74 | 67 Ų | 67 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 177.4 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | S1037 I1038 A1043 Y1044 I1045 | S1037-V1041 WeakPolarHBondContact O-CG2 3.21Å; S1037-V1041 PolarHBondContact O-N 3.44Å; I1038-V1041 PolarHBondContact O-N 3.25Å; I1038-V1041 VanDerWaalsContact O-N 3.16Å; V1041-A1043 VanDerWaalsContact C-N 3.35Å; V1041-A1043 PolarHBondContact O-N 3.03Å; V1041-Y1044 PolarHBondContact O-N 3.23Å; V1041-I1045 HydrophobicContact CG1-CD1 3.72Å; V1041-I1045 HydrophobicContact CG1-CG1 4.48Å; V1041-I1045 VanDerWaalsContact O-CG1 3.28Å; V1041-I1045 WeakPolarHBondContact O-CG1 3.27Å; V1041-I1045 PolarHBondContact O-N 3.18Å |
| 1042 | T | 68.4 | Low | 71.6 | Confident | 83 Ų | 83 | 67 Ų | 67 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 175.5 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | I1038 I1045 A1046 | I1038-T1042 WeakPolarHBondContact O-CB 3.38Å; I1038-T1042 PolarHBondContact O-N 3.22Å; I1038-T1042 PolarHBondContact O-OG1 2.65Å; I1038-T1042 VanDerWaalsContact O-OG1 3.08Å; T1042-I1045 PolarHBondContact O-N 3.42Å; T1042-A1046 WeakPolarHBondContact O-CB 3.44Å; T1042-A1046 PolarHBondContact O-N 3.08Å |
| 1043 | A | 74.3 | Confident | 71.9 | Confident | 3 Ų | 3 | 65.8 Ų | 65.8 | 3% | 0.025 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1039 S1040 V1041 A1046 L1047 F1130 T1131 | V1039-A1043 WeakPolarHBondContact O-CB 3.4Å; V1039-A1043 PolarHBondContact O-N 2.9Å; V1039-A1043 VanDerWaalsContact O-N 3.08Å; S1040-A1043 PolarHBondContact O-N 3.27Å; V1041-A1043 VanDerWaalsContact C-N 3.35Å; V1041-A1043 PolarHBondContact O-N 3.03Å; A1043-A1046 PolarHBondContact O-N 2.65Å; A1043-L1047 WeakPolarHBondContact O-CB 3.46Å; A1043-L1047 PolarHBondContact O-N 3.07Å; A1043-F1130 HydrophobicContact CB-CD1 3.88Å; A1043-F1130 HydrophobicContact CB-CE1 4.29Å; A1043-T1131 HydrophobicContact CB-CG2 3.68Å |
| 1044 | Y | 74.6 | Confident | 72.2 | Confident | 146 Ų | 146 | 64.1 Ų | 64.1 | 57% | 0.573 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -70.1 | -37.5 | 175.4 | -72 | -53.8 | 0 | 0 | 0 | 112.9 | S1040 V1041 L1047 A1048 T1131 | S1040-Y1044 WeakPolarHBondContact O-CB 3.18Å; S1040-Y1044 WeakPolarHBondContact O-CD2 2.88Å; S1040-Y1044 PolarHBondContact O-N 3.03Å; V1041-Y1044 PolarHBondContact O-N 3.23Å; Y1044-L1047 PolarHBondContact O-N 2.73Å; Y1044-A1048 VanDerWaalsContact O-CB 3.24Å; Y1044-A1048 WeakPolarHBondContact O-CB 3.32Å; Y1044-A1048 PolarHBondContact O-N 2.88Å; Y1044-T1131 HydrophobicContact CD1-CG2 4.35Å; Y1044-T1131 HydrophobicContact CE1-CG2 4.2Å |
| 1045 | I | 74.5 | Confident | 72.8 | Confident | 92 Ų | 92 | 66.2 Ų | 66.2 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 173 | -69.9 | 165.7 | 0 | 0 | 0 | 110.2 | V1041 T1042 A1048 L1049 | V1041-I1045 HydrophobicContact CG1-CD1 3.72Å; V1041-I1045 HydrophobicContact CG1-CG1 4.48Å; V1041-I1045 VanDerWaalsContact O-CG1 3.28Å; V1041-I1045 WeakPolarHBondContact O-CG1 3.27Å; V1041-I1045 PolarHBondContact O-N 3.18Å; T1042-I1045 PolarHBondContact O-N 3.42Å; I1045-A1048 PolarHBondContact O-N 3.28Å; I1045-L1049 HydrophobicContact CG2-CD1 3.98Å; I1045-L1049 WeakPolarHBondContact O-CB 3.16Å; I1045-L1049 WeakPolarHBondContact O-CG 3.36Å; I1045-L1049 PolarHBondContact O-N 2.99Å |
| 1046 | A | 73.9 | Confident | 73.3 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 15% | 0.149 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1042 A1043 A1048 L1050 F1112 M1127 | T1042-A1046 WeakPolarHBondContact O-CB 3.44Å; T1042-A1046 PolarHBondContact O-N 3.08Å; A1043-A1046 PolarHBondContact O-N 2.65Å; A1046-A1048 PolarHBondContact O-N 2.85Å; A1046-L1050 WeakPolarHBondContact O-CB 3.33Å; A1046-L1050 PolarHBondContact O-N 2.81Å; A1046-F1112 HydrophobicContact CB-CZ 4.11Å; A1046-F1112 WeakPolarHBondContact O-CE1 3.25Å; A1046-F1112 WeakPolarHBondContact O-CZ 3.44Å; A1046-M1127 HydrophobicContact CB-SD 3.93Å |
| 1047 | L | 81.1 | Confident | 74.3 | Confident | 59 Ų | 59 | 59 Ų | 59 | 31% | 0.309 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.3 | -36.4 | 179.5 | -163.2 | 152.2 | 0 | 0 | 0 | 112.1 | A1043 Y1044 L1050 S1051 T1131 | A1043-L1047 WeakPolarHBondContact O-CB 3.46Å; A1043-L1047 PolarHBondContact O-N 3.07Å; Y1044-L1047 PolarHBondContact O-N 2.73Å; L1047-L1050 PolarHBondContact O-N 3.31Å; L1047-S1051 WeakPolarHBondContact O-CB 3.48Å; L1047-S1051 PolarHBondContact O-N 3.24Å; L1047-T1131 HydrophobicContact CD1-CG2 4.4Å |
| 1048 | A | 79.9 | Confident | 75.1 | Confident | 52 Ų | 52 | 61.3 Ų | 61.3 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.6 | -48.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1044 I1045 A1046 L1050 S1051 V1052 | Y1044-A1048 VanDerWaalsContact O-CB 3.24Å; Y1044-A1048 WeakPolarHBondContact O-CB 3.32Å; Y1044-A1048 PolarHBondContact O-N 2.88Å; I1045-A1048 PolarHBondContact O-N 3.28Å; A1046-A1048 PolarHBondContact O-N 2.85Å; A1048-L1050 PolarHBondContact O-N 3.46Å; A1048-S1051 WeakPolarHBondContact O-CB 3.18Å; A1048-S1051 PolarHBondContact O-N 3.06Å; A1048-V1052 WeakPolarHBondContact O-CG2 3.47Å; A1048-V1052 PolarHBondContact O-N 3.49Å |
| 1049 | L | 77.7 | Confident | 75.9 | Confident | 87 Ų | 87 | 64.4 Ų | 64.4 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.8 | -33.6 | 175.3 | -72.9 | 170.9 | 0 | 0 | 0 | 111.9 | I1045 T1053 F1112 | I1045-L1049 HydrophobicContact CG2-CD1 3.98Å; I1045-L1049 WeakPolarHBondContact O-CB 3.16Å; I1045-L1049 WeakPolarHBondContact O-CG 3.36Å; I1045-L1049 PolarHBondContact O-N 2.99Å; L1049-T1053 WeakPolarHBondContact O-CB 3.4Å; L1049-T1053 WeakPolarHBondContact O-CG2 3.06Å; L1049-T1053 PolarHBondContact O-N 3.28Å; L1049-T1053 VanDerWaalsContact O-N 3.07Å; L1049-T1053 PolarHBondContact O-OG1 2.7Å; L1049-F1112 HydrophobicContact CB-CD1 4.11Å; L1049-F1112 HydrophobicContact CB-CE1 3.54Å; L1049-F1112 HydrophobicContact CB-CZ 4.44Å |
| 1050 | L | 77.1 | Confident | 76.1 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -75.4 | -39.6 | 179.1 | -168.6 | 62.1 | 0 | 0 | 0 | 111.3 | A1046 L1047 A1048 T1053 I1054 F1112 F1123 A1124 | A1046-L1050 WeakPolarHBondContact O-CB 3.33Å; A1046-L1050 PolarHBondContact O-N 2.81Å; L1047-L1050 PolarHBondContact O-N 3.31Å; A1048-L1050 PolarHBondContact O-N 3.46Å; L1050-T1053 WeakPolarHBondContact CA-OG1 3.1Å; L1050-T1053 PolarHBondContact O-N 3.32Å; L1050-T1053 PolarHBondContact O-OG1 2.89Å; L1050-T1053 VanDerWaalsContact O-OG1 3.06Å; L1050-I1054 HydrophobicContact CD1-CD1 4.15Å; L1050-I1054 HydrophobicContact CD1-CG1 4.46Å; L1050-I1054 HydrophobicContact CG-CD1 3.9Å; L1050-I1054 WeakPolarHBondContact O-CB 3.28Å; L1050-I1054 VanDerWaalsContact O-CG1 3.26Å; L1050-I1054 WeakPolarHBondContact O-CG1 3.35Å; L1050-I1054 PolarHBondContact O-N 3.2Å; L1050-F1112 HydrophobicContact CB-CD1 4.07Å; L1050-F1112 HydrophobicContact CB-CE1 3.65Å; L1050-F1112 HydrophobicContact CB-CZ 4.37Å; L1050-F1112 HydrophobicContact CD1-CD1 3.93Å; L1050-F1112 HydrophobicContact CD1-CE1 4.24Å; L1050-F1112 HydrophobicContact CD1-CG 4.3Å; L1050-F1123 HydrophobicContact CD1-CD1 4.25Å; L1050-F1123 HydrophobicContact CD2-CD1 3.71Å; L1050-F1123 HydrophobicContact CD2-CE1 4.26Å; L1050-A1124 VanDerWaalsContact CD2-CA 3.46Å; L1050-A1124 HydrophobicContact CD2-CB 3.59Å |
| 1051 | S | 81.4 | Confident | 76.4 | Confident | 66 Ų | 66 | 67.8 Ų | 67.8 | 46% | 0.462 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 172.1 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | L1047 A1048 S1055 | L1047-S1051 WeakPolarHBondContact O-CB 3.48Å; L1047-S1051 PolarHBondContact O-N 3.24Å; A1048-S1051 WeakPolarHBondContact O-CB 3.18Å; A1048-S1051 PolarHBondContact O-N 3.06Å; S1051-S1055 WeakPolarHBondContact O-CB 3.26Å; S1051-S1055 PolarHBondContact O-N 3.07Å; S1051-S1055 PolarHBondContact O-OG 3.14Å |
| 1052 | V | 81.1 | Confident | 76.9 | Confident | 100 Ų | 100 | 67.8 Ų | 67.8 | 61% | 0.606 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.8 | -45.4 | 178.4 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | A1048 S1055 F1056 | A1048-V1052 WeakPolarHBondContact O-CG2 3.47Å; A1048-V1052 PolarHBondContact O-N 3.49Å; V1052-S1055 PolarHBondContact O-N 2.96Å; V1052-F1056 WeakPolarHBondContact O-CB 3.36Å; V1052-F1056 PolarHBondContact O-N 2.69Å |
| 1053 | T | 77.2 | Confident | 77.2 | Confident | 25 Ų | 25 | 66 Ų | 66 | 15% | 0.153 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.5 | -43.4 | -179.3 | 43.4 | 0 | 0 | 0 | 0 | 112.8 | L1049 L1050 F1056 R1057 F1112 | L1049-T1053 WeakPolarHBondContact O-CB 3.4Å; L1049-T1053 WeakPolarHBondContact O-CG2 3.06Å; L1049-T1053 PolarHBondContact O-N 3.28Å; L1049-T1053 VanDerWaalsContact O-N 3.07Å; L1049-T1053 PolarHBondContact O-OG1 2.7Å; L1050-T1053 WeakPolarHBondContact CA-OG1 3.1Å; L1050-T1053 PolarHBondContact O-N 3.32Å; L1050-T1053 PolarHBondContact O-OG1 2.89Å; L1050-T1053 VanDerWaalsContact O-OG1 3.06Å; T1053-F1056 PolarHBondContact O-N 3.04Å; T1053-R1057 PolarHBondContact O-N 2.99Å; T1053-F1112 WeakPolarHBondContact CB-O 3.46Å; T1053-F1112 WeakPolarHBondContact CG2-O 3.22Å; T1053-F1112 PolarHBondContact OG1-O 3.11Å; T1053-F1112 VanDerWaalsContact OG1-O 3.06Å |
| 1054 | I | 78.4 | Confident | 76.8 | Confident | 31 Ų | 31 | 69 Ų | 69 | 16% | 0.159 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 172.6 | -69.1 | 171.8 | 0 | 0 | 0 | 110.4 | L1050 F1056 R1057 I1058 V1114 L1117 | L1050-I1054 HydrophobicContact CD1-CD1 4.15Å; L1050-I1054 HydrophobicContact CD1-CG1 4.46Å; L1050-I1054 HydrophobicContact CG-CD1 3.9Å; L1050-I1054 WeakPolarHBondContact O-CB 3.28Å; L1050-I1054 VanDerWaalsContact O-CG1 3.26Å; L1050-I1054 WeakPolarHBondContact O-CG1 3.35Å; L1050-I1054 PolarHBondContact O-N 3.2Å; I1054-F1056 PolarHBondContact O-N 3.29Å; I1054-R1057 PolarHBondContact O-N 3.04Å; I1054-I1058 HydrophobicContact CG2-CD1 3.71Å; I1054-I1058 HydrophobicContact CG2-CG1 4.38Å; I1054-I1058 WeakPolarHBondContact O-CG1 3.14Å; I1054-I1058 PolarHBondContact O-N 3.11Å; I1054-V1114 HydrophobicContact CG1-CG1 4.46Å; I1054-V1114 HydrophobicContact CG1-CG2 4Å; I1054-L1117 HydrophobicContact CG2-CD1 4.38Å |
| 1055 | S | 81.3 | Confident | 76.5 | Confident | 66 Ų | 66 | 65.7 Ų | 65.7 | 46% | 0.462 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 179.9 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | S1051 V1052 I1058 Y1059 | S1051-S1055 WeakPolarHBondContact O-CB 3.26Å; S1051-S1055 PolarHBondContact O-N 3.07Å; S1051-S1055 PolarHBondContact O-OG 3.14Å; V1052-S1055 PolarHBondContact O-N 2.96Å; S1055-I1058 PolarHBondContact O-N 3.08Å; S1055-Y1059 VanDerWaalsContact O-CB 3.29Å; S1055-Y1059 WeakPolarHBondContact O-CB 3.29Å; S1055-Y1059 PolarHBondContact O-N 3.01Å |
| 1056 | F | 77.2 | Confident | 76.3 | Confident | 79 Ų | 79 | 67.2 Ų | 67.2 | 35% | 0.346 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 175.3 | -173.7 | -79.6 | 0 | 0 | 0 | 112.2 | V1052 T1053 I1054 Y1059 R1060 F1075 | V1052-F1056 WeakPolarHBondContact O-CB 3.36Å; V1052-F1056 PolarHBondContact O-N 2.69Å; T1053-F1056 PolarHBondContact O-N 3.04Å; I1054-F1056 PolarHBondContact O-N 3.29Å; F1056-Y1059 PolarHBondContact O-N 3.39Å; F1056-R1060 HydrophobicContact CD1-CG 3.82Å; F1056-R1060 HydrophobicContact CE1-CG 3.52Å; F1056-R1060 HydrophobicContact CZ-CG 4.07Å; F1056-R1060 WeakPolarHBondContact O-CB 3.46Å; F1056-R1060 WeakPolarHBondContact O-CG 3.32Å; F1056-R1060 PolarHBondContact O-N 2.92Å; F1056-F1075 HydrophobicContact CB-CZ 4.08Å; F1056-F1075 HydrophobicContact CD1-CD1 4.43Å; F1056-F1075 AromaticContact CD1-CE1 3.41Å; F1056-F1075 HydrophobicContact CD1-CE1 3.41Å; F1056-F1075 VanDerWaalsContact CD1-CE1 3.41Å; F1056-F1075 AromaticContact CD1-CE2 3.96Å; F1056-F1075 HydrophobicContact CD1-CE2 3.96Å; F1056-F1075 AromaticContact CD1-CZ 3.13Å; F1056-F1075 HydrophobicContact CD1-CZ 3.13Å; F1056-F1075 HydrophobicContact CE1-CD1 4.15Å; F1056-F1075 AromaticContact CE1-CE1 3.39Å; F1056-F1075 HydrophobicContact CE1-CE1 3.39Å; F1056-F1075 AromaticContact CE1-CZ 3.66Å; F1056-F1075 HydrophobicContact CE1-CZ 3.66Å; F1056-F1075 HydrophobicContact CG-CE1 4.24Å; F1056-F1075 AromaticContact CG-CZ 3.83Å; F1056-F1075 HydrophobicContact CG-CZ 3.83Å; F1056-F1075 HydrophobicContact CZ-CE1 4.24Å |
| 1057 | R | 76.8 | Confident | 75.7 | Confident | 54 Ų | 54 | 72.5 Ų | 72.5 | 20% | 0.204 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 174.7 | -112.3 | -119.6 | -168.5 | 172.6 | 0.5 | 111.4 | T1053 I1054 G1061 H1073 F1075 V1114 D1115 | T1053-R1057 PolarHBondContact O-N 2.99Å; I1054-R1057 PolarHBondContact O-N 3.04Å; R1057-G1061 PolarHBondContact O-N 2.99Å; R1057-H1073 PolarHBondContact NE-CE1 2.97Å; R1057-H1073 VanDerWaalsContact NE-CE1 3.34Å; R1057-H1073 PolarHBondContact NH2-CD2 2.75Å; R1057-H1073 VanDerWaalsContact NH2-CD2 3.32Å; R1057-H1073 PolarHBondContact NH2-CE1 3.27Å; R1057-H1073 PolarHBondContact NH2-NE2 2.75Å; R1057-F1075 HydrophobicContact CB-CE2 4.45Å; R1057-F1075 HydrophobicContact CG-CD2 3.99Å; R1057-F1075 HydrophobicContact CG-CE2 3.76Å; R1057-V1114 HydrophobicContact CB-CB 4.35Å; R1057-V1114 HydrophobicContact CB-CG1 4.41Å; R1057-V1114 HydrophobicContact CB-CG2 4.32Å; R1057-V1114 HydrophobicContact CG-CB 3.84Å; R1057-V1114 HydrophobicContact CG-CG1 4.27Å; R1057-V1114 HydrophobicContact CG-CG2 4.13Å; R1057-V1114 PolarHBondContact NE-O 3.46Å; R1057-V1114 PolarHBondContact NH1-O 2.94Å; R1057-V1114 PolarHBondContact NH2-O 2.76Å; R1057-D1115 PolarHBondContact NH2-O 3.27Å |
