| 1 | M | 45.9 | Very low | 56.9 | Low | 238 Ų | 238 | 132.5 Ų | 132.5 | 100% | 1.172 | 83% | 0.825 | S | S | * | * | | | | 0 | 85.7 | 0 | -175.8 | 172.8 | 141.7 | 0 | 0 | 108 | | |
| 2 | V | 46.5 | Very low | 56.6 | Low | 145 Ų | 145 | 135.3 Ų | 135.3 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | | | trans | -144.9 | 105.6 | 171.5 | -176.3 | 0 | 0 | 0 | 0 | 105.3 | | |
| 3 | V | 48.5 | Very low | 55.8 | Low | 128 Ų | 128 | 141.9 Ų | 141.9 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | | | trans | -93.5 | 111.3 | -179.9 | 175.4 | 0 | 0 | 0 | 0 | 106.6 | V5 | V3-V5 HydrophobicContact CG1-CG2 4.4Š|
| 4 | A | 57.5 | Low | 55.5 | Low | 90 Ų | 90 | 142.6 Ų | 142.6 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | | | trans | -79.4 | 117.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 5 | V | 62.9 | Low | 54.8 | Low | 130 Ų | 130 | 139.9 Ų | 139.9 | 79% | 0.788 | 81% | 0.814 | S | S | * | * | | | trans | -96.7 | 113.8 | 172 | 177.2 | 0 | 0 | 0 | 0 | 107.5 | V3 | V3-V5 HydrophobicContact CG1-CG2 4.4Š|
| 6 | V | 61.7 | Low | 54.6 | Low | 135 Ų | 135 | 139.4 Ų | 139.4 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -93 | 116.9 | 171.1 | 175.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 7 | A | 61.4 | Low | 54.2 | Low | 95 Ų | 95 | 145.2 Ų | 145.2 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -84 | 122.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 8 | A | 52.6 | Low | 53.7 | Low | 97 Ų | 97 | 143.9 Ų | 143.9 | 80% | 0.802 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 123.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 9 | D | 60.1 | Low | 53.2 | Low | 158 Ų | 158 | 140.3 Ų | 140.3 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 135.1 | 172 | -167.5 | 20.6 | 0 | 0 | 0 | 110.2 | | |
| 10 | V | 63.2 | Low | 52.9 | Low | 119 Ų | 119 | 140.7 Ų | 140.7 | 72% | 0.721 | 82% | 0.821 | S | S | * | * | | | trans | -89.5 | 111.6 | -172 | 165.5 | 0 | 0 | 0 | 0 | 108.3 | E12 | V10-E12 PolarHBondContact O-N 3.41Š|
| 11 | V | 65.2 | Low | 52.9 | Low | 123 Ų | 123 | 141.8 Ų | 141.8 | 75% | 0.745 | 82% | 0.824 | S | S | * | * | | | trans | -81.9 | 109.2 | 172.8 | 169.2 | 0 | 0 | 0 | 0 | 109.4 | R13 | V11-R13 PolarHBondContact O-N 3.44Š|
| 12 | E | 53.3 | Low | 52.8 | Low | 166 Ų | 166 | 139.3 Ų | 139.3 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | -69.9 | 121.5 | 167.7 | -75.2 | -171.1 | 158.5 | 0 | 0 | 110.5 | V10 | V10-E12 PolarHBondContact O-N 3.41Š|
| 13 | R | 45.9 | Very low | 53.1 | Low | 221 Ų | 221 | 137.7 Ų | 137.7 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | | | trans | -87.2 | 114.7 | 176.1 | -60.5 | -171.4 | -147.5 | 126 | 1.8 | 109.9 | V11 | V11-R13 PolarHBondContact O-N 3.44Š|
| 14 | N | 51.6 | Low | 53 | Low | 152 Ų | 152 | 137.1 Ų | 137.1 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | -102.6 | 87.9 | 164.3 | -62.7 | -4.1 | 0 | 0 | 0 | 108.2 | | |
| 15 | S | 45.2 | Very low | 52.4 | Low | 102 Ų | 102 | 136.4 Ų | 136.4 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | | | trans | -79.8 | 117.6 | 168.9 | -72.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 16 | S | 51.8 | Low | 51.6 | Low | 131 Ų | 131 | 140 Ų | 140 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | | | trans | -149.5 | 109.6 | 148.8 | -76.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 17 | R | 47.8 | Very low | 50.4 | Low | 239 Ų | 239 | 138 Ų | 138 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | | | trans | -89.4 | 141.8 | -171.2 | 174.3 | -176.9 | 178.1 | -171 | 0.3 | 109.6 | | |
| 18 | S | 46.3 | Very low | 49.8 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | | | trans | 136.5 | 135.6 | 132.8 | 66.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 19 | G | 42.4 | Very low | 49.4 | Very low | 76 Ų | 76 | 140.7 Ų | 140.7 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | | | trans | 117.4 | 65.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 20 | I | 48.3 | Very low | 49.4 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | | | trans | -100.5 | 109.3 | 159.9 | -67.4 | 159.7 | 0 | 0 | 0 | 105.6 | E22 | I20-E22 HydrophobicContact CG2-CG 3.89Š|
| 21 | D | 52.8 | Low | 48.6 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | | | trans | -107.8 | 103.2 | 160.4 | -77.2 | -31 | 0 | 0 | 0 | 107.2 | S23 | D21-S23 PolarHBondContact O-N 3.32Š|
| 22 | E | 43.8 | Very low | 47.3 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | | | trans | -74.4 | 112.6 | 164.7 | -68.7 | -177.9 | 160.7 | 0 | 0 | 107.9 | I20 | I20-E22 HydrophobicContact CG2-CG 3.89Š|
| 23 | S | 53.4 | Low | 47.2 | Very low | 111 Ų | 111 | 140 Ų | 140 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | | | trans | -128.5 | 108.9 | 165.9 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | D21 G25 | D21-S23 PolarHBondContact O-N 3.32Å; S23-G25 PolarHBondContact O-N 3.42Å |
| 24 | S | 46.2 | Very low | 46.8 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | -60.1 | 117.9 | 171.6 | 41.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 25 | G | 43.9 | Very low | 46.5 | Very low | 75 Ų | 75 | 131.1 Ų | 131.1 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | -132.8 | 99.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | S23 | S23-G25 PolarHBondContact O-N 3.42Š|
| 26 | F | 45.7 | Very low | 46.2 | Very low | 207 Ų | 207 | 132.7 Ų | 132.7 | 91% | 0.908 | 82% | 0.815 | S | S | * | * | | | trans | -57.1 | 148.8 | 177.5 | -95.3 | -100.6 | 0 | 0 | 0 | 113 | | |
| 27 | A | 37.6 | Very low | 45.9 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | | | trans | -55.9 | 134.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 28 | V | 49 | Very low | 45.4 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | | | trans | -147 | 109.6 | 146.1 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 29 | S | 44 | Very low | 45.3 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 125.5 | 163.2 | -54.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 30 | P | 59.7 | Low | 45.4 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 116.1 | 170.7 | 30.4 | -25 | 0 | 0 | 0 | 110.2 | | |
| 31 | S | 47.6 | Very low | 45.5 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 136.8 | 159.2 | 165.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 32 | F | 38.1 | Very low | 45.3 | Very low | 187 Ų | 187 | 130.7 Ų | 130.7 | 82% | 0.82 | 80% | 0.802 | S | S | * | * | | | trans | -20.1 | 127.5 | 156.9 | -173.7 | -102.2 | 0 | 0 | 0 | 115.6 | | |
| 33 | V | 49.2 | Very low | 45.7 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | | | | -178.2 | 125.6 | 125.5 | 170.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 34 | G | 38.6 | Very low | 45.9 | Very low | 63 Ų | 63 | 129.3 Ų | 129.3 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | | | trans | 19 | 148.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 124.4 | | |
| 35 | S | 46.1 | Very low | 45.9 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | 96.9 | 106.8 | 158.6 | 68.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 36 | T | 38.7 | Very low | 46.2 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | | | trans | -66.1 | 151.7 | 156.6 | 35.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 37 | P | 44.6 | Very low | 46.2 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | | -148.7 | 158.1 | 74.2 | 34.8 | -13 | 0 | 0 | 0 | 117.7 | | |
| 38 | D | 37.3 | Very low | 47.2 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | | | trans | 19.1 | 118.5 | 151 | -65.9 | -23.5 | 0 | 0 | 0 | 120.6 | | |
| 39 | S | 44.2 | Very low | 47.1 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | -151.9 | 112 | 148.4 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 40 | V | 43.8 | Very low | 47.3 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -55.2 | 122.7 | 166.4 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 41 | V | 51.6 | Low | 46.6 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | trans | -154.2 | 108.1 | 149.5 | -178.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 42 | K | 49.2 | Very low | 46 | Very low | 182 Ų | 182 | 137.9 Ų | 137.9 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | trans | 44.2 | 108.7 | 139.2 | -57.8 | 177.9 | 179.1 | -179.8 | 0 | 120.3 | | |
| 43 | S | 50.5 | Low | 46.4 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | | | trans | -79.7 | 128.6 | 150.3 | 42.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 44 | N | 58.5 | Low | 45.9 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -109.7 | 113.3 | 161.6 | -77 | -48.7 | 0 | 0 | 0 | 107.6 | | |
| 45 | Y | 46.1 | Very low | 46.2 | Very low | 204 Ų | 204 | 141.3 Ų | 141.3 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | | | trans | -96.4 | 117 | 170.5 | -167.3 | -93.6 | 0 | 0 | 0 | 107.3 | D47 | Y45-D47 HydrophobicContact CD1-CB 4.25Å; Y45-D47 HydrophobicContact CE1-CB 4Å |
| 46 | T | 51.2 | Low | 46 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | | | trans | -104.7 | 98.2 | 174 | -17.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 47 | D | 45.8 | Very low | 46.1 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 63% | 0.631 | 78% | 0.775 | S | S | * | * | | | trans | -76.3 | 132.7 | 168.7 | -141.3 | -13.1 | 0 | 0 | 0 | 108.6 | Y45 | Y45-D47 HydrophobicContact CD1-CB 4.25Å; Y45-D47 HydrophobicContact CE1-CB 4Å |
| 48 | K | 58.5 | Low | 46.1 | Very low | 178 Ų | 178 | 149 Ų | 149 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | | | trans | -122.8 | 94.8 | 174.4 | -66.4 | -170 | -177.2 | -175.9 | 0 | 107.9 | | |
| 49 | E | 46.7 | Very low | 45.9 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | -65.8 | 131.9 | 163.6 | -63.1 | -163.9 | 163.4 | 0 | 0 | 110.2 | | |
| 50 | T | 47.7 | Very low | 45.9 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | | | trans | -127.5 | 110.1 | 161.7 | -46.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 51 | T | 44 | Very low | 45.6 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | | | trans | -76.3 | 133.8 | -178.4 | -57.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 52 | T | 36.5 | Very low | 45 | Very low | 113 Ų | 113 | 149.7 Ų | 149.7 | 69% | 0.693 | 78% | 0.779 | S | S | * | * | | | trans | 45.7 | 125.9 | 138.5 | -51.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 53 | T | 46 | Very low | 44.2 | Very low | 144 Ų | 144 | 145.8 Ų | 145.8 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | | -153.5 | 128.1 | 116.3 | -49.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 54 | R | 37.7 | Very low | 43.4 | Very low | 206 Ų | 206 | 146.7 Ų | 146.7 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | | | trans | -90.1 | 133.8 | 179 | 168.6 | -176.8 | 179.3 | 173.3 | -0.2 | 109.2 | | |
