| 1 | A | 70.5 | Confident | 65.3 | Low | 161 Ų | 161 | 159.1 Ų | 159.1 | 100% | 1.331 | 85% | 0.846 | S | S | * | * | | | | 0 | 117.9 | 0 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 2 | K | 58.7 | Low | 65.4 | Low | 184 Ų | 184 | 155.9 Ų | 155.9 | 80% | 0.8 | 84% | 0.837 | S | S | * | * | | | trans | -87.8 | 153.3 | 175.6 | -74.4 | 174.9 | 172.7 | 178.3 | 0 | 108.7 | | |
| 3 | Y | 64.6 | Low | 65.7 | Low | 198 Ų | 198 | 153.7 Ų | 153.7 | 78% | 0.776 | 84% | 0.836 | S | S | * | * | | | trans | 155.5 | 99 | 130.7 | -82.7 | -68.4 | 0 | 0 | 0 | 108.6 | Y5 | Y3-Y5 AromaticContact CD1-CE2 3.79Å; Y3-Y5 HydrophobicContact CD1-CE2 3.79Å; Y3-Y5 HydrophobicContact CE1-CE2 4.45Å |
| 4 | G | 59.6 | Low | 65.5 | Low | 71 Ų | 71 | 161 Ų | 161 | 73% | 0.732 | 85% | 0.845 | S | S | * | * | | | trans | -90.5 | 144.1 | 157 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 5 | Y | 69.3 | Low | 65.2 | Low | 194 Ų | 194 | 154.5 Ų | 154.5 | 76% | 0.761 | 83% | 0.832 | S | S | * | * | | | trans | -140.7 | 103.2 | 161.8 | -82.8 | -79.7 | 0 | 0 | 0 | 106.7 | Y3 | Y3-Y5 AromaticContact CD1-CE2 3.79Å; Y3-Y5 HydrophobicContact CD1-CE2 3.79Å; Y3-Y5 HydrophobicContact CE1-CE2 4.45Å |
| 6 | E | 64.9 | Low | 64.7 | Low | 190 Ų | 190 | 158 Ų | 158 | 89% | 0.888 | 84% | 0.838 | S | S | * | * | | | trans | -88.3 | 137.2 | 156.1 | -74.2 | 175.3 | 159.8 | 0 | 0 | 107 | | |
| 7 | T | 70.1 | Confident | 64.5 | Low | 119 Ų | 119 | 156.8 Ų | 156.8 | 73% | 0.73 | 84% | 0.838 | S | S | * | * | | | trans | -137.5 | 93.8 | 169.6 | -31.6 | 0 | 0 | 0 | 0 | 107.4 | S9 | T7-S9 PolarHBondContact O-N 3.4Š|
| 8 | D | 61.5 | Low | 64.3 | Low | 159 Ų | 159 | 159.2 Ų | 159.2 | 85% | 0.85 | 84% | 0.843 | S | S | * | * | | | trans | -62.8 | 126.3 | 164.3 | -84.4 | -34 | 0 | 0 | 0 | 109.1 | | |
| 9 | S | 70.1 | Confident | 64.5 | Low | 98 Ų | 98 | 161.6 Ų | 161.6 | 69% | 0.685 | 85% | 0.845 | S | S | * | * | | | trans | -118.8 | 88.5 | 170.4 | -66.5 | 0 | 0 | 0 | 0 | 108.1 | T7 Q11 | T7-S9 PolarHBondContact O-N 3.4Å; S9-Q11 PolarHBondContact O-N 3.31Å |
| 10 | E | 67.9 | Low | 64.9 | Low | 191 Ų | 191 | 158.3 Ų | 158.3 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | | | trans | -64.9 | 110.9 | 161.9 | -72 | -168.8 | 146 | 0 | 0 | 108.9 | | |
| 11 | Q | 60.6 | Low | 65 | Low | 185 Ų | 185 | 158.8 Ų | 158.8 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | | | trans | -97.9 | 106.6 | 169.3 | -78.5 | -168.3 | 21.9 | 0 | 0 | 111.2 | S9 | S9-Q11 PolarHBondContact O-N 3.31Š|
| 12 | V | 67 | Low | 65 | Low | 121 Ų | 121 | 158.9 Ų | 158.9 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | | | trans | -7.9 | 130.3 | 157.2 | -171.2 | 0 | 0 | 0 | 0 | 116.8 | R14 | V12-R14 PolarHBondContact O-N 3.39Š|
| 13 | P | 68.9 | Low | 65.6 | Low | 127 Ų | 127 | 156.9 Ų | 156.9 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -62 | 120.9 | 169.6 | -16.7 | 28.7 | 0 | 0 | 0 | 111.8 | G15 | P13-G15 PolarHBondContact O-N 3.15Š|
| 14 | R | 63.4 | Low | 65.8 | Low | 256 Ų | 256 | 156 Ų | 156 | 97% | 0.966 | 79% | 0.786 | S | S | * | * | | | trans | -70.5 | 115.3 | 168.9 | -74.5 | -177.1 | 173.1 | -163.4 | -1.5 | 109.9 | V12 | V12-R14 PolarHBondContact O-N 3.39Š|
| 15 | G | 60.3 | Low | 66.3 | Low | 63 Ų | 63 | 157 Ų | 157 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | | | trans | -163.8 | 124.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P13 | P13-G15 PolarHBondContact O-N 3.15Š|
| 16 | K | 57.2 | Low | 66.4 | Low | 211 Ų | 211 | 155.2 Ų | 155.2 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | | | trans | 79.9 | 76.4 | 156 | -51.4 | 176.7 | -179 | 177.6 | 0 | 118 | | |
| 17 | V | 62.1 | Low | 66.5 | Low | 138 Ų | 138 | 153.9 Ų | 153.9 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | | | trans | -137.1 | -0.3 | 155.3 | -164.7 | 0 | 0 | 0 | 0 | 114 | K19 | V17-K19 VanDerWaalsContact C-N 3.31Å; V17-K19 PolarHBondContact O-N 3.19Å |
