| 1 | M | 39.7 | Very low | 60 | Low | 243 Ų | 243 | 137.7 Ų | 137.7 | 100% | 1.197 | 72% | 0.723 | S | S | * | * | | | | 0 | 111.9 | 0 | -70.5 | 145.8 | 69 | 0 | 0 | 107.5 | | |
| 2 | A | 48.4 | Very low | 61 | Low | 83 Ų | 83 | 136.1 Ų | 136.1 | 69% | 0.686 | 72% | 0.716 | S | S | * | * | | | trans | -81.8 | 137 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | H4 | A2-H4 PolarHBondContact O-N 3.37Š|
| 3 | Q | 52.9 | Low | 61.7 | Low | 188 Ų | 188 | 138.9 Ų | 138.9 | 88% | 0.879 | 72% | 0.719 | S | S | * | * | | | trans | -74.5 | 110.7 | 168.5 | -71.9 | 176.9 | -100.6 | 0 | 0 | 108 | | |
| 4 | H | 59.2 | Low | 61.5 | Low | 153 Ų | 153 | 137.5 Ų | 137.5 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | | | trans | -84.3 | 113.5 | 163.4 | -75.8 | -87.6 | 0 | 0 | 0 | 108.1 | A2 F6 | A2-H4 PolarHBondContact O-N 3.37Å; H4-F6 WeakPolarHBondContact O-CD2 3.44Å; H4-F6 PolarHBondContact O-N 3.1Å |
| 5 | D | 66.2 | Low | 61.3 | Low | 148 Ų | 148 | 137.2 Ų | 137.2 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | | | trans | -67.3 | 112.9 | 169.4 | -81.3 | -36.8 | 0 | 0 | 0 | 109.1 | A7 | D5-A7 PolarHBondContact O-N 3.14Š|
| 6 | F | 62.3 | Low | 60.9 | Low | 202 Ų | 202 | 135.6 Ų | 135.6 | 89% | 0.886 | 73% | 0.729 | S | S | * | * | | | trans | -76.3 | 68.5 | 173.4 | -84 | -93.3 | 0 | 0 | 0 | 110.6 | H4 | H4-F6 WeakPolarHBondContact O-CD2 3.44Å; H4-F6 PolarHBondContact O-N 3.1Å |
| 7 | A | 70.3 | Confident | 60.6 | Low | 42 Ų | 42 | 135.1 Ų | 135.1 | 35% | 0.347 | 73% | 0.734 | S | S | . | * | | | trans | -79.5 | 131.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | D5 | D5-A7 PolarHBondContact O-N 3.14Š|
| 8 | P | 66.4 | Low | 59.5 | Low | 68 Ų | 68 | 133.4 Ų | 133.4 | 44% | 0.442 | 74% | 0.735 | S | S | . | * | | | trans | -55.2 | 141.5 | 169.7 | -25.7 | 35.3 | 0 | 0 | 0 | 111.1 | W10 L11 | P8-W10 HydrophobicContact CB-CG 4.39Å; P8-W10 VanDerWaalsContact CB-NE1 3.33Å; P8-W10 PolarHBondContact O-N 3.17Å; P8-L11 PolarHBondContact O-N 3.02Å |
| 9 | A | 60.7 | Low | 58.3 | Low | 96 Ų | 96 | 132.8 Ų | 132.8 | 79% | 0.793 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -57.4 | -22 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115 | L11 | A9-L11 VanDerWaalsContact C-N 3.29Å; A9-L11 PolarHBondContact O-N 2.7Å |
| 10 | W | 69 | Low | 57.4 | Low | 207 Ų | 207 | 131.2 Ų | 131.2 | 78% | 0.784 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -78.4 | -6.2 | 176 | 60.5 | -95.5 | 0 | 0 | 0 | 114.7 | P8 | P8-W10 HydrophobicContact CB-CG 4.39Å; P8-W10 VanDerWaalsContact CB-NE1 3.33Å; P8-W10 PolarHBondContact O-N 3.17Å |
| 11 | L | 65.4 | Low | 56.6 | Low | 85 Ų | 85 | 134.3 Ų | 134.3 | 45% | 0.445 | 74% | 0.74 | S | S | . | * | G | 310 helix | trans | -109.8 | -3.6 | -178.4 | -114.2 | 160.1 | 0 | 0 | 0 | 113.6 | P8 A9 F13 | P8-L11 PolarHBondContact O-N 3.02Å; A9-L11 VanDerWaalsContact C-N 3.29Å; A9-L11 PolarHBondContact O-N 2.7Å; L11-F13 PolarHBondContact O-N 3.33Å |
| 12 | N | 70.9 | Confident | 56.3 | Low | 118 Ų | 118 | 127.6 Ų | 127.6 | 63% | 0.631 | 72% | 0.717 | S | S | * | * | | | trans | -81.7 | 91.6 | 176 | -89.9 | -21.9 | 0 | 0 | 0 | 111.2 | | |
| 13 | F | 70.4 | Confident | 55.8 | Low | 173 Ų | 173 | 129.4 Ų | 129.4 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 137.2 | 164.2 | -65.1 | -81.1 | 0 | 0 | 0 | 110.1 | L11 T15 | L11-F13 PolarHBondContact O-N 3.33Å; F13-T15 PolarHBondContact O-N 2.64Å; F13-T15 VanDerWaalsContact O-N 3.17Å |
| 14 | P | 59.3 | Low | 55 | Low | 119 Ų | 119 | 127.6 Ų | 127.6 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -66 | 117 | 177.2 | 26.4 | -33.1 | 0 | 0 | 0 | 110.3 | | |
| 15 | T | 58 | Low | 54 | Low | 133 Ų | 133 | 127.4 Ų | 127.4 | 82% | 0.816 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 123.5 | 169.6 | 12.9 | 0 | 0 | 0 | 0 | 109.9 | F13 | F13-T15 PolarHBondContact O-N 2.64Å; F13-T15 VanDerWaalsContact O-N 3.17Å |
| 16 | P | 55.5 | Low | 52.5 | Low | 111 Ų | 111 | 130 Ų | 130 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 145 | 173.3 | 27.5 | -33.7 | 0 | 0 | 0 | 110 | S18 | P16-S18 PolarHBondContact O-N 3.1Š|
| 17 | P | 55.1 | Low | 51.1 | Low | 127 Ų | 127 | 128.2 Ų | 128.2 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 130 | -175.1 | 25.6 | -34 | 0 | 0 | 0 | 111.6 | S19 | P17-S19 PolarHBondContact O-N 2.98Š|
| 18 | S | 41.8 | Very low | 49.7 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | | | trans | -73 | 85.4 | 176.8 | 58.7 | 0 | 0 | 0 | 0 | 111.2 | P16 T20 | P16-S18 PolarHBondContact O-N 3.1Å; S18-T20 PolarHBondContact O-N 2.84Å; S18-T20 PolarHBondContact O-OG1 3.19Å |
| 19 | S | 35.7 | Very low | 48.2 | Very low | 122 Ų | 122 | 140 Ų | 140 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | trans | -62.2 | 109.6 | 172.9 | -173.8 | 0 | 0 | 0 | 0 | 110.1 | P17 | P17-S19 PolarHBondContact O-N 2.98Š|
| 20 | T | 41.4 | Very low | 47.1 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 61% | 0.607 | 76% | 0.755 | S | S | * | * | | | trans | -132.4 | 119.5 | -176.9 | -31.7 | 0 | 0 | 0 | 0 | 109.3 | S18 | S18-T20 PolarHBondContact O-N 2.84Å; S18-T20 PolarHBondContact O-OG1 3.19Å |
| 21 | K | 39.9 | Very low | 45.4 | Very low | 197 Ų | 197 | 138.3 Ų | 138.3 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | | | trans | 73.4 | 154.9 | 173.5 | -44.3 | 175.5 | -173.5 | 172 | 0 | 114.1 | | |
| 22 | S | 32.8 | Very low | 43.9 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | cis | -147.1 | 142.5 | -0.3 | 45.3 | 0 | 0 | 0 | 0 | 111 | L24 | S22-L24 PolarHBondContact O-N 3.24Š|
| 23 | S | 39.5 | Very low | 42 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | trans | -69.3 | 121.1 | 160.1 | 52.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 24 | L | 35.9 | Very low | 40.2 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | | | trans | -117.1 | 124.2 | 164.1 | -163.6 | 77.3 | 0 | 0 | 0 | 108.6 | S22 F26 | S22-L24 PolarHBondContact O-N 3.24Å; L24-F26 HydrophobicContact CD2-CE2 4.46Å |
| 25 | N | 37.7 | Very low | 38.7 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | -69 | 143.3 | 173 | -65.7 | -69.3 | 0 | 0 | 0 | 110 | | |
| 26 | F | 35.4 | Very low | 37.5 | Very low | 202 Ų | 202 | 145.6 Ų | 145.6 | 89% | 0.886 | 78% | 0.777 | S | S | * | * | | | trans | -133.4 | 131 | 147.4 | -109 | -81.5 | 0 | 0 | 0 | 109.9 | L24 | L24-F26 HydrophobicContact CD2-CE2 4.46Š|
| 27 | E | 31.6 | Very low | 36.3 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 77% | 0.771 | 78% | 0.776 | S | S | * | * | | | trans | -106.2 | 126.3 | -171.8 | -177.5 | 166.5 | 166 | 0 | 0 | 109.7 | | |
| 28 | K | 41 | Very low | 35.2 | Very low | 157 Ų | 157 | 147.5 Ų | 147.5 | 68% | 0.683 | 77% | 0.77 | S | S | * | * | | | trans | 49.4 | 117 | 144.7 | -165.9 | -173.3 | -168.8 | -179 | 0 | 118.7 | | |
| 29 | H | 35.1 | Very low | 35.2 | Very low | 200 Ų | 200 | 151.6 Ų | 151.6 | 93% | 0.926 | 77% | 0.769 | S | S | * | * | | | | -147.8 | 147.5 | 129.2 | -85.1 | -61.2 | 0 | 0 | 0 | 110.7 | | |
| 30 | S | 37.9 | Very low | 35.2 | Very low | 92 Ų | 92 | 157 Ų | 157 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | | | trans | -141.2 | 125.5 | -173.2 | 54.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 31 | E | 34.1 | Very low | 35.3 | Very low | 177 Ų | 177 | 159.1 Ų | 159.1 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | trans | 176.8 | 114.1 | 149.8 | -101.6 | 171.7 | 166.8 | 0 | 0 | 108.4 | | |
| 32 | N | 32.5 | Very low | 35.3 | Very low | 137 Ų | 137 | 156.4 Ų | 156.4 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | | | | 73.2 | 103.7 | 99.4 | -82.8 | -23.5 | 0 | 0 | 0 | 114.8 | | |
| 33 | F | 30.9 | Very low | 35.4 | Very low | 221 Ų | 221 | 155.3 Ų | 155.3 | 97% | 0.969 | 77% | 0.772 | S | S | * | * | | | trans | -141.7 | 142.5 | 137.6 | -100.4 | -75.8 | 0 | 0 | 0 | 110.3 | | |
| 34 | S | 34.1 | Very low | 35.5 | Very low | 93 Ų | 93 | 160.2 Ų | 160.2 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | | | trans | -116.8 | 156.7 | -169.9 | 48.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 35 | W | 27.9 | Very low | 35.9 | Very low | 228 Ų | 228 | 164.5 Ų | 164.5 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | | | trans | 172.8 | 126 | 130.6 | -99 | 42.9 | 0 | 0 | 0 | 111.3 | | |
| 36 | T | 32.8 | Very low | 36.3 | Very low | 101 Ų | 101 | 167.3 Ų | 167.3 | 62% | 0.62 | 78% | 0.777 | S | S | * | * | | | | 22.4 | 145.5 | 126.1 | 58.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 37 | E | 29.3 | Very low | 36.7 | Very low | 148 Ų | 148 | 165.4 Ų | 165.4 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | | | cis | -173.1 | 154.9 | 0.6 | 159 | 166.5 | -163.6 | 0 | 0 | 109.3 | | |
| 38 | N | 32 | Very low | 37.5 | Very low | 130 Ų | 130 | 165 Ų | 165 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | | | trans | 131.7 | 146.8 | 136.4 | -125.4 | -31.6 | 0 | 0 | 0 | 116.8 | | |
| 39 | R | 42.8 | Very low | 37.2 | Very low | 192 Ų | 192 | 163.4 Ų | 163.4 | 73% | 0.725 | 78% | 0.783 | S | S | * | * | | | trans | -97.3 | 154.5 | -169.9 | -67.5 | 162.7 | -91.5 | -178.5 | -9.8 | 110.5 | | |
| 40 | Y | 35.4 | Very low | 37.9 | Very low | 235 Ų | 235 | 159.4 Ų | 159.4 | 92% | 0.922 | 78% | 0.777 | S | S | * | * | | | | -162.4 | 132.8 | 127.3 | -102.4 | -66.9 | 0 | 0 | 0 | 111.2 | | |
| 41 | D | 42.8 | Very low | 38 | Very low | 144 Ų | 144 | 162.1 Ų | 162.1 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | -80.9 | 133.6 | -177.3 | -59.4 | -92 | 0 | 0 | 0 | 113.6 | | |
| 42 | V | 39.7 | Very low | 38.4 | Very low | 140 Ų | 140 | 156.5 Ų | 156.5 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | | | trans | -136.5 | 91.8 | 148.6 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 43 | S | 35.8 | Very low | 38.7 | Very low | 80 Ų | 80 | 158.6 Ų | 158.6 | 56% | 0.559 | 78% | 0.777 | S | S | * | * | | | | 49.3 | 124.4 | 126.2 | -115.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 44 | R | 41.7 | Very low | 38.9 | Very low | 225 Ų | 225 | 155.5 Ų | 155.5 | 85% | 0.849 | 77% | 0.77 | S | S | * | * | | | trans | 80.6 | 140.4 | 148.1 | -54 | 158.4 | -164.3 | -124.4 | 2.5 | 115.7 | | |
| 45 | R | 44.6 | Very low | 39.4 | Very low | 238 Ų | 238 | 156.4 Ų | 156.4 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | | | cis | -149.6 | 131 | 0 | -144.9 | 172 | -177.2 | -126.1 | 4.5 | 109.4 | | |
| 46 | R | 44.7 | Very low | 39.8 | Very low | 208 Ų | 208 | 149 Ų | 149 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -72.6 | 147.1 | 172.5 | -62.6 | 175.5 | 175.7 | -142 | -1.1 | 110.4 | | |
| 47 | H | 43.7 | Very low | 40.1 | Very low | 162 Ų | 162 | 152.8 Ų | 152.8 | 75% | 0.75 | 79% | 0.786 | S | S | * | * | | | | 166.1 | 143.7 | 99.5 | -90.1 | -69.5 | 0 | 0 | 0 | 113.4 | | |
| 48 | N | 48 | Very low | 40.3 | Very low | 156 Ų | 156 | 148.8 Ų | 148.8 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | | | trans | -64.7 | 154 | 161.7 | -58.3 | -33.8 | 0 | 0 | 0 | 111 | | |
| 49 | S | 35.6 | Very low | 40.8 | Very low | 125 Ų | 125 | 153.8 Ų | 153.8 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -142.1 | 120.5 | 152.9 | -66.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 50 | S | 49.1 | Very low | 40.9 | Very low | 116 Ų | 116 | 151 Ų | 151 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -77.2 | 147.7 | 159.1 | 50.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 51 | D | 41.1 | Very low | 41.1 | Very low | 148 Ų | 148 | 147 Ų | 147 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | trans | -151.8 | 154.5 | 145.7 | -148 | -9.8 | 0 | 0 | 0 | 110.7 | | |
| 52 | G | 42.3 | Very low | 40.8 | Very low | 60 Ų | 60 | 144 Ų | 144 | 62% | 0.619 | 80% | 0.799 | S | S | * | * | | | trans | -159.7 | 127.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 53 | F | 38.2 | Very low | 40.6 | Very low | 181 Ų | 181 | 141.1 Ų | 141.1 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | -143.5 | 116.9 | 166.6 | -71.3 | -83.2 | 0 | 0 | 0 | 105.8 | | |
| 54 | D | 35.6 | Very low | 40.9 | Very low | 155 Ų | 155 | 145 Ų | 145 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | | | | 89.1 | 147.3 | 67.8 | -162.4 | 26.8 | 0 | 0 | 0 | 113.1 | | |
| 55 | S | 45.3 | Very low | 41 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | | | trans | -89.1 | 126.7 | -160.8 | -55.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 56 | G | 34.5 | Very low | 40.9 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | -143.4 | 115.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 57 | I | 40.2 | Very low | 40.9 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 92% | 0.918 | 82% | 0.817 | S | S | * | * | | | trans | -52.2 | 135.5 | 169.8 | -73.7 | 68.5 | 0 | 0 | 0 | 111.3 | | |
| 58 | G | 33.9 | Very low | 40.9 | Very low | 65 Ų | 65 | 140.1 Ų | 140.1 | 67% | 0.67 | 82% | 0.822 | S | S | * | * | | | trans | 171.3 | 125.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 59 | R | 42.8 | Very low | 40.7 | Very low | 234 Ų | 234 | 141.8 Ų | 141.8 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 148.9 | 166.8 | -61.8 | 167.6 | 170.4 | -126.3 | 1.8 | 110.6 | | |
| 60 | P | 44.7 | Very low | 41.5 | Very low | 133 Ų | 133 | 144 Ų | 144 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 123.1 | 147.3 | 32 | -25.2 | 0 | 0 | 0 | 110.6 | | |
| 61 | N | 38.5 | Very low | 41.2 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 136.3 | 168.7 | -141.3 | 9.1 | 0 | 0 | 0 | 107.6 | | |
| 62 | G | 37.2 | Very low | 40.9 | Very low | 81 Ų | 81 | 141.4 Ų | 141.4 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | | | trans | 82.2 | 118.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 63 | G | 35.4 | Very low | 40.8 | Very low | 79 Ų | 79 | 150.6 Ų | 150.6 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | | | trans | 177.9 | 61.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F65 | G63-F65 PolarHBondContact O-N 2.9Š|
| 64 | N | 42.9 | Very low | 41.1 | Very low | 160 Ų | 160 | 153.1 Ų | 153.1 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | | | trans | -68.5 | 113 | 174.4 | -112.5 | -7.4 | 0 | 0 | 0 | 110.5 | | |
| 65 | F | 41.8 | Very low | 41.4 | Very low | 213 Ų | 213 | 151.7 Ų | 151.7 | 93% | 0.934 | 83% | 0.832 | S | S | * | * | | | trans | -142.4 | 117.7 | 152.3 | -87.9 | -71.8 | 0 | 0 | 0 | 110.1 | G63 | G63-F65 PolarHBondContact O-N 2.9Š|
| 66 | G | 43.2 | Very low | 41.1 | Very low | 77 Ų | 77 | 155.7 Ų | 155.7 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | | | trans | -86.7 | 149.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 67 | R | 44.5 | Very low | 41 | Very low | 243 Ų | 243 | 155.7 Ų | 155.7 | 92% | 0.917 | 84% | 0.837 | S | S | * | * | | | trans | -150.2 | 94 | 153.9 | -124.7 | 177.3 | -174 | -88.1 | 1 | 111.9 | E69 | R67-E69 PolarHBondContact O-N 3.03Å; R67-E69 VanDerWaalsContact O-N 3.12Å |
| 68 | K | 43.9 | Very low | 41 | Very low | 198 Ų | 198 | 159 Ų | 159 | 86% | 0.861 | 84% | 0.839 | S | S | * | * | | | trans | 14.5 | 84.4 | 151.3 | -171.6 | -175 | 179.7 | 175.8 | 0 | 115.4 | | |
| 69 | E | 44.4 | Very low | 41 | Very low | 192 Ų | 192 | 164.1 Ų | 164.1 | 90% | 0.897 | 85% | 0.85 | S | S | * | * | | | trans | -80 | 137.4 | 158 | 60.9 | -166.6 | 150.3 | 0 | 0 | 109.6 | R67 | R67-E69 PolarHBondContact O-N 3.03Å; R67-E69 VanDerWaalsContact O-N 3.12Å |
| 70 | K | 52.6 | Low | 40.6 | Very low | 172 Ų | 172 | 156.5 Ų | 156.5 | 75% | 0.748 | 84% | 0.844 | S | S | * | * | | | trans | -120.2 | 156.6 | 171.1 | 49.2 | 167.4 | -178.1 | 174.1 | 0 | 107.6 | | |
| 71 | N | 42.1 | Very low | 40.5 | Very low | 132 Ų | 132 | 157 Ų | 157 | 71% | 0.706 | 85% | 0.845 | S | S | * | * | | | trans | 81.1 | 61.8 | 174.6 | -51.7 | 93.9 | 0 | 0 | 0 | 116.5 | | |
| 72 | G | 35 | Very low | 40.6 | Very low | 77 Ų | 77 | 158.6 Ų | 158.6 | 79% | 0.794 | 85% | 0.847 | S | S | * | * | | | trans | -107.9 | 94.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R74 | G72-R74 PolarHBondContact O-N 2.94Š|
| 73 | W | 40.7 | Very low | 40.8 | Very low | 252 Ų | 252 | 161.1 Ų | 161.1 | 96% | 0.955 | 84% | 0.842 | S | S | * | * | | | trans | -76.9 | 107.5 | 164.6 | -76.6 | 100.6 | 0 | 0 | 0 | 108.4 | | |
| 74 | R | 44.3 | Very low | 40.9 | Very low | 235 Ų | 235 | 163.9 Ų | 163.9 | 89% | 0.887 | 84% | 0.837 | S | S | * | * | | | trans | -112.1 | 136.1 | 161.5 | -75.2 | -165.4 | -179.4 | -81.4 | 0.5 | 109.5 | G72 | G72-R74 PolarHBondContact O-N 2.94Š|