| 55 | A | 45 | Very low | 42.4 | Very low | 102 Ų | 102 | 145.6 Ų | 145.6 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | | | trans | -129.5 | 137.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 56 | E | 42 | Very low | 41.8 | Very low | 129 Ų | 129 | 139 Ų | 139 | 60% | 0.603 | 77% | 0.772 | S | S | * | * | | | trans | -80.2 | 149.3 | -163.1 | -74.3 | -176.8 | 106.2 | 0 | 0 | 115.7 | | |
| 57 | R | 42.2 | Very low | 41.1 | Very low | 202 Ų | 202 | 142.6 Ų | 142.6 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | 43.2 | 122.1 | 132.7 | -61.8 | 172.4 | 169.1 | 156.4 | -13 | 119.3 | | |
| 58 | K | 43.8 | Very low | 40.7 | Very low | 207 Ų | 207 | 145.8 Ų | 145.8 | 90% | 0.9 | 79% | 0.792 | S | S | * | * | | | | -168.4 | 135.3 | 95.9 | -101.6 | -170.7 | 179.5 | -164.4 | 0 | 111.1 | | |
| 59 | A | 32.6 | Very low | 39.8 | Very low | 93 Ų | 93 | 141.6 Ų | 141.6 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -77.3 | 147.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 60 | L | 44.5 | Very low | 39.4 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | | | trans | -176.8 | 125.7 | 134.6 | -99.9 | 163.8 | 0 | 0 | 0 | 109.8 | | |
| 61 | D | 36.8 | Very low | 39 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | | | trans | 16.2 | 124.2 | 147.5 | -60 | -34.5 | 0 | 0 | 0 | 118.9 | | |
| 62 | D | 39.7 | Very low | 39 | Very low | 162 Ų | 162 | 146.9 Ų | 146.9 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | | | | -164.3 | 146.7 | 95.3 | -138.1 | -18 | 0 | 0 | 0 | 112.5 | | |
| 63 | S | 32.8 | Very low | 39.2 | Very low | 101 Ų | 101 | 146.7 Ų | 146.7 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | -84.3 | 173.1 | -175.8 | -71.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 64 | V | 33.9 | Very low | 38.9 | Very low | 139 Ų | 139 | 147.4 Ų | 147.4 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | | | trans | 88.9 | 79.5 | 156.5 | -160.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 65 | S | 37.3 | Very low | 39.1 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | | 175.1 | 131.5 | 125.3 | 60.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 66 | G | 34.1 | Very low | 39 | Very low | 65 Ų | 65 | 147 Ų | 147 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | | | trans | 161.3 | -12.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q68 | G66-Q68 VanDerWaalsContact C-N 3.35Å; G66-Q68 PolarHBondContact O-N 3.14Å |
| 67 | Q | 36.3 | Very low | 39 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 3.8 | -175 | -83.2 | -172.7 | -28.8 | 0 | 0 | 115.9 | | |
| 68 | Q | 36.7 | Very low | 39.1 | Very low | 186 Ų | 186 | 148.4 Ų | 148.4 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -9.4 | -179.7 | -110.8 | 174.6 | -13.7 | 0 | 0 | 115.7 | G66 | G66-Q68 VanDerWaalsContact C-N 3.35Å; G66-Q68 PolarHBondContact O-N 3.14Å |
| 69 | A | 39.4 | Very low | 39.1 | Very low | 89 Ų | 89 | 146.4 Ų | 146.4 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 0.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 70 | L | 39.4 | Very low | 39.5 | Very low | 152 Ų | 152 | 150.1 Ų | 150.1 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 3.6 | -169.6 | -146.9 | 126.3 | 0 | 0 | 0 | 114.6 | | |
| 71 | R | 39.2 | Very low | 39.3 | Very low | 218 Ų | 218 | 150.6 Ų | 150.6 | 82% | 0.823 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -102.2 | -7.4 | -175.3 | -73.4 | -78.4 | -179.7 | -163.6 | -2 | 114.9 | | |
| 72 | E | 42.3 | Very low | 39.7 | Very low | 163 Ų | 163 | 151.4 Ų | 151.4 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -98.8 | -14 | 179.8 | -63.7 | -159.8 | 159.6 | 0 | 0 | 114.6 | Q74 | E72-Q74 PolarHBondContact O-N 2.9Š|
| 73 | T | 40.6 | Very low | 39.8 | Very low | 109 Ų | 109 | 151.9 Ų | 151.9 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -13.1 | -175 | -33.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 74 | Q | 41.6 | Very low | 40.9 | Very low | 159 Ų | 159 | 152.8 Ų | 152.8 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -15 | -176.5 | -99.7 | -154.7 | 19.8 | 0 | 0 | 115.6 | E72 | E72-Q74 PolarHBondContact O-N 2.9Š|
| 75 | K | 40.5 | Very low | 41.5 | Very low | 179 Ų | 179 | 152.3 Ų | 152.3 | 78% | 0.778 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -89.9 | -10.1 | 178.9 | -70.1 | -173.9 | 178.8 | -179.3 | 0 | 114.1 | | |
| 76 | N | 43 | Very low | 42.4 | Very low | 122 Ų | 122 | 151.7 Ų | 151.7 | 65% | 0.652 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -95.1 | -1.5 | -179.8 | -77.7 | -39.9 | 0 | 0 | 0 | 114.7 | | |
| 77 | F | 42.6 | Very low | 43 | Very low | 158 Ų | 158 | 152 Ų | 152 | 69% | 0.693 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -86.7 | -22.2 | -178.2 | -140.5 | -97.4 | 0 | 0 | 0 | 113.7 | | |
| 78 | F | 44.1 | Very low | 43.8 | Very low | 201 Ų | 201 | 148.9 Ų | 148.9 | 88% | 0.882 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -93.1 | -4.9 | 179 | -78.4 | -82.8 | 0 | 0 | 0 | 114.6 | | |
| 79 | Q | 42.8 | Very low | 44.5 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | | | trans | -107.3 | 10.7 | 171.6 | -70.8 | -155.6 | 42 | 0 | 0 | 113.2 | K81 | Q79-K81 PolarHBondContact O-N 2.83Š|
| 80 | K | 41.6 | Very low | 45.1 | Very low | 170 Ų | 170 | 148 Ų | 148 | 74% | 0.739 | 71% | 0.713 | S | S | * | * | | | trans | -71.6 | 84.3 | 174 | -156.9 | 173.8 | -174 | -179.2 | 0 | 108.5 | L82 | K80-L82 PolarHBondContact O-N 3.48Š|
| 81 | K | 41.1 | Very low | 45 | Very low | 165 Ų | 165 | 150 Ų | 150 | 72% | 0.717 | 72% | 0.721 | S | S | * | * | | | trans | -15.9 | 115.5 | 165.8 | -99.2 | 173.8 | 172 | 170.9 | 0 | 110.3 | Q79 K83 | Q79-K81 PolarHBondContact O-N 2.83Å; K81-K83 HydrophobicContact CB-CG 4.45Å; K81-K83 PolarHBondContact O-N 2.9Å |
| 82 | L | 45.2 | Very low | 45.7 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 82% | 0.817 | 71% | 0.712 | S | S | * | * | | | trans | -61.5 | 71 | 156.2 | -164.8 | 79.2 | 0 | 0 | 0 | 107.7 | K80 I84 | K80-L82 PolarHBondContact O-N 3.48Å; L82-I84 HydrophobicContact CD2-CD1 3.92Å; L82-I84 HydrophobicContact CD2-CG1 4.04Å; L82-I84 HydrophobicContact CG-CD1 4.23Å; L82-I84 HydrophobicContact CG-CG1 3.78Å; L82-I84 PolarHBondContact O-N 3Å |
| 83 | K | 42.3 | Very low | 45.6 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | | | trans | -75.3 | 83.1 | 163.5 | -99.6 | -179.6 | 172.6 | -174.9 | 0 | 104.9 | K81 N85 | K81-K83 HydrophobicContact CB-CG 4.45Å; K81-K83 PolarHBondContact O-N 2.9Å; K83-N85 PolarHBondContact O-N 3.21Å |
| 84 | I | 54.8 | Low | 45.8 | Very low | 120 Ų | 120 | 144 Ų | 144 | 62% | 0.615 | 72% | 0.716 | S | S | * | * | | | trans | -66.2 | 90.5 | 159.2 | -48.2 | -178.2 | 0 | 0 | 0 | 104.4 | L82 I86 | L82-I84 HydrophobicContact CD2-CD1 3.92Å; L82-I84 HydrophobicContact CD2-CG1 4.04Å; L82-I84 HydrophobicContact CG-CD1 4.23Å; L82-I84 HydrophobicContact CG-CG1 3.78Å; L82-I84 PolarHBondContact O-N 3Å; I84-I86 HydrophobicContact CB-CG1 4.49Å; I84-I86 HydrophobicContact CG2-CD1 4.28Å; I84-I86 HydrophobicContact CG2-CG1 3.63Å; I84-I86 PolarHBondContact O-N 3.13Å |
| 85 | N | 47.6 | Very low | 45.8 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 68% | 0.684 | 72% | 0.717 | S | S | * | * | | | trans | -73.3 | 85 | 169.4 | -169.8 | 4.3 | 0 | 0 | 0 | 106.5 | K83 T87 | K83-N85 PolarHBondContact O-N 3.21Å; N85-T87 PolarHBondContact ND2-OG1 3.16Å; N85-T87 PolarHBondContact O-N 3.28Å; N85-T87 PolarHBondContact OD1-OG1 3.31Å |
| 86 | I | 55.6 | Low | 45.9 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 57% | 0.574 | 72% | 0.719 | S | S | * | * | | | trans | -69.9 | 80.1 | 163.1 | -53.9 | 175.2 | 0 | 0 | 0 | 104.6 | I84 N88 | I84-I86 HydrophobicContact CB-CG1 4.49Å; I84-I86 HydrophobicContact CG2-CD1 4.28Å; I84-I86 HydrophobicContact CG2-CG1 3.63Å; I84-I86 PolarHBondContact O-N 3.13Å; I86-N88 VanDerWaalsContact C-N 3.29Å; I86-N88 WeakPolarHBondContact CG2-OD1 3.28Å; I86-N88 PolarHBondContact O-N 2.83Å; I86-N88 PolarHBondContact O-OD1 3.3Å |
| 87 | T | 47.4 | Very low | 45.7 | Very low | 73 Ų | 73 | 138.8 Ų | 138.8 | 45% | 0.448 | 72% | 0.721 | S | S | . | * | | | trans | -81.5 | 87.6 | 166.1 | -59.9 | 0 | 0 | 0 | 0 | 106.3 | N85 N89 | N85-T87 PolarHBondContact ND2-OG1 3.16Å; N85-T87 PolarHBondContact O-N 3.28Å; N85-T87 PolarHBondContact OD1-OG1 3.31Å; T87-N89 HydrophobicContact CG2-CB 3.92Å; T87-N89 WeakPolarHBondContact CG2-ND2 3.15Å; T87-N89 WeakPolarHBondContact CG2-OD1 3.48Å; T87-N89 PolarHBondContact O-N 2.82Å |
| 88 | N | 51.4 | Low | 45.8 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 68% | 0.684 | 73% | 0.73 | S | S | * | * | | | trans | -70.7 | 76.8 | 164.3 | 30.4 | -72.2 | 0 | 0 | 0 | 108.8 | I86 | I86-N88 VanDerWaalsContact C-N 3.29Å; I86-N88 WeakPolarHBondContact CG2-OD1 3.28Å; I86-N88 PolarHBondContact O-N 2.83Å; I86-N88 PolarHBondContact O-OD1 3.3Å |
| 89 | N | 51.6 | Low | 45.5 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | | | trans | -105.5 | 136.6 | 168.7 | -71.3 | -0.6 | 0 | 0 | 0 | 109.1 | T87 | T87-N89 HydrophobicContact CG2-CB 3.92Å; T87-N89 WeakPolarHBondContact CG2-ND2 3.15Å; T87-N89 WeakPolarHBondContact CG2-OD1 3.48Å; T87-N89 PolarHBondContact O-N 2.82Å |
| 90 | N | 52.1 | Low | 45.3 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 69% | 0.69 | 72% | 0.723 | S | S | * | * | | | trans | 82 | 69 | 177.1 | -66.3 | 3.7 | 0 | 0 | 0 | 116.6 | I92 | N90-I92 VanDerWaalsContact C-N 3.32Å; N90-I92 HydrophobicContact CB-CD1 4.37Å; N90-I92 HydrophobicContact CB-CG1 4.05Å; N90-I92 PolarHBondContact O-N 3.05Å |
| 91 | M | 38.5 | Very low | 45.1 | Very low | 195 Ų | 195 | 129.8 Ų | 129.8 | 96% | 0.961 | 72% | 0.721 | S | S | * | * | | | | -58.6 | 104.5 | 117.2 | -76.6 | 176.5 | 57.8 | 0 | 0 | 107.6 | | |
| 92 | I | 52.5 | Low | 45.2 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 63% | 0.626 | 73% | 0.729 | S | S | * | * | | | trans | -133 | 112.7 | 155.4 | -60.2 | -177.5 | 0 | 0 | 0 | 106.8 | N90 A94 | N90-I92 VanDerWaalsContact C-N 3.32Å; N90-I92 HydrophobicContact CB-CD1 4.37Å; N90-I92 HydrophobicContact CB-CG1 4.05Å; N90-I92 PolarHBondContact O-N 3.05Å; I92-A94 PolarHBondContact O-N 3.29Å |