| 1058 | I | 79.4 | Confident | 74.6 | Confident | 91 Ų | 91 | 79 Ų | 79 | 47% | 0.467 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.3 | -49.4 | 175.4 | -66.3 | 168.8 | 0 | 0 | 0 | 110.3 | I1054 S1055 R1060 G1061 V1062 | I1054-I1058 HydrophobicContact CG2-CD1 3.71Å; I1054-I1058 HydrophobicContact CG2-CG1 4.38Å; I1054-I1058 WeakPolarHBondContact O-CG1 3.14Å; I1054-I1058 PolarHBondContact O-N 3.11Å; S1055-I1058 PolarHBondContact O-N 3.08Å; I1058-R1060 PolarHBondContact O-N 2.83Å; I1058-G1061 PolarHBondContact O-N 2.85Å; I1058-G1061 VanDerWaalsContact O-N 3.17Å; I1058-V1062 HydrophobicContact CG2-CG2 4.29Å; I1058-V1062 WeakPolarHBondContact O-CB 3.32Å; I1058-V1062 WeakPolarHBondContact O-CG2 3.3Å; I1058-V1062 PolarHBondContact O-N 3.47Å |
| 1059 | Y | 79.6 | Confident | 73.1 | Confident | 142 Ų | 142 | 79.5 Ų | 79.5 | 56% | 0.557 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -55.2 | -48.3 | 177.1 | 173.7 | -102 | 0 | 0 | 0 | 112 | S1055 F1056 V1062 I1063 | S1055-Y1059 VanDerWaalsContact O-CB 3.29Å; S1055-Y1059 WeakPolarHBondContact O-CB 3.29Å; S1055-Y1059 PolarHBondContact O-N 3.01Å; F1056-Y1059 PolarHBondContact O-N 3.39Å; Y1059-V1062 PolarHBondContact O-N 3.25Å; Y1059-I1063 HydrophobicContact CD2-CG1 4.45Å; Y1059-I1063 HydrophobicContact CE1-CG1 4.24Å; Y1059-I1063 HydrophobicContact CE2-CD1 4.33Å; Y1059-I1063 HydrophobicContact CE2-CG1 4.1Å; Y1059-I1063 VanDerWaalsContact O-CG1 3.31Å; Y1059-I1063 WeakPolarHBondContact O-CG1 3.33Å; Y1059-I1063 PolarHBondContact O-N 2.86Å |
| 1060 | R | 71.3 | Confident | 71.7 | Confident | 120 Ų | 120 | 83 Ų | 83 | 45% | 0.453 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 176.3 | -75.8 | -69.5 | -176.4 | 169.4 | -1.8 | 112.7 | F1056 I1058 I1063 Q1064 P1074 | F1056-R1060 HydrophobicContact CD1-CG 3.82Å; F1056-R1060 HydrophobicContact CE1-CG 3.52Å; F1056-R1060 HydrophobicContact CZ-CG 4.07Å; F1056-R1060 WeakPolarHBondContact O-CB 3.46Å; F1056-R1060 WeakPolarHBondContact O-CG 3.32Å; F1056-R1060 PolarHBondContact O-N 2.92Å; I1058-R1060 PolarHBondContact O-N 2.83Å; R1060-I1063 PolarHBondContact O-N 3.44Å; R1060-Q1064 VanDerWaalsContact O-CB 3.28Å; R1060-Q1064 WeakPolarHBondContact O-CB 3.43Å; R1060-Q1064 PolarHBondContact O-N 2.82Å; R1060-P1074 HydrophobicContact CB-CB 3.84Å; R1060-P1074 HydrophobicContact CB-CG 3.75Å; R1060-P1074 HydrophobicContact CG-CB 3.92Å; R1060-P1074 HydrophobicContact CG-CG 4.3Å |
| 1061 | G | 72.7 | Confident | 70.4 | Confident | 33 Ų | 33 | 90.6 Ų | 90.6 | 34% | 0.34 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1057 I1058 Q1064 A1065 | R1057-G1061 PolarHBondContact O-N 2.99Å; I1058-G1061 PolarHBondContact O-N 2.85Å; I1058-G1061 VanDerWaalsContact O-N 3.17Å; G1061-Q1064 PolarHBondContact O-N 3.37Å; G1061-A1065 WeakPolarHBondContact O-CB 3.38Å; G1061-A1065 PolarHBondContact O-N 3.37Å |
| 1062 | V | 76.1 | Confident | 69.4 | Low | 75 Ų | 75 | 89 Ų | 89 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.2 | -46.5 | 174.5 | 169.1 | 0 | 0 | 0 | 0 | 111 | I1058 Y1059 Q1064 A1065 I1066 | I1058-V1062 HydrophobicContact CG2-CG2 4.29Å; I1058-V1062 WeakPolarHBondContact O-CB 3.32Å; I1058-V1062 WeakPolarHBondContact O-CG2 3.3Å; I1058-V1062 PolarHBondContact O-N 3.47Å; Y1059-V1062 PolarHBondContact O-N 3.25Å; V1062-Q1064 VanDerWaalsContact C-N 3.31Å; V1062-Q1064 PolarHBondContact O-N 2.83Å; V1062-A1065 PolarHBondContact O-N 3.49Å; V1062-I1066 HydrophobicContact CG1-CD1 3.73Å; V1062-I1066 WeakPolarHBondContact O-CB 3.24Å; V1062-I1066 WeakPolarHBondContact O-CD1 3.24Å; V1062-I1066 VanDerWaalsContact O-CG1 3.25Å; V1062-I1066 WeakPolarHBondContact O-CG1 3.48Å; V1062-I1066 PolarHBondContact O-N 3.48Å |
| 1063 | I | 75.4 | Confident | 68.1 | Low | 46 Ų | 46 | 86.5 Ų | 86.5 | 24% | 0.236 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 175.5 | -66.3 | -65.8 | 0 | 0 | 0 | 111.3 | Y1059 R1060 I1066 Q1067 | Y1059-I1063 HydrophobicContact CD2-CG1 4.45Å; Y1059-I1063 HydrophobicContact CE1-CG1 4.24Å; Y1059-I1063 HydrophobicContact CE2-CD1 4.33Å; Y1059-I1063 HydrophobicContact CE2-CG1 4.1Å; Y1059-I1063 VanDerWaalsContact O-CG1 3.31Å; Y1059-I1063 WeakPolarHBondContact O-CG1 3.33Å; Y1059-I1063 PolarHBondContact O-N 2.86Å; R1060-I1063 PolarHBondContact O-N 3.44Å; I1063-I1066 PolarHBondContact O-N 2.94Å; I1063-Q1067 HydrophobicContact CG2-CG 4.37Å; I1063-Q1067 WeakPolarHBondContact O-CB 3.41Å; I1063-Q1067 VanDerWaalsContact O-CG 3.32Å; I1063-Q1067 WeakPolarHBondContact O-CG 3.39Å; I1063-Q1067 PolarHBondContact O-N 3.39Å |
| 1064 | Q | 67.1 | Low | 67.1 | Low | 66 Ų | 66 | 87.5 Ų | 87.5 | 31% | 0.308 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 176.4 | -168.2 | 166.2 | 36.3 | 0 | 0 | 112 | R1060 G1061 V1062 I1066 Q1067 K1068 E1071 G1072 | R1060-Q1064 VanDerWaalsContact O-CB 3.28Å; R1060-Q1064 WeakPolarHBondContact O-CB 3.43Å; R1060-Q1064 PolarHBondContact O-N 2.82Å; G1061-Q1064 PolarHBondContact O-N 3.37Å; V1062-Q1064 VanDerWaalsContact C-N 3.31Å; V1062-Q1064 PolarHBondContact O-N 2.83Å; Q1064-I1066 VanDerWaalsContact C-N 3.33Å; Q1064-I1066 PolarHBondContact O-N 2.98Å; Q1064-Q1067 PolarHBondContact O-N 2.85Å; Q1064-K1068 PolarHBondContact O-N 2.84Å; Q1064-E1071 PolarHBondContact NE2-O 3.38Å; Q1064-G1072 PolarHBondContact NE2-O 2.91Å |
| 1065 | A | 67.5 | Low | 65.9 | Low | 76 Ų | 76 | 87.1 Ų | 87.1 | 63% | 0.628 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.7 | -36.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1061 V1062 | G1061-A1065 WeakPolarHBondContact O-CB 3.38Å; G1061-A1065 PolarHBondContact O-N 3.37Å; V1062-A1065 PolarHBondContact O-N 3.49Å |
| 1066 | I | 70.3 | Confident | 64.6 | Low | 123 Ų | 123 | 91.6 Ų | 91.6 | 63% | 0.631 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -71.3 | -39.8 | 175.4 | -69.3 | 165.3 | 0 | 0 | 0 | 111.3 | V1062 I1063 Q1064 | V1062-I1066 HydrophobicContact CG1-CD1 3.73Å; V1062-I1066 WeakPolarHBondContact O-CB 3.24Å; V1062-I1066 WeakPolarHBondContact O-CD1 3.24Å; V1062-I1066 VanDerWaalsContact O-CG1 3.25Å; V1062-I1066 WeakPolarHBondContact O-CG1 3.48Å; V1062-I1066 PolarHBondContact O-N 3.48Å; I1063-I1066 PolarHBondContact O-N 2.94Å; Q1064-I1066 VanDerWaalsContact C-N 3.33Å; Q1064-I1066 PolarHBondContact O-N 2.98Å |
| 1067 | Q | 61.9 | Low | 63.5 | Low | 130 Ų | 130 | 91.3 Ų | 91.3 | 61% | 0.607 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -87.8 | -13.7 | -174.1 | -69 | -178.8 | -4.2 | 0 | 0 | 114.6 | I1063 Q1064 S1069 | I1063-Q1067 HydrophobicContact CG2-CG 4.37Å; I1063-Q1067 WeakPolarHBondContact O-CB 3.41Å; I1063-Q1067 VanDerWaalsContact O-CG 3.32Å; I1063-Q1067 WeakPolarHBondContact O-CG 3.39Å; I1063-Q1067 PolarHBondContact O-N 3.39Å; Q1064-Q1067 PolarHBondContact O-N 2.85Å; Q1067-S1069 PolarHBondContact O-N 3.42Å; Q1067-S1069 VanDerWaalsContact O-N 3.09Å |
| 1068 | K | 58.2 | Low | 62.2 | Low | 194 Ų | 194 | 96.7 Ų | 96.7 | 84% | 0.843 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 22.5 | -179.9 | -62.8 | -172.6 | 175.8 | -177.5 | 0 | 114.9 | Q1064 | Q1064-K1068 PolarHBondContact O-N 2.84Š|
| 1069 | S | 48.3 | Very low | 60.9 | Low | 63 Ų | 63 | 94.7 Ų | 94.7 | 44% | 0.441 | 49% | 0.486 | S | S | . | . | | | trans | -89.1 | 112.7 | 178.7 | 34.7 | 0 | 0 | 0 | 0 | 110.9 | Q1067 E1071 | Q1067-S1069 PolarHBondContact O-N 3.42Å; Q1067-S1069 VanDerWaalsContact O-N 3.09Å; S1069-E1071 PolarHBondContact O-N 3.13Å |
| 1070 | D | 48.6 | Very low | 59.6 | Low | 162 Ų | 162 | 94.4 Ų | 94.4 | 87% | 0.866 | 49% | 0.489 | S | S | * | . | | | trans | -78.7 | 99.1 | 172.7 | -175.1 | 22.3 | 0 | 0 | 0 | 110.2 | | |
| 1071 | E | 48.9 | Very low | 58.2 | Low | 160 Ų | 160 | 92 Ų | 92 | 75% | 0.748 | 49% | 0.491 | S | S | * | . | | | trans | -163.2 | 103.2 | 155.1 | -173.2 | 56.4 | -102.7 | 0 | 0 | 110.8 | Q1064 S1069 | Q1064-E1071 PolarHBondContact NE2-O 3.38Å; S1069-E1071 PolarHBondContact O-N 3.13Å |
| 1072 | G | 61.2 | Low | 56.8 | Low | 34 Ų | 34 | 98.4 Ų | 98.4 | 35% | 0.351 | 51% | 0.512 | S | S | . | . | | | trans | 78.4 | 157.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | Q1064 | Q1064-G1072 PolarHBondContact NE2-O 2.91Š|
| 1073 | H | 53.7 | Low | 55.2 | Low | 46 Ų | 46 | 100.5 Ų | 100.5 | 21% | 0.213 | 53% | 0.525 | C | S | . | . | | | trans | -70.9 | 126.1 | 168.7 | 166.7 | 2.8 | 0 | 0 | 0 | 109.8 | R1057 F1075 R1076 | R1057-H1073 PolarHBondContact NE-CE1 2.97Å; R1057-H1073 VanDerWaalsContact NE-CE1 3.34Å; R1057-H1073 PolarHBondContact NH2-CD2 2.75Å; R1057-H1073 VanDerWaalsContact NH2-CD2 3.32Å; R1057-H1073 PolarHBondContact NH2-CE1 3.27Å; R1057-H1073 PolarHBondContact NH2-NE2 2.75Å; H1073-F1075 AromaticContact CE1-CD2 3.97Å; H1073-F1075 PolarHBondContact ND1-N 3.02Å; H1073-F1075 PolarHBondContact O-N 3.4Å; H1073-R1076 PolarHBondContact O-N 3.34Å; H1073-R1076 VanDerWaalsContact O-N 3.17Å |
| 1074 | P | 54.9 | Low | 53.5 | Low | 47 Ų | 47 | 102 Ų | 102 | 31% | 0.305 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 3.5 | -167.6 | 26.5 | -37.8 | 0 | 0 | 0 | 116.8 | R1060 | R1060-P1074 HydrophobicContact CB-CB 3.84Å; R1060-P1074 HydrophobicContact CB-CG 3.75Å; R1060-P1074 HydrophobicContact CG-CB 3.92Å; R1060-P1074 HydrophobicContact CG-CG 4.3Å |
| 1075 | F | 52.8 | Low | 52.1 | Low | 23 Ų | 23 | 102.2 Ų | 102.2 | 10% | 0.101 | 55% | 0.547 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | 11.3 | 176.6 | -64.8 | -57.2 | 0 | 0 | 0 | 113.8 | F1056 R1057 H1073 A1077 Y1078 L1079 L1113 | F1056-F1075 HydrophobicContact CB-CZ 4.08Å; F1056-F1075 HydrophobicContact CD1-CD1 4.43Å; F1056-F1075 AromaticContact CD1-CE1 3.41Å; F1056-F1075 HydrophobicContact CD1-CE1 3.41Å; F1056-F1075 VanDerWaalsContact CD1-CE1 3.41Å; F1056-F1075 AromaticContact CD1-CE2 3.96Å; F1056-F1075 HydrophobicContact CD1-CE2 3.96Å; F1056-F1075 AromaticContact CD1-CZ 3.13Å; F1056-F1075 HydrophobicContact CD1-CZ 3.13Å; F1056-F1075 HydrophobicContact CE1-CD1 4.15Å; F1056-F1075 AromaticContact CE1-CE1 3.39Å; F1056-F1075 HydrophobicContact CE1-CE1 3.39Å; F1056-F1075 AromaticContact CE1-CZ 3.66Å; F1056-F1075 HydrophobicContact CE1-CZ 3.66Å; F1056-F1075 HydrophobicContact CG-CE1 4.24Å; F1056-F1075 AromaticContact CG-CZ 3.83Å; F1056-F1075 HydrophobicContact CG-CZ 3.83Å; F1056-F1075 HydrophobicContact CZ-CE1 4.24Å; R1057-F1075 HydrophobicContact CB-CE2 4.45Å; R1057-F1075 HydrophobicContact CG-CD2 3.99Å; R1057-F1075 HydrophobicContact CG-CE2 3.76Å; H1073-F1075 AromaticContact CE1-CD2 3.97Å; H1073-F1075 PolarHBondContact ND1-N 3.02Å; H1073-F1075 PolarHBondContact O-N 3.4Å; F1075-A1077 PolarHBondContact O-N 2.92Å; F1075-Y1078 HydrophobicContact CD1-CD2 4.31Å; F1075-Y1078 CarbonylContact O-C 3.36Å; F1075-Y1078 VanDerWaalsContact O-CA 3.31Å; F1075-Y1078 WeakPolarHBondContact O-CA 3.34Å; F1075-Y1078 WeakPolarHBondContact O-CB 3.48Å; F1075-Y1078 PolarHBondContact O-N 2.74Å; F1075-L1079 PolarHBondContact O-N 3.07Å; F1075-L1113 HydrophobicContact CB-CD2 4.01Å; F1075-L1113 HydrophobicContact CB-CG 4.36Å; F1075-L1113 HydrophobicContact CD2-CG 4.43Å; F1075-L1113 HydrophobicContact CG-CG 4.45Å |
| 1076 | R | 54.1 | Low | 50.8 | Low | 159 Ų | 159 | 101.9 Ų | 101.9 | 60% | 0.6 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -55.5 | -45.4 | -174.1 | -148.8 | 177.3 | -167.2 | 167.2 | 5.6 | 113.4 | H1073 Y1078 L1079 E1080 | H1073-R1076 PolarHBondContact O-N 3.34Å; H1073-R1076 VanDerWaalsContact O-N 3.17Å; R1076-Y1078 VanDerWaalsContact C-N 3.27Å; R1076-Y1078 PolarHBondContact O-N 3.37Å; R1076-L1079 WeakPolarHBondContact O-CB 3.36Å; R1076-L1079 PolarHBondContact O-N 3.32Å; R1076-L1079 VanDerWaalsContact O-N 3.12Å; R1076-E1080 PolarHBondContact O-N 3.28Å; R1076-E1080 VanDerWaalsContact O-N 3.14Å |
| 1077 | A | 54 | Low | 49.6 | Very low | 74 Ų | 74 | 102.8 Ų | 102.8 | 61% | 0.612 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.4 | -25.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1075 S1081 | F1075-A1077 PolarHBondContact O-N 2.92Å; A1077-S1081 PolarHBondContact O-N 2.9Å |
| 1078 | Y | 51.4 | Low | 48.8 | Very low | 167 Ų | 167 | 104.4 Ų | 104.4 | 66% | 0.655 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -87.6 | -12.4 | 174.2 | -71.1 | -78.2 | 0 | 0 | 0 | 113.3 | F1075 R1076 R1109 L1113 | F1075-Y1078 HydrophobicContact CD1-CD2 4.31Å; F1075-Y1078 CarbonylContact O-C 3.36Å; F1075-Y1078 VanDerWaalsContact O-CA 3.31Å; F1075-Y1078 WeakPolarHBondContact O-CA 3.34Å; F1075-Y1078 WeakPolarHBondContact O-CB 3.48Å; F1075-Y1078 PolarHBondContact O-N 2.74Å; R1076-Y1078 VanDerWaalsContact C-N 3.27Å; R1076-Y1078 PolarHBondContact O-N 3.37Å; Y1078-R1109 PolarHBondContact O-NH2 2.88Å; Y1078-L1113 WeakPolarHBondContact O-CD2 3.26Å |