| 18 | E | 60.7 | Low | 65.9 | Low | 200 Ų | 200 | 155.4 Ų | 155.4 | 94% | 0.935 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 32 | -164.7 | -145 | 171.4 | -158.2 | 0 | 0 | 116.3 | | |
| 19 | K | 67.3 | Low | 65.9 | Low | 204 Ų | 204 | 153.7 Ų | 153.7 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.3 | 11.4 | -176.6 | -112.7 | -173.7 | -178.5 | -174 | 0 | 116.9 | V17 | V17-K19 VanDerWaalsContact C-N 3.31Å; V17-K19 PolarHBondContact O-N 3.19Å |
| 20 | N | 72.5 | Confident | 65.7 | Low | 95 Ų | 95 | 158 Ų | 158 | 51% | 0.508 | 78% | 0.775 | S | S | . | * | S | Bend | trans | -130.2 | 14.7 | -171.9 | -120.8 | -31.6 | 0 | 0 | 0 | 115.4 | | |
| 21 | F | 66.9 | Low | 65.7 | Low | 169 Ų | 169 | 154.6 Ų | 154.6 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -90.7 | -36.1 | 179.9 | -159.8 | -97.8 | 0 | 0 | 0 | 112.5 | R24 V25 | F21-R24 PolarHBondContact O-N 3.43Å; F21-V25 HydrophobicContact CD1-CG2 4.43Å; F21-V25 HydrophobicContact CE1-CG2 4.24Å |
| 22 | E | 71 | Confident | 65.3 | Low | 163 Ų | 163 | 155.7 Ų | 155.7 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | H | α-helix | trans | -73.8 | -31.9 | -174.9 | -154.5 | 157 | -161.8 | 0 | 0 | 112.9 | R24 V25 | E22-R24 VanDerWaalsContact C-N 3.28Å; E22-R24 PolarHBondContact O-N 3.44Å; E22-V25 PolarHBondContact O-N 3.48Å |
| 23 | E | 71.8 | Confident | 64.7 | Low | 143 Ų | 143 | 153.7 Ų | 153.7 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | H | α-helix | trans | -71.8 | -22.1 | 176.5 | -156.7 | 172.1 | -169.3 | 0 | 0 | 112.7 | | |
| 24 | R | 68.1 | Low | 64.4 | Low | 178 Ų | 178 | 153.2 Ų | 153.2 | 67% | 0.672 | 78% | 0.776 | S | S | * | * | H | α-helix | trans | -83.3 | -22.5 | 178.1 | -123 | -178.6 | -70.9 | -169.7 | -3.6 | 113.6 | F21 E22 | F21-R24 PolarHBondContact O-N 3.43Å; E22-R24 VanDerWaalsContact C-N 3.28Å; E22-R24 PolarHBondContact O-N 3.44Å |
| 25 | V | 71.5 | Confident | 64.5 | Low | 94 Ų | 94 | 150.3 Ų | 150.3 | 57% | 0.57 | 77% | 0.77 | S | S | * | * | H | α-helix | trans | -81.4 | -20.9 | -179.9 | 177 | 0 | 0 | 0 | 0 | 111.9 | F21 E22 | F21-V25 HydrophobicContact CD1-CG2 4.43Å; F21-V25 HydrophobicContact CE1-CG2 4.24Å; E22-V25 PolarHBondContact O-N 3.48Å |
| 26 | Q | 71.6 | Confident | 64.4 | Low | 156 Ų | 156 | 153.1 Ų | 153.1 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -83 | -13 | -179 | -72.1 | -174.8 | -1.8 | 0 | 0 | 115 | D28 | Q26-D28 PolarHBondContact O-N 2.99Š|
| 27 | Q | 66.6 | Low | 64.2 | Low | 162 Ų | 162 | 151.8 Ų | 151.8 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -78.6 | -13.8 | -177.9 | -80.7 | -173.9 | -11.2 | 0 | 0 | 115.1 | | |
| 28 | D | 57.2 | Low | 63.8 | Low | 151 Ų | 151 | 154.2 Ų | 154.2 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -105.3 | 11.4 | -171.8 | -77.7 | -27.9 | 0 | 0 | 0 | 116 | Q26 | Q26-D28 PolarHBondContact O-N 2.99Š|
| 29 | V | 61.7 | Low | 63.3 | Low | 123 Ų | 123 | 152.5 Ų | 152.5 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | | | trans | -104.7 | 80.4 | 175.6 | -170.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 30 | K | 66.2 | Low | 62.6 | Low | 187 Ų | 187 | 148.4 Ų | 148.4 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | trans | -81.5 | 123.4 | 162.5 | -84.7 | 179.8 | 179.7 | 172.7 | 0 | 109.5 | F32 | K30-F32 PolarHBondContact O-N 3.4Š|
| 31 | P | 67.1 | Low | 61.3 | Low | 121 Ų | 121 | 149.6 Ų | 149.6 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | trans | -69.6 | 127.2 | 173 | 27.3 | -29.9 | 0 | 0 | 0 | 109.5 | G33 | P31-G33 PolarHBondContact O-N 3.37Å; P31-G33 VanDerWaalsContact O-N 3.15Å |
| 32 | F | 52.2 | Low | 60.5 | Low | 208 Ų | 208 | 147.8 Ų | 147.8 | 91% | 0.912 | 79% | 0.792 | S | S | * | * | | | trans | -60.3 | 114.4 | 170.4 | -87.3 | -91.5 | 0 | 0 | 0 | 109.5 | K30 S34 | K30-F32 PolarHBondContact O-N 3.4Å; F32-S34 PolarHBondContact O-N 3.35Å |