| 75 | T | 41.9 | Very low | 40.6 | Very low | 125 Ų | 125 | 163.5 Ų | 163.5 | 77% | 0.767 | 83% | 0.834 | S | S | * | * | | | trans | -73.3 | 153.4 | 174.8 | 40.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 76 | H | 37.7 | Very low | 40.6 | Very low | 196 Ų | 196 | 162 Ų | 162 | 91% | 0.907 | 83% | 0.83 | S | S | * | * | | | trans | 56.2 | 103.3 | 169.5 | -63.6 | -70.8 | 0 | 0 | 0 | 118.7 | | |
| 77 | G | 33.5 | Very low | 40.3 | Very low | 74 Ų | 74 | 170.1 Ų | 170.1 | 76% | 0.763 | 84% | 0.837 | S | S | * | * | | | trans | -130.6 | 133.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 78 | R | 39.2 | Very low | 39.8 | Very low | 249 Ų | 249 | 162.5 Ų | 162.5 | 94% | 0.94 | 83% | 0.834 | S | S | * | * | | | trans | -55.8 | 143.4 | -174.5 | -73.4 | 171.4 | 163.9 | -141.6 | -3.2 | 113.4 | G80 | R78-G80 PolarHBondContact O-N 2.67Š|
| 79 | N | 34.5 | Very low | 39.3 | Very low | 172 Ų | 172 | 156.5 Ų | 156.5 | 92% | 0.92 | 83% | 0.828 | S | S | * | * | | | trans | -62 | 113.4 | 159.9 | -69 | -19.5 | 0 | 0 | 0 | 109.5 | | |
| 80 | G | 34.6 | Very low | 39 | Very low | 73 Ų | 73 | 158.3 Ų | 158.3 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | | | trans | -104.8 | 132 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110 | R78 | R78-G80 PolarHBondContact O-N 2.67Š|
| 81 | T | 42.9 | Very low | 38.4 | Very low | 143 Ų | 143 | 159.1 Ų | 159.1 | 88% | 0.877 | 84% | 0.835 | S | S | * | * | | | trans | -72.9 | 120.6 | -179.7 | 45.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 82 | E | 39.5 | Very low | 38.2 | Very low | 187 Ų | 187 | 156.9 Ų | 156.9 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | | | trans | -140.9 | 135.5 | 153.3 | -67.7 | -164.8 | -118.6 | 0 | 0 | 110.9 | | |
| 83 | N | 42.2 | Very low | 38.1 | Very low | 134 Ų | 134 | 157 Ų | 157 | 72% | 0.717 | 84% | 0.844 | S | S | * | * | | | trans | -90.4 | 156.4 | 173.2 | 59.7 | 86.7 | 0 | 0 | 0 | 109.4 | | |
| 84 | I | 38.3 | Very low | 37.9 | Very low | 138 Ų | 138 | 152.2 Ų | 152.2 | 71% | 0.708 | 84% | 0.837 | S | S | * | * | | | trans | -164.8 | 124.8 | 145.5 | -94.1 | 136 | 0 | 0 | 0 | 107.8 | | |
| 85 | N | 37 | Very low | 37.5 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 81% | 0.807 | 83% | 0.831 | S | S | * | * | | | trans | -97.1 | 127 | 170.9 | -72.5 | -69.6 | 0 | 0 | 0 | 109.2 | | |
| 86 | H | 40 | Very low | 37.3 | Very low | 183 Ų | 183 | 151.1 Ų | 151.1 | 85% | 0.847 | 84% | 0.835 | S | S | * | * | | | trans | -136.4 | 154.2 | 155 | -74.4 | -53.9 | 0 | 0 | 0 | 111.5 | | |
| 87 | R | 37.8 | Very low | 37.2 | Very low | 246 Ų | 246 | 147.7 Ų | 147.7 | 93% | 0.928 | 83% | 0.834 | S | S | * | * | | | trans | -130.9 | 124.7 | -147.9 | -179.6 | -172.6 | -165.9 | -114.7 | 7.8 | 111.3 | | |
| 88 | G | 33.8 | Very low | 37.3 | Very low | 84 Ų | 84 | 156 Ų | 156 | 87% | 0.866 | 84% | 0.842 | S | S | * | * | | | trans | 83.2 | 146.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 89 | G | 33.2 | Very low | 36.9 | Very low | 71 Ų | 71 | 149.7 Ų | 149.7 | 73% | 0.732 | 84% | 0.836 | S | S | * | * | | | trans | 161.2 | 89.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | H91 | G89-H91 PolarHBondContact O-N 2.8Š|
| 90 | Y | 39.2 | Very low | 36.7 | Very low | 230 Ų | 230 | 145.5 Ų | 145.5 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | | | trans | -83.3 | 104.1 | 174.6 | -78.2 | -94.5 | 0 | 0 | 0 | 111.6 | | |
| 91 | H | 39.7 | Very low | 36.9 | Very low | 190 Ų | 190 | 148.9 Ų | 148.9 | 88% | 0.88 | 82% | 0.82 | S | S | * | * | | | trans | -150.1 | 138.2 | 155.2 | -59.6 | -68.2 | 0 | 0 | 0 | 106.8 | G89 | G89-H91 PolarHBondContact O-N 2.8Š|
| 92 | G | 36.6 | Very low | 36.3 | Very low | 85 Ų | 85 | 150.7 Ų | 150.7 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | | | cis | 102 | 70.7 | 24.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 93 | G | 33.6 | Very low | 36.3 | Very low | 79 Ų | 79 | 150.5 Ų | 150.5 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | | | trans | -178.7 | 107.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 94 | N | 35.8 | Very low | 35.9 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 81% | 0.807 | 82% | 0.823 | S | S | * | * | | | trans | -104.6 | 123.8 | 175.8 | 178.5 | 61 | 0 | 0 | 0 | 109.2 | | |
| 95 | S | 35.9 | Very low | 35.6 | Very low | 110 Ų | 110 | 147.4 Ų | 147.4 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | | | trans | -141.6 | 95.8 | 176 | 47.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 96 | R | 39.3 | Very low | 35.9 | Very low | 227 Ų | 227 | 150.4 Ų | 150.4 | 86% | 0.857 | 83% | 0.834 | S | S | * | * | | | trans | -86.5 | 120.2 | 164.6 | -68.2 | 179.9 | 175 | -171.7 | -3.1 | 109 | | |
| 97 | S | 34.6 | Very low | 35.7 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 87% | 0.867 | 84% | 0.836 | S | S | * | * | | | trans | -95.6 | 98.2 | 172.3 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 98 | R | 34.8 | Very low | 35.6 | Very low | 248 Ų | 248 | 145.2 Ų | 145.2 | 94% | 0.936 | 84% | 0.835 | S | S | * | * | | | trans | -96.9 | 125.1 | 158.4 | -85.9 | -172.6 | 163.4 | -152.6 | -4.6 | 108.1 | | |
| 99 | S | 31.6 | Very low | 35.6 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | | | trans | -98.8 | 132.8 | 163.4 | -170.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 100 | S | 29.5 | Very low | 35.7 | Very low | 84 Ų | 84 | 149.8 Ų | 149.8 | 59% | 0.587 | 84% | 0.838 | S | S | * | * | | | trans | -148.1 | 118.8 | -176.9 | 154.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 101 | I | 38.8 | Very low | 35.3 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 73% | 0.733 | 83% | 0.83 | S | S | * | * | | | trans | -127.1 | 115.5 | 173.4 | -63.7 | 174.8 | 0 | 0 | 0 | 107 | | |
| 102 | F | 31.5 | Very low | 34.9 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 80% | 0.798 | 82% | 0.822 | S | S | * | * | | | trans | -94.4 | 146.2 | 174 | -77.4 | -91.7 | 0 | 0 | 0 | 110.1 | | |
| 103 | H | 39.2 | Very low | 35.2 | Very low | 183 Ų | 183 | 147.8 Ų | 147.8 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | | | trans | -122.4 | 142.1 | 152.9 | -74 | -61.4 | 0 | 0 | 0 | 109.4 | | |
| 104 | S | 33 | Very low | 35 | Very low | 127 Ų | 127 | 150 Ų | 150 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | | | trans | -105.8 | 140.2 | -169.1 | 54 | 0 | 0 | 0 | 0 | 112.6 | | |
| 105 | G | 32.5 | Very low | 34.9 | Very low | 79 Ų | 79 | 150.1 Ų | 150.1 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | | | trans | -155.8 | 140.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 106 | K | 43.3 | Very low | 35.6 | Very low | 215 Ų | 215 | 150.1 Ų | 150.1 | 94% | 0.935 | 82% | 0.819 | S | S | * | * | | | trans | -116.2 | 141.6 | -175.5 | -62.2 | 171 | 177.5 | 175.8 | 0 | 110.8 | | |
| 107 | S | 35.6 | Very low | 35.2 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | | | trans | -157.3 | 167.1 | 152.2 | 58.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 108 | Q | 35.5 | Very low | 35.1 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | trans | -152.6 | 117 | -150.3 | 176.7 | 180 | -22.2 | 0 | 0 | 112.8 | | |
| 109 | G | 34.9 | Very low | 35 | Very low | 72 Ų | 72 | 144.5 Ų | 144.5 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | | | trans | 81.3 | 168.6 | 149.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 110 | L | 34.7 | Very low | 35.5 | Very low | 178 Ų | 178 | 145.5 Ų | 145.5 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | | | trans | 78.8 | 146.3 | 176.2 | -48 | 178.8 | 0 | 0 | 0 | 116.6 | | |
| 111 | H | 31.3 | Very low | 35.5 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | | | cis | 164.7 | 151.6 | -39.5 | -179.9 | -130.4 | 0 | 0 | 0 | 107 | | |
| 112 | E | 32 | Very low | 35.7 | Very low | 156 Ų | 156 | 150.2 Ų | 150.2 | 73% | 0.729 | 83% | 0.832 | S | S | * | * | | | trans | 89.4 | 144.9 | 169.6 | -49 | -160.3 | 178.4 | 0 | 0 | 120.7 | | |
| 113 | N | 41.4 | Very low | 36.2 | Very low | 152 Ų | 152 | 150.5 Ų | 150.5 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | | | trans | -110 | 163.2 | -168.2 | -40.6 | -57.8 | 0 | 0 | 0 | 110.3 | | |
| 114 | S | 30.8 | Very low | 36 | Very low | 126 Ų | 126 | 149.9 Ų | 149.9 | 88% | 0.881 | 83% | 0.83 | S | S | * | * | | | trans | -163.2 | 126.8 | 148.9 | -81.9 | 0 | 0 | 0 | 0 | 113 | | |
| 115 | I | 32 | Very low | 36.1 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | | | trans | -106.3 | 151.8 | 170.9 | -73.6 | 167.6 | 0 | 0 | 0 | 105.2 | | |
| 116 | P | 51.3 | Low | 36.5 | Very low | 110 Ų | 110 | 155.8 Ų | 155.8 | 71% | 0.714 | 82% | 0.823 | S | S | * | * | | | cis | -148.8 | 166.4 | 49.4 | 28.2 | -1.7 | 0 | 0 | 0 | 120.7 | | |
| 117 | D | 31.3 | Very low | 36.2 | Very low | 143 Ų | 143 | 155.8 Ų | 155.8 | 77% | 0.765 | 82% | 0.817 | S | S | * | * | | | trans | 11.6 | 138.9 | 138.5 | -45.3 | -31.7 | 0 | 0 | 0 | 122.6 | | |
| 118 | N | 32.9 | Very low | 36.4 | Very low | 154 Ų | 154 | 158.4 Ų | 158.4 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | | | | -168.9 | 147.5 | 108 | 55.9 | 27.1 | 0 | 0 | 0 | 118.1 | | |
| 119 | E | 32.6 | Very low | 36.7 | Very low | 183 Ų | 183 | 160 Ų | 160 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | | | trans | 21 | 126.3 | 154.4 | -62.4 | -172.3 | 122.8 | 0 | 0 | 125.8 | | |
| 120 | T | 41.5 | Very low | 37.1 | Very low | 140 Ų | 140 | 167 Ų | 167 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | | | trans | -31.5 | 145 | 156.1 | 55.3 | 0 | 0 | 0 | 0 | 120.4 | | |
| 121 | G | 30.2 | Very low | 37.5 | Very low | 83 Ų | 83 | 167.1 Ų | 167.1 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | | | trans | -143.3 | 133.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 122 | R | 42.9 | Very low | 37.7 | Very low | 242 Ų | 242 | 169.2 Ų | 169.2 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | | | trans | -98.5 | 151.8 | -174.7 | -47.7 | 174.2 | -174.7 | -176.1 | 0.7 | 112.4 | | |
| 123 | K | 40.4 | Very low | 38.1 | Very low | 189 Ų | 189 | 170.4 Ų | 170.4 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | | | trans | -172.5 | 120 | 139.3 | -72.7 | -135.4 | 177.9 | -167.1 | 0 | 109.6 | | |
| 124 | E | 36.7 | Very low | 38.3 | Very low | 169 Ų | 169 | 167.6 Ų | 167.6 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | | | | 72 | 85.9 | 76 | -164.6 | 170.5 | -133.6 | 0 | 0 | 112.9 | | |
| 125 | D | 34.8 | Very low | 39.3 | Very low | 120 Ų | 120 | 169.6 Ų | 169.6 | 64% | 0.642 | 82% | 0.819 | S | S | * | * | | | | 67.9 | 112.3 | 89.8 | -163.3 | 30.1 | 0 | 0 | 0 | 116.8 | | |
| 126 | K | 39.6 | Very low | 40.8 | Very low | 210 Ų | 210 | 169.9 Ų | 169.9 | 91% | 0.913 | 82% | 0.823 | S | S | * | * | | | trans | -147 | 108 | 153.6 | -81.5 | -165.8 | 177.5 | 179.7 | 0 | 109.8 | | |
| 127 | R | 37.1 | Very low | 41.1 | Very low | 216 Ų | 216 | 173.3 Ų | 173.3 | 82% | 0.815 | 83% | 0.826 | S | S | * | * | | | trans | -107.9 | 113.1 | 168.6 | -62.1 | -177.6 | -163.8 | -143.3 | 1.9 | 110.9 | R129 | R127-R129 PolarHBondContact O-N 3.42Š|
| 128 | E | 40.8 | Very low | 42.1 | Very low | 182 Ų | 182 | 172 Ų | 172 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | | | trans | -79.6 | 103.9 | 161.4 | -70.3 | -173 | -177.8 | 0 | 0 | 109.6 | R130 | E128-R130 PolarHBondContact O-N 2.81Š|
| 129 | R | 41.3 | Very low | 43 | Very low | 226 Ų | 226 | 169.7 Ų | 169.7 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | | | trans | -75.2 | 107.3 | 170.6 | -86.4 | -177.9 | 165.7 | 131.1 | -3.7 | 109.7 | R127 | R127-R129 PolarHBondContact O-N 3.42Š|
| 130 | R | 44.1 | Very low | 43.7 | Very low | 220 Ų | 220 | 169.5 Ų | 169.5 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 121 | 154.9 | -68.9 | -175.2 | 177.1 | -103.6 | -3.5 | 108.5 | E128 | E128-R130 PolarHBondContact O-N 2.81Š|
| 131 | Q | 42 | Very low | 43.7 | Very low | 180 Ų | 180 | 169 Ų | 169 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 136.1 | 169.2 | -66.9 | -176.5 | -17 | 0 | 0 | 108.2 | | |
| 132 | F | 36 | Very low | 44.8 | Very low | 200 Ų | 200 | 169.8 Ų | 169.8 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 129.7 | 165.4 | -80.7 | -85.2 | 0 | 0 | 0 | 108.6 | | |
| 133 | E | 40.4 | Very low | 44.5 | Very low | 180 Ų | 180 | 166.9 Ų | 166.9 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 124.5 | 169.6 | -173.2 | 164.7 | -164.4 | 0 | 0 | 108.3 | | |
| 134 | A | 45.8 | Very low | 44.6 | Very low | 94 Ų | 94 | 167.7 Ų | 167.7 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | | | trans | -99.6 | 100.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | D136 | A134-D136 PolarHBondContact O-N 3.34Š|
| 135 | E | 50.8 | Low | 44.7 | Very low | 167 Ų | 167 | 169.1 Ų | 169.1 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | | | trans | -62.5 | 119.8 | 171.5 | -66.9 | 173 | 134.1 | 0 | 0 | 108.6 | F137 | E135-F137 PolarHBondContact O-N 3.07Š|
| 136 | D | 63.9 | Low | 45.3 | Very low | 160 Ų | 160 | 174.1 Ų | 174.1 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | | | trans | -75.2 | 115.2 | -176.4 | -167.8 | 20.2 | 0 | 0 | 0 | 109.6 | A134 | A134-D136 PolarHBondContact O-N 3.34Š|
| 137 | F | 58.4 | Low | 45.2 | Very low | 182 Ų | 182 | 172.9 Ų | 172.9 | 80% | 0.798 | 82% | 0.818 | S | S | * | * | | | trans | -69.6 | 124.7 | 179.1 | -76.3 | -86.3 | 0 | 0 | 0 | 109.3 | E135 S139 | E135-F137 PolarHBondContact O-N 3.07Å; F137-S139 PolarHBondContact O-N 3.42Å |
| 138 | P | 52.4 | Low | 45.5 | Very low | 116 Ų | 116 | 167.9 Ų | 167.9 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | | | trans | -60.8 | 114.6 | 173.5 | 25.9 | -32.9 | 0 | 0 | 0 | 108.1 | L140 | P138-L140 PolarHBondContact O-N 3.22Å; P138-L140 VanDerWaalsContact O-N 3.15Å |
| 139 | S | 52.2 | Low | 45.2 | Very low | 105 Ų | 105 | 165.5 Ų | 165.5 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | | | trans | -55.7 | 123.5 | -176.2 | 58.9 | 0 | 0 | 0 | 0 | 109.7 | F137 N141 | F137-S139 PolarHBondContact O-N 3.42Å; S139-N141 PolarHBondContact O-N 2.87Å |
| 140 | L | 45.9 | Very low | 45.7 | Very low | 178 Ų | 178 | 163.5 Ų | 163.5 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | | | trans | -70.8 | 65.6 | 173.5 | -71.3 | 173.7 | 0 | 0 | 0 | 110.8 | P138 P142 | P138-L140 PolarHBondContact O-N 3.22Å; P138-L140 VanDerWaalsContact O-N 3.15Å; L140-P142 WeakPolarHBondContact O-CD 3.5Å |
| 141 | N | 43 | Very low | 45.4 | Very low | 129 Ų | 129 | 159.5 Ų | 159.5 | 69% | 0.69 | 80% | 0.802 | S | S | * | * | | | trans | -92.5 | 108.9 | 161.4 | -156.5 | 24.8 | 0 | 0 | 0 | 105.3 | S139 E143 | S139-N141 PolarHBondContact O-N 2.87Å; N141-E143 PolarHBondContact O-N 3.22Å |
| 142 | P | 51.6 | Low | 45.4 | Very low | 100 Ų | 100 | 160.3 Ų | 160.3 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | | | trans | -65.3 | 104.1 | 173.8 | 26.4 | -31.6 | 0 | 0 | 0 | 107.7 | L140 Y144 | L140-P142 WeakPolarHBondContact O-CD 3.5Å; P142-Y144 PolarHBondContact O-N 3.46Å |
| 143 | E | 36.3 | Very low | 45.5 | Very low | 181 Ų | 181 | 156 Ų | 156 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | -54.6 | 110.1 | 166.6 | -66.5 | -174.4 | 150.6 | 0 | 0 | 107.2 | N141 E145 | N141-E143 PolarHBondContact O-N 3.22Å; E143-E145 PolarHBondContact O-N 3.48Å |
| 144 | Y | 42.5 | Very low | 45.6 | Very low | 206 Ų | 206 | 156 Ų | 156 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | | | trans | -64.4 | 106.3 | 172.5 | -99.8 | -101.8 | 0 | 0 | 0 | 107.5 | P142 R146 | P142-Y144 PolarHBondContact O-N 3.46Å; Y144-R146 PolarHBondContact O-N 3.37Å |
| 145 | E | 40.4 | Very low | 45.1 | Very low | 199 Ų | 199 | 156.7 Ų | 156.7 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | | | trans | -49.2 | 106.9 | 164.8 | -71.2 | -174.9 | 147 | 0 | 0 | 108.6 | E143 | E143-E145 PolarHBondContact O-N 3.48Š|
| 146 | R | 47 | Very low | 44.2 | Very low | 226 Ų | 226 | 154 Ų | 154 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | | | trans | -128.2 | 73.2 | 175.7 | -167.8 | -171.3 | -67.9 | -178.6 | -0.3 | 109.6 | Y144 | Y144-R146 PolarHBondContact O-N 3.37Š|
| 147 | E | 36.9 | Very low | 43 | Very low | 183 Ų | 183 | 149.1 Ų | 149.1 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | trans | -82.2 | 156.7 | 158.7 | -81.6 | -114.8 | 137.3 | 0 | 0 | 110.5 | | |
| 148 | P | 44.1 | Very low | 42 | Very low | 112 Ų | 112 | 147 Ų | 147 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | trans | -93.6 | 137.7 | -139.3 | 33 | -35.6 | 0 | 0 | 0 | 114.5 | | |