| 93 | D | 40.6 | Very low | 45.2 | Very low | 157 Ų | 157 | 128.5 Ų | 128.5 | 84% | 0.84 | 73% | 0.725 | S | S | * | * | | | trans | -40.4 | 115.8 | 158.9 | -135.2 | -18.2 | 0 | 0 | 0 | 110.6 | | |
| 94 | A | 45.3 | Very low | 45 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | | | trans | -147.6 | 60.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | I92 E96 | I92-A94 PolarHBondContact O-N 3.29Å; A94-E96 PolarHBondContact O-N 3.4Å |
| 95 | A | 42.3 | Very low | 44.3 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | | | trans | -67.6 | 76.9 | 149.2 | 0 | 0 | 0 | 0 | 0 | 108 | A97 | A95-A97 PolarHBondContact O-N 3.47Š|
| 96 | E | 40.9 | Very low | 44.1 | Very low | 176 Ų | 176 | 130.8 Ų | 130.8 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | | | trans | -81.2 | 102.4 | 162.6 | -79.2 | -145.1 | 155.4 | 0 | 0 | 108.8 | A94 T98 | A94-E96 PolarHBondContact O-N 3.4Å; E96-T98 PolarHBondContact O-N 3.07Å; E96-T98 VanDerWaalsContact O-N 3.1Å |
| 97 | A | 40.7 | Very low | 43.8 | Very low | 82 Ų | 82 | 132.7 Ų | 132.7 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | trans | -51.9 | 104.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A95 T99 | A95-A97 PolarHBondContact O-N 3.47Å; A97-T99 PolarHBondContact O-N 3.45Å; A97-T99 VanDerWaalsContact O-N 3.16Å |
| 98 | T | 44.3 | Very low | 43.7 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | | | trans | -78.9 | 79.6 | 152.1 | 22.4 | 0 | 0 | 0 | 0 | 107.4 | E96 | E96-T98 PolarHBondContact O-N 3.07Å; E96-T98 VanDerWaalsContact O-N 3.1Å |
| 99 | T | 36.5 | Very low | 43.5 | Very low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | | | trans | -125 | 88.9 | 167.3 | 47.9 | 0 | 0 | 0 | 0 | 108.5 | A97 | A97-T99 PolarHBondContact O-N 3.45Å; A97-T99 VanDerWaalsContact O-N 3.16Å |
| 100 | T | 39.4 | Very low | 43.9 | Very low | 126 Ų | 126 | 138 Ų | 138 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -121.3 | 111.5 | 159.6 | -56.5 | 0 | 0 | 0 | 0 | 106.5 | | |
| 101 | T | 38.2 | Very low | 44.2 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | | | trans | 57.7 | 101.3 | 155 | 56.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 102 | E | 42.7 | Very low | 44.7 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | | | | -178.2 | 129.8 | 108 | -95.6 | 169.9 | -166.9 | 0 | 0 | 111.9 | | |
| 103 | S | 44.1 | Very low | 44.8 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | | | trans | 62.1 | 102.3 | 152.7 | -145.1 | 0 | 0 | 0 | 0 | 120.8 | | |
| 104 | T | 38.6 | Very low | 45.2 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | | 55.7 | 116.1 | 120.6 | -37.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 105 | R | 40.9 | Very low | 45.8 | Very low | 237 Ų | 237 | 134.3 Ų | 134.3 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | | | trans | 113.9 | 88.4 | 144.6 | -147.9 | 175.1 | -159 | 175.3 | 3.9 | 116.8 | | |
| 106 | S | 42.6 | Very low | 46.7 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | | 38.8 | 130.3 | 122.9 | -149.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 107 | I | 48.5 | Very low | 47.6 | Very low | 152 Ų | 152 | 131 Ų | 131 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | trans | 81.4 | 123.8 | 155.1 | -16.8 | 179.6 | 0 | 0 | 0 | 119.8 | | |
| 108 | K | 46.1 | Very low | 48.9 | Very low | 204 Ų | 204 | 134.7 Ų | 134.7 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | | | trans | 100.3 | 113.9 | 130.9 | -143.2 | 169.5 | -177.9 | 178.4 | 0 | 117.7 | | |
| 109 | G | 46.9 | Very low | 50.1 | Low | 68 Ų | 68 | 137 Ų | 137 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | trans | 91.6 | 101.6 | 148.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P111 | G109-P111 WeakPolarHBondContact O-CD 3.06Š|
| 110 | I | 59.3 | Low | 51.6 | Low | 167 Ų | 167 | 138.2 Ų | 138.2 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | | | trans | -90.6 | 102.9 | 159.9 | -48.5 | 169.7 | 0 | 0 | 0 | 105.8 | T112 | I110-T112 PolarHBondContact O-N 3.18Š|
| 111 | P | 59.1 | Low | 52.7 | Low | 91 Ų | 91 | 136.8 Ų | 136.8 | 59% | 0.591 | 75% | 0.754 | S | S | * | * | | | trans | -84 | 112.7 | 171.1 | 34.4 | -32.3 | 0 | 0 | 0 | 108.1 | G109 K113 | G109-P111 WeakPolarHBondContact O-CD 3.06Å; P111-K113 HydrophobicContact CB-CG 3.96Å; P111-K113 HydrophobicContact CG-CG 4.4Å; P111-K113 PolarHBondContact O-N 2.9Å |
| 112 | T | 48.7 | Very low | 54.3 | Low | 139 Ų | 139 | 138.7 Ų | 138.7 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | trans | -63.5 | 77.7 | 162.1 | 42.2 | 0 | 0 | 0 | 0 | 109.2 | I110 S114 | I110-T112 PolarHBondContact O-N 3.18Å; T112-S114 PolarHBondContact O-N 2.86Å |
| 113 | K | 56.2 | Low | 55.6 | Low | 178 Ų | 178 | 135.6 Ų | 135.6 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | | | trans | -86.1 | 102.5 | 175.5 | -65.5 | -160 | 174.5 | -170.3 | 0 | 110.1 | P111 A115 | P111-K113 HydrophobicContact CB-CG 3.96Å; P111-K113 HydrophobicContact CG-CG 4.4Å; P111-K113 PolarHBondContact O-N 2.9Å; K113-A115 PolarHBondContact O-N 3.1Å; K113-A115 VanDerWaalsContact O-N 3.16Å |
| 114 | S | 48.3 | Very low | 57 | Low | 102 Ų | 102 | 139.4 Ų | 139.4 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | | | trans | -32.3 | 112.6 | 149.4 | 176.4 | 0 | 0 | 0 | 0 | 111 | T112 V116 | T112-S114 PolarHBondContact O-N 2.86Å; S114-V116 VanDerWaalsContact C-N 3.27Å; S114-V116 PolarHBondContact O-N 3.16Å |
| 115 | A | 57.2 | Low | 58.4 | Low | 100 Ų | 100 | 139.7 Ų | 139.7 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | | | trans | -91.4 | 57.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | K113 S117 | K113-A115 PolarHBondContact O-N 3.1Å; K113-A115 VanDerWaalsContact O-N 3.16Å; A115-S117 VanDerWaalsContact C-N 3.32Å; A115-S117 PolarHBondContact O-N 3.27Å |
| 116 | V | 60.9 | Low | 59.7 | Low | 104 Ų | 104 | 134.7 Ų | 134.7 | 63% | 0.63 | 74% | 0.738 | S | S | * | * | | | trans | -93.1 | 77.4 | 158.6 | 177.9 | 0 | 0 | 0 | 0 | 106.3 | S114 Q118 | S114-V116 VanDerWaalsContact C-N 3.27Å; S114-V116 PolarHBondContact O-N 3.16Å; V116-Q118 VanDerWaalsContact C-N 3.32Å; V116-Q118 HydrophobicContact CG1-CG 4.19Å; V116-Q118 PolarHBondContact O-N 2.91Å; V116-Q118 VanDerWaalsContact O-N 3.13Å |
| 117 | S | 59.5 | Low | 60.7 | Low | 94 Ų | 94 | 141.2 Ų | 141.2 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | | | trans | -81.5 | 86.1 | 171.3 | -172.4 | 0 | 0 | 0 | 0 | 108 | A115 R119 | A115-S117 VanDerWaalsContact C-N 3.32Å; A115-S117 PolarHBondContact O-N 3.27Å; S117-R119 PolarHBondContact O-N 3.4Å |
| 118 | Q | 68.2 | Low | 61.2 | Low | 161 Ų | 161 | 140 Ų | 140 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | | | trans | -69 | 84 | 155.5 | -70.9 | 172 | 35.1 | 0 | 0 | 106.4 | V116 N120 | V116-Q118 VanDerWaalsContact C-N 3.32Å; V116-Q118 HydrophobicContact CG1-CG 4.19Å; V116-Q118 PolarHBondContact O-N 2.91Å; V116-Q118 VanDerWaalsContact O-N 3.13Å; Q118-N120 PolarHBondContact O-N 3.44Å |
| 119 | R | 69.6 | Low | 61.7 | Low | 195 Ų | 195 | 136 Ų | 136 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | | | trans | -70.6 | 108.4 | 158.8 | -81.2 | -176.7 | -76.2 | 127.2 | -5.2 | 105.6 | S117 V121 | S117-R119 PolarHBondContact O-N 3.4Å; R119-V121 HydrophobicContact CB-CG2 4.28Å; R119-V121 PolarHBondContact O-N 3.15Å |
| 120 | N | 69.2 | Low | 62.3 | Low | 142 Ų | 142 | 139.3 Ų | 139.3 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | | | trans | -57 | 99 | 156.3 | -65.5 | -5 | 0 | 0 | 0 | 105.3 | Q118 D122 | Q118-N120 PolarHBondContact O-N 3.44Å; N120-D122 PolarHBondContact O-N 3.05Å |
| 121 | V | 61.1 | Low | 62.2 | Low | 96 Ų | 96 | 138.6 Ų | 138.6 | 58% | 0.582 | 74% | 0.741 | S | S | * | * | | | trans | -87.8 | 102.3 | 167.9 | -164.9 | 0 | 0 | 0 | 0 | 103.8 | R119 I123 | R119-V121 HydrophobicContact CB-CG2 4.28Å; R119-V121 PolarHBondContact O-N 3.15Å; V121-I123 HydrophobicContact CB-CG1 4.19Å; V121-I123 HydrophobicContact CG1-CG1 3.9Å; V121-I123 PolarHBondContact O-N 3.04Å |
| 122 | D | 72 | Confident | 62 | Low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | | | trans | -63.5 | 89.1 | 164.8 | -74.5 | -35.4 | 0 | 0 | 0 | 107.1 | N120 K124 | N120-D122 PolarHBondContact O-N 3.05Å; D122-K124 PolarHBondContact O-N 3.35Å; D122-K124 VanDerWaalsContact O-N 3.14Å |
| 123 | I | 70.3 | Confident | 62.3 | Low | 124 Ų | 124 | 137.4 Ų | 137.4 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | | | trans | -78.3 | 98.4 | 170.8 | -56.6 | 175.8 | 0 | 0 | 0 | 105.2 | V121 I125 | V121-I123 HydrophobicContact CB-CG1 4.19Å; V121-I123 HydrophobicContact CG1-CG1 3.9Å; V121-I123 PolarHBondContact O-N 3.04Å; I123-I125 VanDerWaalsContact C-N 3.26Å; I123-I125 HydrophobicContact CB-CG1 4.36Å; I123-I125 HydrophobicContact CG2-CG1 3.62Å; I123-I125 PolarHBondContact O-N 3.13Å |
| 124 | K | 73.2 | Confident | 62.4 | Low | 186 Ų | 186 | 132.2 Ų | 132.2 | 81% | 0.809 | 72% | 0.72 | S | S | * | * | | | trans | -60 | 96.6 | 157.1 | -93.4 | -170.6 | 169.1 | -160.6 | 0 | 107.2 | D122 D126 | D122-K124 PolarHBondContact O-N 3.35Å; D122-K124 VanDerWaalsContact O-N 3.14Å; K124-D126 PolarHBondContact O-N 3.37Å |
| 125 | I | 69.2 | Low | 62.8 | Low | 134 Ų | 134 | 131.3 Ų | 131.3 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | | | trans | -82.3 | 95.1 | 167.4 | -55.6 | 172.6 | 0 | 0 | 0 | 105.4 | I123 R127 | I123-I125 VanDerWaalsContact C-N 3.26Å; I123-I125 HydrophobicContact CB-CG1 4.36Å; I123-I125 HydrophobicContact CG2-CG1 3.62Å; I123-I125 PolarHBondContact O-N 3.13Å; I125-R127 PolarHBondContact O-N 3.3Å |
| 126 | D | 67.9 | Low | 62.8 | Low | 132 Ų | 132 | 132.1 Ų | 132.1 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | | | trans | -62.3 | 109.9 | 162.4 | -71.1 | -34.6 | 0 | 0 | 0 | 106.8 | K124 T128 | K124-D126 PolarHBondContact O-N 3.37Å; D126-T128 PolarHBondContact O-N 2.81Å |
| 127 | R | 63 | Low | 62.7 | Low | 240 Ų | 240 | 134.2 Ų | 134.2 | 91% | 0.906 | 70% | 0.7 | S | S | * | * | | | trans | -64.1 | 89 | 171.7 | -83.3 | -175.6 | -173.7 | 163.1 | 2 | 108.2 | I125 S129 | I125-R127 PolarHBondContact O-N 3.3Å; R127-S129 PolarHBondContact O-N 3.36Å |
| 128 | T | 59.9 | Low | 62.6 | Low | 127 Ų | 127 | 136.1 Ų | 136.1 | 78% | 0.779 | 70% | 0.702 | S | S | * | * | | | trans | -78.1 | 102.8 | 154.1 | 55.5 | 0 | 0 | 0 | 0 | 107 | D126 N130 | D126-T128 PolarHBondContact O-N 2.81Å; T128-N130 VanDerWaalsContact C-N 3.35Å; T128-N130 PolarHBondContact O-N 2.91Å |