| 1079 | L | 51.1 | Low | 48.3 | Very low | 48 Ų | 48 | 102.2 Ų | 102.2 | 25% | 0.251 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -77.9 | -37.2 | 163.8 | -74.3 | 167.1 | 0 | 0 | 0 | 110.9 | F1075 R1076 R1109 L1113 | F1075-L1079 PolarHBondContact O-N 3.07Å; R1076-L1079 WeakPolarHBondContact O-CB 3.36Å; R1076-L1079 PolarHBondContact O-N 3.32Å; R1076-L1079 VanDerWaalsContact O-N 3.12Å; L1079-R1109 PolarHBondContact O-NH2 3Å; L1079-R1109 VanDerWaalsContact O-NH2 3.11Å; L1079-L1113 HydrophobicContact CD2-CB 3.79Å; L1079-L1113 HydrophobicContact CD2-CD2 3.65Å; L1079-L1113 HydrophobicContact CD2-CG 4.35Å; L1079-L1113 HydrophobicContact CG-CB 4.45Å; L1079-L1113 HydrophobicContact CG-CD2 3.78Å |
| 1080 | E | 52.3 | Low | 48.3 | Very low | 136 Ų | 136 | 100.7 Ų | 100.7 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -84.9 | -13.6 | -173 | -70.6 | 168.6 | -174.1 | 0 | 0 | 114.5 | R1076 E1082 | R1076-E1080 PolarHBondContact O-N 3.28Å; R1076-E1080 VanDerWaalsContact O-N 3.14Å; E1080-E1082 PolarHBondContact O-N 3.23Å |
| 1081 | S | 41.5 | Very low | 48.3 | Very low | 69 Ų | 69 | 99.4 Ų | 99.4 | 48% | 0.483 | 52% | 0.522 | S | S | . | . | | | trans | -71.7 | 110.1 | 175.4 | -172.9 | 0 | 0 | 0 | 0 | 111.6 | A1077 R1109 | A1077-S1081 PolarHBondContact O-N 2.9Å; S1081-R1109 PolarHBondContact O-NH1 3.46Å; S1081-R1109 PolarHBondContact O-NH2 3.23Å |
| 1082 | E | 43.8 | Very low | 48.3 | Very low | 168 Ų | 168 | 100.5 Ų | 100.5 | 79% | 0.785 | 52% | 0.524 | S | S | * | . | | | trans | -87.5 | 116.5 | -179.3 | -65.4 | -169.5 | 135.9 | 0 | 0 | 112.2 | E1080 | E1080-E1082 PolarHBondContact O-N 3.23Š|
| 1083 | V | 41.3 | Very low | 47.8 | Very low | 119 Ų | 119 | 109.3 Ų | 109.3 | 72% | 0.721 | 55% | 0.549 | S | S | * | . | | | trans | -108.4 | 65.4 | 158.5 | -171.8 | 0 | 0 | 0 | 0 | 108.2 | I1085 | V1083-I1085 PolarHBondContact O-N 2.83Š|
| 1084 | A | 40.8 | Very low | 47.7 | Very low | 77 Ų | 77 | 108.5 Ų | 108.5 | 64% | 0.636 | 55% | 0.548 | S | S | * | . | | | trans | -74 | 99.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108 | S1086 | A1084-S1086 PolarHBondContact O-N 3.42Š|
| 1085 | I | 38.6 | Very low | 47.5 | Very low | 72 Ų | 72 | 112.7 Ų | 112.7 | 37% | 0.369 | 57% | 0.568 | S | S | . | * | | | trans | -51.3 | 127.4 | 168.9 | -58.9 | 169 | 0 | 0 | 0 | 108.2 | L286 V287 V1083 E1087 | L286-I1085 HydrophobicContact CB-CD1 4.35Å; L286-I1085 HydrophobicContact CD1-CB 3.4Å; L286-I1085 HydrophobicContact CD1-CD1 4.36Å; L286-I1085 HydrophobicContact CD1-CG1 3.92Å; L286-I1085 HydrophobicContact CD2-CB 3.96Å; L286-I1085 HydrophobicContact CD2-CD1 3.96Å; L286-I1085 HydrophobicContact CD2-CG1 4.36Å; L286-I1085 HydrophobicContact CG-CB 4.17Å; L286-I1085 HydrophobicContact CG-CD1 4.38Å; L286-I1085 HydrophobicContact CG-CG1 4.47Å; V287-I1085 HydrophobicContact CB-CD1 4.14Å; V287-I1085 HydrophobicContact CG1-CD1 3.64Å; V1083-I1085 PolarHBondContact O-N 2.83Å; I1085-E1087 PolarHBondContact O-N 3.4Å |
| 1086 | S | 39.4 | Very low | 47.4 | Very low | 68 Ų | 68 | 115.5 Ų | 115.5 | 48% | 0.476 | 59% | 0.591 | S | S | . | * | | | trans | -51.3 | 130.9 | -161.8 | -177 | 0 | 0 | 0 | 0 | 114.2 | A1084 E1088 L1089 | A1084-S1086 PolarHBondContact O-N 3.42Å; S1086-E1088 PolarHBondContact O-N 3.17Å; S1086-E1088 VanDerWaalsContact O-N 3.08Å; S1086-E1088 PolarHBondContact OG-N 2.84Å; S1086-L1089 PolarHBondContact O-N 2.74Å |
| 1087 | E | 45.7 | Very low | 47.3 | Very low | 142 Ų | 142 | 111.7 Ų | 111.7 | 66% | 0.664 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -53 | -27.7 | 175.6 | -164.2 | 175.9 | 161.9 | 0 | 0 | 112.6 | I1085 L1089 V1090 Q1091 | I1085-E1087 PolarHBondContact O-N 3.4Å; E1087-L1089 VanDerWaalsContact C-N 3.27Å; E1087-L1089 PolarHBondContact O-N 3.21Å; E1087-V1090 WeakPolarHBondContact O-CB 3.24Å; E1087-V1090 PolarHBondContact O-N 3.34Å; E1087-Q1091 PolarHBondContact O-N 2.92Å |
| 1088 | E | 44.3 | Very low | 47.4 | Very low | 164 Ų | 164 | 111 Ų | 111 | 77% | 0.766 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.6 | -27.6 | -179.7 | -62 | -169 | 153.7 | 0 | 0 | 114.2 | S1086 | S1086-E1088 PolarHBondContact O-N 3.17Å; S1086-E1088 VanDerWaalsContact O-N 3.08Å; S1086-E1088 PolarHBondContact OG-N 2.84Å |
| 1089 | L | 47.7 | Very low | 47.7 | Very low | 149 Ų | 149 | 103.1 Ų | 103.1 | 78% | 0.78 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -85.4 | -28.3 | 174.2 | -142.9 | 78.9 | 0 | 0 | 0 | 112.2 | S1086 E1087 | S1086-L1089 PolarHBondContact O-N 2.74Å; E1087-L1089 VanDerWaalsContact C-N 3.27Å; E1087-L1089 PolarHBondContact O-N 3.21Å |
| 1090 | V | 49.3 | Very low | 47.8 | Very low | 31 Ų | 31 | 105.5 Ų | 105.5 | 19% | 0.188 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -69.6 | -45.5 | -179.5 | -177.5 | 0 | 0 | 0 | 0 | 111 | E1087 K1092 Y1093 S1094 L1098 | E1087-V1090 WeakPolarHBondContact O-CB 3.24Å; E1087-V1090 PolarHBondContact O-N 3.34Å; V1090-K1092 PolarHBondContact O-N 2.79Å; V1090-Y1093 PolarHBondContact O-N 3.22Å; V1090-S1094 PolarHBondContact O-N 3.48Å; V1090-L1098 HydrophobicContact CB-CD2 4.14Å; V1090-L1098 HydrophobicContact CG1-CB 4.31Å; V1090-L1098 HydrophobicContact CG1-CD2 3.62Å; V1090-L1098 HydrophobicContact CG2-CD2 3.54Å |
| 1091 | Q | 47.3 | Very low | 48.1 | Very low | 135 Ų | 135 | 101.2 Ų | 101.2 | 63% | 0.631 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -16.8 | -165.5 | -154 | 173.5 | 48.8 | 0 | 0 | 114.6 | E1087 | E1087-Q1091 PolarHBondContact O-N 2.92Š|
| 1092 | K | 50.3 | Low | 49.2 | Very low | 182 Ų | 182 | 100.1 Ų | 100.1 | 79% | 0.791 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -17.7 | 175.6 | -89.2 | -177.9 | 176.3 | 170.9 | 0 | 115.8 | V1090 | V1090-K1092 PolarHBondContact O-N 2.79Š|
| 1093 | Y | 50.4 | Low | 49.8 | Very low | 219 Ų | 219 | 94.3 Ų | 94.3 | 86% | 0.859 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139 | -3.8 | -172.5 | -82.3 | -72.5 | 0 | 0 | 0 | 116.2 | V1090 | V1090-Y1093 PolarHBondContact O-N 3.22Š|
| 1094 | S | 50.1 | Low | 50.6 | Low | 29 Ų | 29 | 91.8 Ų | 91.8 | 20% | 0.203 | 49% | 0.492 | C | S | . | . | | | trans | -153.6 | 135 | 172.8 | -111.4 | 0 | 0 | 0 | 0 | 116 | V1090 L1098 | V1090-S1094 PolarHBondContact O-N 3.48Å; S1094-L1098 PolarHBondContact OG-N 3.11Å |
| 1095 | N | 51.6 | Low | 51.8 | Low | 136 Ų | 136 | 90.4 Ų | 90.4 | 73% | 0.727 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -143.2 | 34.9 | 164.9 | -78.4 | -85.7 | 0 | 0 | 0 | 109.6 | | |
| 1096 | S | 50.9 | Low | 53 | Low | 82 Ų | 82 | 93.5 Ų | 93.5 | 57% | 0.573 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -167.3 | -35 | 176.4 | -145.5 | 0 | 0 | 0 | 0 | 115 | G1099 | S1096-G1099 CarbonylContact O-C 3.58Å; S1096-G1099 WeakPolarHBondContact O-CA 3.37Å; S1096-G1099 PolarHBondContact O-N 2.67Å; S1096-G1099 VanDerWaalsContact O-N 3.14Å |
| 1097 | A | 50.7 | Low | 54 | Low | 79 Ų | 79 | 94.7 Ų | 94.7 | 65% | 0.653 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -89.4 | -50.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G1099 | A1097-G1099 PolarHBondContact O-N 2.9Š|
| 1098 | L | 56.8 | Low | 54.8 | Low | 60 Ų | 60 | 90.4 Ų | 90.4 | 31% | 0.314 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -71.2 | 43.9 | 144.4 | -124.3 | 79.5 | 0 | 0 | 0 | 109.9 | T284 P285 L286 V1090 S1094 | T284-L1098 VanDerWaalsContact CB-O 3.27Å; T284-L1098 WeakPolarHBondContact CB-O 3.42Å; T284-L1098 VanDerWaalsContact CG2-CA 3.4Å; T284-L1098 HydrophobicContact CG2-CB 4.25Å; T284-L1098 HydrophobicContact CG2-CG 4.18Å; T284-L1098 VanDerWaalsContact CG2-O 3.26Å; T284-L1098 WeakPolarHBondContact CG2-O 2.83Å; T284-L1098 PolarHBondContact OG1-O 3.08Å; P285-L1098 HydrophobicContact CB-CD1 4.49Å; P285-L1098 HydrophobicContact CB-CD2 3.89Å; P285-L1098 HydrophobicContact CB-CG 3.72Å; L286-L1098 HydrophobicContact CD2-CD2 4.35Å; V1090-L1098 HydrophobicContact CB-CD2 4.14Å; V1090-L1098 HydrophobicContact CG1-CB 4.31Å; V1090-L1098 HydrophobicContact CG1-CD2 3.62Å; V1090-L1098 HydrophobicContact CG2-CD2 3.54Å; S1094-L1098 PolarHBondContact OG-N 3.11Å |
| 1099 | G | 58.2 | Low | 55.9 | Low | 1 Ų | 1 | 86.7 Ų | 86.7 | 1% | 0.01 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -130.3 | 12.2 | 175 | 0 | 0 | 0 | 0 | 0 | 118.3 | E283 T284 S1096 A1097 | E283-G1099 WeakPolarHBondContact CA-O 3.36Å; E283-G1099 PolarHBondContact N-O 3.32Å; T284-G1099 VanDerWaalsContact OG1-C 3.28Å; T284-G1099 WeakPolarHBondContact OG1-CA 3.06Å; T284-G1099 PolarHBondContact OG1-N 3.44Å; T284-G1099 VanDerWaalsContact OG1-N 3.15Å; S1096-G1099 CarbonylContact O-C 3.58Å; S1096-G1099 WeakPolarHBondContact O-CA 3.37Å; S1096-G1099 PolarHBondContact O-N 2.67Å; S1096-G1099 VanDerWaalsContact O-N 3.14Å; A1097-G1099 PolarHBondContact O-N 2.9Å |
| 1100 | H | 52.6 | Low | 56.7 | Low | 98 Ų | 98 | 84.9 Ų | 84.9 | 45% | 0.454 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -146.9 | 13.8 | 175.8 | -78.6 | 96.2 | 0 | 0 | 0 | 117.5 | A282 E283 T1104 | A282-H1100 PolarHBondContact N-NE2 2.99Å; E283-H1100 PolarHBondContact N-CD2 2.88Å; E283-H1100 CarbonylContact O-C 3.09Å; E283-H1100 WeakPolarHBondContact O-CA 3.34Å; H1100-T1104 PolarHBondContact O-OG1 2.76Å |
| 1101 | V | 59.6 | Low | 57.4 | Low | 45 Ų | 45 | 85 Ų | 85 | 27% | 0.273 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -118.5 | 1.8 | -160 | -153.8 | 0 | 0 | 0 | 0 | 119.5 | E283 T284 P285 T1104 I1105 | E283-V1101 PolarHBondContact O-N 3.45Å; E283-V1101 VanDerWaalsContact O-N 3.16Å; T284-V1101 VanDerWaalsContact CA-N 3.29Å; T284-V1101 HydrophobicContact CG2-CB 3.7Å; T284-V1101 HydrophobicContact CG2-CG2 3.8Å; P285-V1101 CarbonylContact C-O 3.31Å; P285-V1101 CarbonylContact O-C 3.59Å; P285-V1101 VanDerWaalsContact O-C 3.25Å; V1101-T1104 VanDerWaalsContact C-N 3.27Å; V1101-T1104 CarbonylContact O-C 3.58Å; V1101-T1104 PolarHBondContact O-N 3.34Å; V1101-I1105 HydrophobicContact CG1-CD1 4Å; V1101-I1105 HydrophobicContact CG1-CG1 4.14Å; V1101-I1105 PolarHBondContact O-N 2.87Å |
| 1102 | N | 63.4 | Low | 57.9 | Low | 47 Ų | 47 | 80 Ų | 80 | 25% | 0.251 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -122.7 | 24.3 | 155.8 | -95.5 | -21.9 | 0 | 0 | 0 | 108.5 | E283 T284 P285 L286 I1105 K1106 | E283-N1102 PolarHBondContact O-N 2.92Å; T284-N1102 WeakPolarHBondContact O-CB 3.29Å; P285-N1102 VanDerWaalsContact N-CB 3.25Å; P285-N1102 WeakPolarHBondContact O-CB 3.47Å; P285-N1102 PolarHBondContact O-N 3.33Å; P285-N1102 PolarHBondContact O-ND2 2.8Å; P285-N1102 PolarHBondContact O-OD1 2.94Å; L286-N1102 PolarHBondContact O-ND2 3.04Å; L286-N1102 PolarHBondContact O-OD1 3.09Å; N1102-I1105 WeakPolarHBondContact OD1-CA 3.16Å; N1102-I1105 VanDerWaalsContact OD1-CB 3.31Å; N1102-I1105 WeakPolarHBondContact OD1-CB 3.13Å; N1102-K1106 HydrophobicContact CB-CB 3.6Å; N1102-K1106 HydrophobicContact CB-CD 4.29Å; N1102-K1106 WeakPolarHBondContact O-CB 3.2Å; N1102-K1106 WeakPolarHBondContact O-CD 3.31Å; N1102-K1106 WeakPolarHBondContact OD1-CA 3.12Å; N1102-K1106 WeakPolarHBondContact OD1-CB 3.1Å; N1102-K1106 PolarHBondContact OD1-N 3.3Å |
| 1103 | C | 57.7 | Low | 58.3 | Low | 45 Ų | 45 | 72.7 Ų | 72.7 | 30% | 0.304 | 37% | 0.371 | S | S | . | . | H | α-helix | | -57.3 | -86.3 | 102.9 | -69.2 | 0 | 0 | 0 | 0 | 109.4 | A282 E283 I1105 K1106 E1107 | A282-C1103 PolarHBondContact O-SG 2.87Å; E283-C1103 PolarHBondContact O-N 2.93Å; C1103-I1105 PolarHBondContact O-N 3.45Å; C1103-K1106 PolarHBondContact O-N 2.83Å; C1103-E1107 VanDerWaalsContact C-OE2 3.27Å; C1103-E1107 WeakPolarHBondContact CB-OE2 3.15Å; C1103-E1107 WeakPolarHBondContact O-CB 3.27Å; C1103-E1107 VanDerWaalsContact O-CG 3.31Å; C1103-E1107 WeakPolarHBondContact O-CG 3.33Å; C1103-E1107 PolarHBondContact O-N 3.36Å |
| 1104 | T | 57.6 | Low | 58.7 | Low | 67 Ų | 67 | 62.3 Ų | 62.3 | 41% | 0.411 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -45.1 | -50.5 | -162.1 | -37.6 | 0 | 0 | 0 | 0 | 116.7 | H1100 V1101 L1108 | H1100-T1104 PolarHBondContact O-OG1 2.76Å; V1101-T1104 VanDerWaalsContact C-N 3.27Å; V1101-T1104 CarbonylContact O-C 3.58Å; V1101-T1104 PolarHBondContact O-N 3.34Å; T1104-L1108 HydrophobicContact CG2-CD1 4.13Å; T1104-L1108 WeakPolarHBondContact O-CB 3.05Å; T1104-L1108 WeakPolarHBondContact O-CD1 3.02Å; T1104-L1108 WeakPolarHBondContact O-CG 2.96Å; T1104-L1108 PolarHBondContact O-N 2.92Å |