| 149 | N | 34.3 | Very low | 41.3 | Very low | 131 Ų | 131 | 153.7 Ų | 153.7 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | | | trans | -130 | 118.3 | 163.4 | -161.3 | -49.7 | 0 | 0 | 0 | 110.7 | N151 | N149-N151 PolarHBondContact O-N 2.97Å; N149-N151 VanDerWaalsContact O-N 3.08Å; N149-N151 PolarHBondContact OD1-ND2 3.05Å |
| 150 | Q | 51 | Low | 40.5 | Very low | 184 Ų | 184 | 152 Ų | 152 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | trans | -82.8 | 77.3 | -170.9 | -68.7 | -162.6 | -7.5 | 0 | 0 | 113.3 | | |
| 151 | N | 37.3 | Very low | 40.2 | Very low | 137 Ų | 137 | 151.8 Ų | 151.8 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | | | trans | -111.4 | 122.6 | 173.1 | -61.6 | -39.4 | 0 | 0 | 0 | 111.3 | N149 | N149-N151 PolarHBondContact O-N 2.97Å; N149-N151 VanDerWaalsContact O-N 3.08Å; N149-N151 PolarHBondContact OD1-ND2 3.05Å |
| 152 | K | 43.2 | Very low | 40 | Very low | 197 Ų | 197 | 152.7 Ų | 152.7 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | | | trans | -74.6 | 161.4 | -161.9 | -60.1 | 160.5 | -177.4 | 172.1 | 0 | 114 | | |
| 153 | S | 39 | Very low | 39.4 | Very low | 110 Ų | 110 | 152.5 Ų | 152.5 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | | | trans | 93.3 | 89.8 | 150.6 | -52 | 0 | 0 | 0 | 0 | 120.1 | | |
| 154 | L | 40.9 | Very low | 39.3 | Very low | 179 Ų | 179 | 150 Ų | 150 | 94% | 0.937 | 81% | 0.807 | S | S | * | * | | | | 22.8 | 117.7 | 121.9 | -68.7 | 161.7 | 0 | 0 | 0 | 119.5 | | |
| 155 | A | 35.5 | Very low | 39 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | | | trans | -155.7 | 129.4 | 134.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 156 | A | 33.1 | Very low | 38.9 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | | | trans | -107.6 | 152.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 157 | G | 38.7 | Very low | 38.3 | Very low | 59 Ų | 59 | 139.9 Ų | 139.9 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | | | trans | 164.8 | 80.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 158 | V | 35.8 | Very low | 38.4 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | | 54.3 | 89.3 | 77.9 | -171.2 | 0 | 0 | 0 | 0 | 111.2 | G160 | V158-G160 PolarHBondContact O-N 3.05Š|
| 159 | W | 39.1 | Very low | 38.7 | Very low | 257 Ų | 257 | 142.1 Ų | 142.1 | 97% | 0.973 | 80% | 0.798 | S | S | * | * | | | trans | -75 | 97.6 | 169.4 | -73.6 | 91.1 | 0 | 0 | 0 | 109.8 | L161 | W159-L161 PolarHBondContact O-N 2.96Š|
| 160 | G | 34.8 | Very low | 39 | Very low | 70 Ų | 70 | 141.8 Ų | 141.8 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | | | trans | -80.2 | 105.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V158 H162 | V158-G160 PolarHBondContact O-N 3.05Å; G160-H162 PolarHBondContact O-N 3.08Å |
| 161 | L | 40.1 | Very low | 38.4 | Very low | 174 Ų | 174 | 143 Ų | 143 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | | | trans | -68.2 | 119 | 167.5 | -166 | 87.4 | 0 | 0 | 0 | 109 | W159 | W159-L161 PolarHBondContact O-N 2.96Š|
| 162 | H | 37.7 | Very low | 38.6 | Very low | 148 Ų | 148 | 146 Ų | 146 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | | | trans | -133.2 | 96.9 | 169.6 | -159.9 | 69.3 | 0 | 0 | 0 | 111.6 | G160 Q164 | G160-H162 PolarHBondContact O-N 3.08Å; H162-Q164 PolarHBondContact NE2-OE1 3.17Å |
| 163 | A | 39.3 | Very low | 38.3 | Very low | 95 Ų | 95 | 144.8 Ų | 144.8 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -83.3 | 122.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 164 | Q | 35.6 | Very low | 38.1 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 61% | 0.607 | 81% | 0.808 | S | S | * | * | | | trans | -139.1 | 104 | 167.3 | -167.2 | 130.9 | 31.8 | 0 | 0 | 111.3 | H162 | H162-Q164 PolarHBondContact NE2-OE1 3.17Š|
| 165 | T | 35.3 | Very low | 37.8 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | -67.7 | 123.4 | 166.2 | 49.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 166 | H | 37.7 | Very low | 38 | Very low | 161 Ų | 161 | 144 Ų | 144 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | | | trans | -146.8 | 122.8 | 152.3 | -82.6 | -57.8 | 0 | 0 | 0 | 113.6 | | |
| 167 | T | 35.8 | Very low | 38.6 | Very low | 129 Ų | 129 | 144.9 Ų | 144.9 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | trans | -32.5 | 144.2 | 164.9 | -39.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 168 | Y | 37.1 | Very low | 38.7 | Very low | 214 Ų | 214 | 150 Ų | 150 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | -57.9 | 162.7 | 171.4 | -60.1 | -86.6 | 0 | 0 | 0 | 114.3 | | |
| 169 | P | 52.4 | Low | 38.7 | Very low | 128 Ų | 128 | 151 Ų | 151 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | | | | -134.2 | 170.3 | 104 | 38.4 | -30 | 0 | 0 | 0 | 115.4 | | |
| 170 | T | 38.7 | Very low | 38.3 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 77% | 0.767 | 80% | 0.798 | S | S | * | * | | | trans | -86.8 | 148.6 | -172.3 | 45.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 171 | K | 38.5 | Very low | 38.7 | Very low | 208 Ų | 208 | 153.3 Ų | 153.3 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | | | | -174.5 | 155.9 | 127.3 | -100.7 | 160.7 | -171.8 | 179.1 | 0 | 112.7 | | |
| 172 | K | 42.8 | Very low | 38.9 | Very low | 200 Ų | 200 | 150.2 Ų | 150.2 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | | | trans | -81.9 | 154.1 | -172.8 | -55.8 | -177.8 | 177.4 | -174.2 | 0 | 112.5 | | |
| 173 | I | 35.9 | Very low | 39 | Very low | 172 Ų | 172 | 149.4 Ų | 149.4 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | | | trans | -157 | 149.4 | 136.6 | -97.4 | 143.7 | 0 | 0 | 0 | 108.9 | | |
| 174 | S | 36.3 | Very low | 39.3 | Very low | 100 Ų | 100 | 150.7 Ų | 150.7 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | | | trans | -81.2 | 141.3 | -179.5 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 175 | Q | 33.7 | Very low | 39.6 | Very low | 185 Ų | 185 | 149.8 Ų | 149.8 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | | 178.6 | 143 | 118.8 | -100.8 | 173.2 | 9 | 0 | 0 | 111.1 | | |
| 176 | A | 39.4 | Very low | 39.9 | Very low | 97 Ų | 97 | 152.7 Ų | 152.7 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | | | trans | -83.5 | 149.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 177 | P | 46.8 | Very low | 40.2 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | | -121.1 | 157.7 | 129.3 | 0.2 | 20.4 | 0 | 0 | 0 | 112.8 | | |
| 178 | L | 40.4 | Very low | 40.7 | Very low | 166 Ų | 166 | 155.9 Ų | 155.9 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | | | trans | -67.3 | 175.6 | 170 | -71.5 | 154.2 | 0 | 0 | 0 | 112.3 | | |
| 179 | L | 35.2 | Very low | 40.9 | Very low | 158 Ų | 158 | 149.5 Ų | 149.5 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | | | trans | 103.2 | 135.6 | 178.5 | -60.5 | 164.7 | 0 | 0 | 0 | 112.6 | | |
| 180 | E | 31.6 | Very low | 40.5 | Very low | 163 Ų | 163 | 149.3 Ų | 149.3 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | cis | -155.9 | -179 | -6.3 | -151.2 | 167.4 | 155.1 | 0 | 0 | 110 | | |
| 181 | Y | 41.6 | Very low | 41.2 | Very low | 212 Ų | 212 | 154.7 Ų | 154.7 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | | | trans | -61.2 | 156.6 | -166.6 | -76.7 | -93.2 | 0 | 0 | 0 | 117.8 | | |
| 182 | P | 44.3 | Very low | 41.7 | Very low | 109 Ų | 109 | 152.3 Ų | 152.3 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | | | trans | -77.2 | 143.8 | 173.4 | 32.5 | -35.5 | 0 | 0 | 0 | 112.9 | N184 | P182-N184 PolarHBondContact O-N 2.6Å; P182-N184 VanDerWaalsContact O-N 3.14Å |
| 183 | P | 41.2 | Very low | 42.5 | Very low | 131 Ų | 131 | 150.7 Ų | 150.7 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | | | trans | -78.1 | 99.2 | 174.9 | 31 | -33.4 | 0 | 0 | 0 | 111.7 | P185 | P183-P185 WeakPolarHBondContact O-CD 3.37Š|
| 184 | N | 44.3 | Very low | 43.5 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 66% | 0.658 | 79% | 0.789 | S | S | * | * | | | trans | -96.3 | 118.2 | 161.5 | 175.9 | 3.2 | 0 | 0 | 0 | 110.2 | P182 K186 | P182-N184 PolarHBondContact O-N 2.6Å; P182-N184 VanDerWaalsContact O-N 3.14Å; N184-K186 PolarHBondContact OD1-N 2.92Å; N184-K186 VanDerWaalsContact OD1-N 3.1Å |
| 185 | P | 41.7 | Very low | 44.3 | Very low | 111 Ų | 111 | 150.5 Ų | 150.5 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | | | trans | -109.7 | 104.5 | 155 | 32.9 | -24 | 0 | 0 | 0 | 111.5 | P183 S187 | P183-P185 WeakPolarHBondContact O-CD 3.37Å; P185-S187 PolarHBondContact O-N 2.87Å |
| 186 | K | 42.1 | Very low | 45.4 | Very low | 188 Ų | 188 | 150.5 Ų | 150.5 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | | | trans | -62.4 | 98.7 | 164.6 | -67.2 | 176.3 | 177.4 | 177.9 | 0 | 110.3 | N184 | N184-K186 PolarHBondContact OD1-N 2.92Å; N184-K186 VanDerWaalsContact OD1-N 3.1Å |
| 187 | S | 44.1 | Very low | 46.4 | Very low | 112 Ų | 112 | 155.2 Ų | 155.2 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | | | trans | 177.9 | 84.2 | 145.5 | 57.9 | 0 | 0 | 0 | 0 | 112.4 | P185 | P185-S187 PolarHBondContact O-N 2.87Š|
| 188 | R | 47 | Very low | 45.9 | Very low | 245 Ų | 245 | 152.3 Ų | 152.3 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | | | trans | -112.2 | 69.7 | 160.4 | -162.9 | 173.6 | -175.5 | 172.5 | -0.2 | 110.2 | | |
| 189 | A | 40.8 | Very low | 46.2 | Very low | 80 Ų | 80 | 151.6 Ų | 151.6 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | | | trans | -60.5 | 134.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | R191 | A189-R191 PolarHBondContact O-N 2.95Š|
| 190 | P | 44.5 | Very low | 46.6 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | | | trans | -68 | 106.4 | 176.4 | 27.3 | -32.7 | 0 | 0 | 0 | 109.2 | M192 | P190-M192 VanDerWaalsContact C-N 3.27Å; P190-M192 PolarHBondContact O-N 2.8Å |
| 191 | R | 52.4 | Low | 47.4 | Very low | 238 Ų | 238 | 151.9 Ų | 151.9 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | -74.6 | 84.2 | 169.9 | -80.9 | -174.1 | 156.4 | -175.4 | -6 | 109.4 | A189 L193 | A189-R191 PolarHBondContact O-N 2.95Å; R191-L193 PolarHBondContact O-N 3.5Å |
| 192 | M | 49.4 | Very low | 47.5 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | -54 | 121 | 166 | -177.9 | 170.1 | 60.6 | 0 | 0 | 109.2 | P190 V194 | P190-M192 VanDerWaalsContact C-N 3.27Å; P190-M192 PolarHBondContact O-N 2.8Å; M192-V194 VanDerWaalsContact C-N 3.29Å; M192-V194 HydrophobicContact CE-CG2 3.92Å; M192-V194 HydrophobicContact CG-CG2 4.26Å; M192-V194 PolarHBondContact O-N 2.76Å |
| 193 | L | 59.8 | Low | 47.4 | Very low | 165 Ų | 165 | 152.4 Ų | 152.4 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | -75.3 | 80.6 | -179.6 | -72 | 171 | 0 | 0 | 0 | 110.3 | R191 I195 | R191-L193 PolarHBondContact O-N 3.5Å; L193-I195 PolarHBondContact O-N 3.18Å; L193-I195 VanDerWaalsContact O-N 3.17Å |
| 194 | V | 57 | Low | 47.3 | Very low | 104 Ų | 104 | 155.3 Ų | 155.3 | 63% | 0.63 | 80% | 0.803 | S | S | * | * | | | trans | -73.7 | 105.2 | 173.1 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | M192 K196 | M192-V194 VanDerWaalsContact C-N 3.29Å; M192-V194 HydrophobicContact CE-CG2 3.92Å; M192-V194 HydrophobicContact CG-CG2 4.26Å; M192-V194 PolarHBondContact O-N 2.76Å; V194-K196 HydrophobicContact CG1-CB 4.46Å; V194-K196 PolarHBondContact O-N 3.4Å |
| 195 | I | 53.4 | Low | 46.9 | Very low | 164 Ų | 164 | 158 Ų | 158 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | | | trans | -71.4 | 80.1 | 170.8 | -56 | 175.9 | 0 | 0 | 0 | 108.6 | L193 K197 | L193-I195 PolarHBondContact O-N 3.18Å; L193-I195 VanDerWaalsContact O-N 3.17Å; I195-K197 PolarHBondContact O-N 2.81Å |
| 196 | K | 56.1 | Low | 46.9 | Very low | 185 Ų | 185 | 158.2 Ų | 158.2 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | trans | -79.6 | 99.3 | 174.4 | -171 | 173.2 | -178.6 | 177.6 | 0 | 109.5 | V194 G198 | V194-K196 HydrophobicContact CG1-CB 4.46Å; V194-K196 PolarHBondContact O-N 3.4Å; K196-G198 PolarHBondContact O-N 3.31Å |
| 197 | K | 60.3 | Low | 46.4 | Very low | 196 Ų | 196 | 152.6 Ų | 152.6 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | | | trans | -55.2 | 103.7 | 168.7 | -179.5 | 177.3 | 178.2 | 176.5 | 0 | 109.8 | I195 | I195-K197 PolarHBondContact O-N 2.81Š|
| 198 | G | 37.2 | Very low | 46.1 | Very low | 66 Ų | 66 | 156.9 Ų | 156.9 | 68% | 0.68 | 82% | 0.82 | S | S | * | * | | | trans | -73.4 | 132.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K196 | K196-G198 PolarHBondContact O-N 3.31Š|
| 199 | N | 46.4 | Very low | 46.1 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | | | trans | -103.6 | 114.5 | 161.7 | 51.4 | -7.2 | 0 | 0 | 0 | 108.8 | K201 | N199-K201 PolarHBondContact O-N 2.65Å; N199-K201 VanDerWaalsContact O-N 3.17Å |
| 200 | T | 44.2 | Very low | 45.7 | Very low | 142 Ų | 142 | 154.2 Ų | 154.2 | 87% | 0.871 | 83% | 0.825 | S | S | * | * | | | trans | -77.1 | 100.2 | -175.5 | 47.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 201 | K | 48.4 | Very low | 45.2 | Very low | 186 Ų | 186 | 152.9 Ų | 152.9 | 81% | 0.809 | 83% | 0.825 | S | S | * | * | | | trans | -144.1 | 102.7 | 158.7 | -64 | -167.4 | -178.5 | -173 | 0 | 110.3 | N199 | N199-K201 PolarHBondContact O-N 2.65Å; N199-K201 VanDerWaalsContact O-N 3.17Å |
| 202 | D | 42 | Very low | 44.1 | Very low | 160 Ų | 160 | 145.6 Ų | 145.6 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | | | trans | 34.9 | 100.4 | 145.4 | -43.5 | -33 | 0 | 0 | 0 | 118.5 | | |
| 203 | L | 43.8 | Very low | 43.4 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | | | trans | -131.7 | 111.4 | 158.2 | -95.4 | 164 | 0 | 0 | 0 | 109.7 | | |
| 204 | Q | 39.3 | Very low | 42.1 | Very low | 191 Ų | 191 | 145 Ų | 145 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | | | trans | -70.4 | 133.7 | 178.8 | -65.4 | 175.4 | -2.2 | 0 | 0 | 110.5 | S206 | Q204-S206 PolarHBondContact O-N 3.49Š|
| 205 | L | 35.7 | Very low | 40.9 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 95% | 0.948 | 83% | 0.829 | S | S | * | * | | | trans | -79.4 | 108.4 | 173.7 | -73.8 | 156.3 | 0 | 0 | 0 | 109.6 | | |
| 206 | S | 41.6 | Very low | 39.9 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 116.9 | 169.5 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | Q204 | Q204-S206 PolarHBondContact O-N 3.49Š|
| 207 | G | 31.6 | Very low | 38.9 | Very low | 70 Ų | 70 | 144.9 Ų | 144.9 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 140.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 208 | F | 37.3 | Very low | 38 | Very low | 202 Ų | 202 | 140.8 Ų | 140.8 | 89% | 0.886 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 148.5 | 167.6 | -69.5 | -92.5 | 0 | 0 | 0 | 111.2 | | |
| 209 | P | 46.6 | Very low | 37.7 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | | | trans | -104.4 | 133.4 | 142.9 | 33 | -27.4 | 0 | 0 | 0 | 110.9 | | |
| 210 | V | 32.7 | Very low | 37.2 | Very low | 145 Ų | 145 | 144 Ų | 144 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | | | trans | -92.2 | 121.6 | 169.2 | 168.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 211 | A | 33 | Very low | 36.7 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | | | trans | -165.1 | 140.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 212 | G | 30.2 | Very low | 36.2 | Very low | 84 Ų | 84 | 139.9 Ų | 139.9 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | | | trans | 83.9 | 108 | 143.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 213 | N | 34.6 | Very low | 36.1 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | | | trans | -105.7 | 120 | 169.6 | 175.2 | 8.4 | 0 | 0 | 0 | 110.1 | | |
| 214 | L | 31.9 | Very low | 35.9 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | trans | -149.3 | 101.5 | 163.1 | -78.2 | -176 | 0 | 0 | 0 | 112.3 | | |
| 215 | Q | 33.3 | Very low | 36.5 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | | | | 35.7 | 139.1 | 122.7 | -161.6 | 156.3 | -4.7 | 0 | 0 | 122.1 | | |
| 216 | T | 32.5 | Very low | 36.7 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | | | trans | 73.3 | 106.9 | 160.1 | 38.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 217 | Q | 34.2 | Very low | 36.8 | Very low | 166 Ų | 166 | 128.7 Ų | 128.7 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -62.3 | 157.5 | 136.6 | -76.4 | -72.4 | -30.2 | 0 | 0 | 109.5 | | |
| 218 | P | 41.7 | Very low | 37 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | | | cis | -159 | 171.2 | 49.4 | 44.8 | -22.7 | 0 | 0 | 0 | 120.9 | | |
| 219 | V | 31.5 | Very low | 37.6 | Very low | 107 Ų | 107 | 134 Ų | 134 | 65% | 0.648 | 79% | 0.794 | S | S | * | * | | | trans | 60.3 | 120 | 157.8 | -136.4 | 0 | 0 | 0 | 0 | 121 | | |