| 33 | G | 54.6 | Low | 59.5 | Low | 79 Ų | 79 | 143.4 Ų | 143.4 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | | | trans | -68.4 | 107.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P31 K35 | P31-G33 PolarHBondContact O-N 3.37Å; P31-G33 VanDerWaalsContact O-N 3.15Å; G33-K35 PolarHBondContact O-N 2.96Å |
| 34 | S | 62.4 | Low | 58.1 | Low | 116 Ų | 116 | 148.3 Ų | 148.3 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | -76 | 111.1 | 166.1 | 41.8 | 0 | 0 | 0 | 0 | 109.7 | F32 | F32-S34 PolarHBondContact O-N 3.35Š|
| 35 | K | 65.3 | Low | 57.2 | Low | 196 Ų | 196 | 148.7 Ų | 148.7 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66 | 139.8 | 167.1 | -74.5 | 179.8 | 177.6 | 178.1 | 0 | 109.8 | G33 | G33-K35 PolarHBondContact O-N 2.96Š|
| 36 | P | 58.5 | Low | 55.9 | Low | 121 Ų | 121 | 149.7 Ų | 149.7 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 135.5 | 173.4 | 25.2 | -26.3 | 0 | 0 | 0 | 110.4 | | |
| 37 | M | 53 | Low | 54.6 | Low | 184 Ų | 184 | 148.5 Ų | 148.5 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 116.3 | 174 | -171.8 | 179.3 | -70.8 | 0 | 0 | 108.6 | | |
| 38 | E | 53.1 | Low | 54 | Low | 189 Ų | 189 | 149.4 Ų | 149.4 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 127.6 | 174.9 | -67.1 | -167.2 | 157.7 | 0 | 0 | 110.6 | | |
| 39 | L | 51.6 | Low | 53.3 | Low | 164 Ų | 164 | 149 Ų | 149 | 86% | 0.859 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 143.5 | 169.5 | -80.2 | 164.1 | 0 | 0 | 0 | 109.9 | S41 | L39-S41 PolarHBondContact O-N 3.27Š|
| 40 | P | 52 | Low | 53 | Low | 118 Ų | 118 | 146.4 Ų | 146.4 | 77% | 0.766 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 129.5 | 178.9 | 26.9 | -31.6 | 0 | 0 | 0 | 111.2 | | |
| 41 | S | 45.8 | Very low | 52.2 | Low | 119 Ų | 119 | 149.3 Ų | 149.3 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 126.8 | 175.1 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | L39 | L39-S41 PolarHBondContact O-N 3.27Š|
| 42 | C | 48.4 | Very low | 51.4 | Low | 132 Ų | 132 | 149.6 Ų | 149.6 | 89% | 0.892 | 84% | 0.837 | S | S | * | * | | | trans | -136.8 | 118.3 | 162.9 | -113.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 43 | G | 51.3 | Low | 51.1 | Low | 71 Ų | 71 | 144 Ų | 144 | 73% | 0.732 | 84% | 0.837 | S | S | * | * | | | trans | 68.1 | 97.9 | 143.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | H45 | G43-H45 PolarHBondContact O-N 3.34Š|
| 44 | R | 41.9 | Very low | 50.7 | Low | 246 Ų | 246 | 145.8 Ų | 145.8 | 93% | 0.928 | 83% | 0.832 | S | S | * | * | | | trans | -54.5 | 120.3 | 163.4 | -67.6 | 177.4 | 177.9 | -176.8 | -1.3 | 111.2 | | |
| 45 | H | 49.2 | Very low | 49.8 | Very low | 185 Ų | 185 | 148.9 Ų | 148.9 | 86% | 0.856 | 84% | 0.839 | S | S | * | * | | | trans | -137 | 126.4 | 146.4 | -75.9 | -63 | 0 | 0 | 0 | 109.1 | G43 | G43-H45 PolarHBondContact O-N 3.34Š|
| 46 | S | 43.7 | Very low | 48.7 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | | | trans | -64.5 | 132 | -178.3 | -153.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 47 | V | 45.5 | Very low | 48 | Very low | 131 Ų | 131 | 150.2 Ų | 150.2 | 79% | 0.794 | 84% | 0.84 | S | S | * | * | | | trans | -117.1 | 109.2 | 168.9 | 176.4 | 0 | 0 | 0 | 0 | 106.9 | | |
| 48 | E | 53.1 | Low | 47.8 | Very low | 181 Ų | 181 | 150 Ų | 150 | 85% | 0.846 | 84% | 0.837 | S | S | * | * | | | trans | -84.8 | 125.7 | 167.5 | -72.4 | -175.8 | 165.6 | 0 | 0 | 109.6 | G50 | E48-G50 PolarHBondContact O-N 3.44Š|
| 49 | T | 42.6 | Very low | 48.2 | Very low | 143 Ų | 143 | 149 Ų | 149 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | | | trans | -76.6 | 106.8 | 173.2 | 29.2 | 0 | 0 | 0 | 0 | 111 | | |
| 50 | G | 56.3 | Low | 48.5 | Very low | 67 Ų | 67 | 146.9 Ų | 146.9 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | | | trans | -85.3 | 130.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E48 T52 | E48-G50 PolarHBondContact O-N 3.44Å; G50-T52 VanDerWaalsContact C-N 3.35Å; G50-T52 PolarHBondContact O-N 2.79Å |