| 129 | S | 56.9 | Low | 62.2 | Low | 120 Ų | 120 | 133.9 Ų | 133.9 | 84% | 0.839 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -62.7 | 83.7 | 177.8 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | R127 | R127-S129 PolarHBondContact O-N 3.36Š|
| 130 | N | 57.8 | Low | 61.8 | Low | 138 Ų | 138 | 133.7 Ų | 133.7 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | | | trans | -157 | 42.3 | 162.7 | -157.9 | -3.8 | 0 | 0 | 0 | 112.6 | T128 | T128-N130 VanDerWaalsContact C-N 3.35Å; T128-N130 PolarHBondContact O-N 2.91Å |
| 131 | M | 58.6 | Low | 61.6 | Low | 152 Ų | 152 | 134.5 Ų | 134.5 | 75% | 0.749 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -120.6 | -3.5 | 171.4 | -81.2 | -161.9 | 62 | 0 | 0 | 113.5 | T135 | M131-T135 PolarHBondContact O-OG1 3.21Š|
| 132 | E | 54.4 | Low | 62.1 | Low | 133 Ų | 133 | 135.5 Ų | 135.5 | 62% | 0.621 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -91 | -21.4 | -173.6 | -166 | 166 | 175.8 | 0 | 0 | 113.3 | T135 Q136 | E132-T135 PolarHBondContact O-OG1 2.91Å; E132-Q136 HydrophobicContact CG-CG 4.43Å; E132-Q136 VanDerWaalsContact CG-NE2 3.35Å; E132-Q136 WeakPolarHBondContact O-CG 3.4Å; E132-Q136 PolarHBondContact O-N 3.03Å; E132-Q136 PolarHBondContact OE1-NE2 3.39Å; E132-Q136 VanDerWaalsContact OE1-NE2 3.13Å |
| 133 | A | 55.6 | Low | 62.1 | Low | 71 Ų | 71 | 135.5 Ų | 135.5 | 59% | 0.587 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -71 | -36.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | E137 | A133-E137 PolarHBondContact O-N 3.46Å |
| 134 | A | 57 | Low | 62.3 | Low | 69 Ų | 69 | 137.9 Ų | 137.9 | 57% | 0.57 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -77.5 | -22.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 135 | T | 57 | Low | 62.5 | Low | 83 Ų | 83 | 135.6 Ų | 135.6 | 51% | 0.509 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -91.9 | -23.8 | 180 | 52.7 | 0 | 0 | 0 | 0 | 113 | M131 E132 T139 | M131-T135 PolarHBondContact O-OG1 3.21Å; E132-T135 PolarHBondContact O-OG1 2.91Å; T135-T139 PolarHBondContact O-OG1 3.4Å |
| 136 | Q | 58.4 | Low | 62.6 | Low | 117 Ų | 117 | 136.5 Ų | 136.5 | 55% | 0.547 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -81.7 | -26.8 | 174.2 | -69 | -168.8 | 39.4 | 0 | 0 | 113.7 | E132 L138 T139 | E132-Q136 HydrophobicContact CG-CG 4.43Å; E132-Q136 VanDerWaalsContact CG-NE2 3.35Å; E132-Q136 WeakPolarHBondContact O-CG 3.4Å; E132-Q136 PolarHBondContact O-N 3.03Å; E132-Q136 PolarHBondContact OE1-NE2 3.39Å; E132-Q136 VanDerWaalsContact OE1-NE2 3.13Å; Q136-L138 VanDerWaalsContact C-N 3.27Å; Q136-L138 PolarHBondContact O-N 3.4Å; Q136-T139 PolarHBondContact O-N 3.39Å; Q136-T139 PolarHBondContact O-OG1 3.49Å |
| 137 | E | 57.4 | Low | 62.7 | Low | 148 Ų | 148 | 138 Ų | 138 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -69.4 | -25.2 | 176.4 | -114 | -158.3 | 164.2 | 0 | 0 | 113.3 | A133 T139 | A133-E137 PolarHBondContact O-N 3.46Å; E137-T139 VanDerWaalsContact C-N 3.32Å; E137-T139 PolarHBondContact O-N 3.42Å |
| 138 | L | 58.4 | Low | 62.1 | Low | 135 Ų | 135 | 130.1 Ų | 130.1 | 71% | 0.707 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -80.6 | -11.4 | -179.3 | -64.9 | 175.8 | 0 | 0 | 0 | 113.3 | Q136 | Q136-L138 VanDerWaalsContact C-N 3.27Å; Q136-L138 PolarHBondContact O-N 3.4Å |
| 139 | T | 60.1 | Low | 62 | Low | 113 Ų | 113 | 127.1 Ų | 127.1 | 69% | 0.693 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -91.3 | -7.3 | -175.2 | -9.2 | 0 | 0 | 0 | 0 | 114.3 | T135 Q136 E137 | T135-T139 PolarHBondContact O-OG1 3.4Å; Q136-T139 PolarHBondContact O-N 3.39Å; Q136-T139 PolarHBondContact O-OG1 3.49Å; E137-T139 VanDerWaalsContact C-N 3.32Å; E137-T139 PolarHBondContact O-N 3.42Å |
| 140 | K | 61.3 | Low | 62.1 | Low | 191 Ų | 191 | 130.8 Ų | 130.8 | 83% | 0.83 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -105.1 | -2.6 | 178 | -77.7 | -176.9 | 179.2 | 176.2 | 0 | 115.2 | V142 | K140-V142 VanDerWaalsContact C-N 3.35Å; K140-V142 PolarHBondContact O-N 3.32Å; K140-V142 VanDerWaalsContact O-N 3.09Å |
| 141 | K | 64.2 | Low | 61.7 | Low | 160 Ų | 160 | 130.9 Ų | 130.9 | 70% | 0.696 | 71% | 0.71 | S | S | * | * | | | trans | -85.4 | 78.9 | 173.7 | -65.4 | -173.7 | -176.8 | 178.1 | 0 | 109.9 | L143 | K141-L143 PolarHBondContact O-N 3.2Å; K141-L143 VanDerWaalsContact O-N 3.08Å |
| 142 | V | 71.2 | Confident | 61.7 | Low | 117 Ų | 117 | 132 Ų | 132 | 71% | 0.709 | 72% | 0.718 | S | S | * | * | | | trans | -64.4 | 106.4 | 160.9 | 171.4 | 0 | 0 | 0 | 0 | 107 | K140 K144 | K140-V142 VanDerWaalsContact C-N 3.35Å; K140-V142 PolarHBondContact O-N 3.32Å; K140-V142 VanDerWaalsContact O-N 3.09Å; V142-K144 HydrophobicContact CG1-CG 4.09Å; V142-K144 PolarHBondContact O-N 2.9Å |
| 143 | L | 73 | Confident | 61.7 | Low | 155 Ų | 155 | 131.7 Ų | 131.7 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | | | trans | -66.6 | 97.5 | 167.6 | -78 | 159.2 | 0 | 0 | 0 | 107.8 | K141 L145 | K141-L143 PolarHBondContact O-N 3.2Å; K141-L143 VanDerWaalsContact O-N 3.08Å; L143-L145 PolarHBondContact O-N 3.35Å |
| 144 | K | 74.4 | Confident | 61.6 | Low | 174 Ų | 174 | 135.2 Ų | 135.2 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | | | trans | -76.3 | 102.7 | 167.7 | -71 | -172.6 | 171.5 | -172.6 | 0 | 108 | V142 D146 | V142-K144 HydrophobicContact CG1-CG 4.09Å; V142-K144 PolarHBondContact O-N 2.9Å; K144-D146 PolarHBondContact O-N 3.43Å |
| 145 | L | 76.8 | Confident | 61.2 | Low | 139 Ų | 139 | 141.1 Ų | 141.1 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | | | trans | -84.2 | 94.4 | 165.1 | -59.1 | 177 | 0 | 0 | 0 | 106.8 | L143 L147 | L143-L145 PolarHBondContact O-N 3.35Å; L145-L147 HydrophobicContact CB-CD1 3.84Å; L145-L147 PolarHBondContact O-N 3.22Å |
| 146 | D | 72.1 | Confident | 61.1 | Low | 152 Ų | 152 | 142.5 Ų | 142.5 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | | | trans | -75.1 | 104.1 | 169.4 | -86.8 | -26.9 | 0 | 0 | 0 | 108.6 | K144 G148 | K144-D146 PolarHBondContact O-N 3.43Å; D146-G148 VanDerWaalsContact C-N 3.28Å |
| 147 | L | 69.2 | Low | 61.1 | Low | 165 Ų | 165 | 145.8 Ų | 145.8 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | trans | -92.8 | 25.4 | 170.2 | -79.2 | 94.3 | 0 | 0 | 0 | 112.2 | L145 | L145-L147 HydrophobicContact CB-CD1 3.84Å; L145-L147 PolarHBondContact O-N 3.22Å |
| 148 | G | 50.6 | Low | 60.9 | Low | 74 Ų | 74 | 147.4 Ų | 147.4 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | | | trans | -110.8 | 103.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D146 | D146-G148 VanDerWaalsContact C-N 3.28Š|
| 149 | G | 57.1 | Low | 60.7 | Low | 63 Ų | 63 | 146 Ų | 146 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | | | trans | 150.7 | 133.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 150 | K | 58.8 | Low | 60.7 | Low | 198 Ų | 198 | 146.2 Ų | 146.2 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | | | trans | 72.3 | 91.2 | 153.6 | 40.1 | -173.2 | 172.6 | -168.8 | 0 | 117.8 | | |
| 151 | N | 49.9 | Very low | 60.5 | Low | 140 Ų | 140 | 146.8 Ų | 146.8 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | | | | 22.9 | 102.1 | 122.9 | -93.3 | -60.5 | 0 | 0 | 0 | 115 | | |
| 152 | L | 58.9 | Low | 60.2 | Low | 175 Ų | 175 | 142.6 Ų | 142.6 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | | | trans | -121 | 94.1 | 150.9 | -90.1 | 161.8 | 0 | 0 | 0 | 106.1 | | |
| 153 | D | 54.1 | Low | 59.4 | Low | 126 Ų | 126 | 143.4 Ų | 143.4 | 67% | 0.674 | 78% | 0.777 | S | S | * | * | | | trans | -46.5 | 137.6 | 170.5 | -57.5 | -60.5 | 0 | 0 | 0 | 110.9 | | |
| 154 | E | 53.2 | Low | 58.4 | Low | 145 Ų | 145 | 142.5 Ų | 142.5 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 29.2 | 126.2 | 136.1 | -129.4 | 174 | 164.8 | 0 | 0 | 118.5 | | |
| 155 | Y | 49.9 | Very low | 57.2 | Low | 194 Ų | 194 | 138.9 Ų | 138.9 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | | | trans | 84.7 | 72.4 | 166.3 | -50.5 | -76.9 | 0 | 0 | 0 | 118.8 | | |
| 156 | S | 54.9 | Low | 56.1 | Low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | trans | -157.2 | 62.8 | 134.4 | -89.8 | 0 | 0 | 0 | 0 | 112.1 | K158 | S156-K158 PolarHBondContact O-N 3.21Š|
| 157 | L | 57.2 | Low | 55 | Low | 186 Ų | 186 | 140.2 Ų | 140.2 | 97% | 0.974 | 77% | 0.773 | S | S | * | * | | | trans | -73 | 42.5 | 167.4 | -63.8 | 175.4 | 0 | 0 | 0 | 112.4 | | |
| 158 | K | 53.3 | Low | 54.4 | Low | 183 Ų | 183 | 138.6 Ų | 138.6 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | | | trans | -99.4 | 94.7 | 164.3 | -69.8 | 171.1 | -172.2 | -112 | 0 | 105.7 | S156 | S156-K158 PolarHBondContact O-N 3.21Š|
| 159 | S | 54.7 | Low | 54.6 | Low | 104 Ų | 104 | 140 Ų | 140 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -39.2 | 125.9 | 170.8 | -174 | 0 | 0 | 0 | 0 | 109.1 | K161 | S159-K161 PolarHBondContact O-N 3.43Š|
| 160 | P | 59.2 | Low | 54.4 | Low | 118 Ų | 118 | 145.1 Ų | 145.1 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | | | trans | -53.8 | 115.6 | 177.9 | 21.2 | -29.7 | 0 | 0 | 0 | 106.6 | S162 | P160-S162 PolarHBondContact O-N 3.07Š|
| 161 | K | 57.4 | Low | 54.1 | Low | 203 Ų | 203 | 142.9 Ų | 142.9 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | | | trans | -54.1 | 107.9 | 179.9 | -148.5 | 142.8 | 179.4 | 164.7 | 0 | 105.5 | S159 | S159-K161 PolarHBondContact O-N 3.43Š|
| 162 | S | 58.4 | Low | 54.6 | Low | 72 Ų | 72 | 141.4 Ų | 141.4 | 50% | 0.503 | 76% | 0.756 | S | S | . | * | | | trans | -44 | 129.3 | 178.6 | 50.6 | 0 | 0 | 0 | 0 | 109.1 | P160 I164 | P160-S162 PolarHBondContact O-N 3.07Å; S162-I164 PolarHBondContact O-N 2.96Å |
| 163 | P | 55.3 | Low | 54.1 | Low | 134 Ų | 134 | 137.2 Ų | 137.2 | 87% | 0.87 | 74% | 0.741 | S | S | * | * | | | trans | -72.8 | 69.5 | 170.6 | 31.2 | -31.5 | 0 | 0 | 0 | 108.3 | | |
| 164 | I | 50.5 | Low | 54.2 | Low | 136 Ų | 136 | 136.8 Ų | 136.8 | 70% | 0.697 | 74% | 0.737 | S | S | * | * | | | trans | -104.5 | 66.3 | 167.9 | -61.4 | 170.4 | 0 | 0 | 0 | 104.8 | S162 | S162-I164 PolarHBondContact O-N 2.96Š|
| 165 | A | 50.5 | Low | 54.1 | Low | 98 Ų | 98 | 135.5 Ų | 135.5 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -167.7 | 39.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 166 | A | 53.6 | Low | 54.2 | Low | 68 Ų | 68 | 129.2 Ų | 129.2 | 56% | 0.562 | 72% | 0.724 | S | S | * | * | | | trans | -159.4 | 126.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | L168 | A166-L168 HydrophobicContact CB-CD1 3.7Å; A166-L168 PolarHBondContact O-N 3.28Å |