| 220 | K | 35.3 | Very low | 37.2 | Very low | 178 Ų | 178 | 131.4 Ų | 131.4 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | | | | 157.3 | 114.9 | 114.4 | -83.4 | 158.7 | -164.5 | 174.1 | 0 | 114.2 | | |
| 221 | N | 34.3 | Very low | 37.6 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | | | trans | 67 | 103.5 | 141.7 | -53.1 | -2.9 | 0 | 0 | 0 | 120.4 | | |
| 222 | G | 37.9 | Very low | 38.2 | Very low | 81 Ų | 81 | 134.3 Ų | 134.3 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | -150.8 | 113.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 223 | T | 39.3 | Very low | 38.6 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 97% | 0.969 | 78% | 0.784 | S | S | * | * | | | trans | -84.1 | 127.1 | -166.8 | -59.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 224 | G | 40 | Very low | 38.7 | Very low | 64 Ų | 64 | 139 Ų | 139 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | | | trans | -175.5 | 139.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 225 | P | 51.6 | Low | 39.5 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | | | trans | -91.9 | 151.1 | -144.2 | 33.7 | -37.4 | 0 | 0 | 0 | 118.4 | | |
| 226 | S | 39.6 | Very low | 39.3 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | | | trans | -53.1 | 165.8 | 158 | -152.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 227 | V | 44.7 | Very low | 39.5 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | cis | -155.7 | 126.9 | 42.5 | -178.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 228 | Y | 35.4 | Very low | 40.3 | Very low | 197 Ų | 197 | 132 Ų | 132 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | 17.6 | 161 | 134 | -133.9 | -95.2 | 0 | 0 | 0 | 124.4 | | |
| 229 | K | 49.2 | Very low | 40.3 | Very low | 187 Ų | 187 | 131.8 Ų | 131.8 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | 83.4 | 133.4 | 171.2 | -44 | -84.7 | 175.8 | 173.4 | 0 | 114 | | |
| 230 | G | 39.1 | Very low | 40.4 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | cis | 138.1 | 116.7 | -4.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 231 | L | 39.6 | Very low | 40.6 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | 74.6 | 118.2 | 160.8 | -52.9 | 175.1 | 0 | 0 | 0 | 120.5 | | |
| 232 | I | 45.6 | Very low | 41.1 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | | | trans | 40.3 | 118.9 | 134.9 | -44.9 | 169 | 0 | 0 | 0 | 119.5 | | |
| 233 | P | 39.2 | Very low | 40.9 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -91.6 | 124.2 | 153.4 | -3.1 | 23 | 0 | 0 | 0 | 112.3 | | |
| 234 | K | 37.5 | Very low | 40.8 | Very low | 198 Ų | 198 | 135.4 Ų | 135.4 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | trans | -131.9 | 167.5 | 156.3 | -111.4 | -160.6 | 169.3 | 174 | 0 | 108.5 | | |
| 235 | P | 47.7 | Very low | 40.3 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | -100.8 | 156.2 | -133.8 | 38.4 | -37.5 | 0 | 0 | 0 | 115.2 | | |
| 236 | A | 28.6 | Very low | 39.7 | Very low | 102 Ų | 102 | 147.6 Ų | 147.6 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | trans | -167.1 | 156.2 | 150.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 237 | V | 38.3 | Very low | 39.5 | Very low | 136 Ų | 136 | 148 Ų | 148 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | trans | -138.6 | 161.8 | 177.8 | 165.4 | 0 | 0 | 0 | 0 | 105.5 | | |
| 238 | P | 49.5 | Very low | 38.9 | Very low | 110 Ų | 110 | 150.1 Ų | 150.1 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | | | cis | -119.8 | -155.5 | -7.6 | 31.4 | -7.9 | 0 | 0 | 0 | 111.7 | | |
| 239 | P | 42.4 | Very low | 38.5 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 69% | 0.688 | 80% | 0.803 | S | S | * | * | | | | -150.7 | 170.1 | 86.8 | 40.3 | -21.8 | 0 | 0 | 0 | 118.2 | | |
| 240 | T | 32.9 | Very low | 37.9 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | | | trans | 65.2 | 113.3 | 154.7 | 46.7 | 0 | 0 | 0 | 0 | 121.9 | | |
| 241 | K | 40.8 | Very low | 37.8 | Very low | 205 Ų | 205 | 148.1 Ų | 148.1 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | | | | -162.9 | 159 | 91.9 | -98.1 | 172.6 | -174.1 | 178.5 | 0 | 111.6 | | |
| 242 | P | 44.7 | Very low | 37.5 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -106.9 | 149.9 | -165.7 | 38.3 | -31.1 | 0 | 0 | 0 | 114.2 | | |
| 243 | T | 33.7 | Very low | 37 | Very low | 148 Ų | 148 | 148.8 Ų | 148.8 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | | | trans | -145.7 | 139.9 | 144.6 | -65.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 244 | Q | 37.5 | Very low | 36.7 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -93.4 | 145.1 | -174.5 | 179.9 | -174.2 | -12.1 | 0 | 0 | 110.1 | | |
| 245 | W | 30.1 | Very low | 36.4 | Very low | 247 Ų | 247 | 143.4 Ų | 143.4 | 94% | 0.936 | 79% | 0.786 | S | S | * | * | | | trans | 176 | 161.7 | 133.6 | -99 | 41.2 | 0 | 0 | 0 | 111.4 | | |
| 246 | K | 38.5 | Very low | 35.6 | Very low | 207 Ų | 207 | 144.2 Ų | 144.2 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | | | trans | -147.8 | 117.6 | -156.8 | -176.3 | -166.9 | -172.8 | -173.7 | 0 | 112.3 | | |
| 247 | S | 34.1 | Very low | 35.6 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -163.2 | 117.7 | 165.2 | 36.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 248 | Q | 32 | Very low | 35.4 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | | 72.6 | 99.6 | 80.2 | -81.8 | -76 | -7.6 | 0 | 0 | 114.4 | | |
| 249 | T | 28 | Very low | 35.2 | Very low | 115 Ų | 115 | 148.7 Ų | 148.7 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | | | trans | 32.1 | 119 | 131.1 | -36.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 250 | K | 36.1 | Very low | 34.6 | Very low | 169 Ų | 169 | 151.9 Ų | 151.9 | 74% | 0.735 | 80% | 0.801 | S | S | * | * | | | | 178.9 | 120.6 | 120.8 | -99.5 | -175.1 | 176.8 | -92.1 | 0 | 114.6 | | |
| 251 | E | 37.7 | Very low | 34.3 | Very low | 126 Ų | 126 | 153.9 Ų | 153.9 | 59% | 0.589 | 80% | 0.802 | S | S | * | * | | | trans | 13.9 | 144 | 136.5 | 64.8 | -173.7 | 129.8 | 0 | 0 | 124.1 | | |
| 252 | N | 32.2 | Very low | 33.9 | Very low | 130 Ų | 130 | 148.1 Ų | 148.1 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | | | trans | 118.5 | 126.7 | 133.9 | -69 | -38.6 | 0 | 0 | 0 | 122.7 | | |
| 253 | K | 35.2 | Very low | 33.2 | Very low | 188 Ų | 188 | 147.3 Ų | 147.3 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | | | trans | 70.8 | 110 | 143 | -83.9 | -178.9 | 171.1 | 178.5 | 0 | 123.6 | | |
| 254 | V | 34.4 | Very low | 33.2 | Very low | 141 Ų | 141 | 150.7 Ų | 150.7 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | | | | 41.9 | 126.3 | 110.5 | -178.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 255 | G | 29.4 | Very low | 32.8 | Very low | 76 Ų | 76 | 145.8 Ų | 145.8 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | | | trans | -176.3 | 92.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 256 | T | 31.3 | Very low | 32.9 | Very low | 137 Ų | 137 | 141.7 Ų | 141.7 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | | | trans | -98.8 | 129.3 | 174.9 | -33.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 257 | S | 28.5 | Very low | 32.5 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | | | trans | 173.7 | 153.7 | 139.3 | 48.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 258 | F | 35.4 | Very low | 32.5 | Very low | 195 Ų | 195 | 135.8 Ų | 135.8 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | | | trans | -73.2 | 173.2 | 170.9 | -70.6 | -99.1 | 0 | 0 | 0 | 111.8 | | |
| 259 | P | 44 | Very low | 32.7 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 84% | 0.844 | 76% | 0.756 | S | S | * | * | | | | -138.9 | -178.2 | 105.7 | 36 | -21.7 | 0 | 0 | 0 | 115.6 | | |
| 260 | H | 29.3 | Very low | 33 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | | | trans | -113.2 | 179.1 | -170.2 | -174.9 | -98.5 | 0 | 0 | 0 | 110.9 | | |
| 261 | E | 27.6 | Very low | 33 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | trans | 73.2 | 157.9 | 172.4 | -58.1 | -161.5 | 140 | 0 | 0 | 119.3 | | |
| 262 | S | 32.4 | Very low | 32.9 | Very low | 84 Ų | 84 | 136.2 Ų | 136.2 | 59% | 0.587 | 76% | 0.759 | S | S | * | * | | | cis | -167 | 158.2 | -37.8 | 74.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 263 | T | 30.4 | Very low | 32.9 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 58% | 0.583 | 76% | 0.762 | S | S | * | * | | | trans | 74.6 | 152.3 | 145.2 | -36.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 264 | Y | 34.1 | Very low | 32.8 | Very low | 220 Ų | 220 | 134.4 Ų | 134.4 | 86% | 0.863 | 76% | 0.758 | S | S | * | * | | | trans | 71.9 | 128.8 | 171.4 | -35 | -77.9 | 0 | 0 | 0 | 116.8 | | |
| 265 | G | 28.8 | Very low | 32.6 | Very low | 65 Ų | 65 | 134.8 Ų | 134.8 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | | | cis | 166.7 | 173.9 | -4.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 266 | V | 31.1 | Very low | 32.6 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 98% | 0.982 | 76% | 0.759 | S | S | * | * | | | trans | 70.6 | 133.8 | 173 | -165.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 267 | G | 30.6 | Very low | 32.6 | Very low | 52 Ų | 52 | 138.4 Ų | 138.4 | 54% | 0.536 | 76% | 0.761 | S | S | . | * | | | cis | 164.6 | 140.3 | -9.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 268 | N | 33.7 | Very low | 32.6 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | | | trans | 59 | 162.5 | 158.4 | -51.9 | 1.3 | 0 | 0 | 0 | 117.5 | | |
| 269 | F | 36.3 | Very low | 32.3 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | | | cis | -143.3 | 136.4 | 15.7 | -61.2 | -100.9 | 0 | 0 | 0 | 112 | | |
| 270 | N | 34.7 | Very low | 31.6 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | | | | 6.8 | 154.3 | 123.3 | -76.6 | -11.6 | 0 | 0 | 0 | 118.6 | | |
| 271 | T | 35.9 | Very low | 32.2 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 56% | 0.558 | 74% | 0.744 | S | S | * | * | | | cis | -177.7 | 165.6 | 46.5 | -19.3 | 0 | 0 | 0 | 0 | 115.5 | | |
| 272 | F | 36.3 | Very low | 32.3 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 75% | 0.75 | 74% | 0.74 | S | S | * | * | | | trans | 70 | 147.4 | 152.7 | -59.8 | -46.2 | 0 | 0 | 0 | 118.6 | | |
| 273 | K | 32.4 | Very low | 32.2 | Very low | 173 Ų | 173 | 129.7 Ų | 129.7 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | | | cis | -157.1 | 127.8 | -6.4 | -107.6 | 161.3 | -174 | 179.6 | 0 | 104.4 | | |
| 274 | S | 31.6 | Very low | 32.1 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | | | | 48.3 | 107.8 | 68.1 | -164.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 275 | T | 31 | Very low | 31.9 | Very low | 149 Ų | 149 | 127 Ų | 127 | 91% | 0.914 | 75% | 0.749 | S | S | * | * | | | | -148.5 | 139.9 | 124.6 | 35.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 276 | A | 29.1 | Very low | 31.8 | Very low | 90 Ų | 90 | 130.3 Ų | 130.3 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | | | trans | -124.7 | 164.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 277 | K | 32.3 | Very low | 32.1 | Very low | 200 Ų | 200 | 131.7 Ų | 131.7 | 87% | 0.87 | 75% | 0.748 | S | S | * | * | | | trans | 150.9 | 128.1 | 149.2 | -84.9 | 170.3 | 179.9 | -171.9 | 0 | 108.3 | | |
| 278 | S | 27.8 | Very low | 32.1 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | | | cis | 111.1 | 145.2 | 18.7 | 69.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 279 | I | 29.4 | Very low | 31.7 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | | | trans | 107.1 | 127 | 158.5 | -57.3 | 152.3 | 0 | 0 | 0 | 116.1 | | |
| 280 | S | 28.8 | Very low | 31.3 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | | | trans | -78.9 | -154.9 | 177.7 | -36.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 281 | P | 42.3 | Very low | 31.1 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | | | cis | -137.2 | -160.9 | -13.9 | 41 | -20.5 | 0 | 0 | 0 | 113.6 | | |
| 282 | S | 29.4 | Very low | 31 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | trans | 34.5 | 141.9 | 140.2 | -110.9 | 0 | 0 | 0 | 0 | 122.9 | | |
| 283 | T | 29.7 | Very low | 30.7 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | | | cis | -171.7 | 160.6 | -5.7 | 3.2 | 0 | 0 | 0 | 0 | 112 | | |
| 284 | N | 28.1 | Very low | 30.7 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | 62.3 | 133.4 | 144.7 | -65.6 | -17.6 | 0 | 0 | 0 | 124.8 | | |
| 285 | S | 31.3 | Very low | 31.1 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | 76.8 | 131.1 | 135.7 | -160 | 0 | 0 | 0 | 0 | 121.7 | | |
| 286 | V | 26.1 | Very low | 31.4 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | | 175.3 | 150.1 | 105.6 | 157.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 287 | K | 38 | Very low | 32.3 | Very low | 190 Ų | 190 | 132 Ų | 132 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | | | trans | -77.6 | 148.1 | 177.3 | -58.3 | 168 | 177 | 174.1 | 0 | 112 | | |
| 288 | E | 30.7 | Very low | 32.4 | Very low | 181 Ų | 181 | 128.3 Ų | 128.3 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | | | | 173 | 133.7 | 109.3 | -99 | -161.9 | 110.1 | 0 | 0 | 116.1 | | |
| 289 | C | 24.4 | Very low | 32.7 | Very low | 88 Ų | 88 | 129.9 Ų | 129.9 | 60% | 0.595 | 75% | 0.748 | S | S | * | * | | | | 53 | 115.2 | 126.4 | -132.9 | 0 | 0 | 0 | 0 | 122.9 | | |
| 290 | N | 27.9 | Very low | 33.3 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | | | | 133.3 | 138.3 | 123 | -77.1 | -63.1 | 0 | 0 | 0 | 117.9 | | |
| 291 | R | 29.7 | Very low | 33.7 | Very low | 233 Ų | 233 | 132.9 Ų | 132.9 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | | | trans | 59.9 | 144.9 | 150.3 | -77.3 | 178 | 161.2 | -163.3 | -4.5 | 119.4 | | |
| 292 | S | 35.8 | Very low | 33.9 | Very low | 87 Ų | 87 | 134.1 Ų | 134.1 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | | | cis | -175 | 145.5 | -24.3 | -126.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 293 | N | 29.4 | Very low | 34.7 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | 69.7 | 119.7 | 147.5 | -48.7 | -7.3 | 0 | 0 | 0 | 120.6 | | |
| 294 | S | 32 | Very low | 35.6 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | | | | -143.5 | 144.9 | 114.3 | 62.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 295 | S | 41.1 | Very low | 36.9 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | | | trans | -62 | 137.5 | -173.2 | 37.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 296 | S | 36.9 | Very low | 38 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | | 72.2 | 161.7 | 69.5 | 97.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 297 | P | 46.7 | Very low | 39.2 | Very low | 102 Ų | 102 | 147.8 Ų | 147.8 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | | | cis | -134.1 | 151 | 7.7 | 38.6 | -17.7 | 0 | 0 | 0 | 115.9 | | |
| 298 | V | 35.7 | Very low | 40 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | | | | 72 | 140.4 | 100.8 | -174.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 299 | D | 32.4 | Very low | 41.3 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 65% | 0.647 | 77% | 0.77 | S | S | * | * | | | cis | -146.4 | 170.9 | 19.2 | -136.3 | -24.5 | 0 | 0 | 0 | 115.9 | | |
| 300 | K | 42.5 | Very low | 42.5 | Very low | 172 Ų | 172 | 149.3 Ų | 149.3 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -59.6 | 152 | -178.1 | -45.1 | 133.2 | -164.8 | 123.9 | 0 | 115.7 | | |
| 301 | L | 37.3 | Very low | 43.8 | Very low | 162 Ų | 162 | 148.4 Ų | 148.4 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | | | | -152 | 126.9 | 123.4 | -169 | 59.3 | 0 | 0 | 0 | 112.1 | | |
| 302 | N | 46.9 | Very low | 44.9 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | trans | -64.2 | 134.2 | 171.4 | -56.8 | -68.3 | 0 | 0 | 0 | 110.9 | | |
| 303 | Q | 46.3 | Very low | 45.9 | Very low | 192 Ų | 192 | 151.3 Ų | 151.3 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | | | trans | -159.5 | 122.6 | 135.5 | -74.3 | -145.6 | 79.9 | 0 | 0 | 110.1 | | |
| 304 | Q | 48.6 | Very low | 47.5 | Very low | 186 Ų | 186 | 153.6 Ų | 153.6 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | trans | -87.1 | 154.5 | 165.8 | -106 | -162.7 | -15.9 | 0 | 0 | 110.9 | | |
| 305 | P | 55.4 | Low | 49 | Very low | 105 Ų | 105 | 152.1 Ų | 152.1 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | | | trans | -84.7 | 131.3 | -165.3 | 32.9 | -34.7 | 0 | 0 | 0 | 113.1 | | |