| 1105 | I | 65.7 | Low | 59 | Low | 48 Ų | 48 | 64.5 Ų | 64.5 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -88.2 | -16.4 | -174.6 | -56.7 | 168.1 | 0 | 0 | 0 | 113.1 | L286 V287 V1101 N1102 C1103 L1108 R1109 | L286-I1105 VanDerWaalsContact C-CD1 3.41Å; L286-I1105 VanDerWaalsContact O-CB 3.28Å; L286-I1105 WeakPolarHBondContact O-CB 3.21Å; L286-I1105 WeakPolarHBondContact O-CG2 3.16Å; V287-I1105 HydrophobicContact CG2-CD1 4.19Å; V1101-I1105 HydrophobicContact CG1-CD1 4Å; V1101-I1105 HydrophobicContact CG1-CG1 4.14Å; V1101-I1105 PolarHBondContact O-N 2.87Å; N1102-I1105 WeakPolarHBondContact OD1-CA 3.16Å; N1102-I1105 VanDerWaalsContact OD1-CB 3.31Å; N1102-I1105 WeakPolarHBondContact OD1-CB 3.13Å; C1103-I1105 PolarHBondContact O-N 3.45Å; I1105-L1108 HydrophobicContact CB-CD1 4.39Å; I1105-L1108 HydrophobicContact CG1-CD1 3.89Å; I1105-R1109 WeakPolarHBondContact O-CB 3.34Å; I1105-R1109 PolarHBondContact O-N 3.23Å |
| 1106 | K | 64.6 | Low | 59.3 | Low | 137 Ų | 137 | 61.8 Ų | 61.8 | 60% | 0.596 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -86.4 | -33.9 | 174.2 | -167.9 | 173.2 | -177.7 | 173.1 | 0 | 108.8 | N1102 C1103 R1110 | N1102-K1106 HydrophobicContact CB-CB 3.6Å; N1102-K1106 HydrophobicContact CB-CD 4.29Å; N1102-K1106 WeakPolarHBondContact O-CB 3.2Å; N1102-K1106 WeakPolarHBondContact O-CD 3.31Å; N1102-K1106 WeakPolarHBondContact OD1-CA 3.12Å; N1102-K1106 WeakPolarHBondContact OD1-CB 3.1Å; N1102-K1106 PolarHBondContact OD1-N 3.3Å; C1103-K1106 PolarHBondContact O-N 2.83Å; K1106-R1110 VanDerWaalsContact O-CB 3.27Å; K1106-R1110 WeakPolarHBondContact O-CB 3.45Å; K1106-R1110 PolarHBondContact O-N 3.4Å |
| 1107 | E | 59.9 | Low | 59.9 | Low | 92 Ų | 92 | 61.8 Ų | 61.8 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.1 | -48.3 | 164 | -67.2 | 178.6 | 136.9 | 0 | 0 | 110.5 | C1103 R1109 R1110 L1111 | C1103-E1107 VanDerWaalsContact C-OE2 3.27Å; C1103-E1107 WeakPolarHBondContact CB-OE2 3.15Å; C1103-E1107 WeakPolarHBondContact O-CB 3.27Å; C1103-E1107 VanDerWaalsContact O-CG 3.31Å; C1103-E1107 WeakPolarHBondContact O-CG 3.33Å; C1103-E1107 PolarHBondContact O-N 3.36Å; E1107-R1109 PolarHBondContact O-N 3.12Å; E1107-R1110 WeakPolarHBondContact O-CB 3.28Å; E1107-R1110 PolarHBondContact O-N 2.93Å; E1107-R1110 VanDerWaalsContact O-N 3.12Å; E1107-L1111 WeakPolarHBondContact O-CB 3.49Å; E1107-L1111 VanDerWaalsContact O-CD1 3.3Å; E1107-L1111 WeakPolarHBondContact O-CD1 3.33Å; E1107-L1111 PolarHBondContact O-N 2.81Å |
| 1108 | L | 61.4 | Low | 60.6 | Low | 53 Ų | 53 | 62 Ų | 62 | 28% | 0.277 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -54.9 | -52.2 | 170.3 | -71.8 | 155.2 | 0 | 0 | 0 | 109.2 | T1104 I1105 R1110 L1111 F1112 F1123 | T1104-L1108 HydrophobicContact CG2-CD1 4.13Å; T1104-L1108 WeakPolarHBondContact O-CB 3.05Å; T1104-L1108 WeakPolarHBondContact O-CD1 3.02Å; T1104-L1108 WeakPolarHBondContact O-CG 2.96Å; T1104-L1108 PolarHBondContact O-N 2.92Å; I1105-L1108 HydrophobicContact CB-CD1 4.39Å; I1105-L1108 HydrophobicContact CG1-CD1 3.89Å; L1108-R1110 VanDerWaalsContact C-N 3.28Å; L1108-R1110 PolarHBondContact O-N 2.8Å; L1108-L1111 CarbonylContact O-C 3.56Å; L1108-L1111 WeakPolarHBondContact O-CA 3.03Å; L1108-L1111 PolarHBondContact O-N 2.84Å; L1108-F1112 HydrophobicContact CB-CD2 4.13Å; L1108-F1112 HydrophobicContact CB-CE2 4.39Å; L1108-F1112 HydrophobicContact CD2-CD2 4.33Å; L1108-F1112 HydrophobicContact CD2-CE2 3.85Å; L1108-F1112 VanDerWaalsContact O-CB 3.31Å; L1108-F1112 WeakPolarHBondContact O-CB 2.91Å; L1108-F1112 VanDerWaalsContact O-CD2 3.25Å; L1108-F1112 WeakPolarHBondContact O-CD2 3.49Å; L1108-F1112 PolarHBondContact O-N 3.31Å; L1108-F1123 HydrophobicContact CD2-CE1 4.04Å; L1108-F1123 HydrophobicContact CD2-CE2 4Å; L1108-F1123 HydrophobicContact CD2-CZ 3.35Å |
| 1109 | R | 67.8 | Low | 61.1 | Low | 85 Ų | 85 | 61.4 Ų | 61.4 | 32% | 0.321 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -53.7 | -41.3 | 176.5 | -174.4 | -179.5 | -176.6 | 171.4 | 5.8 | 112.8 | Y1078 L1079 S1081 I1105 E1107 F1112 L1113 | Y1078-R1109 PolarHBondContact O-NH2 2.88Å; L1079-R1109 PolarHBondContact O-NH2 3Å; L1079-R1109 VanDerWaalsContact O-NH2 3.11Å; S1081-R1109 PolarHBondContact O-NH1 3.46Å; S1081-R1109 PolarHBondContact O-NH2 3.23Å; I1105-R1109 WeakPolarHBondContact O-CB 3.34Å; I1105-R1109 PolarHBondContact O-N 3.23Å; E1107-R1109 PolarHBondContact O-N 3.12Å; R1109-F1112 PolarHBondContact O-N 3.09Å; R1109-L1113 HydrophobicContact CG-CD1 4.4Å; R1109-L1113 WeakPolarHBondContact O-CB 3.3Å; R1109-L1113 PolarHBondContact O-N 3.47Å |
| 1110 | R | 65.9 | Low | 61.7 | Low | 111 Ų | 111 | 61.4 Ų | 61.4 | 42% | 0.419 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 175.8 | -168.5 | 175.1 | 74.1 | 96.5 | 2.2 | 112.2 | K1106 E1107 L1108 F1112 D1115 | K1106-R1110 VanDerWaalsContact O-CB 3.27Å; K1106-R1110 WeakPolarHBondContact O-CB 3.45Å; K1106-R1110 PolarHBondContact O-N 3.4Å; E1107-R1110 WeakPolarHBondContact O-CB 3.28Å; E1107-R1110 PolarHBondContact O-N 2.93Å; E1107-R1110 VanDerWaalsContact O-N 3.12Å; L1108-R1110 VanDerWaalsContact C-N 3.28Å; L1108-R1110 PolarHBondContact O-N 2.8Å; R1110-F1112 VanDerWaalsContact C-N 3.35Å; R1110-D1115 HydrophobicContact CG-CB 3.88Å; R1110-D1115 PolarHBondContact O-N 3.44Å |
| 1111 | L | 63.1 | Low | 62.9 | Low | 35 Ų | 35 | 61.9 Ų | 61.9 | 18% | 0.183 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -76.2 | -19.2 | 177.3 | -85.7 | 52.9 | 0 | 0 | 0 | 112.8 | E1107 L1108 S1120 F1123 | E1107-L1111 WeakPolarHBondContact O-CB 3.49Å; E1107-L1111 VanDerWaalsContact O-CD1 3.3Å; E1107-L1111 WeakPolarHBondContact O-CD1 3.33Å; E1107-L1111 PolarHBondContact O-N 2.81Å; L1108-L1111 CarbonylContact O-C 3.56Å; L1108-L1111 WeakPolarHBondContact O-CA 3.03Å; L1108-L1111 PolarHBondContact O-N 2.84Å; L1111-S1120 WeakPolarHBondContact O-CB 3.37Å; L1111-S1120 PolarHBondContact O-OG 3.2Å; L1111-F1123 HydrophobicContact CB-CB 4.29Å; L1111-F1123 HydrophobicContact CB-CD1 4.23Å; L1111-F1123 HydrophobicContact CB-CG 4.14Å; L1111-F1123 HydrophobicContact CD2-CB 4Å; L1111-F1123 HydrophobicContact CD2-CD2 3.72Å; L1111-F1123 HydrophobicContact CD2-CE2 4.43Å; L1111-F1123 HydrophobicContact CD2-CG 3.87Å; L1111-F1123 HydrophobicContact CG-CB 4.24Å; L1111-F1123 HydrophobicContact CG-CG 4.38Å |
| 1112 | F | 57.3 | Low | 63.9 | Low | 30 Ų | 30 | 65.1 Ų | 65.1 | 13% | 0.132 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -93.3 | -38.2 | 175 | -90.2 | -85.5 | 0 | 0 | 0 | 112.8 | A1046 L1049 L1050 T1053 L1108 R1109 R1110 V1114 F1123 | A1046-F1112 HydrophobicContact CB-CZ 4.11Å; A1046-F1112 WeakPolarHBondContact O-CE1 3.25Å; A1046-F1112 WeakPolarHBondContact O-CZ 3.44Å; L1049-F1112 HydrophobicContact CB-CD1 4.11Å; L1049-F1112 HydrophobicContact CB-CE1 3.54Å; L1049-F1112 HydrophobicContact CB-CZ 4.44Å; L1050-F1112 HydrophobicContact CB-CD1 4.07Å; L1050-F1112 HydrophobicContact CB-CE1 3.65Å; L1050-F1112 HydrophobicContact CB-CZ 4.37Å; L1050-F1112 HydrophobicContact CD1-CD1 3.93Å; L1050-F1112 HydrophobicContact CD1-CE1 4.24Å; L1050-F1112 HydrophobicContact CD1-CG 4.3Å; T1053-F1112 WeakPolarHBondContact CB-O 3.46Å; T1053-F1112 WeakPolarHBondContact CG2-O 3.22Å; T1053-F1112 PolarHBondContact OG1-O 3.11Å; T1053-F1112 VanDerWaalsContact OG1-O 3.06Å; L1108-F1112 HydrophobicContact CB-CD2 4.13Å; L1108-F1112 HydrophobicContact CB-CE2 4.39Å; L1108-F1112 HydrophobicContact CD2-CD2 4.33Å; L1108-F1112 HydrophobicContact CD2-CE2 3.85Å; L1108-F1112 VanDerWaalsContact O-CB 3.31Å; L1108-F1112 WeakPolarHBondContact O-CB 2.91Å; L1108-F1112 VanDerWaalsContact O-CD2 3.25Å; L1108-F1112 WeakPolarHBondContact O-CD2 3.49Å; L1108-F1112 PolarHBondContact O-N 3.31Å; R1109-F1112 PolarHBondContact O-N 3.09Å; R1110-F1112 VanDerWaalsContact C-N 3.35Å; F1112-V1114 VanDerWaalsContact O-CG2 3.28Å; F1112-V1114 WeakPolarHBondContact O-CG2 3.23Å; F1112-V1114 PolarHBondContact O-N 2.9Å; F1112-F1123 HydrophobicContact CD2-CE1 4.15Å; F1112-F1123 AromaticContact CE2-CE1 3.57Å; F1112-F1123 HydrophobicContact CE2-CE1 3.57Å; F1112-F1123 HydrophobicContact CE2-CZ 4.21Å; F1112-F1123 HydrophobicContact CZ-CE1 4.03Å |
| 1113 | L | 58.2 | Low | 64.3 | Low | 28 Ų | 28 | 63.8 Ų | 63.8 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 7.8 | 175.5 | -91.9 | 68.8 | 0 | 0 | 0 | 113.8 | F1075 Y1078 L1079 R1109 D1115 | F1075-L1113 HydrophobicContact CB-CD2 4.01Å; F1075-L1113 HydrophobicContact CB-CG 4.36Å; F1075-L1113 HydrophobicContact CD2-CG 4.43Å; F1075-L1113 HydrophobicContact CG-CG 4.45Å; Y1078-L1113 WeakPolarHBondContact O-CD2 3.26Å; L1079-L1113 HydrophobicContact CD2-CB 3.79Å; L1079-L1113 HydrophobicContact CD2-CD2 3.65Å; L1079-L1113 HydrophobicContact CD2-CG 4.35Å; L1079-L1113 HydrophobicContact CG-CB 4.45Å; L1079-L1113 HydrophobicContact CG-CD2 3.78Å; R1109-L1113 HydrophobicContact CG-CD1 4.4Å; R1109-L1113 WeakPolarHBondContact O-CB 3.3Å; R1109-L1113 PolarHBondContact O-N 3.47Å; L1113-D1115 VanDerWaalsContact C-N 3.3Å; L1113-D1115 PolarHBondContact O-N 3.14Å |
| 1114 | V | 59.8 | Low | 65.3 | Low | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 27.5 | 166.8 | -158.7 | 0 | 0 | 0 | 0 | 113.3 | I1054 R1057 F1112 D1116 L1117 S1120 | I1054-V1114 HydrophobicContact CG1-CG1 4.46Å; I1054-V1114 HydrophobicContact CG1-CG2 4Å; R1057-V1114 HydrophobicContact CB-CB 4.35Å; R1057-V1114 HydrophobicContact CB-CG1 4.41Å; R1057-V1114 HydrophobicContact CB-CG2 4.32Å; R1057-V1114 HydrophobicContact CG-CB 3.84Å; R1057-V1114 HydrophobicContact CG-CG1 4.27Å; R1057-V1114 HydrophobicContact CG-CG2 4.13Å; R1057-V1114 PolarHBondContact NE-O 3.46Å; R1057-V1114 PolarHBondContact NH1-O 2.94Å; R1057-V1114 PolarHBondContact NH2-O 2.76Å; F1112-V1114 VanDerWaalsContact O-CG2 3.28Å; F1112-V1114 WeakPolarHBondContact O-CG2 3.23Å; F1112-V1114 PolarHBondContact O-N 2.9Å; V1114-D1116 CarbonylContact O-C 3.42Å; V1114-D1116 VanDerWaalsContact O-C 3.31Å; V1114-D1116 PolarHBondContact O-N 3.49Å; V1114-D1116 VanDerWaalsContact O-N 3.11Å; V1114-L1117 HydrophobicContact CG1-CB 4.09Å; V1114-L1117 HydrophobicContact CG1-CD1 3.53Å; V1114-L1117 HydrophobicContact CG1-CG 4.43Å; V1114-L1117 PolarHBondContact O-N 2.8Å; V1114-S1120 VanDerWaalsContact CA-OG 3.29Å; V1114-S1120 WeakPolarHBondContact CA-OG 3.43Å |
| 1115 | D | 55.6 | Low | 66.3 | Low | 75 Ų | 75 | 63.1 Ų | 63.1 | 40% | 0.401 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -46 | -50.7 | -170.3 | -154.5 | 12.8 | 0 | 0 | 0 | 111.2 | R1057 R1110 L1113 | R1057-D1115 PolarHBondContact NH2-O 3.27Å; R1110-D1115 HydrophobicContact CG-CB 3.88Å; R1110-D1115 PolarHBondContact O-N 3.44Å; L1113-D1115 VanDerWaalsContact C-N 3.3Å; L1113-D1115 PolarHBondContact O-N 3.14Å |
| 1116 | D | 58.2 | Low | 66.8 | Low | 80 Ų | 80 | 66.1 Ų | 66.1 | 43% | 0.428 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -109.1 | 126.3 | 152.9 | -171.7 | -16.4 | 0 | 0 | 0 | 110.6 | V1114 V1118 D1119 S1120 | V1114-D1116 CarbonylContact O-C 3.42Å; V1114-D1116 VanDerWaalsContact O-C 3.31Å; V1114-D1116 PolarHBondContact O-N 3.49Å; V1114-D1116 VanDerWaalsContact O-N 3.11Å; D1116-V1118 PolarHBondContact O-N 3.4Å; D1116-V1118 WeakPolarHBondContact OD1-CB 3.39Å; D1116-V1118 PolarHBondContact OD1-N 3.39Å; D1116-D1119 HydrophobicContact CB-CB 4.35Å; D1116-D1119 PolarHBondContact O-N 3.3Å; D1116-S1120 PolarHBondContact O-N 3.16Å; D1116-S1120 VanDerWaalsContact O-N 3.14Å |
| 1117 | L | 64.4 | Low | 67.4 | Low | 82 Ų | 82 | 61.3 Ų | 61.3 | 43% | 0.429 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.4 | -31.9 | 176.7 | -178.3 | 66.6 | 0 | 0 | 0 | 112.4 | I1054 V1114 L1121 | I1054-L1117 HydrophobicContact CG2-CD1 4.38Å; V1114-L1117 HydrophobicContact CG1-CB 4.09Å; V1114-L1117 HydrophobicContact CG1-CD1 3.53Å; V1114-L1117 HydrophobicContact CG1-CG 4.43Å; V1114-L1117 PolarHBondContact O-N 2.8Å; L1117-L1121 WeakPolarHBondContact O-CB 3.35Å; L1117-L1121 PolarHBondContact O-N 3.04Å |
| 1118 | V | 65.2 | Low | 68.4 | Low | 83 Ų | 83 | 64.6 Ų | 64.6 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -71.3 | -38.4 | -179.5 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | D1116 L1121 K1122 | D1116-V1118 PolarHBondContact O-N 3.4Å; D1116-V1118 WeakPolarHBondContact OD1-CB 3.39Å; D1116-V1118 PolarHBondContact OD1-N 3.39Å; V1118-L1121 PolarHBondContact O-N 2.74Å; V1118-K1122 WeakPolarHBondContact O-CG 3.23Å; V1118-K1122 PolarHBondContact O-N 2.75Å |
| 1119 | D | 67.4 | Low | 69 | Low | 48 Ų | 48 | 65.1 Ų | 65.1 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -74.1 | -35.6 | 176.4 | -81.3 | -2.1 | 0 | 0 | 0 | 112.1 | D1116 L1121 K1122 F1123 | D1116-D1119 HydrophobicContact CB-CB 4.35Å; D1116-D1119 PolarHBondContact O-N 3.3Å; D1119-L1121 VanDerWaalsContact C-N 3.33Å; D1119-L1121 PolarHBondContact O-N 3.41Å; D1119-K1122 PolarHBondContact O-N 3.14Å; D1119-K1122 IonicContact OD1-NZ 2.64Å; D1119-K1122 PolarHBondContact OD1-NZ 2.77Å; D1119-F1123 WeakPolarHBondContact O-CB 3.37Å; D1119-F1123 PolarHBondContact O-N 3.08Å |
| 1120 | S | 71.4 | Confident | 68.9 | Low | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.007 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.7 | -34.9 | 169.3 | -67.1 | 0 | 0 | 0 | 0 | 113.3 | L1111 V1114 D1116 F1123 A1124 | L1111-S1120 WeakPolarHBondContact O-CB 3.37Å; L1111-S1120 PolarHBondContact O-OG 3.2Å; V1114-S1120 VanDerWaalsContact CA-OG 3.29Å; V1114-S1120 WeakPolarHBondContact CA-OG 3.43Å; D1116-S1120 PolarHBondContact O-N 3.16Å; D1116-S1120 VanDerWaalsContact O-N 3.14Å; S1120-F1123 PolarHBondContact O-N 3.36Å; S1120-A1124 WeakPolarHBondContact O-CB 3.07Å; S1120-A1124 PolarHBondContact O-N 2.95Å |