| 51 | R | 48.4 | Very low | 48.2 | Very low | 249 Ų | 249 | 147.5 Ų | 147.5 | 94% | 0.94 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -66.8 | 86.8 | 168.9 | -79.5 | 178.3 | 171.3 | 175.6 | -2.6 | 109.8 | | |
| 52 | T | 51 | Low | 48.6 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | S | Bend | trans | 170.7 | 117.3 | 154.1 | 26.2 | 0 | 0 | 0 | 0 | 107.4 | G50 V54 | G50-T52 VanDerWaalsContact C-N 3.35Å; G50-T52 PolarHBondContact O-N 2.79Å; T52-V54 VanDerWaalsContact C-N 3.31Å; T52-V54 PolarHBondContact O-N 3.37Å |
| 53 | G | 44.9 | Very low | 48 | Very low | 90 Ų | 90 | 154.4 Ų | 154.4 | 93% | 0.928 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -70.1 | 69.2 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 54 | V | 47.2 | Very low | 47.6 | Very low | 116 Ų | 116 | 159.3 Ų | 159.3 | 70% | 0.703 | 84% | 0.839 | S | S | * | * | | | trans | -138.7 | 104.7 | 167.8 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | T52 R56 | T52-V54 VanDerWaalsContact C-N 3.31Å; T52-V54 PolarHBondContact O-N 3.37Å; V54-R56 HydrophobicContact CG1-CG 4.49Å |
| 55 | L | 42.3 | Very low | 47.5 | Very low | 181 Ų | 181 | 152.9 Ų | 152.9 | 95% | 0.948 | 84% | 0.838 | S | S | * | * | | | trans | -85.1 | 110 | 170.4 | -70.2 | 170.8 | 0 | 0 | 0 | 109.3 | | |
| 56 | R | 42.9 | Very low | 47.5 | Very low | 225 Ų | 225 | 147.5 Ų | 147.5 | 85% | 0.849 | 83% | 0.833 | S | S | * | * | | | trans | -101.8 | 118.9 | 163.7 | -82.1 | -174.5 | 175.9 | 173.4 | -0.3 | 108.9 | V54 Q58 | V54-R56 HydrophobicContact CG1-CG 4.49Å; R56-Q58 PolarHBondContact O-N 3.47Å |
| 57 | C | 44.6 | Very low | 47.2 | Very low | 120 Ų | 120 | 147 Ų | 147 | 81% | 0.811 | 84% | 0.836 | S | S | * | * | | | trans | -80.1 | 110.1 | 166.9 | -168.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 58 | Q | 48.6 | Very low | 47.7 | Very low | 181 Ų | 181 | 151.9 Ų | 151.9 | 85% | 0.846 | 84% | 0.84 | S | S | * | * | | | trans | -88.1 | 108.7 | 166.1 | -71.8 | -170.1 | 30.2 | 0 | 0 | 108.3 | R56 | R56-Q58 PolarHBondContact O-N 3.47Š|
| 59 | Q | 61.4 | Low | 47.6 | Very low | 166 Ų | 166 | 148.8 Ų | 148.8 | 78% | 0.776 | 84% | 0.836 | S | S | * | * | | | trans | -85.8 | 137.2 | 162.1 | -78.1 | -172.9 | -17.1 | 0 | 0 | 109.4 | V61 | Q59-V61 PolarHBondContact O-N 3.25Š|
| 60 | P | 57 | Low | 47.7 | Very low | 121 Ų | 121 | 151 Ų | 151 | 79% | 0.786 | 84% | 0.841 | S | S | * | * | | | trans | -73.1 | 122 | 169.1 | 29 | -29.9 | 0 | 0 | 0 | 109.7 | N62 | P60-N62 PolarHBondContact O-N 3.24Š|
| 61 | V | 45.7 | Very low | 47.1 | Very low | 130 Ų | 130 | 152 Ų | 152 | 79% | 0.788 | 84% | 0.838 | S | S | * | * | | | trans | -82.8 | 92.6 | 178.3 | -157.7 | 0 | 0 | 0 | 0 | 108.8 | Q59 | Q59-V61 PolarHBondContact O-N 3.25Š|
| 62 | N | 54.4 | Low | 47.1 | Very low | 158 Ų | 158 | 147.8 Ų | 147.8 | 85% | 0.845 | 83% | 0.834 | S | S | * | * | | | trans | -99.9 | 104.9 | 162.6 | -84.3 | -22.2 | 0 | 0 | 0 | 109.3 | P60 L64 | P60-N62 PolarHBondContact O-N 3.24Å; N62-L64 PolarHBondContact O-N 3.27Å |
| 63 | R | 35.8 | Very low | 47.1 | Very low | 238 Ų | 238 | 148.8 Ų | 148.8 | 90% | 0.898 | 84% | 0.839 | S | S | * | * | | | trans | -64.7 | 113.3 | 168 | -81.9 | 178 | 172.3 | 166.9 | -2.3 | 109.4 | | |
| 64 | L | 43.7 | Very low | 47.7 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | | | trans | -141.5 | 123.2 | 151.1 | -93.8 | 166.4 | 0 | 0 | 0 | 108.6 | N62 | N62-L64 PolarHBondContact O-N 3.27Š|
| 65 | A | 38.5 | Very low | 48.5 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | | | trans | -65.7 | 133.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 66 | G | 49.2 | Very low | 49.7 | Very low | 73 Ų | 73 | 146.2 Ų | 146.2 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | trans | 175.5 | 83.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R68 | G66-R68 PolarHBondContact O-N 3.41Š|