| 306 | R | 54.1 | Low | 50.3 | Low | 245 Ų | 245 | 151.1 Ų | 151.1 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | | | trans | -101.9 | 75.7 | 166.1 | -72.8 | -172.9 | 175.5 | 135.7 | -1.2 | 110.8 | T308 | R306-T308 PolarHBondContact O-N 2.9Š|
| 307 | L | 51.3 | Low | 52.4 | Low | 157 Ų | 157 | 154.8 Ų | 154.8 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | -75 | 102.7 | 170.6 | -69.2 | 174.4 | 0 | 0 | 0 | 110.1 | K309 | L307-K309 PolarHBondContact O-N 2.67Š|
| 308 | T | 55 | Low | 53.8 | Low | 134 Ų | 134 | 157.8 Ų | 157.8 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | -61.8 | 114.2 | 165.7 | 45.8 | 0 | 0 | 0 | 0 | 109.6 | R306 L310 | R306-T308 PolarHBondContact O-N 2.9Å; T308-L310 PolarHBondContact O-N 2.86Å; T308-L310 VanDerWaalsContact O-N 3.08Å |
| 309 | K | 57.7 | Low | 55.8 | Low | 191 Ų | 191 | 153.7 Ų | 153.7 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | | | trans | -69.1 | 104.8 | 175.2 | -73.6 | -177.4 | 176.8 | 179.7 | 0 | 110.2 | L307 T311 | L307-K309 PolarHBondContact O-N 2.67Å; K309-T311 VanDerWaalsContact C-N 3.29Å; K309-T311 PolarHBondContact O-N 3.3Å |
| 310 | L | 50.2 | Low | 58.2 | Low | 167 Ų | 167 | 153.9 Ų | 153.9 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | | | trans | -67.8 | 90 | 158.9 | -83 | 164.2 | 0 | 0 | 0 | 108.8 | T308 R312 | T308-L310 PolarHBondContact O-N 2.86Å; T308-L310 VanDerWaalsContact O-N 3.08Å; L310-R312 PolarHBondContact O-N 2.99Å |
| 311 | T | 54 | Low | 60.3 | Low | 118 Ų | 118 | 151.9 Ų | 151.9 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | | | trans | -71.1 | 73.4 | 166.2 | 39.7 | 0 | 0 | 0 | 0 | 110 | K309 M313 | K309-T311 VanDerWaalsContact C-N 3.29Å; K309-T311 PolarHBondContact O-N 3.3Å; T311-M313 PolarHBondContact O-N 2.99Å |
| 312 | R | 52.9 | Low | 62.5 | Low | 208 Ų | 208 | 148.8 Ų | 148.8 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | | | trans | -67.1 | 86.1 | 154.5 | -178.6 | -175.5 | -78.4 | -109.8 | 2.8 | 106.6 | L310 R314 | L310-R312 PolarHBondContact O-N 2.99Å; R312-R314 HydrophobicContact CG-CG 4.07Å; R312-R314 PolarHBondContact O-N 3.41Å |
| 313 | M | 58.5 | Low | 64.2 | Low | 172 Ų | 172 | 149.3 Ų | 149.3 | 85% | 0.847 | 71% | 0.714 | S | S | * | * | | | trans | -65 | 89.9 | 166.5 | -66.7 | -150.2 | 73.6 | 0 | 0 | 107.8 | T311 S315 | T311-M313 PolarHBondContact O-N 2.99Å; M313-S315 PolarHBondContact O-N 3.02Å |
| 314 | R | 61.7 | Low | 66 | Low | 202 Ų | 202 | 143 Ų | 143 | 76% | 0.762 | 69% | 0.694 | S | S | * | * | | | trans | -70 | 112 | 157.2 | -59.1 | -166.3 | 83.1 | 147.3 | 4 | 104.8 | R312 D316 | R312-R314 HydrophobicContact CG-CG 4.07Å; R312-R314 PolarHBondContact O-N 3.41Å; R314-D316 PolarHBondContact O-N 3.02Å |
| 315 | S | 63.4 | Low | 67.4 | Low | 88 Ų | 88 | 138.3 Ų | 138.3 | 62% | 0.615 | 68% | 0.675 | S | S | * | * | | | trans | -57.4 | 98 | 155.4 | 34.4 | 0 | 0 | 0 | 0 | 106.6 | M313 | M313-S315 PolarHBondContact O-N 3.02Š|
| 316 | D | 68.9 | Low | 68.3 | Low | 82 Ų | 82 | 140.9 Ų | 140.9 | 44% | 0.439 | 68% | 0.675 | S | S | . | * | | | trans | -65.1 | 133.5 | 163.2 | 61.3 | -57.2 | 0 | 0 | 0 | 107.2 | R314 K318 S319 E320 | R314-D316 PolarHBondContact O-N 3.02Å; D316-K318 PolarHBondContact O-N 3.32Å; D316-K318 WeakPolarHBondContact OD2-CB 3.27Å; D316-S319 PolarHBondContact O-N 3.28Å; D316-S319 PolarHBondContact O-OG 3.46Å; D316-S319 VanDerWaalsContact O-OG 3.08Å; D316-S319 WeakPolarHBondContact OD1-CB 3.49Å; D316-S319 PolarHBondContact OD1-OG 3.41Å; D316-S319 PolarHBondContact OD2-N 3.06Å; D316-E320 PolarHBondContact O-N 3.14Å |
| 317 | K | 81.3 | Confident | 69.1 | Low | 181 Ų | 181 | 136.9 Ų | 136.9 | 79% | 0.787 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -54.6 | -19.9 | -179.5 | -62.4 | -179.8 | 174.8 | -173.6 | 0 | 112.9 | F321 | K317-F321 WeakPolarHBondContact O-CB 3.47Å; K317-F321 PolarHBondContact O-N 2.77Å; K317-F321 VanDerWaalsContact O-N 3.09Å |
| 318 | K | 75.3 | Confident | 69.7 | Low | 165 Ų | 165 | 135.9 Ų | 135.9 | 72% | 0.717 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.8 | -41.4 | 173.4 | -62.4 | -176.4 | 174.8 | -173.8 | 0 | 112.9 | D316 E320 F321 L322 | D316-K318 PolarHBondContact O-N 3.32Å; D316-K318 WeakPolarHBondContact OD2-CB 3.27Å; K318-E320 VanDerWaalsContact C-N 3.33Å; K318-F321 PolarHBondContact O-N 3.28Å; K318-L322 WeakPolarHBondContact O-CB 3.47Å; K318-L322 VanDerWaalsContact O-CG 3.24Å; K318-L322 WeakPolarHBondContact O-CG 3.37Å; K318-L322 PolarHBondContact O-N 2.85Å |
| 319 | S | 77.9 | Confident | 69.9 | Low | 37 Ų | 37 | 140.1 Ų | 140.1 | 26% | 0.259 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -70.4 | -29.1 | 174 | 67.6 | 0 | 0 | 0 | 0 | 113 | D316 K323 | D316-S319 PolarHBondContact O-N 3.28Å; D316-S319 PolarHBondContact O-OG 3.46Å; D316-S319 VanDerWaalsContact O-OG 3.08Å; D316-S319 WeakPolarHBondContact OD1-CB 3.49Å; D316-S319 PolarHBondContact OD1-OG 3.41Å; D316-S319 PolarHBondContact OD2-N 3.06Å; S319-K323 WeakPolarHBondContact O-CB 3.35Å; S319-K323 VanDerWaalsContact O-CG 3.27Å; S319-K323 WeakPolarHBondContact O-CG 3.47Å; S319-K323 PolarHBondContact O-N 3.36Å |
| 320 | E | 82.5 | Confident | 69.8 | Low | 124 Ų | 124 | 136.4 Ų | 136.4 | 58% | 0.579 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.2 | -47.7 | 172 | -165.6 | 168 | -122.2 | 0 | 0 | 111.4 | D316 K318 L322 K323 A324 | D316-E320 PolarHBondContact O-N 3.14Å; K318-E320 VanDerWaalsContact C-N 3.33Å; E320-L322 PolarHBondContact O-N 3.4Å; E320-K323 WeakPolarHBondContact O-CB 3.41Å; E320-K323 PolarHBondContact O-N 2.79Å; E320-K323 VanDerWaalsContact O-N 3.12Å; E320-A324 PolarHBondContact O-N 2.95Å |
| 321 | F | 87.7 | Confident | 69.8 | Low | 131 Ų | 131 | 134.4 Ų | 134.4 | 58% | 0.575 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -58.5 | -43.1 | 171.9 | 179.5 | -99.5 | 0 | 0 | 0 | 112.8 | K317 K318 K323 A324 L325 | K317-F321 WeakPolarHBondContact O-CB 3.47Å; K317-F321 PolarHBondContact O-N 2.77Å; K317-F321 VanDerWaalsContact O-N 3.09Å; K318-F321 PolarHBondContact O-N 3.28Å; F321-K323 VanDerWaalsContact C-N 3.28Å; F321-K323 PolarHBondContact O-N 3.21Å; F321-A324 PolarHBondContact O-N 3.17Å; F321-L325 HydrophobicContact CE1-CD2 4.29Å; F321-L325 HydrophobicContact CZ-CD1 4.4Å; F321-L325 WeakPolarHBondContact O-CB 3.31Å; F321-L325 PolarHBondContact O-N 2.96Å |
| 322 | L | 83.9 | Confident | 69.6 | Low | 97 Ų | 97 | 138 Ų | 138 | 51% | 0.508 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.4 | -23.5 | 176.6 | -73.3 | 170.5 | 0 | 0 | 0 | 113.5 | K318 E320 K326 | K318-L322 WeakPolarHBondContact O-CB 3.47Å; K318-L322 VanDerWaalsContact O-CG 3.24Å; K318-L322 WeakPolarHBondContact O-CG 3.37Å; K318-L322 PolarHBondContact O-N 2.85Å; E320-L322 PolarHBondContact O-N 3.4Å; L322-K326 WeakPolarHBondContact O-CB 3.13Å; L322-K326 VanDerWaalsContact O-CG 3.28Å; L322-K326 WeakPolarHBondContact O-CG 3.38Å; L322-K326 PolarHBondContact O-N 2.9Å |
| 323 | K | 82.3 | Confident | 69.1 | Low | 153 Ų | 153 | 136.7 Ų | 136.7 | 67% | 0.665 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -76.3 | -46.6 | 169.9 | -78.4 | 173.6 | 178 | -172.1 | 0 | 110.9 | S319 E320 F321 L325 K326 R327 | S319-K323 WeakPolarHBondContact O-CB 3.35Å; S319-K323 VanDerWaalsContact O-CG 3.27Å; S319-K323 WeakPolarHBondContact O-CG 3.47Å; S319-K323 PolarHBondContact O-N 3.36Å; E320-K323 WeakPolarHBondContact O-CB 3.41Å; E320-K323 PolarHBondContact O-N 2.79Å; E320-K323 VanDerWaalsContact O-N 3.12Å; F321-K323 VanDerWaalsContact C-N 3.28Å; F321-K323 PolarHBondContact O-N 3.21Å; K323-L325 PolarHBondContact O-N 3.44Å; K323-K326 PolarHBondContact O-N 2.74Å; K323-K326 VanDerWaalsContact O-N 3.15Å; K323-R327 PolarHBondContact O-N 2.97Å |
| 324 | A | 82.7 | Confident | 68.5 | Low | 59 Ų | 59 | 136.9 Ų | 136.9 | 49% | 0.488 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -57.2 | -48.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | E320 F321 K326 R327 D328 | E320-A324 PolarHBondContact O-N 2.95Å; F321-A324 PolarHBondContact O-N 3.17Å; A324-K326 PolarHBondContact O-N 3.18Å; A324-R327 PolarHBondContact O-N 2.82Å; A324-D328 WeakPolarHBondContact O-CB 3.19Å; A324-D328 PolarHBondContact O-N 3.21Å |
| 325 | L | 77.9 | Confident | 67.5 | Low | 89 Ų | 89 | 136.7 Ų | 136.7 | 47% | 0.466 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -65 | -23 | 178.7 | -161.6 | 75.8 | 0 | 0 | 0 | 113.8 | F321 K323 | F321-L325 HydrophobicContact CE1-CD2 4.29Å; F321-L325 HydrophobicContact CZ-CD1 4.4Å; F321-L325 WeakPolarHBondContact O-CB 3.31Å; F321-L325 PolarHBondContact O-N 2.96Å; K323-L325 PolarHBondContact O-N 3.44Å |
| 326 | K | 74.8 | Confident | 66.6 | Low | 158 Ų | 158 | 140 Ų | 140 | 69% | 0.687 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -83.5 | -30.9 | 172.4 | -78.6 | -177 | 176.2 | -164.3 | 0 | 112.7 | L322 K323 A324 | L322-K326 WeakPolarHBondContact O-CB 3.13Å; L322-K326 VanDerWaalsContact O-CG 3.28Å; L322-K326 WeakPolarHBondContact O-CG 3.38Å; L322-K326 PolarHBondContact O-N 2.9Å; K323-K326 PolarHBondContact O-N 2.74Å; K323-K326 VanDerWaalsContact O-N 3.15Å; A324-K326 PolarHBondContact O-N 3.18Å |
| 327 | R | 70.6 | Confident | 65 | Low | 161 Ų | 161 | 144.2 Ų | 144.2 | 61% | 0.608 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -74.6 | -42.7 | 176.5 | -165.5 | 170.9 | -173.6 | 103.8 | 16.8 | 111.5 | K323 A324 R329 V330 E331 | K323-R327 PolarHBondContact O-N 2.97Å; A324-R327 PolarHBondContact O-N 2.82Å; R327-R329 PolarHBondContact O-N 3.41Å; R327-V330 CarbonylContact O-C 3.19Å; R327-V330 PolarHBondContact O-N 3.42Å; R327-E331 HydrophobicContact CG-CG 3.88Å; R327-E331 IonicContact CZ-OE1 3.23Å; R327-E331 IonicContact NE-OE1 2.65Å; R327-E331 PolarHBondContact NE-OE1 3.24Å; R327-E331 IonicContact NE-OE2 3.75Å; R327-E331 IonicContact NH2-OE1 3.14Å; R327-E331 PolarHBondContact NH2-OE1 3.15Å; R327-E331 PolarHBondContact O-N 3.09Å |
| 328 | D | 64.8 | Low | 62.7 | Low | 137 Ų | 137 | 139.4 Ų | 139.4 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -18.9 | 172.8 | -172.4 | 56.6 | 0 | 0 | 0 | 113.7 | A324 | A324-D328 WeakPolarHBondContact O-CB 3.19Å; A324-D328 PolarHBondContact O-N 3.21Å |
| 329 | R | 58 | Low | 60.8 | Low | 223 Ų | 223 | 141.2 Ų | 141.2 | 84% | 0.842 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -2.6 | 175.6 | -131.9 | -177.7 | -169.9 | -157.4 | 1.1 | 114.4 | R327 | R327-R329 PolarHBondContact O-N 3.41Š|
| 330 | V | 57.2 | Low | 58.6 | Low | 113 Ų | 113 | 144.2 Ų | 144.2 | 69% | 0.685 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -149 | 52.1 | -173.9 | -164.2 | 0 | 0 | 0 | 0 | 110 | R327 | R327-V330 CarbonylContact O-C 3.19Å; R327-V330 PolarHBondContact O-N 3.42Å |
| 331 | E | 49.2 | Very low | 56 | Low | 125 Ų | 125 | 142.1 Ų | 142.1 | 58% | 0.584 | 72% | 0.719 | S | S | * | * | | | trans | -131.4 | 66.9 | 164.5 | -81 | -165.9 | 152.5 | 0 | 0 | 110.7 | R327 | R327-E331 HydrophobicContact CG-CG 3.88Å; R327-E331 IonicContact CZ-OE1 3.23Å; R327-E331 IonicContact NE-OE1 2.65Å; R327-E331 PolarHBondContact NE-OE1 3.24Å; R327-E331 IonicContact NE-OE2 3.75Å; R327-E331 IonicContact NH2-OE1 3.14Å; R327-E331 PolarHBondContact NH2-OE1 3.15Å; R327-E331 PolarHBondContact O-N 3.09Å |
| 332 | E | 50.3 | Low | 53.5 | Low | 193 Ų | 193 | 141.6 Ų | 141.6 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -133.1 | 47.7 | 146.8 | -162.8 | 178.9 | -155.5 | 0 | 0 | 108.9 | | |
| 333 | E | 41.5 | Very low | 51.3 | Low | 181 Ų | 181 | 145.5 Ų | 145.5 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -153.8 | 141.5 | 165.5 | -120.4 | 164.5 | -168.4 | 0 | 0 | 110.5 | | |
| 334 | H | 47.8 | Very low | 49.2 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 82% | 0.815 | 75% | 0.753 | S | S | * | * | | | trans | -67.6 | 148.1 | -171.9 | -60 | -102.1 | 0 | 0 | 0 | 113.1 | | |
| 335 | E | 38.8 | Very low | 47 | Very low | 197 Ų | 197 | 150.9 Ų | 150.9 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | | | trans | -153.6 | 97.2 | 132.4 | -72.7 | -156.9 | 160.4 | 0 | 0 | 109.9 | | |
| 336 | D | 44.8 | Very low | 45.2 | Very low | 159 Ų | 159 | 154.6 Ų | 154.6 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | | | trans | -81.4 | 118.8 | 151.3 | -87.9 | -47.3 | 0 | 0 | 0 | 106.8 | | |
| 337 | E | 35.7 | Very low | 43.4 | Very low | 169 Ų | 169 | 154.9 Ų | 154.9 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -157.9 | 126 | 157.3 | -162.8 | 48.4 | -95.8 | 0 | 0 | 114.6 | | |
| 338 | S | 33.3 | Very low | 41.9 | Very low | 81 Ų | 81 | 152.5 Ų | 152.5 | 57% | 0.566 | 81% | 0.805 | S | S | * | * | | | trans | 41.6 | 114.8 | 160.9 | 73.1 | 0 | 0 | 0 | 0 | 122.3 | | |
| 339 | H | 35.2 | Very low | 40.5 | Very low | 203 Ų | 203 | 155.1 Ų | 155.1 | 94% | 0.94 | 81% | 0.81 | S | S | * | * | | | | -135.8 | 126.2 | 110.4 | -100.8 | -18 | 0 | 0 | 0 | 110 | | |
| 340 | A | 31 | Very low | 39.6 | Very low | 100 Ų | 100 | 151.1 Ų | 151.1 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | | | trans | -97.3 | 148.5 | -158.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 341 | G | 29.3 | Very low | 39 | Very low | 79 Ų | 79 | 152.8 Ų | 152.8 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | | 88.1 | 99 | 125.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 342 | S | 34.7 | Very low | 38.3 | Very low | 120 Ų | 120 | 156 Ų | 156 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | | | trans | -153.8 | 111 | 132.4 | 61.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 343 | E | 37.3 | Very low | 37.8 | Very low | 180 Ų | 180 | 152.9 Ų | 152.9 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | | | trans | -62.6 | 143.3 | 163 | -57.7 | 166.7 | 123.5 | 0 | 0 | 109.5 | | |
| 344 | K | 39.4 | Very low | 37.5 | Very low | 179 Ų | 179 | 149.7 Ų | 149.7 | 78% | 0.778 | 81% | 0.812 | S | S | * | * | | | | 170.4 | 158.9 | 112.2 | -94.6 | 179.2 | -174.7 | -171.1 | 0 | 115.4 | | |
| 345 | D | 34.6 | Very low | 36.9 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 78% | 0.781 | 81% | 0.811 | S | S | * | * | | | trans | 72.3 | 93.1 | 159.4 | -58.4 | -10.3 | 0 | 0 | 0 | 117.8 | D347 | D345-D347 PolarHBondContact O-N 3.49Š|
| 346 | D | 42.1 | Very low | 36.6 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | -69.9 | 110 | 155.6 | -38.1 | -66.4 | 0 | 0 | 0 | 109 | | |
| 347 | D | 37 | Very low | 36.3 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | trans | -165.8 | 148.3 | 149.4 | -118.3 | -29 | 0 | 0 | 0 | 114.7 | D345 | D345-D347 PolarHBondContact O-N 3.49Š|
| 348 | S | 37.7 | Very low | 36.3 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | trans | 66.6 | 108.4 | 166.5 | -144.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 349 | F | 36.8 | Very low | 36.5 | Very low | 191 Ų | 191 | 148.7 Ų | 148.7 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | | | trans | -78.4 | 140 | 167.7 | -74.1 | -95.4 | 0 | 0 | 0 | 113 | | |
| 350 | N | 38.5 | Very low | 36.5 | Very low | 140 Ų | 140 | 146.5 Ų | 146.5 | 75% | 0.749 | 81% | 0.809 | S | S | * | * | | | trans | 76.7 | 141.7 | 148.6 | -81.8 | -62.1 | 0 | 0 | 0 | 121.5 | | |
| 351 | L | 44.3 | Very low | 37 | Very low | 147 Ų | 147 | 153.8 Ų | 153.8 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | | | trans | 59.6 | 95.6 | 166.3 | -86.5 | 72.2 | 0 | 0 | 0 | 117.1 | | |
| 352 | H | 35.1 | Very low | 37.7 | Very low | 192 Ų | 192 | 155.9 Ų | 155.9 | 89% | 0.889 | 81% | 0.807 | S | S | * | * | | | | -148.5 | 115.8 | 117.8 | -99.4 | -64.8 | 0 | 0 | 0 | 113 | S354 | H352-S354 PolarHBondContact O-N 3.17Š|
| 353 | N | 39.5 | Very low | 38.4 | Very low | 129 Ų | 129 | 157.8 Ų | 157.8 | 69% | 0.69 | 81% | 0.806 | S | S | * | * | | | trans | -46.4 | 122 | 162.1 | 163 | 35.7 | 0 | 0 | 0 | 112.1 | | |
| 354 | S | 34.6 | Very low | 38.6 | Very low | 114 Ų | 114 | 155.9 Ų | 155.9 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -156.9 | 116.6 | 161.6 | -79.4 | 0 | 0 | 0 | 0 | 110.7 | H352 | H352-S354 PolarHBondContact O-N 3.17Š|
| 355 | N | 34.8 | Very low | 38.7 | Very low | 151 Ų | 151 | 158.6 Ų | 158.6 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | | | trans | -85.6 | 121.9 | -176.5 | -55 | -64 | 0 | 0 | 0 | 111.7 | | |
| 356 | S | 34 | Very low | 39.1 | Very low | 105 Ų | 105 | 158 Ų | 158 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | trans | -167 | 101.8 | 144.4 | 61.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 357 | T | 37.2 | Very low | 38.9 | Very low | 133 Ų | 133 | 159.2 Ų | 159.2 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | | | trans | 45.5 | 94 | 134.5 | 60.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 358 | H | 35.4 | Very low | 39 | Very low | 195 Ų | 195 | 158.4 Ų | 158.4 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | | | | -152.9 | 45.9 | 126.2 | -155.4 | -72.2 | 0 | 0 | 0 | 112.7 | E360 | H358-E360 PolarHBondContact O-N 3.05Š|