| 167 | R | 48.7 | Very low | 54.1 | Low | 251 Ų | 251 | 130.2 Ų | 130.2 | 95% | 0.947 | 73% | 0.731 | S | S | * | * | | | trans | -61 | 81.2 | 152.5 | -61.5 | 163.9 | 88.5 | 121.8 | -1.6 | 104.8 | P169 | R167-P169 WeakPolarHBondContact O-CD 3.37Š|
| 168 | L | 56.5 | Low | 54.2 | Low | 132 Ų | 132 | 123.8 Ų | 123.8 | 69% | 0.691 | 70% | 0.699 | S | S | * | * | | | trans | -66.9 | 110.1 | 165.5 | -116.1 | 82.7 | 0 | 0 | 0 | 103.4 | A166 H170 | A166-L168 HydrophobicContact CB-CD1 3.7Å; A166-L168 PolarHBondContact O-N 3.28Å; L168-H170 PolarHBondContact O-N 3.28Å |
| 169 | P | 54.3 | Low | 54.9 | Low | 102 Ų | 102 | 119.7 Ų | 119.7 | 66% | 0.662 | 69% | 0.686 | S | S | * | * | | | trans | -52.5 | 139 | 155.4 | 27.6 | -32.4 | 0 | 0 | 0 | 105 | R167 Q171 | R167-P169 WeakPolarHBondContact O-CD 3.37Å; P169-Q171 PolarHBondContact O-N 3.41Å |
| 170 | H | 53.9 | Low | 55.8 | Low | 171 Ų | 171 | 119.4 Ų | 119.4 | 79% | 0.792 | 68% | 0.68 | S | S | * | * | | | trans | -52.7 | 87.9 | 176.8 | -64.8 | -74.6 | 0 | 0 | 0 | 109.8 | L168 T172 | L168-H170 PolarHBondContact O-N 3.28Å; H170-T172 PolarHBondContact O-N 2.99Å |
| 171 | Q | 52.3 | Low | 56.6 | Low | 151 Ų | 151 | 119 Ų | 119 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | | | trans | -83.6 | 60.7 | 168.9 | -110 | -135.9 | 76.6 | 0 | 0 | 105.7 | P169 S173 | P169-Q171 PolarHBondContact O-N 3.41Å; Q171-S173 PolarHBondContact O-N 3.47Å; Q171-S173 VanDerWaalsContact O-N 3.13Å |
| 172 | T | 59.2 | Low | 57.9 | Low | 110 Ų | 110 | 113.8 Ų | 113.8 | 68% | 0.675 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -77.9 | 85.4 | 156.9 | 54.1 | 0 | 0 | 0 | 0 | 105.2 | H170 I174 | H170-T172 PolarHBondContact O-N 2.99Å; T172-I174 PolarHBondContact O-N 3.2Å; T172-I174 VanDerWaalsContact O-N 3.11Å |
| 173 | S | 49.5 | Very low | 58.9 | Low | 87 Ų | 87 | 114.7 Ų | 114.7 | 61% | 0.608 | 64% | 0.642 | S | S | * | * | | | trans | 27.3 | 73 | 162.9 | -52.4 | 0 | 0 | 0 | 0 | 115.8 | Q171 T175 | Q171-S173 PolarHBondContact O-N 3.47Å; Q171-S173 VanDerWaalsContact O-N 3.13Å; S173-T175 PolarHBondContact O-N 2.78Å |
| 174 | I | 55.4 | Low | 60.4 | Low | 116 Ų | 116 | 114 Ų | 114 | 60% | 0.595 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 31.5 | 164.8 | -47.9 | 178.3 | 0 | 0 | 0 | 109.2 | T172 | T172-I174 PolarHBondContact O-N 3.2Å; T172-I174 VanDerWaalsContact O-N 3.11Å |
| 175 | T | 52 | Low | 62.3 | Low | 118 Ų | 118 | 111.7 Ų | 111.7 | 72% | 0.724 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 2 | -177.3 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | S173 | S173-T175 PolarHBondContact O-N 2.78Š|
| 176 | S | 51.3 | Low | 64.2 | Low | 63 Ų | 63 | 112 Ų | 112 | 44% | 0.441 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -82.2 | 127.4 | 162.2 | 57.6 | 0 | 0 | 0 | 0 | 108.7 | V178 | S176-V178 PolarHBondContact O-N 3.3Å; S176-V178 VanDerWaalsContact OG-CG2 3.23Å; S176-V178 WeakPolarHBondContact OG-CG2 3.46Å |
| 177 | S | 52.6 | Low | 66 | Low | 131 Ų | 131 | 115 Ų | 115 | 92% | 0.916 | 60% | 0.602 | S | S | * | * | | | trans | -59.2 | 83.6 | 165.5 | 52.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 178 | V | 58.9 | Low | 67.9 | Low | 51 Ų | 51 | 108 Ų | 108 | 31% | 0.309 | 58% | 0.58 | S | S | . | * | | | trans | -124.2 | 118.4 | 179.9 | 175.9 | 0 | 0 | 0 | 0 | 105.4 | S176 D182 R183 | S176-V178 PolarHBondContact O-N 3.3Å; S176-V178 VanDerWaalsContact OG-CG2 3.23Å; S176-V178 WeakPolarHBondContact OG-CG2 3.46Å; V178-D182 HydrophobicContact CG1-CB 3.33Å; V178-R183 HydrophobicContact CG1-CG 4.14Å; V178-R183 PolarHBondContact O-NE 3.33Å; V178-R183 VanDerWaalsContact O-NE 3.14Å |
| 179 | D | 67.9 | Low | 69.6 | Low | 98 Ų | 98 | 104.4 Ų | 104.4 | 52% | 0.524 | 57% | 0.569 | S | S | . | * | | | trans | -46.4 | 146.8 | -176.1 | -153.2 | 12 | 0 | 0 | 0 | 110.8 | E181 D182 R183 | D179-E181 HydrophobicContact CB-CB 4.47Å; D179-E181 PolarHBondContact O-N 3.46Å; D179-E181 VanDerWaalsContact O-N 3.13Å; D179-D182 HydrophobicContact CB-CB 4.32Å; D179-D182 PolarHBondContact O-N 3.45Å; D179-D182 VanDerWaalsContact O-N 3.08Å; D179-R183 PolarHBondContact O-N 2.88Å; D179-R183 VanDerWaalsContact O-N 3.11Å |
| 180 | V | 74.4 | Confident | 71.5 | Confident | 98 Ų | 98 | 103.9 Ų | 103.9 | 59% | 0.594 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -58.4 | -31.9 | -178.5 | 174.9 | 0 | 0 | 0 | 0 | 110 | R183 K184 | V180-R183 PolarHBondContact O-N 2.87Å; V180-K184 PolarHBondContact O-N 3.49Å; V180-K184 VanDerWaalsContact O-N 3.07Å |
| 181 | E | 75 | Confident | 73.3 | Confident | 108 Ų | 108 | 102.5 Ų | 102.5 | 51% | 0.505 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.8 | -51.4 | 175.1 | -72.1 | 58.7 | -135.8 | 0 | 0 | 111.4 | D179 R183 K184 T185 | D179-E181 HydrophobicContact CB-CB 4.47Å; D179-E181 PolarHBondContact O-N 3.46Å; D179-E181 VanDerWaalsContact O-N 3.13Å; E181-R183 VanDerWaalsContact C-N 3.28Å; E181-R183 PolarHBondContact O-N 3.41Å; E181-K184 WeakPolarHBondContact O-CA 3.39Å; E181-K184 WeakPolarHBondContact O-CB 3.4Å; E181-K184 PolarHBondContact O-N 2.91Å; E181-T185 PolarHBondContact O-N 2.9Å; E181-T185 PolarHBondContact O-OG1 3.38Å |
| 182 | D | 86 | Confident | 75.3 | Confident | 95 Ų | 95 | 102.4 Ų | 102.4 | 51% | 0.508 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 177.5 | -78.3 | -13.9 | 0 | 0 | 0 | 111.7 | V178 D179 K184 L186 | V178-D182 HydrophobicContact CG1-CB 3.33Å; D179-D182 HydrophobicContact CB-CB 4.32Å; D179-D182 PolarHBondContact O-N 3.45Å; D179-D182 VanDerWaalsContact O-N 3.08Å; D182-K184 VanDerWaalsContact C-N 3.32Å; D182-K184 PolarHBondContact O-N 3.5Å; D182-L186 WeakPolarHBondContact O-CB 3.35Å; D182-L186 PolarHBondContact O-N 3.25Å |
| 183 | R | 79 | Confident | 76.9 | Confident | 90 Ų | 90 | 98.7 Ų | 98.7 | 34% | 0.34 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.6 | -36.9 | 174.7 | -64.7 | 179.6 | -172.1 | -172.4 | -4.8 | 111.6 | V178 D179 V180 E181 R187 | V178-R183 HydrophobicContact CG1-CG 4.14Å; V178-R183 PolarHBondContact O-NE 3.33Å; V178-R183 VanDerWaalsContact O-NE 3.14Å; D179-R183 PolarHBondContact O-N 2.88Å; D179-R183 VanDerWaalsContact O-N 3.11Å; V180-R183 PolarHBondContact O-N 2.87Å; E181-R183 VanDerWaalsContact C-N 3.28Å; E181-R183 PolarHBondContact O-N 3.41Å; R183-R187 WeakPolarHBondContact O-CG 3.15Å; R183-R187 PolarHBondContact O-N 2.82Å; R183-R187 VanDerWaalsContact O-N 3.16Å; R183-R187 PolarHBondContact O-NE 2.78Å |
| 184 | K | 87.3 | Confident | 78.9 | Confident | 120 Ų | 120 | 99.6 Ų | 99.6 | 52% | 0.522 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.2 | -49.2 | 176.5 | -175.6 | -177.7 | 171.2 | -173.8 | 0 | 111.2 | V180 E181 D182 L186 R187 E188 | V180-K184 PolarHBondContact O-N 3.49Å; V180-K184 VanDerWaalsContact O-N 3.07Å; E181-K184 WeakPolarHBondContact O-CA 3.39Å; E181-K184 WeakPolarHBondContact O-CB 3.4Å; E181-K184 PolarHBondContact O-N 2.91Å; D182-K184 VanDerWaalsContact C-N 3.32Å; D182-K184 PolarHBondContact O-N 3.5Å; K184-L186 VanDerWaalsContact C-N 3.32Å; K184-L186 PolarHBondContact O-N 3.49Å; K184-R187 WeakPolarHBondContact O-CB 3.16Å; K184-R187 PolarHBondContact O-N 3.34Å; K184-R187 VanDerWaalsContact O-N 3.08Å; K184-E188 WeakPolarHBondContact CE-OE1 3.47Å; K184-E188 WeakPolarHBondContact O-CG 3.26Å; K184-E188 PolarHBondContact O-N 2.91Å |
| 185 | T | 89.2 | Confident | 80.6 | Confident | 87 Ų | 87 | 100.5 Ų | 100.5 | 53% | 0.534 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 178.2 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | E181 R187 E188 A189 | E181-T185 PolarHBondContact O-N 2.9Å; E181-T185 PolarHBondContact O-OG1 3.38Å; T185-R187 PolarHBondContact O-N 2.9Å; T185-E188 PolarHBondContact O-N 3.4Å; T185-A189 VanDerWaalsContact O-CB 3.31Å; T185-A189 WeakPolarHBondContact O-CB 3.04Å; T185-A189 PolarHBondContact O-N 2.8Å |
| 186 | L | 91.9 | Very high | 82.6 | Confident | 106 Ų | 106 | 99.3 Ų | 99.3 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.1 | -44.1 | 173.7 | 178.7 | 62.5 | 0 | 0 | 0 | 111.5 | D182 K184 A189 L190 | D182-L186 WeakPolarHBondContact O-CB 3.35Å; D182-L186 PolarHBondContact O-N 3.25Å; K184-L186 VanDerWaalsContact C-N 3.32Å; K184-L186 PolarHBondContact O-N 3.49Å; L186-A189 PolarHBondContact O-N 3.25Å; L186-L190 HydrophobicContact CD1-CD1 4.13Å; L186-L190 HydrophobicContact CD1-CG 4.18Å; L186-L190 HydrophobicContact CG-CD1 3.97Å; L186-L190 HydrophobicContact CG-CG 4.44Å; L186-L190 VanDerWaalsContact O-CB 3.3Å; L186-L190 WeakPolarHBondContact O-CB 3.49Å; L186-L190 WeakPolarHBondContact O-CG 3.38Å; L186-L190 PolarHBondContact O-N 3.4Å |
| 187 | R | 89.8 | Confident | 84.6 | Confident | 131 Ų | 131 | 105.2 Ų | 105.2 | 49% | 0.494 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 176 | -79.1 | -175.1 | -68.4 | -128 | 0.1 | 111.7 | R183 K184 T185 L190 Y191 | R183-R187 WeakPolarHBondContact O-CG 3.15Å; R183-R187 PolarHBondContact O-N 2.82Å; R183-R187 VanDerWaalsContact O-N 3.16Å; R183-R187 PolarHBondContact O-NE 2.78Å; K184-R187 WeakPolarHBondContact O-CB 3.16Å; K184-R187 PolarHBondContact O-N 3.34Å; K184-R187 VanDerWaalsContact O-N 3.08Å; T185-R187 PolarHBondContact O-N 2.9Å; R187-L190 PolarHBondContact O-N 3.23Å; R187-Y191 WeakPolarHBondContact O-CD2 3.41Å; R187-Y191 PolarHBondContact O-N 3.27Å |
| 188 | E | 90.4 | Very high | 86.7 | Confident | 102 Ų | 102 | 103.9 Ų | 103.9 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 178.4 | -71.4 | 178.3 | -172.5 | 0 | 0 | 112 | K184 T185 L190 Y191 Q192 | K184-E188 WeakPolarHBondContact CE-OE1 3.47Å; K184-E188 WeakPolarHBondContact O-CG 3.26Å; K184-E188 PolarHBondContact O-N 2.91Å; T185-E188 PolarHBondContact O-N 3.4Å; E188-L190 VanDerWaalsContact C-N 3.33Å; E188-L190 PolarHBondContact O-N 3.46Å; E188-Y191 PolarHBondContact O-N 3.19Å; E188-Q192 WeakPolarHBondContact O-CB 3.08Å; E188-Q192 PolarHBondContact O-N 2.89Å |
| 189 | A | 91.1 | Very high | 88.3 | Confident | 57 Ų | 57 | 109.3 Ų | 109.3 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T185 L186 G193 | T185-A189 VanDerWaalsContact O-CB 3.31Å; T185-A189 WeakPolarHBondContact O-CB 3.04Å; T185-A189 PolarHBondContact O-N 2.8Å; L186-A189 PolarHBondContact O-N 3.25Å; A189-G193 PolarHBondContact O-N 3.37Å |