| 67 | A | 37.7 | Very low | 51.3 | Low | 106 Ų | 106 | 141.8 Ų | 141.8 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | | | trans | -62.4 | 120.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 68 | R | 56.7 | Low | 52.9 | Low | 233 Ų | 233 | 139.7 Ų | 139.7 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | trans | -140.5 | 135.5 | 157.8 | -76.2 | -168 | 174.8 | -172.4 | -1 | 109.9 | G66 | G66-R68 PolarHBondContact O-N 3.41Š|
| 69 | P | 51 | Low | 54.4 | Low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | trans | -76.3 | 130.9 | -175.4 | 29.5 | -31.5 | 0 | 0 | 0 | 111.3 | S71 | P69-S71 VanDerWaalsContact C-N 3.35Å; P69-S71 PolarHBondContact O-N 2.99Å; P69-S71 VanDerWaalsContact O-N 3.08Å |
| 70 | L | 44 | Very low | 55.1 | Low | 189 Ų | 189 | 133 Ų | 133 | 99% | 0.99 | 75% | 0.753 | S | S | * | * | | | trans | -75.8 | 86 | 168.2 | -73.6 | 166 | 0 | 0 | 0 | 109.1 | | |
| 71 | S | 43.7 | Very low | 56.2 | Low | 89 Ų | 89 | 128.8 Ų | 128.8 | 62% | 0.622 | 73% | 0.729 | S | S | * | * | | | trans | -113.7 | 100.2 | 162.1 | 59.6 | 0 | 0 | 0 | 0 | 107.4 | P69 | P69-S71 VanDerWaalsContact C-N 3.35Å; P69-S71 PolarHBondContact O-N 2.99Å; P69-S71 VanDerWaalsContact O-N 3.08Å |
| 72 | N | 49.1 | Very low | 58.1 | Low | 159 Ų | 159 | 125.3 Ų | 125.3 | 85% | 0.85 | 71% | 0.706 | S | S | * | * | | | trans | 168.3 | 67.8 | 156.3 | -83.2 | -18.3 | 0 | 0 | 0 | 110.7 | | |
| 73 | V | 51.4 | Low | 59.8 | Low | 148 Ų | 148 | 123.1 Ų | 123.1 | 90% | 0.897 | 69% | 0.69 | S | S | * | * | | | trans | -119.7 | 96.2 | 159.5 | -177 | 0 | 0 | 0 | 0 | 105.7 | | |
| 74 | R | 56 | Low | 62.2 | Low | 169 Ų | 169 | 118.7 Ų | 118.7 | 64% | 0.638 | 67% | 0.674 | S | S | * | * | | | trans | -71.6 | 140.3 | 173.6 | -86.3 | -177.5 | -177.3 | -170.6 | -4.6 | 109.2 | D78 D82 | R74-D78 HydrophobicContact CB-CB 4.36Å; R74-D78 HydrophobicContact CG-CB 4.46Å; R74-D82 IonicContact CZ-OD2 2.66Å; R74-D82 IonicContact NH1-OD2 2.7Å; R74-D82 PolarHBondContact NH1-OD2 3.36Å |
| 75 | A | 64.9 | Low | 64.4 | Low | 50 Ų | 50 | 115.9 Ų | 115.9 | 41% | 0.413 | 65% | 0.651 | S | S | . | * | | | trans | -64.6 | 146.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | N77 D78 | A75-N77 PolarHBondContact O-N 3.02Å; A75-D78 PolarHBondContact O-N 3.48Å |
| 76 | P | 67.9 | Low | 66.9 | Low | 114 Ų | 114 | 117.2 Ų | 117.2 | 74% | 0.74 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -56.8 | -21.1 | 179.5 | 17.2 | -28.8 | 0 | 0 | 0 | 113.9 | | |
| 77 | N | 76.3 | Confident | 68.8 | Low | 132 Ų | 132 | 118.3 Ų | 118.3 | 71% | 0.706 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.4 | -27 | 174.9 | -69.1 | -22.2 | 0 | 0 | 0 | 113.8 | A75 A81 | A75-N77 PolarHBondContact O-N 3.02Å; N77-A81 PolarHBondContact O-N 2.82Å |
| 78 | D | 77.8 | Confident | 71.2 | Confident | 76 Ų | 76 | 117.6 Ų | 117.6 | 41% | 0.406 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -74.7 | -33.1 | -178.8 | -65.1 | -34.7 | 0 | 0 | 0 | 111.7 | R74 A75 A81 D82 | R74-D78 HydrophobicContact CB-CB 4.36Å; R74-D78 HydrophobicContact CG-CB 4.46Å; A75-D78 PolarHBondContact O-N 3.48Å; D78-A81 PolarHBondContact O-N 3.09Å; D78-D82 PolarHBondContact O-N 2.77Å |
| 79 | A | 79.5 | Confident | 72.8 | Confident | 62 Ų | 62 | 114 Ų | 114 | 51% | 0.512 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.3 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D82 Q83 | A79-D82 PolarHBondContact O-N 3Å; A79-Q83 PolarHBondContact O-N 3.41Å |
| 80 | F | 75.8 | Confident | 74.5 | Confident | 145 Ų | 145 | 111.3 Ų | 111.3 | 64% | 0.636 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.1 | -42 | 176.4 | -173.5 | -95.9 | 0 | 0 | 0 | 112 | D82 Q83 W84 | F80-D82 VanDerWaalsContact C-N 3.29Å; F80-D82 PolarHBondContact O-N 3.16Å; F80-Q83 PolarHBondContact O-N 3.34Å; F80-W84 WeakPolarHBondContact O-CB 3.49Å; F80-W84 PolarHBondContact O-N 3.43Å |