| 359 | Q | 38.5 | Very low | 39.2 | Very low | 176 Ų | 176 | 162.3 Ų | 162.3 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | trans | -89.4 | 103.1 | 171.6 | -147.8 | 169.3 | 17 | 0 | 0 | 109.6 | R361 | Q359-R361 PolarHBondContact O-N 2.86Š|
| 360 | E | 35.3 | Very low | 39.3 | Very low | 158 Ų | 158 | 161 Ų | 161 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | | | trans | 22.5 | 91.9 | 135.3 | -155.6 | 156.8 | -130.4 | 0 | 0 | 115.2 | H358 D362 | H358-E360 PolarHBondContact O-N 3.05Å; E360-D362 PolarHBondContact O-N 3.05Å |
| 361 | R | 41.3 | Very low | 39.2 | Very low | 253 Ų | 253 | 163.2 Ų | 163.2 | 96% | 0.955 | 81% | 0.811 | S | S | * | * | | | trans | -77.5 | 70.8 | 168.2 | -79.6 | -171.1 | -65.9 | 178.9 | -3 | 110 | Q359 | Q359-R361 PolarHBondContact O-N 2.86Š|
| 362 | D | 44.8 | Very low | 39.1 | Very low | 123 Ų | 123 | 163.8 Ų | 163.8 | 66% | 0.658 | 81% | 0.813 | S | S | * | * | | | trans | -78.3 | 152.5 | 161.5 | -122.8 | -11.1 | 0 | 0 | 0 | 110.2 | E360 | E360-D362 PolarHBondContact O-N 3.05Š|
| 363 | I | 48.8 | Very low | 39.4 | Very low | 159 Ų | 159 | 159.6 Ų | 159.6 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 56.7 | 115.5 | 171.7 | -8.5 | -177.4 | 0 | 0 | 0 | 118 | R365 | I363-R365 PolarHBondContact O-N 2.98Å; I363-R365 VanDerWaalsContact O-N 3.15Å |
| 364 | N | 40.3 | Very low | 39.3 | Very low | 140 Ų | 140 | 162.3 Ų | 162.3 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | | | trans | -66.5 | 105.6 | 179.3 | -167.3 | -8.9 | 0 | 0 | 0 | 112 | N366 | N364-N366 PolarHBondContact O-N 2.91Å; N364-N366 PolarHBondContact OD1-ND2 3.38Å |
| 365 | R | 43 | Very low | 39.4 | Very low | 237 Ų | 237 | 165 Ų | 165 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | | | trans | -62 | 102.1 | 168.3 | -95.6 | 179.3 | 162.5 | -115.2 | 2 | 110.4 | I363 | I363-R365 PolarHBondContact O-N 2.98Å; I363-R365 VanDerWaalsContact O-N 3.15Å |
| 366 | N | 42.4 | Very low | 39.4 | Very low | 133 Ų | 133 | 164 Ų | 164 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | | | trans | -146.9 | 57.7 | 161 | -89.2 | -64.9 | 0 | 0 | 0 | 110 | N364 | N364-N366 PolarHBondContact O-N 2.91Å; N364-N366 PolarHBondContact OD1-ND2 3.38Å |
| 367 | F | 37.6 | Very low | 39.6 | Very low | 191 Ų | 191 | 161.8 Ų | 161.8 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | | | trans | -136.4 | 148.5 | 162.7 | -92 | -85.3 | 0 | 0 | 0 | 109.2 | | |
| 368 | D | 40.1 | Very low | 39.5 | Very low | 147 Ų | 147 | 163.3 Ų | 163.3 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | | | trans | 75.3 | 79.2 | 169.8 | -50.6 | -25.3 | 0 | 0 | 0 | 118.5 | | |
| 369 | E | 41.2 | Very low | 39.8 | Very low | 194 Ų | 194 | 158.4 Ų | 158.4 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | | | | -127.7 | 97.6 | 125.9 | -79.1 | -164.6 | -177.1 | 0 | 0 | 110 | | |
| 370 | N | 38.6 | Very low | 40.1 | Very low | 164 Ų | 164 | 155.5 Ų | 155.5 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | -141.7 | 88.8 | 154.3 | -98.1 | -35.2 | 0 | 0 | 0 | 106.5 | I372 | N370-I372 PolarHBondContact O-N 2.96Š|
| 371 | E | 37.5 | Very low | 40.4 | Very low | 186 Ų | 186 | 154.5 Ų | 154.5 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | | | trans | -70.3 | 119.5 | -177.5 | -176.1 | -178.6 | -147.9 | 0 | 0 | 111 | | |
| 372 | I | 41.6 | Very low | 40.8 | Very low | 159 Ų | 159 | 151 Ų | 151 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | | | trans | -135.7 | 123.6 | 159.4 | -52.8 | 179.3 | 0 | 0 | 0 | 107 | N370 | N370-I372 PolarHBondContact O-N 2.96Š|
| 373 | P | 41.5 | Very low | 41 | Very low | 104 Ų | 104 | 149.6 Ų | 149.6 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | | | trans | -89.5 | 142.4 | -170.3 | 33.3 | -34.7 | 0 | 0 | 0 | 114.1 | | |
| 374 | Q | 36.6 | Very low | 40.8 | Very low | 186 Ų | 186 | 151.1 Ų | 151.1 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | | | trans | 70 | 154.6 | 151.7 | -76.5 | -165.7 | -46.8 | 0 | 0 | 121.2 | | |
| 375 | E | 37.6 | Very low | 40.9 | Very low | 172 Ų | 172 | 152.9 Ų | 152.9 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | 67.7 | 134.9 | 176.4 | 103.3 | 166.5 | -129.9 | 0 | 0 | 115.8 | | |
| 376 | N | 34 | Very low | 41.1 | Very low | 129 Ų | 129 | 149.6 Ų | 149.6 | 69% | 0.69 | 80% | 0.804 | S | S | * | * | | | cis | -164.7 | -167 | -16.7 | 47.5 | 48 | 0 | 0 | 0 | 106.3 | | |
| 377 | G | 38.4 | Very low | 41.6 | Very low | 58 Ų | 58 | 151.2 Ų | 151.2 | 60% | 0.598 | 81% | 0.811 | S | S | * | * | | | trans | 111.7 | -122.1 | 141.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 378 | N | 35.2 | Very low | 41.6 | Very low | 165 Ų | 165 | 153 Ų | 153 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | | | trans | -150.2 | 153.8 | -144.8 | -28.9 | 72.2 | 0 | 0 | 0 | 113.1 | | |
| 379 | A | 40.9 | Very low | 41.6 | Very low | 93 Ų | 93 | 151.7 Ų | 151.7 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | | | trans | -87.3 | 155.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 380 | S | 44.5 | Very low | 41.3 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | | | trans | 61.6 | 79.9 | 148.4 | -61.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 381 | V | 41.7 | Very low | 41.4 | Very low | 138 Ų | 138 | 146.2 Ų | 146.2 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | | | trans | -144 | 82 | 140.8 | -168.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 382 | I | 50.4 | Low | 41.2 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | | | trans | -115.4 | 83.3 | 167.3 | -60.4 | 172.8 | 0 | 0 | 0 | 109.1 | | |
| 383 | S | 49.8 | Very low | 41.3 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -166.8 | 148.2 | 155.2 | -171.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 384 | Q | 43 | Very low | 41.4 | Very low | 190 Ų | 190 | 146.5 Ų | 146.5 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 77 | 31.5 | 178.5 | -49.2 | -172.4 | 58.7 | 0 | 0 | 118.8 | | |
| 385 | Q | 43.6 | Very low | 42.1 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | | | trans | -112.1 | 13.9 | 163.8 | -141.4 | 173.4 | 5 | 0 | 0 | 115 | I387 | Q385-I387 PolarHBondContact O-N 3.19Š|
| 386 | I | 46.7 | Very low | 43.2 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 86% | 0.862 | 79% | 0.789 | S | S | * | * | | | trans | -89.6 | 41.6 | 172.2 | -38 | 179.1 | 0 | 0 | 0 | 111.6 | | |
| 387 | I | 52.2 | Low | 45 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | | | trans | -143 | 75 | 157.9 | -47.2 | 178.2 | 0 | 0 | 0 | 108.7 | Q385 | Q385-I387 PolarHBondContact O-N 3.19Š|
| 388 | R | 37.7 | Very low | 47.1 | Very low | 229 Ų | 229 | 141.1 Ų | 141.1 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -140.2 | 113.9 | 153.8 | -142.9 | 176.9 | -166.9 | 173.1 | 4.4 | 109.6 | S390 | R388-S390 PolarHBondContact O-N 3.44Š|
| 389 | S | 41.4 | Very low | 49.3 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | trans | -49.8 | 126.1 | -177.8 | -31.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 390 | S | 34.7 | Very low | 51.3 | Low | 103 Ų | 103 | 137.9 Ų | 137.9 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | trans | -112.5 | 123 | 170.8 | -171 | 0 | 0 | 0 | 0 | 109.5 | R388 F392 | R388-S390 PolarHBondContact O-N 3.44Å; S390-F392 VanDerWaalsContact C-N 3.32Å; S390-F392 PolarHBondContact O-N 2.89Å |
| 391 | T | 41.4 | Very low | 53.3 | Low | 140 Ų | 140 | 136.4 Ų | 136.4 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -82.2 | 76.2 | -180 | -54.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 392 | F | 31.5 | Very low | 55.4 | Low | 176 Ų | 176 | 133.1 Ų | 133.1 | 77% | 0.772 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -159.5 | 149.4 | 164.7 | -130 | -103.9 | 0 | 0 | 0 | 107.2 | S390 Q394 | S390-F392 VanDerWaalsContact C-N 3.32Å; S390-F392 PolarHBondContact O-N 2.89Å; F392-Q394 PolarHBondContact O-N 2.91Å |
| 393 | P | 43.6 | Very low | 57.3 | Low | 110 Ų | 110 | 128.4 Ų | 128.4 | 71% | 0.714 | 70% | 0.704 | S | S | * | * | | | trans | -60 | 106.6 | 176.8 | 24.6 | -34.5 | 0 | 0 | 0 | 109.1 | T395 | P393-T395 PolarHBondContact O-N 3.19Š|
| 394 | Q | 43.7 | Very low | 59.3 | Low | 170 Ų | 170 | 126.6 Ų | 126.6 | 79% | 0.794 | 70% | 0.695 | S | S | * | * | | | trans | -63.9 | 107.8 | 167.5 | -161.1 | 165.2 | -3.1 | 0 | 0 | 104.4 | F392 D396 | F392-Q394 PolarHBondContact O-N 2.91Å; Q394-D396 PolarHBondContact O-N 3.25Å |
| 395 | T | 52.8 | Low | 61.5 | Low | 116 Ų | 116 | 122.2 Ų | 122.2 | 71% | 0.712 | 67% | 0.674 | S | S | * | * | | | trans | -58.3 | 111.1 | 172.9 | 48.9 | 0 | 0 | 0 | 0 | 105.9 | P393 V397 | P393-T395 PolarHBondContact O-N 3.19Å; T395-V397 WeakPolarHBondContact O-CG2 3.47Å; T395-V397 PolarHBondContact O-N 3.47Å |
| 396 | D | 60.5 | Low | 63.7 | Low | 134 Ų | 134 | 116.6 Ų | 116.6 | 72% | 0.717 | 65% | 0.648 | S | S | * | * | | | trans | -56.1 | 107.6 | -176.8 | -75.3 | -55 | 0 | 0 | 0 | 108.3 | Q394 L398 | Q394-D396 PolarHBondContact O-N 3.25Å; D396-L398 HydrophobicContact CB-CD2 3.88Å; D396-L398 HydrophobicContact CB-CG 4.06Å; D396-L398 PolarHBondContact O-N 2.87Å |
| 397 | V | 72 | Confident | 65.8 | Low | 137 Ų | 137 | 116.2 Ų | 116.2 | 83% | 0.83 | 64% | 0.636 | S | S | * | * | | | trans | -78.8 | 70.7 | 174 | -174.5 | 0 | 0 | 0 | 0 | 105.9 | T395 S399 | T395-V397 WeakPolarHBondContact O-CG2 3.47Å; T395-V397 PolarHBondContact O-N 3.47Å; V397-S399 PolarHBondContact O-N 2.87Å |
| 398 | L | 81.8 | Confident | 67.9 | Low | 44 Ų | 44 | 113 Ų | 113 | 23% | 0.23 | 62% | 0.62 | C | S | . | * | | | trans | -55.9 | 134.7 | 172.9 | -57.5 | 175.3 | 0 | 0 | 0 | 107.6 | D396 S400 L402 E403 H406 | D396-L398 HydrophobicContact CB-CD2 3.88Å; D396-L398 HydrophobicContact CB-CG 4.06Å; D396-L398 PolarHBondContact O-N 2.87Å; L398-S400 PolarHBondContact O-N 3.43Å; L398-L402 HydrophobicContact CB-CB 4.12Å; L398-L402 HydrophobicContact CB-CD2 4.2Å; L398-L402 HydrophobicContact CB-CG 4.13Å; L398-L402 HydrophobicContact CD1-CG 4.46Å; L398-L402 HydrophobicContact CD2-CD2 3.63Å; L398-L402 HydrophobicContact CD2-CG 4.01Å; L398-L402 HydrophobicContact CG-CD2 4.42Å; L398-L402 HydrophobicContact CG-CG 4.42Å; L398-E403 HydrophobicContact CB-CB 4.14Å; L398-H406 HydrophobicContact CD1-CB 4Å |
| 399 | S | 81.1 | Confident | 70.5 | Confident | 93 Ų | 93 | 106 Ų | 106 | 65% | 0.65 | 60% | 0.599 | S | S | * | * | | | trans | -51.2 | 141.9 | 168.5 | -62.7 | 0 | 0 | 0 | 0 | 109.5 | V397 S401 L402 E403 | V397-S399 PolarHBondContact O-N 2.87Å; S399-S401 CarbonylContact O-C 3.58Å; S399-S401 PolarHBondContact O-N 2.94Å; S399-L402 WeakPolarHBondContact O-CA 3.44Å; S399-L402 WeakPolarHBondContact O-CB 3.29Å; S399-L402 PolarHBondContact O-N 3.45Å; S399-E403 PolarHBondContact O-N 2.87Å |
| 400 | S | 82.9 | Confident | 72.8 | Confident | 98 Ų | 98 | 108.2 Ų | 108.2 | 69% | 0.685 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -51.3 | -31.7 | -169 | 175.3 | 0 | 0 | 0 | 0 | 115.8 | L398 A404 | L398-S400 PolarHBondContact O-N 3.43Å; S400-A404 PolarHBondContact O-N 3.35Å; S400-A404 VanDerWaalsContact O-N 3.14Å |
| 401 | S | 86.6 | Confident | 75.5 | Confident | 82 Ų | 82 | 111.2 Ų | 111.2 | 57% | 0.573 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.7 | -47.1 | 171.7 | -167 | 0 | 0 | 0 | 0 | 112.3 | S399 A404 E405 | S399-S401 CarbonylContact O-C 3.58Å; S399-S401 PolarHBondContact O-N 2.94Å; S401-A404 WeakPolarHBondContact O-CB 3.48Å; S401-A404 PolarHBondContact O-N 2.97Å; S401-A404 VanDerWaalsContact O-N 3.17Å; S401-E405 WeakPolarHBondContact O-CG 3.14Å; S401-E405 PolarHBondContact O-N 3.04Å; S401-E405 PolarHBondContact OG-OE1 3.41Å |
| 402 | L | 87.1 | Confident | 77.9 | Confident | 70 Ų | 70 | 110.8 Ų | 110.8 | 37% | 0.366 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.2 | -39.1 | 179.5 | -171.6 | 63.4 | 0 | 0 | 0 | 110.4 | L398 S399 A404 E405 H406 | L398-L402 HydrophobicContact CB-CB 4.12Å; L398-L402 HydrophobicContact CB-CD2 4.2Å; L398-L402 HydrophobicContact CB-CG 4.13Å; L398-L402 HydrophobicContact CD1-CG 4.46Å; L398-L402 HydrophobicContact CD2-CD2 3.63Å; L398-L402 HydrophobicContact CD2-CG 4.01Å; L398-L402 HydrophobicContact CG-CD2 4.42Å; L398-L402 HydrophobicContact CG-CG 4.42Å; S399-L402 WeakPolarHBondContact O-CA 3.44Å; S399-L402 WeakPolarHBondContact O-CB 3.29Å; S399-L402 PolarHBondContact O-N 3.45Å; L402-A404 VanDerWaalsContact C-N 3.31Å; L402-A404 PolarHBondContact O-N 2.82Å; L402-E405 PolarHBondContact O-N 3.23Å; L402-H406 PolarHBondContact O-CD2 3.04Å; L402-H406 PolarHBondContact O-N 2.84Å |
| 403 | E | 89.4 | Confident | 80.5 | Confident | 78 Ų | 78 | 105.4 Ų | 105.4 | 36% | 0.364 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.5 | -40.2 | 172.1 | -157.4 | -152.5 | 156.2 | 0 | 0 | 112.2 | L398 S399 H406 R407 | L398-E403 HydrophobicContact CB-CB 4.14Å; S399-E403 PolarHBondContact O-N 2.87Å; E403-H406 PolarHBondContact O-N 2.94Å; E403-R407 WeakPolarHBondContact O-CB 3.27Å; E403-R407 VanDerWaalsContact O-CG 3.27Å; E403-R407 WeakPolarHBondContact O-CG 3.34Å; E403-R407 PolarHBondContact O-N 2.73Å; E403-R407 IonicContact OE1-CZ 2.67Å; E403-R407 IonicContact OE1-NE 3.75Å; E403-R407 PolarHBondContact OE1-NE 3.47Å; E403-R407 IonicContact OE1-NH2 3.04Å; E403-R407 PolarHBondContact OE1-NH2 2.94Å; E403-R407 IonicContact OE2-NH2 2.87Å |
| 404 | A | 90.7 | Very high | 82.5 | Confident | 57 Ų | 57 | 108.8 Ų | 108.8 | 47% | 0.471 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.5 | -37.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S400 S401 L402 R407 L408 | S400-A404 PolarHBondContact O-N 3.35Å; S400-A404 VanDerWaalsContact O-N 3.14Å; S401-A404 WeakPolarHBondContact O-CB 3.48Å; S401-A404 PolarHBondContact O-N 2.97Å; S401-A404 VanDerWaalsContact O-N 3.17Å; L402-A404 VanDerWaalsContact C-N 3.31Å; L402-A404 PolarHBondContact O-N 2.82Å; A404-R407 PolarHBondContact O-N 3.29Å; A404-L408 WeakPolarHBondContact O-CB 3.32Å; A404-L408 PolarHBondContact O-N 3.18Å |
| 405 | E | 91.2 | Very high | 84 | Confident | 99 Ų | 99 | 108 Ų | 108 | 46% | 0.463 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.8 | -46.2 | 174.3 | -71.1 | 163.9 | -138.4 | 0 | 0 | 111.7 | S401 L402 R407 L408 L409 | S401-E405 WeakPolarHBondContact O-CG 3.14Å; S401-E405 PolarHBondContact O-N 3.04Å; S401-E405 PolarHBondContact OG-OE1 3.41Å; L402-E405 PolarHBondContact O-N 3.23Å; E405-R407 VanDerWaalsContact C-N 3.32Å; E405-R407 PolarHBondContact O-N 3.21Å; E405-L408 PolarHBondContact O-N 2.65Å; E405-L409 WeakPolarHBondContact O-CG 3.27Å; E405-L409 PolarHBondContact O-N 2.94Å |
| 406 | H | 89.1 | Confident | 84.8 | Confident | 59 Ų | 59 | 109.5 Ų | 109.5 | 27% | 0.273 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.7 | -37.4 | 174.9 | -79.2 | -113.5 | 0 | 0 | 0 | 112.1 | L398 L402 E403 K410 E416 | L398-H406 HydrophobicContact CD1-CB 4Å; L402-H406 PolarHBondContact O-CD2 3.04Å; L402-H406 PolarHBondContact O-N 2.84Å; E403-H406 PolarHBondContact O-N 2.94Å; H406-K410 VanDerWaalsContact O-CB 3.28Å; H406-K410 WeakPolarHBondContact O-CB 3.15Å; H406-K410 PolarHBondContact O-N 2.96Å; H406-E416 IonicContact CE1-OE1 2.64Å; H406-E416 PolarHBondContact CE1-OE1 3.17Å; H406-E416 IonicContact ND1-OE1 2.65Å; H406-E416 PolarHBondContact ND1-OE1 2.89Å |
| 407 | R | 91.4 | Very high | 84.7 | Confident | 160 Ų | 160 | 108.3 Ų | 108.3 | 60% | 0.604 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.7 | -44.4 | 172.5 | -73.8 | 173.1 | -178.4 | -153.8 | 7 | 111.8 | E403 A404 E405 K410 E411 | E403-R407 WeakPolarHBondContact O-CB 3.27Å; E403-R407 VanDerWaalsContact O-CG 3.27Å; E403-R407 WeakPolarHBondContact O-CG 3.34Å; E403-R407 PolarHBondContact O-N 2.73Å; E403-R407 IonicContact OE1-CZ 2.67Å; E403-R407 IonicContact OE1-NE 3.75Å; E403-R407 PolarHBondContact OE1-NE 3.47Å; E403-R407 IonicContact OE1-NH2 3.04Å; E403-R407 PolarHBondContact OE1-NH2 2.94Å; E403-R407 IonicContact OE2-NH2 2.87Å; A404-R407 PolarHBondContact O-N 3.29Å; E405-R407 VanDerWaalsContact C-N 3.32Å; E405-R407 PolarHBondContact O-N 3.21Å; R407-K410 PolarHBondContact O-N 2.9Å; R407-E411 WeakPolarHBondContact O-CB 3.37Å; R407-E411 PolarHBondContact O-N 2.87Å |