| 190 | L | 93.3 | Very high | 89.5 | Confident | 92 Ų | 92 | 112.1 Ų | 112.1 | 48% | 0.482 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -47.9 | 174.6 | -75.3 | 171.1 | 0 | 0 | 0 | 111.5 | L186 R187 E188 Q192 G193 I194 | L186-L190 HydrophobicContact CD1-CD1 4.13Å; L186-L190 HydrophobicContact CD1-CG 4.18Å; L186-L190 HydrophobicContact CG-CD1 3.97Å; L186-L190 HydrophobicContact CG-CG 4.44Å; L186-L190 VanDerWaalsContact O-CB 3.3Å; L186-L190 WeakPolarHBondContact O-CB 3.49Å; L186-L190 WeakPolarHBondContact O-CG 3.38Å; L186-L190 PolarHBondContact O-N 3.4Å; R187-L190 PolarHBondContact O-N 3.23Å; E188-L190 VanDerWaalsContact C-N 3.33Å; E188-L190 PolarHBondContact O-N 3.46Å; L190-Q192 VanDerWaalsContact C-N 3.33Å; L190-Q192 PolarHBondContact O-N 2.87Å; L190-G193 PolarHBondContact O-N 2.95Å; L190-I194 WeakPolarHBondContact O-CB 3.21Å; L190-I194 VanDerWaalsContact O-CG1 3.25Å; L190-I194 WeakPolarHBondContact O-CG1 3.4Å; L190-I194 PolarHBondContact O-N 2.82Å |
| 191 | Y | 93 | Very high | 90.5 | Very high | 142 Ų | 142 | 111.3 Ų | 111.3 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57.6 | -48 | 175.5 | -71.9 | -26.1 | 0 | 0 | 0 | 110.9 | R187 E188 G193 I194 F195 | R187-Y191 WeakPolarHBondContact O-CD2 3.41Å; R187-Y191 PolarHBondContact O-N 3.27Å; E188-Y191 PolarHBondContact O-N 3.19Å; Y191-G193 VanDerWaalsContact C-N 3.34Å; Y191-G193 PolarHBondContact O-N 2.93Å; Y191-I194 PolarHBondContact O-N 2.82Å; Y191-F195 WeakPolarHBondContact O-CB 3.43Å; Y191-F195 WeakPolarHBondContact O-CD2 3.48Å; Y191-F195 PolarHBondContact O-N 3.02Å |
| 192 | Q | 93.2 | Very high | 91.3 | Very high | 149 Ų | 149 | 110.6 Ų | 110.6 | 70% | 0.696 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.1 | -42.8 | 177.7 | -167.5 | 160.5 | 18.1 | 0 | 0 | 112 | E188 L190 H196 | E188-Q192 WeakPolarHBondContact O-CB 3.08Å; E188-Q192 PolarHBondContact O-N 2.89Å; L190-Q192 VanDerWaalsContact C-N 3.33Å; L190-Q192 PolarHBondContact O-N 2.87Å; Q192-H196 WeakPolarHBondContact O-CB 3.35Å; Q192-H196 PolarHBondContact O-N 3.08Å |
| 193 | G | 93.4 | Very high | 91.5 | Very high | 31 Ų | 31 | 112.3 Ų | 112.3 | 32% | 0.32 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A189 L190 Y191 R197 | A189-G193 PolarHBondContact O-N 3.37Å; L190-G193 PolarHBondContact O-N 2.95Å; Y191-G193 VanDerWaalsContact C-N 3.34Å; Y191-G193 PolarHBondContact O-N 2.93Å; G193-R197 VanDerWaalsContact O-CG 3.3Å; G193-R197 WeakPolarHBondContact O-CG 3.4Å; G193-R197 PolarHBondContact O-N 3.19Å |
| 194 | I | 91.6 | Very high | 92.1 | Very high | 106 Ų | 106 | 110.8 Ų | 110.8 | 54% | 0.544 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.1 | -50.2 | 178.8 | -65.6 | 164.2 | 0 | 0 | 0 | 110.2 | L190 Y191 H196 R197 H198 | L190-I194 WeakPolarHBondContact O-CB 3.21Å; L190-I194 VanDerWaalsContact O-CG1 3.25Å; L190-I194 WeakPolarHBondContact O-CG1 3.4Å; L190-I194 PolarHBondContact O-N 2.82Å; Y191-I194 PolarHBondContact O-N 2.82Å; I194-H196 VanDerWaalsContact C-N 3.32Å; I194-H196 PolarHBondContact O-N 2.85Å; I194-R197 PolarHBondContact O-N 2.84Å; I194-H198 WeakPolarHBondContact O-CB 3.3Å; I194-H198 PolarHBondContact O-N 2.91Å |
| 195 | F | 90.7 | Very high | 92.4 | Very high | 135 Ų | 135 | 108.7 Ų | 108.7 | 59% | 0.592 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -36.3 | -179.5 | -75.6 | -62.9 | 0 | 0 | 0 | 112.3 | Y191 H198 R199 | Y191-F195 WeakPolarHBondContact O-CB 3.43Å; Y191-F195 WeakPolarHBondContact O-CD2 3.48Å; Y191-F195 PolarHBondContact O-N 3.02Å; F195-H198 PolarHBondContact O-N 3.44Å; F195-R199 WeakPolarHBondContact O-CB 3.36Å; F195-R199 PolarHBondContact O-N 3.09Å |
| 196 | H | 94.4 | Very high | 92.5 | Very high | 93 Ų | 93 | 106.3 Ų | 106.3 | 43% | 0.431 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 176.1 | -170.9 | 60.8 | 0 | 0 | 0 | 112.3 | Q192 I194 R200 | Q192-H196 WeakPolarHBondContact O-CB 3.35Å; Q192-H196 PolarHBondContact O-N 3.08Å; I194-H196 VanDerWaalsContact C-N 3.32Å; I194-H196 PolarHBondContact O-N 2.85Å; H196-R200 VanDerWaalsContact NE2-CZ 3.26Å; H196-R200 PolarHBondContact NE2-NE 3.22Å; H196-R200 PolarHBondContact NE2-NH2 3.29Å; H196-R200 VanDerWaalsContact O-CG 3.26Å; H196-R200 WeakPolarHBondContact O-CG 3.25Å; H196-R200 PolarHBondContact O-N 2.84Å |
| 197 | R | 94.2 | Very high | 92.3 | Very high | 187 Ų | 187 | 104.9 Ų | 104.9 | 71% | 0.706 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.7 | -46.2 | 173.3 | -68.5 | 175.6 | -162.5 | -115.5 | 4.9 | 110.8 | G193 I194 R199 R200 T201 | G193-R197 VanDerWaalsContact O-CG 3.3Å; G193-R197 WeakPolarHBondContact O-CG 3.4Å; G193-R197 PolarHBondContact O-N 3.19Å; I194-R197 PolarHBondContact O-N 2.84Å; R197-R199 PolarHBondContact O-N 3.48Å; R197-R200 WeakPolarHBondContact O-CB 3.35Å; R197-R200 PolarHBondContact O-N 2.86Å; R197-T201 PolarHBondContact O-N 2.85Å; R197-T201 PolarHBondContact O-OG1 3.31Å |
| 198 | H | 96.7 | Very high | 92.2 | Very high | 104 Ų | 104 | 103.3 Ų | 103.3 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | -179.1 | -171.3 | 60.5 | 0 | 0 | 0 | 112.2 | I194 F195 R200 T201 I202 | I194-H198 WeakPolarHBondContact O-CB 3.3Å; I194-H198 PolarHBondContact O-N 2.91Å; F195-H198 PolarHBondContact O-N 3.44Å; H198-R200 VanDerWaalsContact C-N 3.35Å; H198-R200 PolarHBondContact O-N 3.3Å; H198-T201 PolarHBondContact O-N 2.88Å; H198-I202 VanDerWaalsContact CD2-CD1 3.42Å; H198-I202 WeakPolarHBondContact CD2-CD1 3.35Å; H198-I202 VanDerWaalsContact NE2-CD1 3.25Å; H198-I202 WeakPolarHBondContact NE2-CD1 3.31Å; H198-I202 WeakPolarHBondContact O-CG1 3.11Å; H198-I202 PolarHBondContact O-N 3.38Å |
| 199 | R | 91.1 | Very high | 92.2 | Very high | 164 Ų | 164 | 102.8 Ų | 102.8 | 62% | 0.619 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -56.6 | -48 | 174.3 | -178 | 176.1 | -175.5 | -168.8 | -2.2 | 111.1 | F195 R197 I202 F203 | F195-R199 WeakPolarHBondContact O-CB 3.36Å; F195-R199 PolarHBondContact O-N 3.09Å; R197-R199 PolarHBondContact O-N 3.48Å; R199-I202 PolarHBondContact O-N 3.08Å; R199-F203 HydrophobicContact CG-CD2 3.87Å; R199-F203 HydrophobicContact CG-CE2 3.48Å; R199-F203 VanDerWaalsContact CG-CE2 3.48Å; R199-F203 WeakPolarHBondContact O-CD2 3.25Å; R199-F203 PolarHBondContact O-N 3.44Å; R199-F203 VanDerWaalsContact O-N 3.07Å |
| 200 | R | 93.4 | Very high | 92 | Very high | 158 Ų | 158 | 109.7 Ų | 109.7 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.3 | -45.3 | 176 | -69.9 | 169.9 | 178.3 | -158.5 | -7.2 | 111.7 | H196 R197 H198 F203 A204 | H196-R200 VanDerWaalsContact NE2-CZ 3.26Å; H196-R200 PolarHBondContact NE2-NE 3.22Å; H196-R200 PolarHBondContact NE2-NH2 3.29Å; H196-R200 VanDerWaalsContact O-CG 3.26Å; H196-R200 WeakPolarHBondContact O-CG 3.25Å; H196-R200 PolarHBondContact O-N 2.84Å; R197-R200 WeakPolarHBondContact O-CB 3.35Å; R197-R200 PolarHBondContact O-N 2.86Å; H198-R200 VanDerWaalsContact C-N 3.35Å; H198-R200 PolarHBondContact O-N 3.3Å; R200-F203 PolarHBondContact O-N 2.92Å; R200-A204 PolarHBondContact O-N 3.48Å |
| 201 | T | 95.5 | Very high | 91.5 | Very high | 81 Ų | 81 | 109.6 Ų | 109.6 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 179.1 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | R197 H198 F203 A204 V205 | R197-T201 PolarHBondContact O-N 2.85Å; R197-T201 PolarHBondContact O-OG1 3.31Å; H198-T201 PolarHBondContact O-N 2.88Å; T201-F203 VanDerWaalsContact C-N 3.3Å; T201-F203 PolarHBondContact O-N 2.87Å; T201-A204 PolarHBondContact O-N 3Å; T201-V205 HydrophobicContact CG2-CG2 4.13Å; T201-V205 WeakPolarHBondContact O-CB 3.42Å; T201-V205 VanDerWaalsContact O-CG2 3.25Å; T201-V205 WeakPolarHBondContact O-CG2 3.45Å; T201-V205 PolarHBondContact O-N 2.87Å |
| 202 | I | 91.8 | Very high | 91.1 | Very high | 92 Ų | 92 | 106.6 Ų | 106.6 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 175.2 | -71.2 | 166.5 | 0 | 0 | 0 | 110.5 | H198 R199 G206 | H198-I202 VanDerWaalsContact CD2-CD1 3.42Å; H198-I202 WeakPolarHBondContact CD2-CD1 3.35Å; H198-I202 VanDerWaalsContact NE2-CD1 3.25Å; H198-I202 WeakPolarHBondContact NE2-CD1 3.31Å; H198-I202 WeakPolarHBondContact O-CG1 3.11Å; H198-I202 PolarHBondContact O-N 3.38Å; R199-I202 PolarHBondContact O-N 3.08Å; I202-G206 WeakPolarHBondContact O-CA 3.11Å; I202-G206 PolarHBondContact O-N 3.43Å |
| 203 | F | 89.7 | Confident | 90.5 | Very high | 131 Ų | 131 | 109.9 Ų | 109.9 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -44.5 | 177.8 | -77.2 | -59.2 | 0 | 0 | 0 | 112.5 | R199 R200 T201 G206 S207 | R199-F203 HydrophobicContact CG-CD2 3.87Å; R199-F203 HydrophobicContact CG-CE2 3.48Å; R199-F203 VanDerWaalsContact CG-CE2 3.48Å; R199-F203 WeakPolarHBondContact O-CD2 3.25Å; R199-F203 PolarHBondContact O-N 3.44Å; R199-F203 VanDerWaalsContact O-N 3.07Å; R200-F203 PolarHBondContact O-N 2.92Å; T201-F203 VanDerWaalsContact C-N 3.3Å; T201-F203 PolarHBondContact O-N 2.87Å; F203-G206 PolarHBondContact O-N 2.7Å; F203-S207 WeakPolarHBondContact O-CB 3.47Å; F203-S207 PolarHBondContact O-N 3.04Å; F203-S207 PolarHBondContact O-OG 3.46Å |
| 204 | A | 91.4 | Very high | 89.3 | Confident | 58 Ų | 58 | 112 Ų | 112 | 48% | 0.479 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.4 | -50.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R200 T201 G206 S207 F208 | R200-A204 PolarHBondContact O-N 3.48Å; T201-A204 PolarHBondContact O-N 3Å; A204-G206 PolarHBondContact O-N 3.23Å; A204-S207 PolarHBondContact O-N 3.08Å; A204-S207 PolarHBondContact O-OG 2.89Å; A204-F208 PolarHBondContact O-N 3.4Å |
| 205 | V | 93.8 | Very high | 88 | Confident | 77 Ų | 77 | 111.8 Ų | 111.8 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 178.2 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | T201 S207 F208 L209 | T201-V205 HydrophobicContact CG2-CG2 4.13Å; T201-V205 WeakPolarHBondContact O-CB 3.42Å; T201-V205 VanDerWaalsContact O-CG2 3.25Å; T201-V205 WeakPolarHBondContact O-CG2 3.45Å; T201-V205 PolarHBondContact O-N 2.87Å; V205-S207 PolarHBondContact O-N 3.47Å; V205-F208 WeakPolarHBondContact O-CB 3.41Å; V205-F208 PolarHBondContact O-N 3.02Å; V205-L209 HydrophobicContact CG1-CD1 3.68Å; V205-L209 WeakPolarHBondContact O-CD1 3.49Å; V205-L209 PolarHBondContact O-N 3.13Å |
| 206 | G | 92.7 | Very high | 86.4 | Confident | 37 Ų | 37 | 113 Ų | 113 | 38% | 0.381 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I202 F203 A204 F208 L209 R210 | I202-G206 WeakPolarHBondContact O-CA 3.11Å; I202-G206 PolarHBondContact O-N 3.43Å; F203-G206 PolarHBondContact O-N 2.7Å; A204-G206 PolarHBondContact O-N 3.23Å; G206-F208 VanDerWaalsContact C-N 3.31Å; G206-F208 PolarHBondContact O-N 3.07Å; G206-L209 PolarHBondContact O-N 3.11Å; G206-R210 WeakPolarHBondContact O-CB 3.25Å; G206-R210 PolarHBondContact O-N 3.34Å |