| 1121 | L | 77.3 | Confident | 69.2 | Low | 107 Ų | 107 | 61.4 Ų | 61.4 | 56% | 0.56 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -69.6 | -39.8 | 174.7 | -176.1 | 60.9 | 0 | 0 | 0 | 111.6 | L1117 V1118 D1119 F1123 A1124 V1125 | L1117-L1121 WeakPolarHBondContact O-CB 3.35Å; L1117-L1121 PolarHBondContact O-N 3.04Å; V1118-L1121 PolarHBondContact O-N 2.74Å; D1119-L1121 VanDerWaalsContact C-N 3.33Å; D1119-L1121 PolarHBondContact O-N 3.41Å; L1121-F1123 VanDerWaalsContact C-N 3.3Å; L1121-F1123 PolarHBondContact O-N 2.63Å; L1121-A1124 PolarHBondContact O-N 3.46Å; L1121-V1125 WeakPolarHBondContact O-CG2 3.48Å; L1121-V1125 PolarHBondContact O-N 3.17Å |
| 1122 | K | 79.4 | Confident | 69.3 | Low | 114 Ų | 114 | 66 Ų | 66 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.1 | -44.1 | 169.1 | -68.4 | 167.1 | -163.2 | 154.2 | 0 | 110.8 | V1118 D1119 V1125 L1126 | V1118-K1122 WeakPolarHBondContact O-CG 3.23Å; V1118-K1122 PolarHBondContact O-N 2.75Å; D1119-K1122 PolarHBondContact O-N 3.14Å; D1119-K1122 IonicContact OD1-NZ 2.64Å; D1119-K1122 PolarHBondContact OD1-NZ 2.77Å; K1122-V1125 PolarHBondContact O-N 2.94Å; K1122-L1126 WeakPolarHBondContact O-CG 3.26Å; K1122-L1126 PolarHBondContact O-N 3.38Å |
| 1123 | F | 72.1 | Confident | 69.7 | Low | 19 Ų | 19 | 67.5 Ų | 67.5 | 8% | 0.083 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.5 | -36.4 | 177.9 | -173.1 | -111 | 0 | 0 | 0 | 112.8 | L1050 L1108 L1111 F1112 D1119 S1120 L1121 V1125 L1126 M1127 | L1050-F1123 HydrophobicContact CD1-CD1 4.25Å; L1050-F1123 HydrophobicContact CD2-CD1 3.71Å; L1050-F1123 HydrophobicContact CD2-CE1 4.26Å; L1108-F1123 HydrophobicContact CD2-CE1 4.04Å; L1108-F1123 HydrophobicContact CD2-CE2 4Å; L1108-F1123 HydrophobicContact CD2-CZ 3.35Å; L1111-F1123 HydrophobicContact CB-CB 4.29Å; L1111-F1123 HydrophobicContact CB-CD1 4.23Å; L1111-F1123 HydrophobicContact CB-CG 4.14Å; L1111-F1123 HydrophobicContact CD2-CB 4Å; L1111-F1123 HydrophobicContact CD2-CD2 3.72Å; L1111-F1123 HydrophobicContact CD2-CE2 4.43Å; L1111-F1123 HydrophobicContact CD2-CG 3.87Å; L1111-F1123 HydrophobicContact CG-CB 4.24Å; L1111-F1123 HydrophobicContact CG-CG 4.38Å; F1112-F1123 HydrophobicContact CD2-CE1 4.15Å; F1112-F1123 AromaticContact CE2-CE1 3.57Å; F1112-F1123 HydrophobicContact CE2-CE1 3.57Å; F1112-F1123 HydrophobicContact CE2-CZ 4.21Å; F1112-F1123 HydrophobicContact CZ-CE1 4.03Å; D1119-F1123 WeakPolarHBondContact O-CB 3.37Å; D1119-F1123 PolarHBondContact O-N 3.08Å; S1120-F1123 PolarHBondContact O-N 3.36Å; L1121-F1123 VanDerWaalsContact C-N 3.3Å; L1121-F1123 PolarHBondContact O-N 2.63Å; F1123-V1125 VanDerWaalsContact C-N 3.35Å; F1123-L1126 PolarHBondContact O-N 3.17Å; F1123-M1127 HydrophobicContact CD1-CG 4.19Å; F1123-M1127 HydrophobicContact CE1-CG 3.64Å; F1123-M1127 HydrophobicContact CE1-SD 4.36Å; F1123-M1127 HydrophobicContact CE2-CE 3.86Å; F1123-M1127 HydrophobicContact CE2-CG 4.07Å; F1123-M1127 HydrophobicContact CE2-SD 4.44Å; F1123-M1127 HydrophobicContact CZ-CE 3.81Å; F1123-M1127 HydrophobicContact CZ-CG 3.56Å; F1123-M1127 HydrophobicContact CZ-SD 3.83Å; F1123-M1127 WeakPolarHBondContact O-CB 3.47Å; F1123-M1127 WeakPolarHBondContact O-CG 3.34Å; F1123-M1127 PolarHBondContact O-N 3.4Å |
| 1124 | A | 79.4 | Confident | 70 | Confident | 23 Ų | 23 | 67.2 Ų | 67.2 | 19% | 0.19 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1050 S1120 L1121 M1127 W1128 | L1050-A1124 VanDerWaalsContact CD2-CA 3.46Å; L1050-A1124 HydrophobicContact CD2-CB 3.59Å; S1120-A1124 WeakPolarHBondContact O-CB 3.07Å; S1120-A1124 PolarHBondContact O-N 2.95Å; L1121-A1124 PolarHBondContact O-N 3.46Å; A1124-M1127 PolarHBondContact O-N 3.46Å; A1124-W1128 VanDerWaalsContact O-CB 3.24Å; A1124-W1128 WeakPolarHBondContact O-CB 3.5Å; A1124-W1128 PolarHBondContact O-N 3.35Å |
| 1125 | V | 79.3 | Confident | 70.4 | Confident | 74 Ų | 74 | 71 Ų | 71 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 174.1 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | L1121 K1122 F1123 W1128 V1129 | L1121-V1125 WeakPolarHBondContact O-CG2 3.48Å; L1121-V1125 PolarHBondContact O-N 3.17Å; K1122-V1125 PolarHBondContact O-N 2.94Å; F1123-V1125 VanDerWaalsContact C-N 3.35Å; V1125-W1128 PolarHBondContact O-N 2.79Å; V1125-V1129 HydrophobicContact CG1-CG2 4.47Å; V1125-V1129 WeakPolarHBondContact O-CB 3.33Å; V1125-V1129 VanDerWaalsContact O-CG2 3.3Å; V1125-V1129 WeakPolarHBondContact O-CG2 3.42Å; V1125-V1129 PolarHBondContact O-N 3.43Å |
| 1126 | L | 75.6 | Confident | 70.4 | Confident | 112 Ų | 112 | 72.4 Ų | 72.4 | 59% | 0.586 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.4 | -43.1 | 174.6 | -72.1 | 170.5 | 0 | 0 | 0 | 112.4 | K1122 F1123 V1129 F1130 | K1122-L1126 WeakPolarHBondContact O-CG 3.26Å; K1122-L1126 PolarHBondContact O-N 3.38Å; F1123-L1126 PolarHBondContact O-N 3.17Å; L1126-V1129 PolarHBondContact O-N 2.93Å; L1126-F1130 WeakPolarHBondContact O-CB 3.33Å; L1126-F1130 PolarHBondContact O-N 2.81Å |
| 1127 | M | 76.3 | Confident | 70.2 | Confident | 36 Ų | 36 | 73.4 Ų | 73.4 | 18% | 0.177 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.8 | -36.9 | 174.2 | -74.4 | -69.2 | 104.3 | 0 | 0 | 112.1 | A1046 F1123 A1124 F1130 T1131 | A1046-M1127 HydrophobicContact CB-SD 3.93Å; F1123-M1127 HydrophobicContact CD1-CG 4.19Å; F1123-M1127 HydrophobicContact CE1-CG 3.64Å; F1123-M1127 HydrophobicContact CE1-SD 4.36Å; F1123-M1127 HydrophobicContact CE2-CE 3.86Å; F1123-M1127 HydrophobicContact CE2-CG 4.07Å; F1123-M1127 HydrophobicContact CE2-SD 4.44Å; F1123-M1127 HydrophobicContact CZ-CE 3.81Å; F1123-M1127 HydrophobicContact CZ-CG 3.56Å; F1123-M1127 HydrophobicContact CZ-SD 3.83Å; F1123-M1127 WeakPolarHBondContact O-CB 3.47Å; F1123-M1127 WeakPolarHBondContact O-CG 3.34Å; F1123-M1127 PolarHBondContact O-N 3.4Å; A1124-M1127 PolarHBondContact O-N 3.46Å; M1127-F1130 HydrophobicContact CE-CB 4.48Å; M1127-F1130 CarbonylContact O-C 3.41Å; M1127-F1130 WeakPolarHBondContact O-CB 3.26Å; M1127-F1130 PolarHBondContact O-N 3.45Å; M1127-T1131 PolarHBondContact O-N 2.82Å |
| 1128 | W | 81 | Confident | 70.3 | Confident | 160 Ų | 160 | 72.5 Ų | 72.5 | 61% | 0.606 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.1 | -45.4 | 173.9 | 178.4 | 72.8 | 0 | 0 | 0 | 111.8 | A1124 V1125 F1130 T1131 Y1132 | A1124-W1128 VanDerWaalsContact O-CB 3.24Å; A1124-W1128 WeakPolarHBondContact O-CB 3.5Å; A1124-W1128 PolarHBondContact O-N 3.35Å; V1125-W1128 PolarHBondContact O-N 2.79Å; W1128-F1130 PolarHBondContact O-N 2.91Å; W1128-T1131 WeakPolarHBondContact CA-OG1 3.43Å; W1128-T1131 PolarHBondContact O-N 2.74Å; W1128-T1131 VanDerWaalsContact O-N 3.11Å; W1128-T1131 PolarHBondContact O-OG1 2.81Å; W1128-Y1132 PolarHBondContact O-N 3.47Å |
| 1129 | V | 74.9 | Confident | 70.4 | Confident | 64 Ų | 64 | 69.8 Ų | 69.8 | 39% | 0.388 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60 | -36 | 170.3 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | V1125 L1126 Y1132 V1133 | V1125-V1129 HydrophobicContact CG1-CG2 4.47Å; V1125-V1129 WeakPolarHBondContact O-CB 3.33Å; V1125-V1129 VanDerWaalsContact O-CG2 3.3Å; V1125-V1129 WeakPolarHBondContact O-CG2 3.42Å; V1125-V1129 PolarHBondContact O-N 3.43Å; L1126-V1129 PolarHBondContact O-N 2.93Å; V1129-Y1132 PolarHBondContact O-N 2.91Å; V1129-V1133 HydrophobicContact CG1-CG2 4.32Å; V1129-V1133 WeakPolarHBondContact O-CB 3.43Å; V1129-V1133 WeakPolarHBondContact O-CG2 3.31Å; V1129-V1133 PolarHBondContact O-N 3.49Å |
| 1130 | F | 65 | Low | 70.6 | Confident | 98 Ų | 98 | 68 Ų | 68 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 173.9 | -166.7 | -97.5 | 0 | 0 | 0 | 112.6 | V1039 A1043 L1126 M1127 W1128 Y1132 V1133 G1134 | V1039-F1130 HydrophobicContact CG1-CE1 3.82Å; V1039-F1130 HydrophobicContact CG1-CZ 4Å; A1043-F1130 HydrophobicContact CB-CD1 3.88Å; A1043-F1130 HydrophobicContact CB-CE1 4.29Å; L1126-F1130 WeakPolarHBondContact O-CB 3.33Å; L1126-F1130 PolarHBondContact O-N 2.81Å; M1127-F1130 HydrophobicContact CE-CB 4.48Å; M1127-F1130 CarbonylContact O-C 3.41Å; M1127-F1130 WeakPolarHBondContact O-CB 3.26Å; M1127-F1130 PolarHBondContact O-N 3.45Å; W1128-F1130 PolarHBondContact O-N 2.91Å; F1130-Y1132 VanDerWaalsContact C-N 3.31Å; F1130-Y1132 PolarHBondContact O-N 3.37Å; F1130-V1133 PolarHBondContact O-N 2.83Å; F1130-G1134 PolarHBondContact O-N 3.27Å |
| 1131 | T | 71.9 | Confident | 70.9 | Confident | 21 Ų | 21 | 70.6 Ų | 70.6 | 13% | 0.129 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.8 | -35.8 | 170 | 59.1 | 0 | 0 | 0 | 0 | 112.2 | A1043 Y1044 L1047 M1127 W1128 G1134 A1135 | A1043-T1131 HydrophobicContact CB-CG2 3.68Å; Y1044-T1131 HydrophobicContact CD1-CG2 4.35Å; Y1044-T1131 HydrophobicContact CE1-CG2 4.2Å; L1047-T1131 HydrophobicContact CD1-CG2 4.4Å; M1127-T1131 PolarHBondContact O-N 2.82Å; W1128-T1131 WeakPolarHBondContact CA-OG1 3.43Å; W1128-T1131 PolarHBondContact O-N 2.74Å; W1128-T1131 VanDerWaalsContact O-N 3.11Å; W1128-T1131 PolarHBondContact O-OG1 2.81Å; T1131-G1134 PolarHBondContact O-N 3.34Å; T1131-A1135 WeakPolarHBondContact O-CB 3.3Å; T1131-A1135 PolarHBondContact O-N 2.78Å; T1131-A1135 VanDerWaalsContact O-N 3.11Å |
| 1132 | Y | 66 | Low | 70.9 | Confident | 131 Ų | 131 | 69 Ų | 69 | 51% | 0.514 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71.2 | -41.2 | 176.2 | -175.2 | -117.5 | 0 | 0 | 0 | 112.4 | W1128 V1129 F1130 G1134 A1135 L1136 | W1128-Y1132 PolarHBondContact O-N 3.47Å; V1129-Y1132 PolarHBondContact O-N 2.91Å; F1130-Y1132 VanDerWaalsContact C-N 3.31Å; F1130-Y1132 PolarHBondContact O-N 3.37Å; Y1132-G1134 VanDerWaalsContact C-N 3.32Å; Y1132-G1134 PolarHBondContact O-N 3.49Å; Y1132-A1135 PolarHBondContact O-N 2.69Å; Y1132-A1135 VanDerWaalsContact O-N 3.09Å; Y1132-L1136 HydrophobicContact CD1-CD1 3.92Å; Y1132-L1136 HydrophobicContact CD1-CG 4.32Å; Y1132-L1136 HydrophobicContact CD2-CG 4.44Å; Y1132-L1136 HydrophobicContact CE1-CD1 3.38Å; Y1132-L1136 HydrophobicContact CE1-CG 3.95Å; Y1132-L1136 HydrophobicContact CE2-CD1 4.39Å; Y1132-L1136 HydrophobicContact CE2-CD2 4.2Å; Y1132-L1136 HydrophobicContact CE2-CG 4.06Å; Y1132-L1136 PolarHBondContact O-N 3.35Å |
| 1133 | V | 65.9 | Low | 70.9 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 38% | 0.376 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 171.9 | 168.4 | 0 | 0 | 0 | 0 | 110.7 | V1129 F1130 A1135 F1137 | V1129-V1133 HydrophobicContact CG1-CG2 4.32Å; V1129-V1133 WeakPolarHBondContact O-CB 3.43Å; V1129-V1133 WeakPolarHBondContact O-CG2 3.31Å; V1129-V1133 PolarHBondContact O-N 3.49Å; F1130-V1133 PolarHBondContact O-N 2.83Å; V1133-A1135 PolarHBondContact O-N 2.79Å; V1133-F1137 CarbonylContact O-C 3.53Å; V1133-F1137 PolarHBondContact O-N 3.11Å |
| 1134 | G | 64.9 | Low | 71.5 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 23% | 0.227 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.9 | -8.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | F1130 T1131 Y1132 F1137 | F1130-G1134 PolarHBondContact O-N 3.27Å; T1131-G1134 PolarHBondContact O-N 3.34Å; Y1132-G1134 VanDerWaalsContact C-N 3.32Å; Y1132-G1134 PolarHBondContact O-N 3.49Å; G1134-F1137 CarbonylContact C-O 3.36Å; G1134-F1137 VanDerWaalsContact CA-O 3.26Å; G1134-F1137 WeakPolarHBondContact CA-O 3.41Å; G1134-F1137 VanDerWaalsContact O-O 3.09Å |
| 1135 | A | 67.1 | Low | 71.6 | Confident | 80 Ų | 80 | 71.7 Ų | 71.7 | 66% | 0.661 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -102.5 | -39.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1131 Y1132 V1133 | T1131-A1135 WeakPolarHBondContact O-CB 3.3Å; T1131-A1135 PolarHBondContact O-N 2.78Å; T1131-A1135 VanDerWaalsContact O-N 3.11Å; Y1132-A1135 PolarHBondContact O-N 2.69Å; Y1132-A1135 VanDerWaalsContact O-N 3.09Å; V1133-A1135 PolarHBondContact O-N 2.79Å |
| 1136 | L | 56.8 | Low | 71.8 | Confident | 104 Ų | 104 | 70.9 Ų | 70.9 | 55% | 0.545 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.5 | -45 | 174.4 | -76.8 | -175 | 0 | 0 | 0 | 112 | Y1132 | Y1132-L1136 HydrophobicContact CD1-CD1 3.92Å; Y1132-L1136 HydrophobicContact CD1-CG 4.32Å; Y1132-L1136 HydrophobicContact CD2-CG 4.44Å; Y1132-L1136 HydrophobicContact CE1-CD1 3.38Å; Y1132-L1136 HydrophobicContact CE1-CG 3.95Å; Y1132-L1136 HydrophobicContact CE2-CD1 4.39Å; Y1132-L1136 HydrophobicContact CE2-CD2 4.2Å; Y1132-L1136 HydrophobicContact CE2-CG 4.06Å; Y1132-L1136 PolarHBondContact O-N 3.35Å |