| 81 | A | 81.7 | Confident | 76.4 | Confident | 33 Ų | 33 | 108 Ų | 108 | 27% | 0.273 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.8 | -36.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N77 D78 R85 | N77-A81 PolarHBondContact O-N 2.82Å; D78-A81 PolarHBondContact O-N 3.09Å; A81-R85 WeakPolarHBondContact O-CB 3.45Å; A81-R85 VanDerWaalsContact O-CG 3.29Å; A81-R85 WeakPolarHBondContact O-CG 3.3Å; A81-R85 PolarHBondContact O-N 3.29Å; A81-R85 PolarHBondContact O-NE 3.02Å |
| 82 | D | 85.6 | Confident | 78.6 | Confident | 56 Ų | 56 | 108.7 Ų | 108.7 | 30% | 0.299 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71.9 | -40.6 | 176.7 | -77.4 | -11.1 | 0 | 0 | 0 | 112.8 | R74 D78 A79 F80 R85 H86 | R74-D82 IonicContact CZ-OD2 2.66Å; R74-D82 IonicContact NH1-OD2 2.7Å; R74-D82 PolarHBondContact NH1-OD2 3.36Å; D78-D82 PolarHBondContact O-N 2.77Å; A79-D82 PolarHBondContact O-N 3Å; F80-D82 VanDerWaalsContact C-N 3.29Å; F80-D82 PolarHBondContact O-N 3.16Å; D82-R85 PolarHBondContact O-N 3.15Å; D82-R85 IonicContact OD1-CZ 3.18Å; D82-R85 IonicContact OD1-NE 3.9Å; D82-R85 PolarHBondContact OD1-NE 3.47Å; D82-R85 IonicContact OD1-NH2 3.36Å; D82-R85 PolarHBondContact OD1-NH2 3.34Å; D82-H86 WeakPolarHBondContact O-CB 3.5Å; D82-H86 PolarHBondContact O-N 3.5Å |
| 83 | Q | 88.8 | Confident | 80.4 | Confident | 112 Ų | 112 | 108.9 Ų | 108.9 | 52% | 0.523 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 172.9 | -177.5 | 176.6 | -4.4 | 0 | 0 | 111.2 | A79 F80 R85 H86 E87 | A79-Q83 PolarHBondContact O-N 3.41Å; F80-Q83 PolarHBondContact O-N 3.34Å; Q83-R85 VanDerWaalsContact C-N 3.33Å; Q83-R85 PolarHBondContact O-N 3.13Å; Q83-H86 WeakPolarHBondContact O-CB 3.48Å; Q83-H86 PolarHBondContact O-N 3.49Å; Q83-E87 PolarHBondContact NE2-OE1 3.04Å; Q83-E87 PolarHBondContact O-N 2.97Å |
| 84 | W | 87.5 | Confident | 82.1 | Confident | 145 Ų | 145 | 107.9 Ų | 107.9 | 55% | 0.549 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 179.1 | -167.1 | 84.1 | 0 | 0 | 0 | 112.2 | F80 H86 R88 | F80-W84 WeakPolarHBondContact O-CB 3.49Å; F80-W84 PolarHBondContact O-N 3.43Å; W84-H86 VanDerWaalsContact C-N 3.32Å; W84-H86 PolarHBondContact O-N 3.13Å; W84-R88 WeakPolarHBondContact O-CB 3.46Å; W84-R88 PolarHBondContact O-N 3.19Å |
| 85 | R | 90.4 | Very high | 83.7 | Confident | 116 Ų | 116 | 104.3 Ų | 104.3 | 44% | 0.438 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -35.3 | 172.7 | -80.1 | -174.4 | -81.4 | -111.4 | 4 | 112.6 | A81 D82 Q83 R89 | A81-R85 WeakPolarHBondContact O-CB 3.45Å; A81-R85 VanDerWaalsContact O-CG 3.29Å; A81-R85 WeakPolarHBondContact O-CG 3.3Å; A81-R85 PolarHBondContact O-N 3.29Å; A81-R85 PolarHBondContact O-NE 3.02Å; D82-R85 PolarHBondContact O-N 3.15Å; D82-R85 IonicContact OD1-CZ 3.18Å; D82-R85 IonicContact OD1-NE 3.9Å; D82-R85 PolarHBondContact OD1-NE 3.47Å; D82-R85 IonicContact OD1-NH2 3.36Å; D82-R85 PolarHBondContact OD1-NH2 3.34Å; Q83-R85 VanDerWaalsContact C-N 3.33Å; Q83-R85 PolarHBondContact O-N 3.13Å; R85-R89 WeakPolarHBondContact O-CG 3.32Å; R85-R89 PolarHBondContact O-N 2.97Å |
| 86 | H | 90.7 | Very high | 84.4 | Confident | 139 Ų | 139 | 105.3 Ų | 105.3 | 64% | 0.644 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -71.7 | -45.3 | 178.5 | -165.5 | -73.7 | 0 | 0 | 0 | 111.5 | D82 Q83 W84 R88 R89 A90 | D82-H86 WeakPolarHBondContact O-CB 3.5Å; D82-H86 PolarHBondContact O-N 3.5Å; Q83-H86 WeakPolarHBondContact O-CB 3.48Å; Q83-H86 PolarHBondContact O-N 3.49Å; W84-H86 VanDerWaalsContact C-N 3.32Å; W84-H86 PolarHBondContact O-N 3.13Å; H86-R88 PolarHBondContact O-N 3.49Å; H86-R89 PolarHBondContact O-N 3.27Å; H86-A90 PolarHBondContact O-N 3.31Å |
| 87 | E | 88.7 | Confident | 85.5 | Confident | 96 Ų | 96 | 103.9 Ų | 103.9 | 45% | 0.449 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 175.5 | -73.3 | 177.9 | -174.6 | 0 | 0 | 112.1 | Q83 R89 A90 M91 | Q83-E87 PolarHBondContact NE2-OE1 3.04Å; Q83-E87 PolarHBondContact O-N 2.97Å; E87-R89 PolarHBondContact O-N 3.48Å; E87-A90 WeakPolarHBondContact O-CB 3.46Å; E87-A90 PolarHBondContact O-N 3.41Å; E87-M91 PolarHBondContact O-N 3.03Å |