| 207 | S | 88 | Confident | 84.5 | Confident | 75 Ų | 75 | 113.3 Ų | 113.3 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.5 | -36.5 | 174.8 | 72.9 | 0 | 0 | 0 | 0 | 112 | F203 A204 V205 R210 M211 | F203-S207 WeakPolarHBondContact O-CB 3.47Å; F203-S207 PolarHBondContact O-N 3.04Å; F203-S207 PolarHBondContact O-OG 3.46Å; A204-S207 PolarHBondContact O-N 3.08Å; A204-S207 PolarHBondContact O-OG 2.89Å; V205-S207 PolarHBondContact O-N 3.47Å; S207-R210 PolarHBondContact O-N 3.46Å; S207-M211 WeakPolarHBondContact O-CB 3.33Å; S207-M211 PolarHBondContact O-N 2.88Å |
| 208 | F | 86.7 | Confident | 82.8 | Confident | 98 Ų | 98 | 111 Ų | 111 | 43% | 0.43 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.2 | -43.6 | 174.3 | -177.4 | -101 | 0 | 0 | 0 | 112.2 | A204 V205 G206 R210 M211 L212 | A204-F208 PolarHBondContact O-N 3.4Å; V205-F208 WeakPolarHBondContact O-CB 3.41Å; V205-F208 PolarHBondContact O-N 3.02Å; G206-F208 VanDerWaalsContact C-N 3.31Å; G206-F208 PolarHBondContact O-N 3.07Å; F208-R210 PolarHBondContact O-N 3.38Å; F208-M211 HydrophobicContact CD2-CE 3.5Å; F208-M211 VanDerWaalsContact CD2-CE 3.5Å; F208-M211 HydrophobicContact CE2-CE 3.95Å; F208-M211 HydrophobicContact CG-CE 4.44Å; F208-M211 WeakPolarHBondContact O-CB 3.03Å; F208-M211 PolarHBondContact O-N 3.16Å; F208-L212 HydrophobicContact CD1-CD1 3.78Å; F208-L212 HydrophobicContact CD1-CG 4.29Å; F208-L212 HydrophobicContact CE1-CD1 3.33Å; F208-L212 HydrophobicContact CE1-CG 3.99Å; F208-L212 HydrophobicContact CZ-CD1 3.9Å; F208-L212 HydrophobicContact CZ-CD2 4.3Å; F208-L212 HydrophobicContact CZ-CG 4.17Å; F208-L212 WeakPolarHBondContact O-CG 3.05Å; F208-L212 PolarHBondContact O-N 3.02Å |
| 209 | L | 90.4 | Very high | 80.8 | Confident | 92 Ų | 92 | 112.5 Ų | 112.5 | 48% | 0.482 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.9 | -42.8 | 173.9 | -91.4 | 77.4 | 0 | 0 | 0 | 111.6 | V205 G206 M211 L212 R213 | V205-L209 HydrophobicContact CG1-CD1 3.68Å; V205-L209 WeakPolarHBondContact O-CD1 3.49Å; V205-L209 PolarHBondContact O-N 3.13Å; G206-L209 PolarHBondContact O-N 3.11Å; L209-M211 VanDerWaalsContact C-N 3.34Å; L209-L212 PolarHBondContact O-N 2.88Å; L209-R213 WeakPolarHBondContact O-CB 3.39Å; L209-R213 PolarHBondContact O-N 3.38Å |
| 210 | R | 86.7 | Confident | 79.1 | Confident | 201 Ų | 201 | 110.8 Ų | 110.8 | 76% | 0.758 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.4 | -43.2 | 174.8 | -176.1 | 178.9 | -68.4 | 179.5 | -2.1 | 110.9 | G206 S207 F208 R213 S214 | G206-R210 WeakPolarHBondContact O-CB 3.25Å; G206-R210 PolarHBondContact O-N 3.34Å; S207-R210 PolarHBondContact O-N 3.46Å; F208-R210 PolarHBondContact O-N 3.38Å; R210-R213 PolarHBondContact O-N 3.23Å; R210-S214 WeakPolarHBondContact O-CB 3.48Å; R210-S214 PolarHBondContact O-N 3.14Å |
| 211 | M | 82.2 | Confident | 77.2 | Confident | 91 Ų | 91 | 107.6 Ų | 107.6 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.8 | -51.8 | 175.8 | 179.7 | 174.7 | 51.3 | 0 | 0 | 110.1 | S207 F208 L209 R213 S214 R215 | S207-M211 WeakPolarHBondContact O-CB 3.33Å; S207-M211 PolarHBondContact O-N 2.88Å; F208-M211 HydrophobicContact CD2-CE 3.5Å; F208-M211 VanDerWaalsContact CD2-CE 3.5Å; F208-M211 HydrophobicContact CE2-CE 3.95Å; F208-M211 HydrophobicContact CG-CE 4.44Å; F208-M211 WeakPolarHBondContact O-CB 3.03Å; F208-M211 PolarHBondContact O-N 3.16Å; L209-M211 VanDerWaalsContact C-N 3.34Å; M211-R213 VanDerWaalsContact C-N 3.35Å; M211-R213 PolarHBondContact O-N 2.77Å; M211-S214 CarbonylContact O-C 3.42Å; M211-S214 WeakPolarHBondContact O-CA 3.21Å; M211-S214 WeakPolarHBondContact O-CB 3.3Å; M211-S214 PolarHBondContact O-N 2.7Å; M211-R215 HydrophobicContact CG-CG 4.44Å; M211-R215 WeakPolarHBondContact O-CG 3.43Å; M211-R215 PolarHBondContact O-N 3.11Å |
| 212 | L | 85.1 | Confident | 75.1 | Confident | 79 Ų | 79 | 109.8 Ų | 109.8 | 41% | 0.414 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -57.1 | -43.9 | 177 | -72.9 | 177.1 | 0 | 0 | 0 | 113 | F208 L209 S214 R215 | F208-L212 HydrophobicContact CD1-CD1 3.78Å; F208-L212 HydrophobicContact CD1-CG 4.29Å; F208-L212 HydrophobicContact CE1-CD1 3.33Å; F208-L212 HydrophobicContact CE1-CG 3.99Å; F208-L212 HydrophobicContact CZ-CD1 3.9Å; F208-L212 HydrophobicContact CZ-CD2 4.3Å; F208-L212 HydrophobicContact CZ-CG 4.17Å; F208-L212 WeakPolarHBondContact O-CG 3.05Å; F208-L212 PolarHBondContact O-N 3.02Å; L209-L212 PolarHBondContact O-N 2.88Å; L212-S214 VanDerWaalsContact C-N 3.28Å; L212-S214 PolarHBondContact O-N 3.23Å; L212-R215 WeakPolarHBondContact O-CB 3.18Å; L212-R215 PolarHBondContact O-N 3.13Å |
| 213 | R | 81.1 | Confident | 73.5 | Confident | 218 Ų | 218 | 114.9 Ų | 114.9 | 82% | 0.823 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.2 | -33.4 | 175.4 | -169.7 | 178.2 | 177.3 | 103.7 | -0.5 | 111.9 | L209 R210 M211 R215 | L209-R213 WeakPolarHBondContact O-CB 3.39Å; L209-R213 PolarHBondContact O-N 3.38Å; R210-R213 PolarHBondContact O-N 3.23Å; M211-R213 VanDerWaalsContact C-N 3.35Å; M211-R213 PolarHBondContact O-N 2.77Å; R213-R215 VanDerWaalsContact C-N 3.31Å |
| 214 | S | 69.1 | Low | 71.5 | Confident | 75 Ų | 75 | 112.8 Ų | 112.8 | 52% | 0.524 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -76.7 | -14.3 | 176.1 | -168.6 | 0 | 0 | 0 | 0 | 113.2 | R210 M211 L212 N216 S217 | R210-S214 WeakPolarHBondContact O-CB 3.48Å; R210-S214 PolarHBondContact O-N 3.14Å; M211-S214 CarbonylContact O-C 3.42Å; M211-S214 WeakPolarHBondContact O-CA 3.21Å; M211-S214 WeakPolarHBondContact O-CB 3.3Å; M211-S214 PolarHBondContact O-N 2.7Å; L212-S214 VanDerWaalsContact C-N 3.28Å; L212-S214 PolarHBondContact O-N 3.23Å; S214-N216 PolarHBondContact O-N 3.27Å; S214-S217 PolarHBondContact O-N 2.74Å; S214-S217 VanDerWaalsContact O-N 3.15Å |
| 215 | R | 62.6 | Low | 69.5 | Low | 101 Ų | 101 | 115 Ų | 115 | 38% | 0.381 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.3 | 15.7 | -177 | -72.6 | -155.4 | -153.3 | 159.2 | 6.4 | 114.9 | M211 L212 R213 Y219 | M211-R215 HydrophobicContact CG-CG 4.44Å; M211-R215 WeakPolarHBondContact O-CG 3.43Å; M211-R215 PolarHBondContact O-N 3.11Å; L212-R215 WeakPolarHBondContact O-CB 3.18Å; L212-R215 PolarHBondContact O-N 3.13Å; R213-R215 VanDerWaalsContact C-N 3.31Å; R215-Y219 HydrophobicContact CB-CE2 4.01Å; R215-Y219 HydrophobicContact CG-CE2 4.23Å; R215-Y219 WeakPolarHBondContact O-CD2 3.49Å |
| 216 | N | 57.6 | Low | 67.7 | Low | 161 Ų | 161 | 116.7 Ų | 116.7 | 86% | 0.861 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -3.8 | 165.4 | -136 | -85.3 | 0 | 0 | 0 | 113.5 | S214 | S214-N216 PolarHBondContact O-N 3.27Š|
| 217 | S | 54.4 | Low | 65.7 | Low | 99 Ų | 99 | 122.6 Ų | 122.6 | 69% | 0.692 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -104.5 | -4.6 | -168.7 | -171.1 | 0 | 0 | 0 | 0 | 116.6 | S214 | S214-S217 PolarHBondContact O-N 2.74Å; S214-S217 VanDerWaalsContact O-N 3.15Å |
| 218 | Q | 59.5 | Low | 63.8 | Low | 138 Ų | 138 | 122.8 Ų | 122.8 | 65% | 0.645 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -149.8 | 19.5 | -169.3 | -151.6 | 178.6 | -32.3 | 0 | 0 | 115.8 | T221 | Q218-T221 WeakPolarHBondContact CG-OG1 3.23Š|
| 219 | Y | 54.4 | Low | 62.3 | Low | 137 Ų | 137 | 126.1 Ų | 126.1 | 54% | 0.537 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -91.2 | -11.3 | 169.2 | -76.2 | -74 | 0 | 0 | 0 | 113.2 | R215 | R215-Y219 HydrophobicContact CB-CE2 4.01Å; R215-Y219 HydrophobicContact CG-CE2 4.23Å; R215-Y219 WeakPolarHBondContact O-CD2 3.49Å |
| 220 | N | 54.3 | Low | 60.4 | Low | 128 Ų | 128 | 129.5 Ų | 129.5 | 68% | 0.684 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -85.5 | -37.8 | 173.2 | -87.3 | -16.1 | 0 | 0 | 0 | 112.7 | I222 R223 S224 | N220-I222 VanDerWaalsContact C-N 3.28Å; N220-I222 PolarHBondContact O-N 3.34Å; N220-R223 PolarHBondContact O-N 3.45Å; N220-S224 WeakPolarHBondContact O-CB 3.32Å; N220-S224 PolarHBondContact O-N 3.04Å; N220-S224 PolarHBondContact O-OG 2.59Å |
| 221 | T | 53.2 | Low | 59.1 | Low | 91 Ų | 91 | 127.6 Ų | 127.6 | 56% | 0.558 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -17.4 | -173.3 | 22.2 | 0 | 0 | 0 | 0 | 115.6 | Q218 S225 | Q218-T221 WeakPolarHBondContact CG-OG1 3.23Å; T221-S225 PolarHBondContact O-OG 2.75Å |
| 222 | I | 51.4 | Low | 57.6 | Low | 126 Ų | 126 | 131.2 Ų | 131.2 | 65% | 0.646 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -11.8 | 179.9 | 57.2 | 171.6 | 0 | 0 | 0 | 113.9 | N220 | N220-I222 VanDerWaalsContact C-N 3.28Å; N220-I222 PolarHBondContact O-N 3.34Å |
| 223 | R | 58.5 | Low | 56 | Low | 200 Ų | 200 | 135.9 Ų | 135.9 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | -32.9 | 171.1 | -93.8 | -178.2 | 167.3 | 154.4 | -4.5 | 111.9 | N220 S225 S226 | N220-R223 PolarHBondContact O-N 3.45Å; R223-S225 PolarHBondContact O-N 3.44Å; R223-S225 VanDerWaalsContact O-N 3.07Å; R223-S226 PolarHBondContact O-N 3.45Å |
| 224 | S | 47.8 | Very low | 54.3 | Low | 86 Ų | 86 | 134.2 Ų | 134.2 | 60% | 0.601 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 19.6 | -179.3 | -53.6 | 0 | 0 | 0 | 0 | 114.4 | N220 | N220-S224 WeakPolarHBondContact O-CB 3.32Å; N220-S224 PolarHBondContact O-N 3.04Å; N220-S224 PolarHBondContact O-OG 2.59Å |
| 225 | S | 50.7 | Low | 52.9 | Low | 104 Ų | 104 | 136.1 Ų | 136.1 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | 3.3 | 171.1 | -52.3 | 0 | 0 | 0 | 0 | 113.4 | T221 R223 | T221-S225 PolarHBondContact O-OG 2.75Å; R223-S225 PolarHBondContact O-N 3.44Å; R223-S225 VanDerWaalsContact O-N 3.07Å |
| 226 | S | 55.9 | Low | 52.2 | Low | 113 Ų | 113 | 140.2 Ų | 140.2 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.9 | -4.9 | -173.3 | -167 | 0 | 0 | 0 | 0 | 118.5 | R223 | R223-S226 PolarHBondContact O-N 3.45Š|
| 227 | E | 51 | Low | 51.8 | Low | 162 Ų | 162 | 140.9 Ų | 140.9 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | | | trans | -131 | 106.3 | -170.6 | -157 | 121.7 | -156.3 | 0 | 0 | 112 | | |
| 228 | G | 47.9 | Very low | 51.3 | Low | 79 Ų | 79 | 143 Ų | 143 | 81% | 0.814 | 74% | 0.743 | S | S | * | * | | | trans | -81.5 | 127.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 229 | E | 53.9 | Low | 50.3 | Low | 167 Ų | 167 | 142.5 Ų | 142.5 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | | | trans | -150.5 | 131 | 160.2 | -147.6 | 162.3 | -169.6 | 0 | 0 | 109.2 | I231 | E229-I231 PolarHBondContact O-N 2.88Š|