| 1137 | F | 53.4 | Low | 72.3 | Confident | 100 Ų | 100 | 66.6 Ų | 66.6 | 44% | 0.439 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -112.7 | 129.7 | 167.4 | -59 | -86.9 | 0 | 0 | 0 | 106.3 | V1133 G1134 G1139 L1142 | V1133-F1137 CarbonylContact O-C 3.53Å; V1133-F1137 PolarHBondContact O-N 3.11Å; G1134-F1137 CarbonylContact C-O 3.36Å; G1134-F1137 VanDerWaalsContact CA-O 3.26Å; G1134-F1137 WeakPolarHBondContact CA-O 3.41Å; G1134-F1137 VanDerWaalsContact O-O 3.09Å; F1137-G1139 PolarHBondContact O-N 3.46Å; F1137-L1142 HydrophobicContact CB-CD1 3.79Å; F1137-L1142 HydrophobicContact CB-CG 4Å; F1137-L1142 HydrophobicContact CD1-CD1 3.71Å; F1137-L1142 HydrophobicContact CD1-CD2 3.76Å; F1137-L1142 HydrophobicContact CD1-CG 3.68Å; F1137-L1142 HydrophobicContact CD2-CD1 3.91Å; F1137-L1142 HydrophobicContact CE1-CD1 4.25Å; F1137-L1142 HydrophobicContact CE1-CD2 3.99Å; F1137-L1142 HydrophobicContact CE1-CG 4.35Å; F1137-L1142 HydrophobicContact CE2-CD1 4.43Å; F1137-L1142 HydrophobicContact CG-CD1 3.52Å; F1137-L1142 HydrophobicContact CG-CD2 4.42Å; F1137-L1142 HydrophobicContact CG-CG 3.89Å |
| 1138 | N | 66.1 | Low | 72.8 | Confident | 64 Ų | 64 | 67.6 Ų | 67.6 | 34% | 0.342 | 37% | 0.366 | S | S | . | . | | | trans | -57.3 | 102.5 | 152 | 177.8 | -26.1 | 0 | 0 | 0 | 104.9 | T1034 L1140 T1141 | T1034-N1138 WeakPolarHBondContact CG2-ND2 3.33Å; N1138-L1140 PolarHBondContact O-N 2.82Å; N1138-L1140 PolarHBondContact OD1-N 3.41Å; N1138-T1141 HydrophobicContact CB-CG2 3.89Å; N1138-T1141 PolarHBondContact O-N 3.38Å; N1138-T1141 PolarHBondContact O-OG1 3.41Å |
| 1139 | G | 67.9 | Low | 73 | Confident | 25 Ų | 25 | 62.9 Ų | 62.9 | 26% | 0.258 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59 | -21.8 | -162.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1137 L1142 L1143 | F1137-G1139 PolarHBondContact O-N 3.46Å; G1139-L1142 PolarHBondContact O-N 3.45Å; G1139-L1143 PolarHBondContact O-N 2.88Å |
| 1140 | L | 71.9 | Confident | 73.5 | Confident | 12 Ų | 12 | 64.3 Ų | 64.3 | 6% | 0.063 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -77.9 | -24.6 | 174.7 | -160.5 | 146.1 | 0 | 0 | 0 | 113.6 | L1030 L1033 T1034 N1138 L1142 L1143 I1144 | L1030-L1140 HydrophobicContact CB-CD2 3.86Å; L1030-L1140 HydrophobicContact CG-CD2 4.14Å; L1030-L1140 HydrophobicContact CG-CG 4.47Å; L1030-L1140 WeakPolarHBondContact O-CD2 3.17Å; L1033-L1140 HydrophobicContact CB-CD1 3.35Å; L1033-L1140 HydrophobicContact CD2-CD1 4.35Å; T1034-L1140 HydrophobicContact CG2-CB 4.1Å; T1034-L1140 HydrophobicContact CG2-CD2 3.6Å; T1034-L1140 HydrophobicContact CG2-CG 4.46Å; N1138-L1140 PolarHBondContact O-N 2.82Å; N1138-L1140 PolarHBondContact OD1-N 3.41Å; L1140-L1142 VanDerWaalsContact C-N 3.32Å; L1140-L1143 CarbonylContact O-C 3.44Å; L1140-L1143 WeakPolarHBondContact O-CA 3.44Å; L1140-L1143 WeakPolarHBondContact O-CB 3.42Å; L1140-L1143 PolarHBondContact O-N 2.74Å; L1140-L1143 VanDerWaalsContact O-N 3.14Å; L1140-I1144 HydrophobicContact CD2-CD1 3.59Å; L1140-I1144 HydrophobicContact CD2-CG1 3.8Å; L1140-I1144 WeakPolarHBondContact O-CB 3.46Å; L1140-I1144 WeakPolarHBondContact O-CG1 3.35Å; L1140-I1144 PolarHBondContact O-N 3.49Å |
| 1141 | T | 76.3 | Confident | 74.4 | Confident | 55 Ų | 55 | 60.4 Ų | 60.4 | 34% | 0.337 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.3 | -32.8 | 169.1 | 66.2 | 0 | 0 | 0 | 0 | 111.9 | T1034 N1138 I1144 L1145 | T1034-T1141 HydrophobicContact CG2-CG2 3.84Å; N1138-T1141 HydrophobicContact CB-CG2 3.89Å; N1138-T1141 PolarHBondContact O-N 3.38Å; N1138-T1141 PolarHBondContact O-OG1 3.41Å; T1141-I1144 PolarHBondContact O-N 2.84Å; T1141-L1145 WeakPolarHBondContact O-CB 3.16Å; T1141-L1145 VanDerWaalsContact O-CG 3.27Å; T1141-L1145 WeakPolarHBondContact O-CG 3.1Å; T1141-L1145 PolarHBondContact O-N 2.89Å |
| 1142 | L | 77 | Confident | 74.9 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 38% | 0.382 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 167.7 | -73.7 | -179.1 | 0 | 0 | 0 | 111.7 | F1137 G1139 L1140 L1145 A1146 | F1137-L1142 HydrophobicContact CB-CD1 3.79Å; F1137-L1142 HydrophobicContact CB-CG 4Å; F1137-L1142 HydrophobicContact CD1-CD1 3.71Å; F1137-L1142 HydrophobicContact CD1-CD2 3.76Å; F1137-L1142 HydrophobicContact CD1-CG 3.68Å; F1137-L1142 HydrophobicContact CD2-CD1 3.91Å; F1137-L1142 HydrophobicContact CE1-CD1 4.25Å; F1137-L1142 HydrophobicContact CE1-CD2 3.99Å; F1137-L1142 HydrophobicContact CE1-CG 4.35Å; F1137-L1142 HydrophobicContact CE2-CD1 4.43Å; F1137-L1142 HydrophobicContact CG-CD1 3.52Å; F1137-L1142 HydrophobicContact CG-CD2 4.42Å; F1137-L1142 HydrophobicContact CG-CG 3.89Å; G1139-L1142 PolarHBondContact O-N 3.45Å; L1140-L1142 VanDerWaalsContact C-N 3.32Å; L1142-L1145 HydrophobicContact CD2-CD1 4.48Å; L1142-L1145 PolarHBondContact O-N 3.49Å; L1142-A1146 WeakPolarHBondContact O-CB 3.45Å; L1142-A1146 PolarHBondContact O-N 2.8Å |
| 1143 | L | 79.8 | Confident | 75.7 | Confident | 95 Ų | 95 | 59.4 Ų | 59.4 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.5 | -37 | 174.6 | -166.5 | 68.4 | 0 | 0 | 0 | 112.3 | L1030 G1139 L1140 A1146 L1147 | L1030-L1143 HydrophobicContact CD1-CD2 4.48Å; L1030-L1143 HydrophobicContact CD2-CB 4.32Å; L1030-L1143 HydrophobicContact CD2-CD2 4.09Å; L1030-L1143 HydrophobicContact CD2-CG 3.89Å; L1030-L1143 HydrophobicContact CG-CD2 4.19Å; G1139-L1143 PolarHBondContact O-N 2.88Å; L1140-L1143 CarbonylContact O-C 3.44Å; L1140-L1143 WeakPolarHBondContact O-CA 3.44Å; L1140-L1143 WeakPolarHBondContact O-CB 3.42Å; L1140-L1143 PolarHBondContact O-N 2.74Å; L1140-L1143 VanDerWaalsContact O-N 3.14Å; L1143-A1146 PolarHBondContact O-N 3.24Å; L1143-L1147 WeakPolarHBondContact O-CB 3.49Å; L1143-L1147 PolarHBondContact O-N 2.75Å |
| 1144 | I | 84.2 | Confident | 76.4 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 11% | 0.113 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.6 | -48 | 171.5 | -76.9 | 171.3 | 0 | 0 | 0 | 109.9 | L1027 L1030 L1031 T1034 L1140 T1141 A1146 L1147 I1148 | L1027-I1144 HydrophobicContact CD1-CG1 4.26Å; L1027-I1144 HydrophobicContact CD1-CG2 3.8Å; L1030-I1144 HydrophobicContact CB-CD1 4.32Å; L1030-I1144 HydrophobicContact CB-CG1 3.78Å; L1030-I1144 HydrophobicContact CD2-CG1 3.86Å; L1030-I1144 HydrophobicContact CG-CG1 4.33Å; L1031-I1144 HydrophobicContact CD1-CD1 4.42Å; T1034-I1144 HydrophobicContact CG2-CD1 4.15Å; L1140-I1144 HydrophobicContact CD2-CD1 3.59Å; L1140-I1144 HydrophobicContact CD2-CG1 3.8Å; L1140-I1144 WeakPolarHBondContact O-CB 3.46Å; L1140-I1144 WeakPolarHBondContact O-CG1 3.35Å; L1140-I1144 PolarHBondContact O-N 3.49Å; T1141-I1144 PolarHBondContact O-N 2.84Å; I1144-A1146 VanDerWaalsContact C-N 3.32Å; I1144-A1146 PolarHBondContact O-N 2.9Å; I1144-L1147 PolarHBondContact O-N 2.69Å; I1144-I1148 HydrophobicContact CG2-CD1 3.53Å; I1144-I1148 HydrophobicContact CG2-CG1 4.28Å; I1144-I1148 WeakPolarHBondContact O-CB 3.23Å; I1144-I1148 VanDerWaalsContact O-CG1 3.23Å; I1144-I1148 WeakPolarHBondContact O-CG1 3.35Å; I1144-I1148 PolarHBondContact O-N 2.87Å |
| 1145 | L | 82.1 | Confident | 77.1 | Confident | 96 Ų | 96 | 58.5 Ų | 58.5 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 176.7 | -74 | 169.7 | 0 | 0 | 0 | 111.2 | T1141 L1142 I1148 S1149 | T1141-L1145 WeakPolarHBondContact O-CB 3.16Å; T1141-L1145 VanDerWaalsContact O-CG 3.27Å; T1141-L1145 WeakPolarHBondContact O-CG 3.1Å; T1141-L1145 PolarHBondContact O-N 2.89Å; L1142-L1145 HydrophobicContact CD2-CD1 4.48Å; L1142-L1145 PolarHBondContact O-N 3.49Å; L1145-I1148 PolarHBondContact O-N 3.11Å; L1145-S1149 VanDerWaalsContact O-CB 3.28Å; L1145-S1149 WeakPolarHBondContact O-CB 3.47Å; L1145-S1149 PolarHBondContact O-N 3.4Å; L1145-S1149 PolarHBondContact O-OG 2.91Å; L1145-S1149 VanDerWaalsContact O-OG 3.11Å |
| 1146 | A | 84.1 | Confident | 77.8 | Confident | 56 Ų | 56 | 58.7 Ų | 58.7 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1142 L1143 I1144 S1149 L1150 | L1142-A1146 WeakPolarHBondContact O-CB 3.45Å; L1142-A1146 PolarHBondContact O-N 2.8Å; L1143-A1146 PolarHBondContact O-N 3.24Å; I1144-A1146 VanDerWaalsContact C-N 3.32Å; I1144-A1146 PolarHBondContact O-N 2.9Å; A1146-S1149 PolarHBondContact O-N 3.07Å; A1146-L1150 WeakPolarHBondContact O-CB 3.23Å; A1146-L1150 PolarHBondContact O-N 3.47Å |
| 1147 | L | 85.6 | Confident | 79 | Confident | 23 Ų | 23 | 58 Ų | 58 | 12% | 0.12 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 176 | -174.8 | 72 | 0 | 0 | 0 | 111.9 | F1023 S1026 L1027 L1030 L1143 I1144 L1150 F1151 | F1023-L1147 HydrophobicContact CD2-CG 4.32Å; F1023-L1147 HydrophobicContact CE2-CG 4.23Å; S1026-L1147 WeakPolarHBondContact OG-CD2 3.18Å; L1027-L1147 HydrophobicContact CB-CD2 4.19Å; L1030-L1147 HydrophobicContact CD2-CB 4.29Å; L1030-L1147 HydrophobicContact CD2-CD2 3.96Å; L1143-L1147 WeakPolarHBondContact O-CB 3.49Å; L1143-L1147 PolarHBondContact O-N 2.75Å; I1144-L1147 PolarHBondContact O-N 2.69Å; L1147-L1150 PolarHBondContact O-N 3.34Å; L1147-F1151 HydrophobicContact CD1-CD2 4.03Å; L1147-F1151 HydrophobicContact CD1-CE2 3.87Å; L1147-F1151 HydrophobicContact CG-CD2 4.45Å; L1147-F1151 PolarHBondContact O-N 3.38Å; L1147-F1151 VanDerWaalsContact O-N 3.11Å |
| 1148 | I | 87.4 | Confident | 80.3 | Confident | 57 Ų | 57 | 59.3 Ų | 59.3 | 29% | 0.292 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61 | -49.6 | 175.3 | -70.2 | 168.8 | 0 | 0 | 0 | 109.7 | F1023 L1027 I1144 L1145 L1150 F1151 S1152 | F1023-I1148 HydrophobicContact CE2-CG1 4.42Å; F1023-I1148 HydrophobicContact CZ-CG1 4.1Å; L1027-I1148 HydrophobicContact CD1-CD1 4.34Å; L1027-I1148 HydrophobicContact CD1-CG1 4.28Å; I1144-I1148 HydrophobicContact CG2-CD1 3.53Å; I1144-I1148 HydrophobicContact CG2-CG1 4.28Å; I1144-I1148 WeakPolarHBondContact O-CB 3.23Å; I1144-I1148 VanDerWaalsContact O-CG1 3.23Å; I1144-I1148 WeakPolarHBondContact O-CG1 3.35Å; I1144-I1148 PolarHBondContact O-N 2.87Å; L1145-I1148 PolarHBondContact O-N 3.11Å; I1148-L1150 PolarHBondContact O-N 2.91Å; I1148-F1151 PolarHBondContact O-N 3.38Å; I1148-S1152 WeakPolarHBondContact O-CA 3.28Å; I1148-S1152 WeakPolarHBondContact O-CB 3.05Å; I1148-S1152 PolarHBondContact O-N 2.81Å; I1148-S1152 PolarHBondContact O-OG 2.98Å |
| 1149 | S | 84 | Confident | 80.9 | Confident | 60 Ų | 60 | 66 Ų | 66 | 42% | 0.42 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | 176.1 | -71.1 | 0 | 0 | 0 | 0 | 111.9 | L1145 A1146 F1151 S1152 V1153 | L1145-S1149 VanDerWaalsContact O-CB 3.28Å; L1145-S1149 WeakPolarHBondContact O-CB 3.47Å; L1145-S1149 PolarHBondContact O-N 3.4Å; L1145-S1149 PolarHBondContact O-OG 2.91Å; L1145-S1149 VanDerWaalsContact O-OG 3.11Å; A1146-S1149 PolarHBondContact O-N 3.07Å; S1149-F1151 VanDerWaalsContact C-N 3.31Å; S1149-F1151 PolarHBondContact O-N 2.83Å; S1149-S1152 PolarHBondContact O-N 2.8Å; S1149-V1153 WeakPolarHBondContact O-CB 3.14Å; S1149-V1153 VanDerWaalsContact O-CG2 3.23Å; S1149-V1153 WeakPolarHBondContact O-CG2 3.4Å; S1149-V1153 PolarHBondContact O-N 2.92Å |
| 1150 | L | 86.9 | Confident | 81.5 | Confident | 95 Ų | 95 | 67.9 Ų | 67.9 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.4 | -41.2 | 179.5 | -179.5 | 57 | 0 | 0 | 0 | 112.1 | L1011 A1146 L1147 I1148 P1154 | L1011-L1150 HydrophobicContact CD1-CD1 3.75Å; L1011-L1150 HydrophobicContact CD1-CG 3.73Å; L1011-L1150 VanDerWaalsContact CD1-O 3.26Å; L1011-L1150 WeakPolarHBondContact CD1-O 3.28Å; L1011-L1150 HydrophobicContact CD2-CD1 4.41Å; A1146-L1150 WeakPolarHBondContact O-CB 3.23Å; A1146-L1150 PolarHBondContact O-N 3.47Å; L1147-L1150 PolarHBondContact O-N 3.34Å; I1148-L1150 PolarHBondContact O-N 2.91Å; L1150-P1154 VanDerWaalsContact O-CD 3.23Å; L1150-P1154 WeakPolarHBondContact O-CD 3.39Å; L1150-P1154 WeakPolarHBondContact O-CG 3.44Å |
| 1151 | F | 83.7 | Confident | 81.8 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 7% | 0.066 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -89.3 | -17.2 | 177.3 | -82.5 | -92.5 | 0 | 0 | 0 | 115.3 | L1010 W1013 F1023 L1147 I1148 S1149 | L1010-F1151 HydrophobicContact CD2-CE1 4.1Å; L1010-F1151 HydrophobicContact CD2-CZ 3.96Å; L1010-F1151 HydrophobicContact CG-CE1 4.11Å; L1010-F1151 HydrophobicContact CG-CZ 4.48Å; L1010-F1151 WeakPolarHBondContact O-CE1 3.32Å; W1013-F1151 AromaticContact NE1-CD1 3.96Å; W1013-F1151 PolarHBondContact NE1-O 3.48Å; F1023-F1151 HydrophobicContact CB-CD1 4.08Å; F1023-F1151 HydrophobicContact CB-CE1 4.16Å; F1023-F1151 HydrophobicContact CB-CG 4.31Å; F1023-F1151 HydrophobicContact CB-CZ 4.46Å; F1023-F1151 HydrophobicContact CD2-CB 3.64Å; F1023-F1151 HydrophobicContact CD2-CD1 4.13Å; F1023-F1151 AromaticContact CD2-CD2 3.55Å; F1023-F1151 HydrophobicContact CD2-CD2 3.55Å; F1023-F1151 HydrophobicContact CD2-CE2 4.2Å; F1023-F1151 AromaticContact CD2-CG 3.5Å; F1023-F1151 HydrophobicContact CD2-CG 3.5Å; F1023-F1151 VanDerWaalsContact CD2-CG 3.5Å; F1023-F1151 HydrophobicContact CE2-CB 3.77Å; F1023-F1151 HydrophobicContact CE2-CD2 4.17Å; F1023-F1151 HydrophobicContact CE2-CG 4.11Å; F1023-F1151 HydrophobicContact CG-CB 4.33Å; F1023-F1151 HydrophobicContact CG-CD1 4.33Å; F1023-F1151 HydrophobicContact CG-CD2 4.47Å; F1023-F1151 HydrophobicContact CG-CG 4.13Å; L1147-F1151 HydrophobicContact CD1-CD2 4.03Å; L1147-F1151 HydrophobicContact CD1-CE2 3.87Å; L1147-F1151 HydrophobicContact CG-CD2 4.45Å; L1147-F1151 PolarHBondContact O-N 3.38Å; L1147-F1151 VanDerWaalsContact O-N 3.11Å; I1148-F1151 PolarHBondContact O-N 3.38Å; S1149-F1151 VanDerWaalsContact C-N 3.31Å; S1149-F1151 PolarHBondContact O-N 2.83Å |