| 408 | L | 94.8 | Very high | 84.1 | Confident | 100 Ų | 100 | 105.8 Ų | 105.8 | 52% | 0.524 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.3 | -46.2 | 177.6 | 175.6 | 63.4 | 0 | 0 | 0 | 112 | A404 E405 K410 E411 M412 | A404-L408 WeakPolarHBondContact O-CB 3.32Å; A404-L408 PolarHBondContact O-N 3.18Å; E405-L408 PolarHBondContact O-N 2.65Å; L408-K410 VanDerWaalsContact C-N 3.31Å; L408-K410 PolarHBondContact O-N 3.44Å; L408-E411 PolarHBondContact O-N 3.02Å; L408-M412 HydrophobicContact CD1-CG 4.05Å; L408-M412 HydrophobicContact CG-CG 4.49Å; L408-M412 WeakPolarHBondContact O-CB 3.33Å; L408-M412 VanDerWaalsContact O-CG 3.26Å; L408-M412 WeakPolarHBondContact O-CG 3.28Å; L408-M412 PolarHBondContact O-N 3.14Å |
| 409 | L | 92.9 | Very high | 82.9 | Confident | 81 Ų | 81 | 113.7 Ų | 113.7 | 42% | 0.424 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -56.2 | -48.8 | 176.2 | -73.9 | 172.4 | 0 | 0 | 0 | 110.4 | E405 E411 M412 G413 W414 | E405-L409 WeakPolarHBondContact O-CG 3.27Å; E405-L409 PolarHBondContact O-N 2.94Å; L409-E411 PolarHBondContact O-N 3.39Å; L409-M412 CarbonylContact O-C 3.56Å; L409-M412 PolarHBondContact O-N 3.17Å; L409-G413 PolarHBondContact O-N 2.98Å; L409-W414 CarbonylContact C-O 3.56Å; L409-W414 HydrophobicContact CB-CB 4.06Å; L409-W414 HydrophobicContact CD2-CB 4.23Å; L409-W414 HydrophobicContact CD2-CG 4.16Å; L409-W414 WeakPolarHBondContact O-CA 3.26Å; L409-W414 WeakPolarHBondContact O-CB 3.49Å; L409-W414 PolarHBondContact O-N 3.22Å |
| 410 | K | 90.5 | Very high | 81.7 | Confident | 166 Ų | 166 | 115.6 Ų | 115.6 | 72% | 0.722 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.7 | -39.9 | 177.2 | -172.6 | 173.5 | -175.3 | 170.4 | 0 | 113.6 | H406 R407 L408 M412 G413 | H406-K410 VanDerWaalsContact O-CB 3.28Å; H406-K410 WeakPolarHBondContact O-CB 3.15Å; H406-K410 PolarHBondContact O-N 2.96Å; R407-K410 PolarHBondContact O-N 2.9Å; L408-K410 VanDerWaalsContact C-N 3.31Å; L408-K410 PolarHBondContact O-N 3.44Å; K410-M412 VanDerWaalsContact C-N 3.32Å; K410-G413 PolarHBondContact O-N 3.44Å; K410-G413 VanDerWaalsContact O-N 3.15Å |
| 411 | E | 91.1 | Very high | 80.5 | Confident | 165 Ų | 165 | 114 Ų | 114 | 77% | 0.771 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.4 | -37.9 | 174.7 | -177.3 | 173.5 | -177.6 | 0 | 0 | 111.7 | R407 L408 L409 G413 | R407-E411 WeakPolarHBondContact O-CB 3.37Å; R407-E411 PolarHBondContact O-N 2.87Å; L408-E411 PolarHBondContact O-N 3.02Å; L409-E411 PolarHBondContact O-N 3.39Å; E411-G413 PolarHBondContact O-N 3.17Å |
| 412 | M | 91.3 | Very high | 79 | Confident | 131 Ų | 131 | 118.4 Ų | 118.4 | 65% | 0.645 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 3.8 | 174.2 | -66.7 | -61.6 | -63 | 0 | 0 | 113.7 | L408 L409 K410 W414 | L408-M412 HydrophobicContact CD1-CG 4.05Å; L408-M412 HydrophobicContact CG-CG 4.49Å; L408-M412 WeakPolarHBondContact O-CB 3.33Å; L408-M412 VanDerWaalsContact O-CG 3.26Å; L408-M412 WeakPolarHBondContact O-CG 3.28Å; L408-M412 PolarHBondContact O-N 3.14Å; L409-M412 CarbonylContact O-C 3.56Å; L409-M412 PolarHBondContact O-N 3.17Å; K410-M412 VanDerWaalsContact C-N 3.32Å; M412-W414 VanDerWaalsContact C-N 3.32Å; M412-W414 PolarHBondContact O-N 3.46Å |
| 413 | G | 86.4 | Confident | 77.8 | Confident | 63 Ų | 63 | 120.5 Ų | 120.5 | 65% | 0.649 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.8 | 8.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | L409 K410 E411 Q415 | L409-G413 PolarHBondContact O-N 2.98Å; K410-G413 PolarHBondContact O-N 3.44Å; K410-G413 VanDerWaalsContact O-N 3.15Å; E411-G413 PolarHBondContact O-N 3.17Å; G413-Q415 PolarHBondContact O-N 3.28Å; G413-Q415 VanDerWaalsContact O-N 3.09Å |
| 414 | W | 86 | Confident | 76.2 | Confident | 182 Ų | 182 | 122 Ų | 122 | 69% | 0.689 | 62% | 0.624 | S | S | * | * | | | trans | -74.9 | 97.2 | 167.2 | -63.9 | 92 | 0 | 0 | 0 | 108.4 | L409 M412 | L409-W414 CarbonylContact C-O 3.56Å; L409-W414 HydrophobicContact CB-CB 4.06Å; L409-W414 HydrophobicContact CD2-CB 4.23Å; L409-W414 HydrophobicContact CD2-CG 4.16Å; L409-W414 WeakPolarHBondContact O-CA 3.26Å; L409-W414 WeakPolarHBondContact O-CB 3.49Å; L409-W414 PolarHBondContact O-N 3.22Å; M412-W414 VanDerWaalsContact C-N 3.32Å; M412-W414 PolarHBondContact O-N 3.46Å |
| 415 | Q | 74.6 | Confident | 75.1 | Confident | 153 Ų | 153 | 122.6 Ų | 122.6 | 72% | 0.715 | 63% | 0.629 | S | S | * | * | | | trans | -83 | 135 | 168.5 | -169.4 | 154.6 | -15.1 | 0 | 0 | 108 | G413 D417 | G413-Q415 PolarHBondContact O-N 3.28Å; G413-Q415 VanDerWaalsContact O-N 3.09Å; Q415-D417 PolarHBondContact O-N 3.2Å |
| 416 | E | 68.7 | Low | 74.3 | Confident | 147 Ų | 147 | 123.5 Ų | 123.5 | 69% | 0.687 | 64% | 0.643 | S | S | * | * | | | trans | -71 | 90.9 | 162.8 | -74.9 | 173 | 174.3 | 0 | 0 | 106.7 | H406 S418 | H406-E416 IonicContact CE1-OE1 2.64Å; H406-E416 PolarHBondContact CE1-OE1 3.17Å; H406-E416 IonicContact ND1-OE1 2.65Å; H406-E416 PolarHBondContact ND1-OE1 2.89Å; E416-S418 PolarHBondContact O-N 2.94Å; E416-S418 VanDerWaalsContact O-N 3.17Å |
| 417 | D | 58.6 | Low | 73.4 | Confident | 110 Ų | 110 | 126.9 Ų | 126.9 | 59% | 0.588 | 66% | 0.663 | S | S | * | * | | | trans | -60.5 | 118.4 | 172.5 | -62.7 | -40.2 | 0 | 0 | 0 | 107.4 | Q415 E419 | Q415-D417 PolarHBondContact O-N 3.2Å; D417-E419 PolarHBondContact O-N 2.79Å |
| 418 | S | 59.1 | Low | 72.9 | Confident | 84 Ų | 84 | 122.7 Ų | 122.7 | 59% | 0.587 | 66% | 0.655 | S | S | * | * | | | trans | -55.6 | 139 | -179.6 | 55.5 | 0 | 0 | 0 | 0 | 109.7 | E416 N420 D421 | E416-S418 PolarHBondContact O-N 2.94Å; E416-S418 VanDerWaalsContact O-N 3.17Å; S418-N420 CarbonylContact O-C 3.48Å; S418-N420 PolarHBondContact O-N 2.93Å; S418-D421 PolarHBondContact O-N 3.26Å |
| 419 | E | 57.5 | Low | 72.4 | Confident | 210 Ų | 210 | 124.1 Ų | 124.1 | 98% | 0.981 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | -11.5 | -178.4 | -167.8 | 174.6 | -165.7 | 0 | 0 | 114.8 | D417 D421 | D417-E419 PolarHBondContact O-N 2.79Å; E419-D421 VanDerWaalsContact C-N 3.29Å; E419-D421 PolarHBondContact O-N 3.32Å |
| 420 | N | 55.6 | Low | 72 | Confident | 132 Ų | 132 | 125.3 Ų | 125.3 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 27.1 | 171.9 | -158.4 | 93 | 0 | 0 | 0 | 113.9 | S418 E422 | S418-N420 CarbonylContact O-C 3.48Å; S418-N420 PolarHBondContact O-N 2.93Å; N420-E422 PolarHBondContact O-N 3.2Å |
| 421 | D | 57.4 | Low | 72.1 | Confident | 64 Ų | 64 | 122 Ų | 122 | 34% | 0.342 | 65% | 0.653 | S | S | . | * | | | trans | -80.8 | 84.5 | -178.1 | -152 | 22 | 0 | 0 | 0 | 111.6 | S418 E419 T423 C424 | S418-D421 PolarHBondContact O-N 3.26Å; E419-D421 VanDerWaalsContact C-N 3.29Å; E419-D421 PolarHBondContact O-N 3.32Å; D421-T423 VanDerWaalsContact CG-CB 3.48Å; D421-T423 PolarHBondContact O-N 3.17Å; D421-T423 WeakPolarHBondContact OD1-CB 3.4Å; D421-T423 PolarHBondContact OD1-OG1 3.21Å; D421-T423 WeakPolarHBondContact OD2-CB 3.48Å; D421-C424 PolarHBondContact O-N 2.97Å |
| 422 | E | 56.1 | Low | 72 | Confident | 175 Ų | 175 | 118.8 Ų | 118.8 | 82% | 0.818 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -3 | 167.7 | -69.4 | -164.5 | -160.8 | 0 | 0 | 112.8 | N420 C424 A425 | N420-E422 PolarHBondContact O-N 3.2Å; E422-C424 PolarHBondContact O-N 3.15Å; E422-A425 PolarHBondContact O-N 2.93Å |
| 423 | T | 61.3 | Low | 72 | Confident | 114 Ų | 114 | 117.8 Ų | 117.8 | 70% | 0.699 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -20.7 | 166.1 | -45.7 | 0 | 0 | 0 | 0 | 112.6 | D421 A425 | D421-T423 VanDerWaalsContact CG-CB 3.48Å; D421-T423 PolarHBondContact O-N 3.17Å; D421-T423 WeakPolarHBondContact OD1-CB 3.4Å; D421-T423 PolarHBondContact OD1-OG1 3.21Å; D421-T423 WeakPolarHBondContact OD2-CB 3.48Å; T423-A425 PolarHBondContact O-N 3.38Å |
| 424 | C | 56.7 | Low | 72.3 | Confident | 109 Ų | 109 | 120.6 Ų | 120.6 | 74% | 0.736 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -71.6 | 64.7 | 158.5 | -79.8 | 0 | 0 | 0 | 0 | 110.8 | D421 E422 | D421-C424 PolarHBondContact O-N 2.97Å; E422-C424 PolarHBondContact O-N 3.15Å |
| 425 | A | 67.8 | Low | 72.5 | Confident | 70 Ų | 70 | 119.4 Ų | 119.4 | 58% | 0.579 | 62% | 0.624 | S | S | * | * | | | trans | -54 | 130.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109 | E422 T423 L427 | E422-A425 PolarHBondContact O-N 2.93Å; T423-A425 PolarHBondContact O-N 3.38Å; A425-L427 PolarHBondContact O-N 2.93Å |
| 426 | P | 72.4 | Confident | 73.3 | Confident | 118 Ų | 118 | 117.7 Ų | 117.7 | 77% | 0.766 | 62% | 0.616 | S | S | * | * | | | trans | -53.9 | 132.2 | 174.1 | -24.9 | 33.6 | 0 | 0 | 0 | 109.6 | T428 | P426-T428 PolarHBondContact O-N 3.05Š|
| 427 | L | 70.4 | Confident | 74.4 | Confident | 131 Ų | 131 | 114.9 Ų | 114.9 | 69% | 0.686 | 61% | 0.609 | S | S | * | * | | | trans | -40.9 | 118.3 | 178.5 | -79.1 | 166.6 | 0 | 0 | 0 | 109.8 | A425 E431 | A425-L427 PolarHBondContact O-N 2.93Å; L427-E431 HydrophobicContact CD2-CB 4.27Å |
| 428 | T | 81.5 | Confident | 75.9 | Confident | 71 Ų | 71 | 113.1 Ų | 113.1 | 44% | 0.436 | 60% | 0.599 | S | S | . | * | | | trans | -63.1 | 154.3 | -174.8 | 61.1 | 0 | 0 | 0 | 0 | 109.9 | P426 D430 E431 M432 | P426-T428 PolarHBondContact O-N 3.05Å; T428-D430 PolarHBondContact O-N 3.47Å; T428-D430 VanDerWaalsContact O-N 3.1Å; T428-E431 WeakPolarHBondContact CB-OE2 3.35Å; T428-E431 WeakPolarHBondContact CG2-OE2 3.4Å; T428-E431 PolarHBondContact N-OE2 3.15Å; T428-E431 PolarHBondContact O-N 2.92Å; T428-E431 VanDerWaalsContact O-N 3.07Å; T428-E431 VanDerWaalsContact OG1-CD 3.22Å; T428-E431 VanDerWaalsContact OG1-CG 3.27Å; T428-E431 WeakPolarHBondContact OG1-CG 3.49Å; T428-E431 PolarHBondContact OG1-N 2.76Å; T428-E431 PolarHBondContact OG1-OE2 3.12Å; T428-M432 PolarHBondContact O-N 3.25Å |
| 429 | E | 84.1 | Confident | 77.2 | Confident | 131 Ų | 131 | 111.2 Ų | 111.2 | 61% | 0.612 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -56.7 | -31.3 | -178.9 | -162.4 | -171.4 | 150.1 | 0 | 0 | 111.8 | R433 | E429-R433 WeakPolarHBondContact O-CB 3.47Å; E429-R433 WeakPolarHBondContact O-CG 3.26Å; E429-R433 PolarHBondContact O-N 3.27Å; E429-R433 IonicContact OE1-CZ 3.42Å; E429-R433 IonicContact OE1-NH1 3.33Å; E429-R433 PolarHBondContact OE1-NH1 3.48Å; E429-R433 IonicContact OE1-NH2 2.7Å |
| 430 | D | 85.5 | Confident | 78.7 | Confident | 106 Ų | 106 | 105.7 Ų | 105.7 | 57% | 0.567 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.7 | -45.3 | 174.6 | -72.1 | -41.5 | 0 | 0 | 0 | 113.3 | T428 M432 R433 E434 | T428-D430 PolarHBondContact O-N 3.47Å; T428-D430 VanDerWaalsContact O-N 3.1Å; D430-M432 VanDerWaalsContact C-N 3.29Å; D430-M432 PolarHBondContact O-N 3.19Å; D430-R433 WeakPolarHBondContact O-CB 3.39Å; D430-R433 PolarHBondContact O-N 3.29Å; D430-R433 IonicContact OD1-CZ 3.09Å; D430-R433 IonicContact OD1-NE 3.85Å; D430-R433 PolarHBondContact OD1-NE 3.34Å; D430-R433 IonicContact OD1-NH2 2.7Å; D430-R433 PolarHBondContact OD1-NH2 3.04Å; D430-E434 WeakPolarHBondContact O-CB 3.43Å; D430-E434 PolarHBondContact O-N 3.47Å |
| 431 | E | 91.3 | Very high | 80.2 | Confident | 96 Ų | 96 | 104.4 Ų | 104.4 | 45% | 0.449 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 175.1 | -70.6 | 163.1 | 135.8 | 0 | 0 | 111.4 | L427 T428 E434 F435 | L427-E431 HydrophobicContact CD2-CB 4.27Å; T428-E431 WeakPolarHBondContact CB-OE2 3.35Å; T428-E431 WeakPolarHBondContact CG2-OE2 3.4Å; T428-E431 PolarHBondContact N-OE2 3.15Å; T428-E431 PolarHBondContact O-N 2.92Å; T428-E431 VanDerWaalsContact O-N 3.07Å; T428-E431 VanDerWaalsContact OG1-CD 3.22Å; T428-E431 VanDerWaalsContact OG1-CG 3.27Å; T428-E431 WeakPolarHBondContact OG1-CG 3.49Å; T428-E431 PolarHBondContact OG1-N 2.76Å; T428-E431 PolarHBondContact OG1-OE2 3.12Å; E431-E434 PolarHBondContact O-N 3Å; E431-F435 WeakPolarHBondContact O-CB 3.5Å; E431-F435 PolarHBondContact O-N 3.09Å |
| 432 | M | 89.4 | Confident | 81.6 | Confident | 98 Ų | 98 | 107 Ų | 107 | 48% | 0.483 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.2 | -40.2 | 176.1 | -159 | -163.4 | -45.7 | 0 | 0 | 111.8 | T428 D430 Q436 | T428-M432 PolarHBondContact O-N 3.25Å; D430-M432 VanDerWaalsContact C-N 3.29Å; D430-M432 PolarHBondContact O-N 3.19Å; M432-Q436 VanDerWaalsContact O-CG 3.32Å; M432-Q436 WeakPolarHBondContact O-CG 3.27Å; M432-Q436 PolarHBondContact O-N 3.28Å; M432-Q436 VanDerWaalsContact O-N 3.14Å |
| 433 | R | 91 | Very high | 82.7 | Confident | 110 Ų | 110 | 105.3 Ų | 105.3 | 42% | 0.415 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.2 | -44.4 | 172.1 | -81.9 | -170.7 | -78.2 | -106.1 | 0.1 | 112 | E429 D430 F435 Q436 V437 | E429-R433 WeakPolarHBondContact O-CB 3.47Å; E429-R433 WeakPolarHBondContact O-CG 3.26Å; E429-R433 PolarHBondContact O-N 3.27Å; E429-R433 IonicContact OE1-CZ 3.42Å; E429-R433 IonicContact OE1-NH1 3.33Å; E429-R433 PolarHBondContact OE1-NH1 3.48Å; E429-R433 IonicContact OE1-NH2 2.7Å; D430-R433 WeakPolarHBondContact O-CB 3.39Å; D430-R433 PolarHBondContact O-N 3.29Å; D430-R433 IonicContact OD1-CZ 3.09Å; D430-R433 IonicContact OD1-NE 3.85Å; D430-R433 PolarHBondContact OD1-NE 3.34Å; D430-R433 IonicContact OD1-NH2 2.7Å; D430-R433 PolarHBondContact OD1-NH2 3.04Å; R433-F435 VanDerWaalsContact C-N 3.33Å; R433-F435 PolarHBondContact O-N 3.46Å; R433-Q436 WeakPolarHBondContact O-CB 3.36Å; R433-Q436 PolarHBondContact O-N 2.91Å; R433-V437 WeakPolarHBondContact O-CG2 3.33Å; R433-V437 PolarHBondContact O-N 3.08Å |
| 434 | E | 92.5 | Very high | 83.6 | Confident | 122 Ų | 122 | 104.9 Ų | 104.9 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.4 | -44.2 | 178.2 | -177.9 | 170.9 | -175.9 | 0 | 0 | 110.7 | D430 E431 Q436 V437 I438 | D430-E434 WeakPolarHBondContact O-CB 3.43Å; D430-E434 PolarHBondContact O-N 3.47Å; E431-E434 PolarHBondContact O-N 3Å; E434-Q436 VanDerWaalsContact C-N 3.33Å; E434-Q436 PolarHBondContact O-N 2.88Å; E434-V437 PolarHBondContact O-N 3.31Å; E434-I438 HydrophobicContact CG-CD1 3.66Å; E434-I438 HydrophobicContact CG-CG1 4.23Å; E434-I438 WeakPolarHBondContact O-CB 3.37Å; E434-I438 VanDerWaalsContact O-CG1 3.31Å; E434-I438 WeakPolarHBondContact O-CG1 3.32Å; E434-I438 PolarHBondContact O-N 3.4Å |
| 435 | F | 91.5 | Very high | 84.3 | Confident | 157 Ų | 157 | 103.4 Ų | 103.4 | 69% | 0.689 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.4 | -37.2 | 176.7 | -150.4 | -86 | 0 | 0 | 0 | 112.7 | E431 R433 S439 | E431-F435 WeakPolarHBondContact O-CB 3.5Å; E431-F435 PolarHBondContact O-N 3.09Å; R433-F435 VanDerWaalsContact C-N 3.33Å; R433-F435 PolarHBondContact O-N 3.46Å; F435-S439 VanDerWaalsContact O-CB 3.29Å; F435-S439 WeakPolarHBondContact O-CB 3.47Å; F435-S439 PolarHBondContact O-N 3.08Å; F435-S439 PolarHBondContact O-OG 3.28Å |
| 436 | Q | 91.3 | Very high | 84 | Confident | 117 Ų | 117 | 102.1 Ų | 102.1 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 172.1 | -71.7 | 172.8 | 29.8 | 0 | 0 | 111.8 | M432 R433 E434 S439 E440 | M432-Q436 VanDerWaalsContact O-CG 3.32Å; M432-Q436 WeakPolarHBondContact O-CG 3.27Å; M432-Q436 PolarHBondContact O-N 3.28Å; M432-Q436 VanDerWaalsContact O-N 3.14Å; R433-Q436 WeakPolarHBondContact O-CB 3.36Å; R433-Q436 PolarHBondContact O-N 2.91Å; E434-Q436 VanDerWaalsContact C-N 3.33Å; E434-Q436 PolarHBondContact O-N 2.88Å; Q436-S439 WeakPolarHBondContact CA-OG 3.42Å; Q436-S439 PolarHBondContact O-N 2.84Å; Q436-S439 PolarHBondContact O-OG 2.88Å; Q436-S439 VanDerWaalsContact O-OG 3.06Å; Q436-E440 VanDerWaalsContact O-CB 3.26Å; Q436-E440 WeakPolarHBondContact O-CB 3.47Å; Q436-E440 PolarHBondContact O-N 2.88Å |
| 437 | V | 91.6 | Very high | 83.1 | Confident | 87 Ų | 87 | 103.7 Ų | 103.7 | 53% | 0.527 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -44 | 177.8 | 171 | 0 | 0 | 0 | 0 | 111.4 | R433 E434 E440 Q441 | R433-V437 WeakPolarHBondContact O-CG2 3.33Å; R433-V437 PolarHBondContact O-N 3.08Å; E434-V437 PolarHBondContact O-N 3.31Å; V437-E440 PolarHBondContact O-N 2.91Å; V437-Q441 WeakPolarHBondContact O-CB 3.4Å; V437-Q441 PolarHBondContact O-N 3.08Å |
| 438 | I | 89.6 | Confident | 82.5 | Confident | 73 Ų | 73 | 107.3 Ų | 107.3 | 37% | 0.374 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 178.1 | -69.3 | 172.5 | 0 | 0 | 0 | 110.5 | E434 Q441 L442 | E434-I438 HydrophobicContact CG-CD1 3.66Å; E434-I438 HydrophobicContact CG-CG1 4.23Å; E434-I438 WeakPolarHBondContact O-CB 3.37Å; E434-I438 VanDerWaalsContact O-CG1 3.31Å; E434-I438 WeakPolarHBondContact O-CG1 3.32Å; E434-I438 PolarHBondContact O-N 3.4Å; I438-Q441 PolarHBondContact O-N 2.99Å; I438-L442 HydrophobicContact CG2-CD1 3.93Å; I438-L442 HydrophobicContact CG2-CG 4.37Å; I438-L442 WeakPolarHBondContact O-CB 3.11Å; I438-L442 VanDerWaalsContact O-CG 3.27Å; I438-L442 WeakPolarHBondContact O-CG 3.27Å; I438-L442 PolarHBondContact O-N 3.49Å |