| 230 | D | 50.6 | Low | 50.1 | Low | 164 Ų | 164 | 143.5 Ų | 143.5 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | | | trans | -34.4 | 119.8 | 178.3 | -77.2 | -51.5 | 0 | 0 | 0 | 114.9 | | |
| 231 | I | 60.3 | Low | 49.6 | Very low | 160 Ų | 160 | 146.6 Ų | 146.6 | 82% | 0.821 | 77% | 0.769 | S | S | * | * | | | trans | -137.5 | 76.1 | 158.2 | -23.7 | 173.6 | 0 | 0 | 0 | 108.4 | E229 E233 | E229-I231 PolarHBondContact O-N 2.88Å; I231-E233 PolarHBondContact O-N 2.85Å |
| 232 | D | 50.1 | Low | 49.2 | Very low | 168 Ų | 168 | 150.4 Ų | 150.4 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | | | trans | 23.3 | 71.2 | 136.8 | -136.6 | 7.7 | 0 | 0 | 0 | 117.3 | | |
| 233 | E | 51.9 | Low | 48.8 | Very low | 176 Ų | 176 | 152 Ų | 152 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -156.9 | 94.2 | 156.8 | -140 | 174.6 | -177.7 | 0 | 0 | 113.6 | I231 | I231-E233 PolarHBondContact O-N 2.85Š|
| 234 | Q | 45.4 | Very low | 48.3 | Very low | 184 Ų | 184 | 150.6 Ų | 150.6 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | trans | 60.6 | 140.3 | 152.4 | -67.8 | -158.8 | -16.4 | 0 | 0 | 122.3 | | |
| 235 | P | 40.4 | Very low | 48.2 | Very low | 115 Ų | 115 | 152.8 Ų | 152.8 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | | | trans | -100.8 | 121.5 | -159 | 35 | -22.6 | 0 | 0 | 0 | 111.7 | | |
| 236 | K | 46.5 | Very low | 47.9 | Very low | 187 Ų | 187 | 157.2 Ų | 157.2 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | | | trans | -166.8 | 125.2 | 162 | -110.6 | 163.3 | -167.2 | -178.5 | 0 | 111.1 | | |
| 237 | H | 50.2 | Low | 47.1 | Very low | 175 Ų | 175 | 160.3 Ų | 160.3 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | | | trans | 82.4 | 94.2 | 169.4 | -54.3 | -73.9 | 0 | 0 | 0 | 116.4 | | |
| 238 | H | 43.4 | Very low | 46.7 | Very low | 144 Ų | 144 | 162.2 Ų | 162.2 | 67% | 0.667 | 82% | 0.819 | S | S | * | * | | | | 95 | 100.7 | 85.5 | -160.9 | 50.8 | 0 | 0 | 0 | 111.8 | | |
| 239 | P | 39.3 | Very low | 46.3 | Very low | 126 Ų | 126 | 167.1 Ų | 167.1 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | trans | -95.3 | 115.4 | 170.1 | 33.4 | -23.5 | 0 | 0 | 0 | 109.2 | | |
| 240 | Q | 50.3 | Low | 45.7 | Very low | 158 Ų | 158 | 165.8 Ų | 165.8 | 74% | 0.738 | 82% | 0.819 | S | S | * | * | | | trans | -130.1 | 131.5 | 158.5 | -87.1 | -167.5 | -29.2 | 0 | 0 | 108.7 | | |
| 241 | K | 43.6 | Very low | 45.3 | Very low | 193 Ų | 193 | 164.6 Ų | 164.6 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | | | trans | 78.5 | 85.5 | 159.4 | -105.9 | 174 | 173.2 | -174.9 | 0 | 117.1 | | |
| 242 | L | 44.1 | Very low | 44.7 | Very low | 172 Ų | 172 | 162.4 Ų | 162.4 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | | | trans | -125.6 | 62.9 | 153.6 | -136.5 | 157.3 | 0 | 0 | 0 | 107.5 | | |
| 243 | E | 43.8 | Very low | 44.3 | Very low | 158 Ų | 158 | 157.5 Ų | 157.5 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | | | trans | -141.5 | 131 | 174.2 | -73.2 | -78.4 | 129.1 | 0 | 0 | 104.8 | | |
| 244 | H | 46.1 | Very low | 44.1 | Very low | 172 Ų | 172 | 157.5 Ų | 157.5 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | | | trans | 98.1 | 78.8 | -175.6 | -57.6 | 17.3 | 0 | 0 | 0 | 115.2 | | |
| 245 | S | 46.3 | Very low | 44.4 | Very low | 131 Ų | 131 | 156 Ų | 156 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | | | trans | -169.6 | 48.8 | 143.3 | -72.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 246 | Q | 45.2 | Very low | 44.7 | Very low | 197 Ų | 197 | 156.8 Ų | 156.8 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -132.7 | 61.1 | 168.1 | -167.5 | -176 | 72.7 | 0 | 0 | 107.9 | | |
| 247 | E | 39.4 | Very low | 44.8 | Very low | 179 Ų | 179 | 153.6 Ų | 153.6 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | | | trans | -163.8 | 102.3 | 169.9 | -117.9 | -174.2 | 159.1 | 0 | 0 | 106.2 | | |
| 248 | Y | 41.3 | Very low | 44.9 | Very low | 201 Ų | 201 | 150.1 Ų | 150.1 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | | | trans | -178.8 | 72 | 139.3 | -115.1 | -94.9 | 0 | 0 | 0 | 108.7 | Q250 | Y248-Q250 VanDerWaalsContact C-N 3.32Å; Y248-Q250 HydrophobicContact CD1-CB 3.8Å; Y248-Q250 HydrophobicContact CE1-CB 3.87Å; Y248-Q250 PolarHBondContact O-N 2.88Å |
| 249 | L | 39.2 | Very low | 45.7 | Very low | 182 Ų | 182 | 150.9 Ų | 150.9 | 95% | 0.953 | 79% | 0.794 | S | S | * | * | | | trans | -72.3 | 93.2 | 145.5 | -88.5 | 162.9 | 0 | 0 | 0 | 106.5 | | |
| 250 | Q | 41.4 | Very low | 46.4 | Very low | 139 Ų | 139 | 154.8 Ų | 154.8 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | | | trans | -155.3 | 109.4 | 160.4 | -144.7 | 138.6 | 33.5 | 0 | 0 | 111.2 | Y248 P252 | Y248-Q250 VanDerWaalsContact C-N 3.32Å; Y248-Q250 HydrophobicContact CD1-CB 3.8Å; Y248-Q250 HydrophobicContact CE1-CB 3.87Å; Y248-Q250 PolarHBondContact O-N 2.88Å; Q250-P252 VanDerWaalsContact O-CD 3.28Å; Q250-P252 WeakPolarHBondContact O-CD 3.04Å |
| 251 | T | 43.5 | Very low | 46.6 | Very low | 139 Ų | 139 | 152.3 Ų | 152.3 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | trans | -74.1 | 124.8 | 157.9 | 39.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 252 | P | 47.8 | Very low | 46.8 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | | | trans | -118.4 | 114.1 | 146.6 | 32.8 | -19.9 | 0 | 0 | 0 | 106.9 | Q250 | Q250-P252 VanDerWaalsContact O-CD 3.28Å; Q250-P252 WeakPolarHBondContact O-CD 3.04Å |
| 253 | G | 42.3 | Very low | 47.3 | Very low | 65 Ų | 65 | 148.8 Ų | 148.8 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | | | | 61.2 | 88.8 | 72.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 254 | Q | 47.4 | Very low | 48.5 | Very low | 175 Ų | 175 | 147.2 Ų | 147.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | 175.7 | 122.6 | 144.6 | -103.9 | 173.7 | -23.4 | 0 | 0 | 113.9 | | |
| 255 | E | 50.3 | Low | 48.6 | Very low | 153 Ų | 153 | 147.9 Ų | 147.9 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | | | trans | 82.4 | 95.1 | 141.7 | -4.7 | -154.2 | 164.5 | 0 | 0 | 120.6 | | |
| 256 | V | 46.7 | Very low | 48.9 | Very low | 132 Ų | 132 | 150.3 Ų | 150.3 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | | | trans | -14.4 | 121.3 | 135.3 | -174 | 0 | 0 | 0 | 0 | 114.6 | | |
| 257 | T | 49.9 | Very low | 49.1 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | -152.1 | 98.2 | 140.8 | -65.5 | 0 | 0 | 0 | 0 | 108.9 | I259 | T257-I259 HydrophobicContact CG2-CG2 4.42Å; T257-I259 PolarHBondContact O-N 2.72Å |
| 258 | T | 51.6 | Low | 49.5 | Very low | 102 Ų | 102 | 149.1 Ų | 149.1 | 63% | 0.626 | 79% | 0.792 | S | S | * | * | | | trans | -73.8 | 113.1 | 166.1 | -55.5 | 0 | 0 | 0 | 0 | 108.6 | Y260 | T258-Y260 HydrophobicContact CG2-CD2 3.48Å; T258-Y260 VanDerWaalsContact CG2-CD2 3.48Å; T258-Y260 HydrophobicContact CG2-CE2 3.33Å; T258-Y260 HydrophobicContact CG2-CG 4.4Å |
| 259 | I | 61.3 | Low | 49.8 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | | | trans | -93.5 | 95.8 | 169.3 | 28.2 | 174.3 | 0 | 0 | 0 | 108.7 | T257 | T257-I259 HydrophobicContact CG2-CG2 4.42Å; T257-I259 PolarHBondContact O-N 2.72Å |
| 260 | Y | 52.4 | Low | 50.7 | Low | 208 Ų | 208 | 143.6 Ų | 143.6 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | | | trans | -78.8 | 116.5 | 159.6 | -78.6 | -79.7 | 0 | 0 | 0 | 108.2 | T258 T262 | T258-Y260 HydrophobicContact CG2-CD2 3.48Å; T258-Y260 VanDerWaalsContact CG2-CD2 3.48Å; T258-Y260 HydrophobicContact CG2-CE2 3.33Å; T258-Y260 HydrophobicContact CG2-CG 4.4Å; Y260-T262 PolarHBondContact O-N 3.39Å |
| 261 | A | 55.8 | Low | 51.7 | Low | 106 Ų | 106 | 141.5 Ų | 141.5 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | | | trans | -84.8 | 105.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 262 | T | 46.9 | Very low | 52.5 | Low | 130 Ų | 130 | 142.5 Ų | 142.5 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | | | trans | -28.6 | 127.6 | 166.3 | -52.3 | 0 | 0 | 0 | 0 | 116.5 | Y260 | Y260-T262 PolarHBondContact O-N 3.39Š|
| 263 | L | 54.3 | Low | 53.2 | Low | 161 Ų | 161 | 142.1 Ų | 142.1 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 140.1 | 158.8 | -76.4 | 160.7 | 0 | 0 | 0 | 110.2 | | |
| 264 | P | 70.6 | Confident | 53.9 | Low | 125 Ų | 125 | 150.5 Ų | 150.5 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 141 | 161.8 | 32.2 | -27.4 | 0 | 0 | 0 | 111.6 | | |
| 265 | F | 46.3 | Very low | 54.2 | Low | 186 Ų | 186 | 149.3 Ų | 149.3 | 82% | 0.816 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 127.2 | -178.9 | -177.5 | -86.9 | 0 | 0 | 0 | 108.9 | Q267 | F265-Q267 HydrophobicContact CE1-CG 4.32Š|
| 266 | E | 53.4 | Low | 54.4 | Low | 182 Ų | 182 | 149.1 Ų | 149.1 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | | | trans | -155.9 | 97.7 | 161.3 | -131.4 | 176.4 | 157.7 | 0 | 0 | 108 | | |
| 267 | Q | 50.4 | Low | 54.8 | Low | 158 Ų | 158 | 150 Ų | 150 | 74% | 0.738 | 82% | 0.818 | S | S | * | * | | | | 46.5 | 114.5 | 103.6 | -87.3 | -175.7 | -3.5 | 0 | 0 | 113.9 | F265 | F265-Q267 HydrophobicContact CE1-CG 4.32Š|
| 268 | Q | 45.8 | Very low | 55.1 | Low | 194 Ų | 194 | 151.8 Ų | 151.8 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | | | | 168.5 | 123.7 | 102.6 | -166.6 | 160.2 | 13.7 | 0 | 0 | 109.8 | | |
| 269 | G | 48.1 | Very low | 55.4 | Low | 69 Ų | 69 | 154.9 Ų | 154.9 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | | | trans | -75.9 | 158.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 270 | K | 59.1 | Low | 55 | Low | 197 Ų | 197 | 154.6 Ų | 154.6 | 86% | 0.857 | 84% | 0.837 | S | S | * | * | | | trans | -155.3 | 96.3 | 153.7 | -95.5 | 174.3 | -179.9 | 177.2 | 0 | 104.8 | | |
| 271 | S | 62.9 | Low | 55.1 | Low | 96 Ų | 96 | 150.8 Ų | 150.8 | 67% | 0.671 | 84% | 0.838 | S | S | * | * | | | | 53.1 | 104.9 | 90.1 | 68.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 272 | D | 58.8 | Low | 55.1 | Low | 160 Ų | 160 | 154.2 Ų | 154.2 | 86% | 0.856 | 84% | 0.836 | S | S | * | * | | | trans | 58.9 | 140.1 | 132.5 | -63.5 | -26.3 | 0 | 0 | 0 | 122.7 | | |
| 273 | S | 62 | Low | 55.8 | Low | 107 Ų | 107 | 156.3 Ų | 156.3 | 75% | 0.748 | 84% | 0.839 | S | S | * | * | | | trans | 94 | 85.6 | 141.9 | -165.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 274 | L | 57.5 | Low | 55.9 | Low | 240 Ų | 240 | 155.8 Ų | 155.8 | 100% | 1.257 | 84% | 0.838 | S | S | * | * | | | | -165.5 | 0 | 98.6 | -134.1 | 96.2 | 0 | 0 | 0 | 110.9 | | |