| 1152 | S | 82 | Confident | 81.9 | Confident | 48 Ų | 48 | 73.2 Ų | 73.2 | 34% | 0.336 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -104 | -33 | -175.2 | -51.8 | 0 | 0 | 0 | 0 | 113.2 | I1148 S1149 V1155 I1156 | I1148-S1152 WeakPolarHBondContact O-CA 3.28Å; I1148-S1152 WeakPolarHBondContact O-CB 3.05Å; I1148-S1152 PolarHBondContact O-N 2.81Å; I1148-S1152 PolarHBondContact O-OG 2.98Å; S1149-S1152 PolarHBondContact O-N 2.8Å; S1152-V1155 PolarHBondContact O-N 2.9Å; S1152-I1156 WeakPolarHBondContact O-CB 3.45Å; S1152-I1156 WeakPolarHBondContact O-CG2 3.23Å; S1152-I1156 PolarHBondContact O-N 2.91Å |
| 1153 | V | 83.4 | Confident | 82.1 | Confident | 83 Ų | 83 | 75.2 Ų | 75.2 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | -179.5 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | S1149 V1155 Y1157 | S1149-V1153 WeakPolarHBondContact O-CB 3.14Å; S1149-V1153 VanDerWaalsContact O-CG2 3.23Å; S1149-V1153 WeakPolarHBondContact O-CG2 3.4Å; S1149-V1153 PolarHBondContact O-N 2.92Å; V1153-V1155 PolarHBondContact O-N 3.08Å; V1153-Y1157 WeakPolarHBondContact O-CB 3.38Å; V1153-Y1157 PolarHBondContact O-N 3.17Å |
| 1154 | P | 79.9 | Confident | 82.2 | Confident | 19 Ų | 19 | 73.2 Ų | 73.2 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 177.2 | -26.1 | 38.2 | 0 | 0 | 0 | 112.7 | L1011 Y1012 L1150 Y1157 E1158 | L1011-P1154 HydrophobicContact CD2-CG 3.9Å; L1011-P1154 HydrophobicContact CG-CG 4.03Å; Y1012-P1154 HydrophobicContact CD1-CB 4.08Å; Y1012-P1154 HydrophobicContact CD2-CB 4.34Å; Y1012-P1154 HydrophobicContact CE1-CB 3.9Å; Y1012-P1154 HydrophobicContact CE2-CB 4.19Å; Y1012-P1154 HydrophobicContact CG-CB 4.31Å; L1150-P1154 VanDerWaalsContact O-CD 3.23Å; L1150-P1154 WeakPolarHBondContact O-CD 3.39Å; L1150-P1154 WeakPolarHBondContact O-CG 3.44Å; P1154-Y1157 PolarHBondContact O-N 3.3Å; P1154-E1158 WeakPolarHBondContact O-CB 3.27Å; P1154-E1158 PolarHBondContact O-N 3.46Å |
| 1155 | V | 80.1 | Confident | 82.2 | Confident | 47 Ų | 47 | 75.2 Ų | 75.2 | 29% | 0.285 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.8 | -43.6 | -179.7 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | W1013 S1152 V1153 Y1157 R1159 | W1013-V1155 HydrophobicContact CB-CG2 4.03Å; W1013-V1155 HydrophobicContact CG-CG2 3.76Å; S1152-V1155 PolarHBondContact O-N 2.9Å; V1153-V1155 PolarHBondContact O-N 3.08Å; V1155-Y1157 VanDerWaalsContact C-N 3.31Å; V1155-R1159 VanDerWaalsContact O-CB 3.24Å; V1155-R1159 WeakPolarHBondContact O-CB 3.33Å; V1155-R1159 PolarHBondContact O-N 3.33Å |
| 1156 | I | 81.1 | Confident | 82.3 | Confident | 83 Ų | 83 | 76.4 Ų | 76.4 | 43% | 0.426 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.5 | -34.1 | 178.6 | -149.9 | 73.2 | 0 | 0 | 0 | 110.6 | S1152 R1159 H1160 I1164 | S1152-I1156 WeakPolarHBondContact O-CB 3.45Å; S1152-I1156 WeakPolarHBondContact O-CG2 3.23Å; S1152-I1156 PolarHBondContact O-N 2.91Å; I1156-R1159 PolarHBondContact O-N 3.24Å; I1156-H1160 WeakPolarHBondContact O-CB 3.42Å; I1156-H1160 PolarHBondContact O-N 3.25Å; I1156-I1164 HydrophobicContact CG2-CD1 4.12Å; I1156-I1164 WeakPolarHBondContact O-CD1 3.31Å |
| 1157 | Y | 81.4 | Confident | 82.2 | Confident | 90 Ų | 90 | 81.6 Ų | 81.6 | 35% | 0.353 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.9 | -51.2 | 173.8 | -176.3 | -97.5 | 0 | 0 | 0 | 111.7 | V1153 P1154 V1155 R1159 H1160 Q1161 I1164 | V1153-Y1157 WeakPolarHBondContact O-CB 3.38Å; V1153-Y1157 PolarHBondContact O-N 3.17Å; P1154-Y1157 PolarHBondContact O-N 3.3Å; V1155-Y1157 VanDerWaalsContact C-N 3.31Å; Y1157-R1159 PolarHBondContact O-N 3.04Å; Y1157-H1160 PolarHBondContact O-N 3.17Å; Y1157-Q1161 HydrophobicContact CE1-CG 4.19Å; Y1157-Q1161 HydrophobicContact CE2-CG 4.22Å; Y1157-Q1161 WeakPolarHBondContact O-CA 3.47Å; Y1157-Q1161 VanDerWaalsContact O-CB 3.28Å; Y1157-Q1161 WeakPolarHBondContact O-CB 3Å; Y1157-Q1161 PolarHBondContact O-N 2.87Å; Y1157-Q1161 PolarHBondContact OH-NE2 3.16Å; Y1157-I1164 HydrophobicContact CD2-CG2 4.17Å |
| 1158 | E | 81.8 | Confident | 82.1 | Confident | 128 Ų | 128 | 85.2 Ų | 85.2 | 60% | 0.598 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -58.4 | -37.2 | 176.3 | -173.5 | 175.4 | -172.9 | 0 | 0 | 112 | P1154 | P1154-E1158 WeakPolarHBondContact O-CB 3.27Å; P1154-E1158 PolarHBondContact O-N 3.46Å |
| 1159 | R | 78.8 | Confident | 81.9 | Confident | 203 Ų | 203 | 83.8 Ų | 83.8 | 77% | 0.766 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -81.1 | -29.7 | -178.1 | -165.2 | 178.4 | -150.9 | -169.1 | 6.8 | 114.8 | V1155 I1156 Y1157 | V1155-R1159 VanDerWaalsContact O-CB 3.24Å; V1155-R1159 WeakPolarHBondContact O-CB 3.33Å; V1155-R1159 PolarHBondContact O-N 3.33Å; I1156-R1159 PolarHBondContact O-N 3.24Å; Y1157-R1159 PolarHBondContact O-N 3.04Å |
| 1160 | H | 80.6 | Confident | 82 | Confident | 65 Ų | 65 | 84.8 Ų | 84.8 | 30% | 0.301 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -124.8 | 18.5 | -173.1 | -64.8 | -92 | 0 | 0 | 0 | 113.8 | I1156 Y1157 A1162 Q1163 I1164 | I1156-H1160 WeakPolarHBondContact O-CB 3.42Å; I1156-H1160 PolarHBondContact O-N 3.25Å; Y1157-H1160 PolarHBondContact O-N 3.17Å; H1160-A1162 PolarHBondContact O-N 2.94Å; H1160-A1162 VanDerWaalsContact O-N 3.16Å; H1160-Q1163 PolarHBondContact ND1-OE1 2.88Å; H1160-Q1163 WeakPolarHBondContact O-CA 2.98Å; H1160-Q1163 WeakPolarHBondContact O-CB 3.26Å; H1160-Q1163 PolarHBondContact O-N 2.85Å; H1160-I1164 HydrophobicContact CB-CD1 3.76Å; H1160-I1164 HydrophobicContact CB-CG1 4.09Å; H1160-I1164 PolarHBondContact O-N 3.27Å |
| 1161 | Q | 77.9 | Confident | 82 | Confident | 94 Ų | 94 | 82.5 Ų | 82.5 | 44% | 0.439 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -42.5 | -56.8 | -171.3 | -170.8 | 179.2 | -3.3 | 0 | 0 | 113.7 | Y1157 Q1163 I1164 D1165 | Y1157-Q1161 HydrophobicContact CE1-CG 4.19Å; Y1157-Q1161 HydrophobicContact CE2-CG 4.22Å; Y1157-Q1161 WeakPolarHBondContact O-CA 3.47Å; Y1157-Q1161 VanDerWaalsContact O-CB 3.28Å; Y1157-Q1161 WeakPolarHBondContact O-CB 3Å; Y1157-Q1161 PolarHBondContact O-N 2.87Å; Y1157-Q1161 PolarHBondContact OH-NE2 3.16Å; Q1161-Q1163 PolarHBondContact O-N 3.36Å; Q1161-I1164 PolarHBondContact O-N 3.16Å; Q1161-I1164 VanDerWaalsContact O-N 3.16Å; Q1161-D1165 WeakPolarHBondContact CG-OD2 3.21Å; Q1161-D1165 WeakPolarHBondContact O-CB 3.45Å; Q1161-D1165 PolarHBondContact O-N 2.79Å |
| 1162 | A | 79.2 | Confident | 82.2 | Confident | 86 Ų | 86 | 85.1 Ų | 85.1 | 71% | 0.711 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.5 | -24.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H1160 H1166 | H1160-A1162 PolarHBondContact O-N 2.94Å; H1160-A1162 VanDerWaalsContact O-N 3.16Å; A1162-H1166 WeakPolarHBondContact O-CB 3.36Å |
| 1163 | Q | 79.5 | Confident | 82.7 | Confident | 115 Ų | 115 | 89.3 Ų | 89.3 | 54% | 0.537 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -82.5 | -44.9 | 174.3 | -64 | 174.5 | -20.8 | 0 | 0 | 110.4 | H1160 Q1161 H1166 Y1167 | H1160-Q1163 PolarHBondContact ND1-OE1 2.88Å; H1160-Q1163 WeakPolarHBondContact O-CA 2.98Å; H1160-Q1163 WeakPolarHBondContact O-CB 3.26Å; H1160-Q1163 PolarHBondContact O-N 2.85Å; Q1161-Q1163 PolarHBondContact O-N 3.36Å; Q1163-H1166 WeakPolarHBondContact O-CB 3.2Å; Q1163-H1166 PolarHBondContact O-N 3.5Å; Q1163-Y1167 WeakPolarHBondContact O-CD2 3.33Å; Q1163-Y1167 PolarHBondContact O-N 2.84Å |
| 1164 | I | 82.6 | Confident | 82.9 | Confident | 53 Ų | 53 | 89.8 Ų | 89.8 | 27% | 0.272 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 178.7 | -68.1 | 165.8 | 0 | 0 | 0 | 110.5 | I1156 Y1157 H1160 Q1161 H1166 Y1167 L1168 | I1156-I1164 HydrophobicContact CG2-CD1 4.12Å; I1156-I1164 WeakPolarHBondContact O-CD1 3.31Å; Y1157-I1164 HydrophobicContact CD2-CG2 4.17Å; H1160-I1164 HydrophobicContact CB-CD1 3.76Å; H1160-I1164 HydrophobicContact CB-CG1 4.09Å; H1160-I1164 PolarHBondContact O-N 3.27Å; Q1161-I1164 PolarHBondContact O-N 3.16Å; Q1161-I1164 VanDerWaalsContact O-N 3.16Å; I1164-H1166 VanDerWaalsContact C-N 3.26Å; I1164-H1166 PolarHBondContact O-N 3.02Å; I1164-Y1167 PolarHBondContact O-N 3.41Å; I1164-L1168 WeakPolarHBondContact O-CB 3.44Å; I1164-L1168 PolarHBondContact O-N 3Å |
| 1165 | D | 84.8 | Confident | 83.4 | Confident | 64 Ų | 64 | 92.9 Ų | 92.9 | 34% | 0.342 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.3 | -31.2 | 176.3 | -72.7 | -17.6 | 0 | 0 | 0 | 112.2 | Q1161 G1169 | Q1161-D1165 WeakPolarHBondContact CG-OD2 3.21Å; Q1161-D1165 WeakPolarHBondContact O-CB 3.45Å; Q1161-D1165 PolarHBondContact O-N 2.79Å; D1165-G1169 WeakPolarHBondContact O-CA 3.42Å; D1165-G1169 PolarHBondContact O-N 3.36Å |
| 1166 | H | 82.9 | Confident | 83.7 | Confident | 121 Ų | 121 | 96.5 Ų | 96.5 | 56% | 0.56 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70.2 | -46.8 | 173.5 | -176.5 | -97.8 | 0 | 0 | 0 | 112 | A1162 Q1163 I1164 G1169 L1170 | A1162-H1166 WeakPolarHBondContact O-CB 3.36Å; Q1163-H1166 WeakPolarHBondContact O-CB 3.2Å; Q1163-H1166 PolarHBondContact O-N 3.5Å; I1164-H1166 VanDerWaalsContact C-N 3.26Å; I1164-H1166 PolarHBondContact O-N 3.02Å; H1166-G1169 PolarHBondContact O-N 3.04Å; H1166-L1170 PolarHBondContact O-N 3.34Å |
| 1167 | Y | 81.8 | Confident | 84.2 | Confident | 165 Ų | 165 | 96.2 Ų | 96.2 | 65% | 0.647 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69 | -39.9 | 176.8 | -74.6 | -64.7 | 0 | 0 | 0 | 112.7 | Q1163 I1164 G1169 L1170 A1171 | Q1163-Y1167 WeakPolarHBondContact O-CD2 3.33Å; Q1163-Y1167 PolarHBondContact O-N 2.84Å; I1164-Y1167 PolarHBondContact O-N 3.41Å; Y1167-G1169 VanDerWaalsContact C-N 3.32Å; Y1167-L1170 PolarHBondContact O-N 3.26Å; Y1167-A1171 WeakPolarHBondContact O-CB 3.43Å; Y1167-A1171 PolarHBondContact O-N 3.4Å |
| 1168 | L | 83.6 | Confident | 84.4 | Confident | 99 Ų | 99 | 92.6 Ų | 92.6 | 52% | 0.518 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 172.2 | -177.6 | 62.1 | 0 | 0 | 0 | 110.5 | I1164 L1170 A1171 N1172 | I1164-L1168 WeakPolarHBondContact O-CB 3.44Å; I1164-L1168 PolarHBondContact O-N 3Å; L1168-L1170 VanDerWaalsContact C-N 3.32Å; L1168-L1170 PolarHBondContact O-N 3.42Å; L1168-A1171 PolarHBondContact O-N 3.35Å; L1168-N1172 WeakPolarHBondContact O-CB 3.26Å; L1168-N1172 PolarHBondContact O-N 2.67Å |
| 1169 | G | 84.2 | Confident | 84.5 | Confident | 27 Ų | 27 | 88.3 Ų | 88.3 | 28% | 0.278 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.2 | -35.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1165 H1166 Y1167 K1173 | D1165-G1169 WeakPolarHBondContact O-CA 3.42Å; D1165-G1169 PolarHBondContact O-N 3.36Å; H1166-G1169 PolarHBondContact O-N 3.04Å; Y1167-G1169 VanDerWaalsContact C-N 3.32Å; G1169-K1173 WeakPolarHBondContact O-CD 3.17Å; G1169-K1173 WeakPolarHBondContact O-CG 3.3Å; G1169-K1173 PolarHBondContact O-N 2.8Å; G1169-K1173 VanDerWaalsContact O-N 3.12Å |
| 1170 | L | 86.2 | Confident | 84.9 | Confident | 80 Ų | 80 | 81.3 Ų | 81.3 | 42% | 0.419 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -73.5 | -44.7 | 173.3 | -175.5 | 60.8 | 0 | 0 | 0 | 112.1 | H1166 Y1167 L1168 N1172 K1173 N1174 | H1166-L1170 PolarHBondContact O-N 3.34Å; Y1167-L1170 PolarHBondContact O-N 3.26Å; L1168-L1170 VanDerWaalsContact C-N 3.32Å; L1168-L1170 PolarHBondContact O-N 3.42Å; L1170-N1172 VanDerWaalsContact C-N 3.34Å; L1170-N1172 PolarHBondContact O-N 2.88Å; L1170-K1173 WeakPolarHBondContact O-CB 3.48Å; L1170-K1173 PolarHBondContact O-N 2.77Å; L1170-N1174 PolarHBondContact O-N 3.25Å |
| 1171 | A | 87.8 | Confident | 85.1 | Confident | 47 Ų | 47 | 84 Ų | 84 | 39% | 0.388 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y1167 L1168 K1173 N1174 V1175 | Y1167-A1171 WeakPolarHBondContact O-CB 3.43Å; Y1167-A1171 PolarHBondContact O-N 3.4Å; L1168-A1171 PolarHBondContact O-N 3.35Å; A1171-K1173 VanDerWaalsContact C-N 3.35Å; A1171-K1173 PolarHBondContact O-N 2.89Å; A1171-N1174 PolarHBondContact O-N 2.96Å; A1171-N1174 VanDerWaalsContact O-N 3.17Å; A1171-V1175 WeakPolarHBondContact O-CB 3.5Å; A1171-V1175 WeakPolarHBondContact O-CG2 3.45Å; A1171-V1175 PolarHBondContact O-N 2.9Å |
| 1172 | N | 87.9 | Confident | 85.4 | Confident | 71 Ų | 71 | 79.8 Ų | 79.8 | 38% | 0.38 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.7 | -33.5 | 177.4 | -164.7 | -48.5 | 0 | 0 | 0 | 111.9 | L1168 L1170 K1176 | L1168-N1172 WeakPolarHBondContact O-CB 3.26Å; L1168-N1172 PolarHBondContact O-N 2.67Å; L1170-N1172 VanDerWaalsContact C-N 3.34Å; L1170-N1172 PolarHBondContact O-N 2.88Å; N1172-K1176 VanDerWaalsContact O-CB 3.23Å; N1172-K1176 WeakPolarHBondContact O-CB 3.28Å; N1172-K1176 VanDerWaalsContact O-CG 3.27Å; N1172-K1176 WeakPolarHBondContact O-CG 3.19Å; N1172-K1176 PolarHBondContact O-N 2.98Å; N1172-K1176 VanDerWaalsContact OD1-CD 3.31Å; N1172-K1176 WeakPolarHBondContact OD1-CD 3.32Å; N1172-K1176 WeakPolarHBondContact OD1-CE 3.32Å; N1172-K1176 PolarHBondContact OD1-NZ 3.27Å |