| 88 | R | 87.4 | Confident | 86.1 | Confident | 91 Ų | 91 | 100.4 Ų | 100.4 | 34% | 0.343 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 173.9 | -175.6 | -178.9 | 173.4 | 159.8 | 8.6 | 111.9 | W84 H86 A90 M91 E92 E114 | W84-R88 WeakPolarHBondContact O-CB 3.46Å; W84-R88 PolarHBondContact O-N 3.19Å; H86-R88 PolarHBondContact O-N 3.49Å; R88-A90 VanDerWaalsContact C-N 3.33Å; R88-A90 PolarHBondContact O-N 3.33Å; R88-M91 PolarHBondContact O-N 3.41Å; R88-E92 IonicContact CZ-OE1 2.95Å; R88-E92 IonicContact NE-OE1 3.68Å; R88-E92 PolarHBondContact NE-OE1 3.22Å; R88-E92 IonicContact NH2-OE1 3.75Å; R88-E92 WeakPolarHBondContact O-CG 3.49Å; R88-E92 PolarHBondContact O-N 2.89Å; R88-E114 IonicContact CZ-OE1 3.82Å; R88-E114 IonicContact NH1-OE1 3.57Å; R88-E114 IonicContact NH2-OE1 2.88Å; R88-E114 PolarHBondContact NH2-OE1 3.04Å |
| 89 | R | 90.4 | Very high | 86.7 | Confident | 156 Ų | 156 | 97.8 Ų | 97.8 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -39.6 | 176.4 | -76.7 | -171.2 | -119 | -156.4 | 1.1 | 111.8 | R85 H86 E87 M91 E92 H93 | R85-R89 WeakPolarHBondContact O-CG 3.32Å; R85-R89 PolarHBondContact O-N 2.97Å; H86-R89 PolarHBondContact O-N 3.27Å; E87-R89 PolarHBondContact O-N 3.48Å; R89-M91 VanDerWaalsContact C-N 3.3Å; R89-M91 PolarHBondContact O-N 3.18Å; R89-E92 PolarHBondContact O-N 3.43Å; R89-H93 PolarHBondContact O-CD2 3.48Å; R89-H93 PolarHBondContact O-N 3Å |
| 90 | A | 87.6 | Confident | 87.3 | Confident | 61 Ų | 61 | 97.4 Ų | 97.4 | 50% | 0.504 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -37.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H86 E87 R88 | H86-A90 PolarHBondContact O-N 3.31Å; E87-A90 WeakPolarHBondContact O-CB 3.46Å; E87-A90 PolarHBondContact O-N 3.41Å; R88-A90 VanDerWaalsContact C-N 3.33Å; R88-A90 PolarHBondContact O-N 3.33Å |
| 91 | M | 84.1 | Confident | 88.1 | Confident | 119 Ų | 119 | 97.9 Ų | 97.9 | 59% | 0.586 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -73.3 | -32.9 | 175.4 | -75.4 | -170.2 | -96.1 | 0 | 0 | 113.7 | E87 R88 R89 H93 R94 | E87-M91 PolarHBondContact O-N 3.03Å; R88-M91 PolarHBondContact O-N 3.41Å; R89-M91 VanDerWaalsContact C-N 3.3Å; R89-M91 PolarHBondContact O-N 3.18Å; M91-H93 VanDerWaalsContact C-N 3.33Å; M91-H93 PolarHBondContact O-N 2.92Å; M91-R94 PolarHBondContact O-N 3.26Å |
| 92 | E | 88.2 | Confident | 88.6 | Confident | 103 Ų | 103 | 100.3 Ų | 100.3 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.4 | -28.7 | -179.8 | -79.2 | 174.3 | -175.7 | 0 | 0 | 113 | R88 R89 | R88-E92 IonicContact CZ-OE1 2.95Å; R88-E92 IonicContact NE-OE1 3.68Å; R88-E92 PolarHBondContact NE-OE1 3.22Å; R88-E92 IonicContact NH2-OE1 3.75Å; R88-E92 WeakPolarHBondContact O-CG 3.49Å; R88-E92 PolarHBondContact O-N 2.89Å; R89-E92 PolarHBondContact O-N 3.43Å |
| 93 | H | 87.3 | Confident | 89 | Confident | 163 Ų | 163 | 100.8 Ų | 100.8 | 76% | 0.755 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -1.6 | 179.1 | -71.7 | -65.6 | 0 | 0 | 0 | 115.2 | R89 M91 | R89-H93 PolarHBondContact O-CD2 3.48Å; R89-H93 PolarHBondContact O-N 3Å; M91-H93 VanDerWaalsContact C-N 3.33Å; M91-H93 PolarHBondContact O-N 2.92Å |
| 94 | R | 87 | Confident | 89.2 | Confident | 128 Ų | 128 | 100.3 Ų | 100.3 | 48% | 0.483 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -76.8 | 128.9 | 175.6 | -105.3 | -175.8 | 178 | 168 | -0.2 | 111.2 | M91 L99 E103 | M91-R94 PolarHBondContact O-N 3.26Å; R94-L99 HydrophobicContact CB-CD2 4.31Å; R94-E103 IonicContact NH1-OE1 3Å; R94-E103 PolarHBondContact NH1-OE1 2.99Å |