| 439 | S | 86.4 | Confident | 81.4 | Confident | 44 Ų | 44 | 112.6 Ų | 112.6 | 31% | 0.308 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 178.3 | 58.1 | 0 | 0 | 0 | 0 | 112.4 | F435 Q436 L442 Q443 | F435-S439 VanDerWaalsContact O-CB 3.29Å; F435-S439 WeakPolarHBondContact O-CB 3.47Å; F435-S439 PolarHBondContact O-N 3.08Å; F435-S439 PolarHBondContact O-OG 3.28Å; Q436-S439 WeakPolarHBondContact CA-OG 3.42Å; Q436-S439 PolarHBondContact O-N 2.84Å; Q436-S439 PolarHBondContact O-OG 2.88Å; Q436-S439 VanDerWaalsContact O-OG 3.06Å; S439-L442 PolarHBondContact O-N 3.42Å; S439-Q443 WeakPolarHBondContact O-CG 3.42Å; S439-Q443 PolarHBondContact O-N 2.88Å |
| 440 | E | 89.1 | Confident | 79.8 | Confident | 95 Ų | 95 | 113.1 Ų | 113.1 | 44% | 0.444 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.3 | -40.2 | 172.9 | -160.7 | -154 | -162.6 | 0 | 0 | 111.6 | Q436 V437 Q443 K444 | Q436-E440 VanDerWaalsContact O-CB 3.26Å; Q436-E440 WeakPolarHBondContact O-CB 3.47Å; Q436-E440 PolarHBondContact O-N 2.88Å; V437-E440 PolarHBondContact O-N 2.91Å; E440-Q443 PolarHBondContact O-N 2.84Å; E440-K444 HydrophobicContact CG-CD 4.19Å; E440-K444 WeakPolarHBondContact O-CB 3.47Å; E440-K444 VanDerWaalsContact O-CG 3.27Å; E440-K444 WeakPolarHBondContact O-CG 3.24Å; E440-K444 PolarHBondContact O-N 3.25Å; E440-K444 WeakPolarHBondContact OE1-CE 3.37Å; E440-K444 IonicContact OE1-NZ 3.53Å; E440-K444 PolarHBondContact OE1-NZ 3.4Å; E440-K444 WeakPolarHBondContact OE2-CE 3.46Å; E440-K444 IonicContact OE2-NZ 2.69Å; E440-K444 PolarHBondContact OE2-NZ 2.61Å |
| 441 | Q | 88.1 | Confident | 77.8 | Confident | 105 Ų | 105 | 111.3 Ų | 111.3 | 49% | 0.491 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.2 | -38.8 | 175.3 | -174.6 | 174.9 | 27.5 | 0 | 0 | 111.5 | V437 I438 K444 N445 | V437-Q441 WeakPolarHBondContact O-CB 3.4Å; V437-Q441 PolarHBondContact O-N 3.08Å; I438-Q441 PolarHBondContact O-N 2.99Å; Q441-K444 PolarHBondContact O-N 2.9Å; Q441-N445 WeakPolarHBondContact CG-ND2 3.41Å; Q441-N445 WeakPolarHBondContact O-CB 3.35Å; Q441-N445 PolarHBondContact O-N 3.21Å; Q441-N445 PolarHBondContact O-ND2 3.3Å |
| 442 | L | 85.4 | Confident | 75.7 | Confident | 118 Ų | 118 | 112.9 Ų | 112.9 | 62% | 0.618 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.9 | -39 | 173.4 | -75.4 | 170.7 | 0 | 0 | 0 | 111.9 | I438 S439 G446 | I438-L442 HydrophobicContact CG2-CD1 3.93Å; I438-L442 HydrophobicContact CG2-CG 4.37Å; I438-L442 WeakPolarHBondContact O-CB 3.11Å; I438-L442 VanDerWaalsContact O-CG 3.27Å; I438-L442 WeakPolarHBondContact O-CG 3.27Å; I438-L442 PolarHBondContact O-N 3.49Å; S439-L442 PolarHBondContact O-N 3.42Å; L442-G446 WeakPolarHBondContact O-CA 3.46Å; L442-G446 PolarHBondContact O-N 3.39Å |
| 443 | Q | 80.8 | Confident | 73.8 | Confident | 139 Ų | 139 | 116.3 Ų | 116.3 | 65% | 0.65 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.2 | -47.7 | 171.8 | -70.2 | 173.7 | 38.5 | 0 | 0 | 111.4 | S439 E440 N445 L447 | S439-Q443 WeakPolarHBondContact O-CG 3.42Å; S439-Q443 PolarHBondContact O-N 2.88Å; E440-Q443 PolarHBondContact O-N 2.84Å; Q443-N445 VanDerWaalsContact C-N 3.3Å; Q443-N445 PolarHBondContact O-N 3.21Å; Q443-L447 PolarHBondContact O-N 3.31Å |
| 444 | K | 78.8 | Confident | 72 | Confident | 105 Ų | 105 | 119 Ų | 119 | 46% | 0.457 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.1 | -28.3 | 179.1 | -74.3 | 171 | 176.9 | 172.8 | 0 | 113.9 | E440 Q441 R448 | E440-K444 HydrophobicContact CG-CD 4.19Å; E440-K444 WeakPolarHBondContact O-CB 3.47Å; E440-K444 VanDerWaalsContact O-CG 3.27Å; E440-K444 WeakPolarHBondContact O-CG 3.24Å; E440-K444 PolarHBondContact O-N 3.25Å; E440-K444 WeakPolarHBondContact OE1-CE 3.37Å; E440-K444 IonicContact OE1-NZ 3.53Å; E440-K444 PolarHBondContact OE1-NZ 3.4Å; E440-K444 WeakPolarHBondContact OE2-CE 3.46Å; E440-K444 IonicContact OE2-NZ 2.69Å; E440-K444 PolarHBondContact OE2-NZ 2.61Å; Q441-K444 PolarHBondContact O-N 2.9Å; K444-R448 PolarHBondContact O-NE 2.91Å |
| 445 | N | 72.5 | Confident | 69.7 | Low | 79 Ų | 79 | 120.7 Ų | 120.7 | 42% | 0.422 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -94.2 | -34.5 | 179.2 | -70.3 | -17.7 | 0 | 0 | 0 | 112.9 | Q441 Q443 L447 R448 | Q441-N445 WeakPolarHBondContact CG-ND2 3.41Å; Q441-N445 WeakPolarHBondContact O-CB 3.35Å; Q441-N445 PolarHBondContact O-N 3.21Å; Q441-N445 PolarHBondContact O-ND2 3.3Å; Q443-N445 VanDerWaalsContact C-N 3.3Å; Q443-N445 PolarHBondContact O-N 3.21Å; N445-L447 VanDerWaalsContact C-N 3.34Å; N445-R448 PolarHBondContact O-N 2.97Å |
| 446 | G | 60.8 | Low | 67.8 | Low | 43 Ų | 43 | 117.1 Ų | 117.1 | 44% | 0.443 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.1 | -36.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L442 R448 | L442-G446 WeakPolarHBondContact O-CA 3.46Å; L442-G446 PolarHBondContact O-N 3.39Å; G446-R448 PolarHBondContact O-N 3.12Å |
| 447 | L | 54.3 | Low | 65.5 | Low | 151 Ų | 151 | 119.5 Ų | 119.5 | 79% | 0.791 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -11.7 | 177.5 | -161.1 | 66.6 | 0 | 0 | 0 | 114 | Q443 N445 | Q443-L447 PolarHBondContact O-N 3.31Å; N445-L447 VanDerWaalsContact C-N 3.34Å |
| 448 | R | 57.2 | Low | 63.1 | Low | 206 Ų | 206 | 122.4 Ų | 122.4 | 78% | 0.777 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 1.4 | -176.4 | -58.5 | -164.3 | -157.3 | -158.7 | 7 | 115.4 | K444 N445 G446 | K444-R448 PolarHBondContact O-NE 2.91Å; N445-R448 PolarHBondContact O-N 2.97Å; G446-R448 PolarHBondContact O-N 3.12Å |
| 449 | K | 58.8 | Low | 61 | Low | 182 Ų | 182 | 124.1 Ų | 124.1 | 79% | 0.791 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | -16.6 | -175.6 | -58.8 | -167.1 | -175 | -176.1 | 0 | 115.2 | | |
| 450 | N | 50.1 | Low | 58.6 | Low | 143 Ų | 143 | 127.4 Ų | 127.4 | 77% | 0.765 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -96.7 | 111.6 | 169.3 | -67.4 | -11.3 | 0 | 0 | 0 | 108.3 | I452 | N450-I452 PolarHBondContact O-N 2.96Š|
| 451 | G | 43 | Very low | 56.6 | Low | 67 Ų | 67 | 130.5 Ų | 130.5 | 69% | 0.691 | 69% | 0.692 | S | S | * | * | | | trans | -60.8 | 128.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111.5 | L453 | G451-L453 PolarHBondContact O-N 3.05Š|
| 452 | I | 47.9 | Very low | 54.3 | Low | 130 Ų | 130 | 133.6 Ų | 133.6 | 67% | 0.667 | 70% | 0.704 | S | S | * | * | | | trans | 15.4 | 80.5 | 142.3 | -73.3 | 160.2 | 0 | 0 | 0 | 114.2 | N450 K454 | N450-I452 PolarHBondContact O-N 2.96Å; I452-K454 HydrophobicContact CG2-CB 4.49Å; I452-K454 HydrophobicContact CG2-CD 3.66Å; I452-K454 HydrophobicContact CG2-CG 3.82Å |
| 453 | L | 49.1 | Very low | 52.6 | Low | 170 Ų | 170 | 136.8 Ų | 136.8 | 89% | 0.89 | 71% | 0.713 | S | S | * | * | | | trans | -96.5 | 81.7 | 145.5 | -71.5 | -178 | 0 | 0 | 0 | 107.2 | G451 N455 | G451-L453 PolarHBondContact O-N 3.05Å; L453-N455 PolarHBondContact O-N 3.47Å |
| 454 | K | 53.3 | Low | 50.5 | Low | 166 Ų | 166 | 133.1 Ų | 133.1 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | | | trans | -67.9 | 88 | 162.4 | -71 | 159.3 | -174.7 | 177.4 | 0 | 107.2 | I452 | I452-K454 HydrophobicContact CG2-CB 4.49Å; I452-K454 HydrophobicContact CG2-CD 3.66Å; I452-K454 HydrophobicContact CG2-CG 3.82Å |
| 455 | N | 44.7 | Very low | 48.7 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 84% | 0.84 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -168.2 | 124.7 | 151.5 | -89.6 | -23.4 | 0 | 0 | 0 | 106.8 | L453 L457 | L453-N455 PolarHBondContact O-N 3.47Å; N455-L457 PolarHBondContact O-N 3.15Å |
| 456 | G | 50.3 | Low | 47.1 | Very low | 82 Ų | 82 | 140.9 Ų | 140.9 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | | | trans | -70.7 | 118.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 457 | L | 43.4 | Very low | 46.1 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 88% | 0.88 | 76% | 0.757 | S | S | * | * | | | trans | -128.6 | 121.2 | 151.2 | -72.7 | 177 | 0 | 0 | 0 | 108 | N455 C459 | N455-L457 PolarHBondContact O-N 3.15Å; L457-C459 PolarHBondContact O-N 3.43Å |
| 458 | I | 42.4 | Very low | 45.2 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | | | trans | -64.7 | 114.1 | 170.8 | -67.8 | 161.2 | 0 | 0 | 0 | 106.3 | D460 | I458-D460 PolarHBondContact O-N 2.86Š|
| 459 | C | 44.1 | Very low | 44 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | | | trans | -78.8 | 78.4 | 176 | -166.9 | 0 | 0 | 0 | 0 | 109.2 | L457 F461 | L457-C459 PolarHBondContact O-N 3.43Å; C459-F461 PolarHBondContact O-N 3.22Å |
| 460 | D | 37.1 | Very low | 42.8 | Very low | 113 Ų | 113 | 138 Ų | 138 | 60% | 0.604 | 75% | 0.751 | S | S | * | * | | | trans | -67.2 | 83.9 | 168.7 | -93.3 | -45.6 | 0 | 0 | 0 | 109.4 | I458 K462 | I458-D460 PolarHBondContact O-N 2.86Å; D460-K462 HydrophobicContact CB-CG 4.41Å; D460-K462 PolarHBondContact O-N 3.29Å |
| 461 | F | 46.4 | Very low | 42.1 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | trans | -73.8 | 69.1 | 175.9 | -140.6 | -82.6 | 0 | 0 | 0 | 110.6 | C459 F463 | C459-F461 PolarHBondContact O-N 3.22Å; F461-F463 HydrophobicContact CD1-CD2 4.2Å; F461-F463 AromaticContact CD1-CE2 3.99Å; F461-F463 HydrophobicContact CD1-CE2 3.99Å; F461-F463 HydrophobicContact CE1-CE2 4.12Å; F461-F463 PolarHBondContact O-N 2.7Å |
| 462 | K | 41.1 | Very low | 41.8 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 74% | 0.735 | 75% | 0.754 | S | S | * | * | | | trans | -73.8 | 103.5 | 174.3 | -62.7 | -66.6 | 179.9 | -174.2 | 0 | 108.9 | D460 G464 | D460-K462 HydrophobicContact CB-CG 4.41Å; D460-K462 PolarHBondContact O-N 3.29Å; K462-G464 PolarHBondContact O-N 2.69Å |
| 463 | F | 48.4 | Very low | 41.5 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | | | trans | -59 | 102.2 | 162.4 | -90.3 | -94.4 | 0 | 0 | 0 | 109.4 | F461 | F461-F463 HydrophobicContact CD1-CD2 4.2Å; F461-F463 AromaticContact CD1-CE2 3.99Å; F461-F463 HydrophobicContact CD1-CE2 3.99Å; F461-F463 HydrophobicContact CE1-CE2 4.12Å; F461-F463 PolarHBondContact O-N 2.7Å |
| 464 | G | 37.3 | Very low | 41 | Very low | 62 Ų | 62 | 142.8 Ų | 142.8 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 136.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | K462 W466 | K462-G464 PolarHBondContact O-N 2.69Å; G464-W466 PolarHBondContact O-N 2.89Å |
| 465 | P | 40.9 | Very low | 40.4 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 62% | 0.617 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 117.8 | 178.5 | -16.4 | 29.3 | 0 | 0 | 0 | 110.6 | K467 | P465-K467 HydrophobicContact CB-CD 4.47Å; P465-K467 WeakPolarHBondContact O-CD 3.5Å; P465-K467 WeakPolarHBondContact O-CE 3.35Å; P465-K467 WeakPolarHBondContact O-CG 3.28Å; P465-K467 PolarHBondContact O-N 3.25Å |
| 466 | W | 39.7 | Very low | 40.2 | Very low | 253 Ų | 253 | 141 Ų | 141 | 96% | 0.958 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 123.1 | 170.9 | -173 | -51.2 | 0 | 0 | 0 | 109.3 | G464 | G464-W466 PolarHBondContact O-N 2.89Š|
| 467 | K | 39.2 | Very low | 39.4 | Very low | 154 Ų | 154 | 144.8 Ų | 144.8 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | | | trans | -151 | 102.8 | 176 | 48.8 | -144.9 | 166 | -168.3 | 0 | 111.7 | P465 | P465-K467 HydrophobicContact CB-CD 4.47Å; P465-K467 WeakPolarHBondContact O-CD 3.5Å; P465-K467 WeakPolarHBondContact O-CE 3.35Å; P465-K467 WeakPolarHBondContact O-CG 3.28Å; P465-K467 PolarHBondContact O-N 3.25Å |
| 468 | N | 34.8 | Very low | 39.5 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | | | trans | 36.3 | 94.4 | 147.1 | -54.6 | -16.7 | 0 | 0 | 0 | 116.3 | T470 | N468-T470 PolarHBondContact O-N 3.32Å; N468-T470 VanDerWaalsContact O-N 3.08Å |
| 469 | S | 32.7 | Very low | 39.8 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | | | trans | -69.3 | 98.8 | 165.4 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | F471 | S469-F471 PolarHBondContact O-N 3.04Š|
| 470 | T | 33.1 | Very low | 39.9 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 71% | 0.712 | 75% | 0.746 | S | S | * | * | | | trans | -86.9 | 100.6 | 166.6 | -60.1 | 0 | 0 | 0 | 0 | 108.3 | N468 | N468-T470 PolarHBondContact O-N 3.32Å; N468-T470 VanDerWaalsContact O-N 3.08Å |
| 471 | F | 35.5 | Very low | 40.1 | Very low | 180 Ų | 180 | 147.1 Ų | 147.1 | 79% | 0.789 | 76% | 0.758 | S | S | * | * | | | trans | -65.2 | 139.5 | 177.3 | -139.9 | -98.1 | 0 | 0 | 0 | 110.8 | S469 | S469-F471 PolarHBondContact O-N 3.04Š|
| 472 | K | 36.8 | Very low | 39.9 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | | | trans | -123.8 | 120.4 | 169.4 | -76.9 | -69.3 | -176.2 | -177.7 | 0 | 107.7 | | |
| 473 | P | 41 | Very low | 39.6 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | trans | -77.3 | 138.7 | 173.3 | 32.1 | -32.1 | 0 | 0 | 0 | 109.5 | | |
| 474 | T | 38.1 | Very low | 39.5 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 87% | 0.871 | 77% | 0.765 | S | S | * | * | | | trans | -118.4 | 147.6 | 165.6 | -49.8 | 0 | 0 | 0 | 0 | 108 | | |
| 475 | I | 41.6 | Very low | 39.8 | Very low | 127 Ų | 127 | 142.2 Ų | 142.2 | 65% | 0.651 | 77% | 0.773 | S | S | * | * | | | trans | -90.7 | 149.9 | -155.3 | -159.8 | 157.8 | 0 | 0 | 0 | 113.4 | | |
| 476 | E | 41.3 | Very low | 40.2 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | | | trans | 32.2 | 124.8 | 151.1 | -67.3 | 150.3 | -150.2 | 0 | 0 | 121.1 | | |
| 477 | N | 33.5 | Very low | 40.3 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | | | | -154.6 | 143.2 | 126 | -162.3 | 24.4 | 0 | 0 | 0 | 110.2 | | |
| 478 | D | 45.6 | Very low | 40.8 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | | | trans | -94.2 | 177 | -165.2 | -71.8 | -59.3 | 0 | 0 | 0 | 115.3 | | |
| 479 | D | 47.1 | Very low | 41.9 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | | | trans | 61.9 | 97.1 | 155.8 | -58.2 | -27.3 | 0 | 0 | 0 | 119.8 | | |
| 480 | T | 45.8 | Very low | 43.4 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | -149 | 104 | 135 | -51.1 | 0 | 0 | 0 | 0 | 111 | T482 | T480-T482 PolarHBondContact O-N 3.45Š|
| 481 | E | 42.4 | Very low | 44.4 | Very low | 183 Ų | 183 | 139.5 Ų | 139.5 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | | | trans | -64.3 | 125.5 | 171.7 | -56.1 | 178.8 | 138.2 | 0 | 0 | 110.6 | S483 | E481-S483 PolarHBondContact O-N 3.5Š|
| 482 | T | 41.6 | Very low | 45.4 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | -101.2 | 78.4 | 171.4 | 31 | 0 | 0 | 0 | 0 | 110.7 | T480 S484 | T480-T482 PolarHBondContact O-N 3.45Å; T482-S484 PolarHBondContact O-N 3.45Å; T482-S484 PolarHBondContact O-OG 3.43Å |
| 483 | S | 36.3 | Very low | 45.9 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | -52.1 | 131.9 | 169.1 | -149.6 | 0 | 0 | 0 | 0 | 110.7 | E481 | E481-S483 PolarHBondContact O-N 3.5Š|
| 484 | S | 46.3 | Very low | 46.1 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | -133.7 | 93.6 | -174.7 | -66.4 | 0 | 0 | 0 | 0 | 111.7 | T482 | T482-S484 PolarHBondContact O-N 3.45Å; T482-S484 PolarHBondContact O-OG 3.43Å |
| 485 | S | 41.6 | Very low | 46.5 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -149.4 | 149 | 164.7 | -51.2 | 0 | 0 | 0 | 0 | 105.9 | | |
| 486 | D | 50.3 | Low | 46.8 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 75% | 0.749 | 81% | 0.809 | S | S | * | * | | | cis | -161.3 | 173.6 | 17.4 | -173.3 | 20 | 0 | 0 | 0 | 110.5 | | |
| 487 | T | 42.9 | Very low | 47.2 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | | | trans | 122.8 | 136.8 | 143.1 | 65.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 488 | S | 49.2 | Very low | 48 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | 68.4 | 138.4 | 176.5 | 62.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 489 | D | 58.1 | Low | 48.2 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | | | cis | -143 | 176.1 | 26 | -152.8 | 1.9 | 0 | 0 | 0 | 113.7 | | |
| 490 | D | 63 | Low | 48.2 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 75% | 0.754 | 82% | 0.822 | S | S | * | * | | | trans | -88.4 | -169.6 | -160.2 | -143.5 | -20.8 | 0 | 0 | 0 | 116.9 | | |
| 491 | D | 55.5 | Low | 48.4 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 75% | 0.749 | 82% | 0.822 | S | S | * | * | | | trans | 83.8 | 132.5 | 170.1 | -57 | -24.2 | 0 | 0 | 0 | 116.8 | | |
| 492 | D | 54.5 | Low | 48.9 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | | | cis | -156.3 | 169.9 | 2.4 | -144.4 | -20.8 | 0 | 0 | 0 | 111.9 | | |
| 493 | V | 47.9 | Very low | 49.6 | Very low | 205 Ų | 205 | 136.9 Ų | 136.9 | 100% | 1.242 | 82% | 0.823 | S | S | * | * | | | trans | -41.4 | 0 | -170 | 178 | 0 | 0 | 0 | 0 | 119.2 | | |