| 1173 | K | 91.3 | Very high | 85.3 | Confident | 135 Ų | 135 | 79.9 Ų | 79.9 | 59% | 0.587 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64 | -46.6 | 168.1 | -73.5 | 162 | -167.6 | 170.6 | 0 | 111.6 | G1169 L1170 A1171 K1176 D1177 | G1169-K1173 WeakPolarHBondContact O-CD 3.17Å; G1169-K1173 WeakPolarHBondContact O-CG 3.3Å; G1169-K1173 PolarHBondContact O-N 2.8Å; G1169-K1173 VanDerWaalsContact O-N 3.12Å; L1170-K1173 WeakPolarHBondContact O-CB 3.48Å; L1170-K1173 PolarHBondContact O-N 2.77Å; A1171-K1173 VanDerWaalsContact C-N 3.35Å; A1171-K1173 PolarHBondContact O-N 2.89Å; K1173-K1176 PolarHBondContact O-N 2.85Å; K1173-D1177 WeakPolarHBondContact O-CB 3.45Å; K1173-D1177 PolarHBondContact O-N 2.74Å |
| 1174 | N | 88.2 | Confident | 85.2 | Confident | 94 Ų | 94 | 77.9 Ų | 77.9 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | -179.8 | -67.5 | -13.5 | 0 | 0 | 0 | 112.1 | L1170 A1171 D1177 A1178 | L1170-N1174 PolarHBondContact O-N 3.25Å; A1171-N1174 PolarHBondContact O-N 2.96Å; A1171-N1174 VanDerWaalsContact O-N 3.17Å; N1174-D1177 PolarHBondContact O-N 2.86Å; N1174-A1178 WeakPolarHBondContact O-CB 3.5Å; N1174-A1178 PolarHBondContact O-N 2.87Å |
| 1175 | V | 89.1 | Confident | 84.8 | Confident | 84 Ų | 84 | 83.6 Ų | 83.6 | 51% | 0.509 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 172.6 | 171.2 | 0 | 0 | 0 | 0 | 111 | A1171 M1179 | A1171-V1175 WeakPolarHBondContact O-CB 3.5Å; A1171-V1175 WeakPolarHBondContact O-CG2 3.45Å; A1171-V1175 PolarHBondContact O-N 2.9Å; V1175-M1179 WeakPolarHBondContact O-CB 3.38Å; V1175-M1179 PolarHBondContact O-N 3.32Å |
| 1176 | K | 87.6 | Confident | 84.1 | Confident | 123 Ų | 123 | 85.2 Ų | 85.2 | 54% | 0.535 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.6 | -34.3 | 174.4 | -81 | 171.1 | 175.2 | 152.4 | 0 | 113.8 | N1172 K1173 A1180 | N1172-K1176 VanDerWaalsContact O-CB 3.23Å; N1172-K1176 WeakPolarHBondContact O-CB 3.28Å; N1172-K1176 VanDerWaalsContact O-CG 3.27Å; N1172-K1176 WeakPolarHBondContact O-CG 3.19Å; N1172-K1176 PolarHBondContact O-N 2.98Å; N1172-K1176 VanDerWaalsContact OD1-CD 3.31Å; N1172-K1176 WeakPolarHBondContact OD1-CD 3.32Å; N1172-K1176 WeakPolarHBondContact OD1-CE 3.32Å; N1172-K1176 PolarHBondContact OD1-NZ 3.27Å; K1173-K1176 PolarHBondContact O-N 2.85Å; K1176-A1180 VanDerWaalsContact O-CB 3.29Å; K1176-A1180 WeakPolarHBondContact O-CB 3.2Å; K1176-A1180 PolarHBondContact O-N 3.19Å |
| 1177 | D | 90.8 | Very high | 82.5 | Confident | 76 Ų | 76 | 85 Ų | 85 | 41% | 0.406 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -72.4 | -40 | 174.8 | 173.7 | 57.5 | 0 | 0 | 0 | 111.4 | K1173 N1174 A1180 K1181 | K1173-D1177 WeakPolarHBondContact O-CB 3.45Å; K1173-D1177 PolarHBondContact O-N 2.74Å; N1174-D1177 PolarHBondContact O-N 2.86Å; D1177-A1180 PolarHBondContact O-N 3.16Å; D1177-K1181 WeakPolarHBondContact O-CB 3.16Å; D1177-K1181 WeakPolarHBondContact O-CD 3.35Å; D1177-K1181 VanDerWaalsContact O-CG 3.23Å; D1177-K1181 WeakPolarHBondContact O-CG 3.14Å; D1177-K1181 PolarHBondContact O-N 3.25Å; D1177-K1181 VanDerWaalsContact OD1-CE 3.3Å; D1177-K1181 WeakPolarHBondContact OD1-CE 3.21Å; D1177-K1181 IonicContact OD1-NZ 2.69Å; D1177-K1181 VanDerWaalsContact OD2-CE 3.26Å; D1177-K1181 WeakPolarHBondContact OD2-CE 3.43Å; D1177-K1181 IonicContact OD2-NZ 3.69Å; D1177-K1181 PolarHBondContact OD2-NZ 3.3Å |
| 1178 | A | 86 | Confident | 81.1 | Confident | 15 Ų | 15 | 80.1 Ų | 80.1 | 12% | 0.124 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -55.3 | -58.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | N1174 A1180 K1181 I1182 | N1174-A1178 WeakPolarHBondContact O-CB 3.5Å; N1174-A1178 PolarHBondContact O-N 2.87Å; A1178-A1180 VanDerWaalsContact C-N 3.26Å; A1178-A1180 PolarHBondContact O-N 2.91Å; A1178-K1181 CarbonylContact O-C 3.48Å; A1178-K1181 WeakPolarHBondContact O-CA 3.43Å; A1178-K1181 WeakPolarHBondContact O-CB 3.19Å; A1178-K1181 PolarHBondContact O-N 2.73Å; A1178-I1182 HydrophobicContact CB-CD1 4.32Å; A1178-I1182 WeakPolarHBondContact O-CD1 3.4Å; A1178-I1182 WeakPolarHBondContact O-CG1 3.15Å; A1178-I1182 PolarHBondContact O-N 3.18Å |
| 1179 | M | 84.7 | Confident | 79.4 | Confident | 38 Ų | 38 | 81.9 Ų | 81.9 | 19% | 0.187 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -49.3 | -41.8 | 175.9 | 162.4 | 171.5 | 171.6 | 0 | 0 | 113.6 | T270 V271 N272 V1175 I1182 Q1183 | T270-M1179 HydrophobicContact CG2-CB 4.28Å; T270-M1179 WeakPolarHBondContact OG1-CA 3.24Å; T270-M1179 WeakPolarHBondContact OG1-CB 3.34Å; T270-M1179 WeakPolarHBondContact OG1-CG 3.19Å; V271-M1179 HydrophobicContact CB-CE 3.82Å; V271-M1179 HydrophobicContact CB-SD 4.05Å; V271-M1179 HydrophobicContact CG1-CE 3.34Å; V271-M1179 HydrophobicContact CG1-SD 3.98Å; N272-M1179 WeakPolarHBondContact ND2-CE 3.48Å; V1175-M1179 WeakPolarHBondContact O-CB 3.38Å; V1175-M1179 PolarHBondContact O-N 3.32Å; M1179-I1182 PolarHBondContact O-N 2.67Å; M1179-Q1183 VanDerWaalsContact O-CB 3.29Å; M1179-Q1183 WeakPolarHBondContact O-CB 3.42Å; M1179-Q1183 PolarHBondContact O-N 2.61Å |
| 1180 | A | 86.3 | Confident | 77.6 | Confident | 56 Ų | 56 | 89.9 Ų | 89.9 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.1 | -44.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1176 D1177 A1178 I1182 Q1183 A1184 | K1176-A1180 VanDerWaalsContact O-CB 3.29Å; K1176-A1180 WeakPolarHBondContact O-CB 3.2Å; K1176-A1180 PolarHBondContact O-N 3.19Å; D1177-A1180 PolarHBondContact O-N 3.16Å; A1178-A1180 VanDerWaalsContact C-N 3.26Å; A1178-A1180 PolarHBondContact O-N 2.91Å; A1180-I1182 PolarHBondContact O-N 3.48Å; A1180-Q1183 PolarHBondContact O-N 3.5Å; A1180-A1184 WeakPolarHBondContact O-CB 3.49Å; A1180-A1184 PolarHBondContact O-N 3.38Å |
| 1181 | K | 84.6 | Confident | 75.7 | Confident | 120 Ų | 120 | 91.5 Ų | 91.5 | 52% | 0.522 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.7 | -31 | 173.8 | -75.5 | 163.4 | 177.7 | 169.3 | 0 | 111.7 | D1177 A1178 K1185 | D1177-K1181 WeakPolarHBondContact O-CB 3.16Å; D1177-K1181 WeakPolarHBondContact O-CD 3.35Å; D1177-K1181 VanDerWaalsContact O-CG 3.23Å; D1177-K1181 WeakPolarHBondContact O-CG 3.14Å; D1177-K1181 PolarHBondContact O-N 3.25Å; D1177-K1181 VanDerWaalsContact OD1-CE 3.3Å; D1177-K1181 WeakPolarHBondContact OD1-CE 3.21Å; D1177-K1181 IonicContact OD1-NZ 2.69Å; D1177-K1181 VanDerWaalsContact OD2-CE 3.26Å; D1177-K1181 WeakPolarHBondContact OD2-CE 3.43Å; D1177-K1181 IonicContact OD2-NZ 3.69Å; D1177-K1181 PolarHBondContact OD2-NZ 3.3Å; A1178-K1181 CarbonylContact O-C 3.48Å; A1178-K1181 WeakPolarHBondContact O-CA 3.43Å; A1178-K1181 WeakPolarHBondContact O-CB 3.19Å; A1178-K1181 PolarHBondContact O-N 2.73Å; K1181-K1185 WeakPolarHBondContact O-CD 3.44Å; K1181-K1185 PolarHBondContact O-N 3.01Å; K1181-K1185 VanDerWaalsContact O-N 3.11Å |
| 1182 | I | 83.6 | Confident | 73.4 | Confident | 6 Ų | 6 | 98.9 Ų | 98.9 | 3% | 0.031 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -83.9 | -46.2 | 179.5 | -59.2 | 145.7 | 0 | 0 | 0 | 112.1 | Q268 E269 A1178 M1179 A1180 A1184 K1185 I1186 | Q268-I1182 HydrophobicContact CB-CD1 3.26Å; Q268-I1182 HydrophobicContact CB-CG1 3.63Å; Q268-I1182 HydrophobicContact CG-CD1 3.36Å; Q268-I1182 HydrophobicContact CG-CG1 4.26Å; Q268-I1182 WeakPolarHBondContact O-CG2 3.15Å; E269-I1182 HydrophobicContact CB-CD1 4.17Å; E269-I1182 WeakPolarHBondContact O-CB 3.44Å; E269-I1182 WeakPolarHBondContact O-CD1 3.42Å; E269-I1182 WeakPolarHBondContact O-CG2 3.2Å; A1178-I1182 HydrophobicContact CB-CD1 4.32Å; A1178-I1182 WeakPolarHBondContact O-CD1 3.4Å; A1178-I1182 WeakPolarHBondContact O-CG1 3.15Å; A1178-I1182 PolarHBondContact O-N 3.18Å; M1179-I1182 PolarHBondContact O-N 2.67Å; A1180-I1182 PolarHBondContact O-N 3.48Å; I1182-A1184 PolarHBondContact O-N 3.3Å; I1182-A1184 VanDerWaalsContact O-N 3.08Å; I1182-K1185 CarbonylContact O-C 3.53Å; I1182-K1185 WeakPolarHBondContact O-CA 3.39Å; I1182-K1185 PolarHBondContact O-N 2.9Å; I1182-I1186 HydrophobicContact CG2-CD1 3.56Å; I1182-I1186 HydrophobicContact CG2-CG1 3.89Å; I1182-I1186 PolarHBondContact O-N 3.29Å |
| 1183 | Q | 77.1 | Confident | 71.2 | Confident | 88 Ų | 88 | 100.4 Ų | 100.4 | 41% | 0.411 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.5 | -22.2 | 175.5 | -169.3 | 143.5 | 61.5 | 0 | 0 | 111.1 | V271 M1179 A1180 | V271-Q1183 PolarHBondContact O-NE2 2.99Å; M1179-Q1183 VanDerWaalsContact O-CB 3.29Å; M1179-Q1183 WeakPolarHBondContact O-CB 3.42Å; M1179-Q1183 PolarHBondContact O-N 2.61Å; A1180-Q1183 PolarHBondContact O-N 3.5Å |
| 1184 | A | 78.2 | Confident | 68.3 | Low | 73 Ų | 73 | 106.8 Ų | 106.8 | 60% | 0.603 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -80.8 | -29.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1180 I1182 | A1180-A1184 WeakPolarHBondContact O-CB 3.49Å; A1180-A1184 PolarHBondContact O-N 3.38Å; I1182-A1184 PolarHBondContact O-N 3.3Å; I1182-A1184 VanDerWaalsContact O-N 3.08Å |
| 1185 | K | 75.3 | Confident | 67.4 | Low | 174 Ų | 174 | 107.4 Ų | 107.4 | 76% | 0.757 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -79.5 | -22.4 | 172.6 | -109.2 | 77 | 179.2 | -170.5 | 0 | 114.1 | K1181 I1182 P1187 | K1181-K1185 WeakPolarHBondContact O-CD 3.44Å; K1181-K1185 PolarHBondContact O-N 3.01Å; K1181-K1185 VanDerWaalsContact O-N 3.11Å; I1182-K1185 CarbonylContact O-C 3.53Å; I1182-K1185 WeakPolarHBondContact O-CA 3.39Å; I1182-K1185 PolarHBondContact O-N 2.9Å; K1185-P1187 WeakPolarHBondContact O-CD 2.99Å |
| 1186 | I | 69.3 | Low | 66.2 | Low | 98 Ų | 98 | 108.6 Ų | 108.6 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -115 | 63.2 | 177.9 | -46.7 | 179 | 0 | 0 | 0 | 109.8 | I1182 G1188 | I1182-I1186 HydrophobicContact CG2-CD1 3.56Å; I1182-I1186 HydrophobicContact CG2-CG1 3.89Å; I1182-I1186 PolarHBondContact O-N 3.29Å; I1186-G1188 VanDerWaalsContact C-N 3.31Å; I1186-G1188 PolarHBondContact O-N 3.33Å |
| 1187 | P | 49 | Very low | 65 | Low | 115 Ų | 115 | 107.8 Ų | 107.8 | 75% | 0.747 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 76.3 | -176.3 | 34.2 | -38.2 | 0 | 0 | 0 | 111.7 | K1185 | K1185-P1187 WeakPolarHBondContact O-CD 2.99Š|
| 1188 | G | 51.9 | Low | 63.5 | Low | 64 Ų | 64 | 109.7 Ų | 109.7 | 66% | 0.66 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.7 | -53.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | I1186 K1190 | I1186-G1188 VanDerWaalsContact C-N 3.31Å; I1186-G1188 PolarHBondContact O-N 3.33Å; G1188-K1190 VanDerWaalsContact C-N 3.34Å; G1188-K1190 PolarHBondContact O-N 2.72Å |
| 1189 | L | 48.6 | Very low | 62.1 | Low | 136 Ų | 136 | 115.6 Ų | 115.6 | 71% | 0.712 | 62% | 0.616 | S | S | * | * | | | trans | -84.9 | 70.2 | -164.2 | -155.8 | 73 | 0 | 0 | 0 | 113.9 | R1191 | L1189-R1191 HydrophobicContact CG-CG 4.45Å; L1189-R1191 PolarHBondContact O-N 2.88Å |
| 1190 | K | 47.2 | Very low | 60.6 | Low | 195 Ų | 195 | 120.8 Ų | 120.8 | 85% | 0.848 | 64% | 0.644 | S | S | * | * | | | trans | -62.4 | 95.3 | 161.3 | -69.9 | -175.5 | 179.1 | -178.9 | 0 | 109.4 | G1188 K1192 | G1188-K1190 VanDerWaalsContact C-N 3.34Å; G1188-K1190 PolarHBondContact O-N 2.72Å; K1190-K1192 PolarHBondContact O-N 2.78Å |
| 1191 | R | 44.6 | Very low | 58.8 | Low | 114 Ų | 114 | 125.4 Ų | 125.4 | 43% | 0.43 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -66 | 131 | 169.2 | -49.8 | -166.2 | -149.7 | 159.5 | 14.1 | 108 | N272 E273 L1189 | N272-R1191 VanDerWaalsContact O-CB 3.3Å; N272-R1191 WeakPolarHBondContact O-CB 3.18Å; N272-R1191 WeakPolarHBondContact O-CD 3.34Å; N272-R1191 VanDerWaalsContact O-CG 3.23Å; N272-R1191 WeakPolarHBondContact O-CG 3.32Å; N272-R1191 PolarHBondContact O-NE 3.33Å; E273-R1191 VanDerWaalsContact CA-NH1 3.27Å; E273-R1191 WeakPolarHBondContact O-CD 3.31Å; E273-R1191 PolarHBondContact O-NH1 3.36Å; E273-R1191 IonicContact OE2-CZ 3.64Å; E273-R1191 VanDerWaalsContact OE2-CZ 3.28Å; E273-R1191 IonicContact OE2-NH1 2.63Å; E273-R1191 PolarHBondContact OE2-NH1 2.94Å; E273-R1191 IonicContact OE2-NH2 3.57Å; E273-R1191 PolarHBondContact OE2-NH2 3.46Å; E273-R1191 VanDerWaalsContact OE2-NH2 3.07Å; L1189-R1191 HydrophobicContact CG-CG 4.45Å; L1189-R1191 PolarHBondContact O-N 2.88Å |
| 1192 | K | 40 | Very low | 56.8 | Low | 202 Ų | 202 | 125.8 Ų | 125.8 | 88% | 0.878 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 128 | 172.8 | -64.6 | 177 | -178.1 | 174.5 | 0 | 107.4 | K1190 | K1190-K1192 PolarHBondContact O-N 2.78Š|
| 1193 | A | 41.9 | Very low | 54.6 | Low | 102 Ų | 102 | 135.8 Ų | 135.8 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 146.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1194 | E | 31.6 | Very low | 52.5 | Low | 269 Ų | 269 | 140.2 Ų | 140.2 | 100% | 1.257 | 75% | 0.749 | S | S | * | * | | | trans | -124.5 | 0 | 166.8 | -176 | 170.5 | 176.1 | 0 | 0 | 107.7 | | |