| 95 | P | 89.4 | Confident | 89.4 | Confident | 93 Ų | 93 | 98.4 Ų | 98.4 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | | | trans | -61.3 | 140.4 | 175.1 | 24.8 | -32.1 | 0 | 0 | 0 | 110.3 | G97 A98 | P95-G97 PolarHBondContact O-N 3.49Å; P95-A98 HydrophobicContact CG-CB 4.22Å; P95-A98 PolarHBondContact O-N 3.28Å |
| 96 | A | 80.1 | Confident | 89.4 | Confident | 72 Ų | 72 | 95.8 Ų | 95.8 | 60% | 0.595 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -58.6 | -23.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A98 | A96-A98 VanDerWaalsContact C-N 3.32Å; A96-A98 PolarHBondContact O-N 3.19Å |
| 97 | G | 90.9 | Very high | 89.5 | Confident | 84 Ų | 84 | 93.1 Ų | 93.1 | 87% | 0.866 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -77.9 | -7.1 | 177 | 0 | 0 | 0 | 0 | 0 | 115.6 | P95 | P95-G97 PolarHBondContact O-N 3.49Š|
| 98 | A | 88.6 | Confident | 89.6 | Confident | 58 Ų | 58 | 96 Ų | 96 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -101.7 | 1.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | P95 A96 | P95-A98 HydrophobicContact CG-CB 4.22Å; P95-A98 PolarHBondContact O-N 3.28Å; A96-A98 VanDerWaalsContact C-N 3.32Å; A96-A98 PolarHBondContact O-N 3.19Å |
| 99 | L | 92 | Very high | 89.7 | Confident | 22 Ų | 22 | 94.4 Ų | 94.4 | 12% | 0.115 | 52% | 0.518 | C | S | . | . | | | trans | -94 | 127.8 | -177.7 | -63.2 | 178 | 0 | 0 | 0 | 110.8 | R94 E103 Q104 | R94-L99 HydrophobicContact CB-CD2 4.31Å; L99-E103 WeakPolarHBondContact CA-OE2 3.32Å; L99-E103 HydrophobicContact CB-CB 4.01Å; L99-E103 HydrophobicContact CD2-CB 4.07Å; L99-E103 HydrophobicContact CG-CB 4.49Å; L99-Q104 HydrophobicContact CB-CG 3.89Å; L99-Q104 PolarHBondContact O-NE2 3.48Å; L99-Q104 VanDerWaalsContact O-NE2 3.09Å |
| 100 | S | 92.3 | Very high | 89.6 | Confident | 54 Ų | 54 | 89.8 Ų | 89.8 | 38% | 0.378 | 51% | 0.514 | S | S | . | . | | | trans | -57.8 | 156.9 | 167.5 | 61.6 | 0 | 0 | 0 | 0 | 111.2 | S102 E103 Q104 | S100-S102 PolarHBondContact O-N 2.95Å; S100-S102 PolarHBondContact OG-OG 2.94Å; S100-E103 WeakPolarHBondContact CB-OE2 3.46Å; S100-E103 PolarHBondContact N-OE2 2.97Å; S100-E103 WeakPolarHBondContact O-CB 3.4Å; S100-E103 PolarHBondContact O-N 3.47Å; S100-E103 VanDerWaalsContact OG-CG 3.3Å; S100-E103 WeakPolarHBondContact OG-CG 3.3Å; S100-E103 PolarHBondContact OG-N 3.07Å; S100-E103 PolarHBondContact OG-OE2 3.37Å; S100-Q104 WeakPolarHBondContact O-CG 3.38Å; S100-Q104 PolarHBondContact O-N 2.97Å |
| 101 | Q | 92 | Very high | 89.7 | Confident | 155 Ų | 155 | 94.4 Ų | 94.4 | 72% | 0.724 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -56.9 | -35.1 | -179.3 | -168.5 | -179.3 | 19.5 | 0 | 0 | 112.5 | Q104 L105 | Q101-Q104 PolarHBondContact O-N 2.98Å; Q101-L105 WeakPolarHBondContact O-CG 3.45Å; Q101-L105 PolarHBondContact O-N 2.7Å |
| 102 | S | 92 | Very high | 89.7 | Confident | 83 Ų | 83 | 97.1 Ų | 97.1 | 58% | 0.58 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67 | -41.1 | 175.3 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | S100 Q104 L105 A106 | S100-S102 PolarHBondContact O-N 2.95Å; S100-S102 PolarHBondContact OG-OG 2.94Å; S102-Q104 VanDerWaalsContact C-N 3.33Å; S102-L105 PolarHBondContact O-N 3.18Å; S102-A106 WeakPolarHBondContact O-CB 3.45Å; S102-A106 PolarHBondContact O-N 3.4Å |
| 103 | E | 93.7 | Very high | 89.3 | Confident | 67 Ų | 67 | 98.4 Ų | 98.4 | 31% | 0.313 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -36.8 | 174.4 | -73.6 | 169.1 | 126.8 | 0 | 0 | 111.7 | R94 L99 S100 A106 R107 | R94-E103 IonicContact NH1-OE1 3Å; R94-E103 PolarHBondContact NH1-OE1 2.99Å; L99-E103 WeakPolarHBondContact CA-OE2 3.32Å; L99-E103 HydrophobicContact CB-CB 4.01Å; L99-E103 HydrophobicContact CD2-CB 4.07Å; L99-E103 HydrophobicContact CG-CB 4.49Å; S100-E103 WeakPolarHBondContact CB-OE2 3.46Å; S100-E103 PolarHBondContact N-OE2 2.97Å; S100-E103 WeakPolarHBondContact O-CB 3.4Å; S100-E103 PolarHBondContact O-N 3.47Å; S100-E103 VanDerWaalsContact OG-CG 3.3Å; S100-E103 WeakPolarHBondContact OG-CG 3.3Å; S100-E103 PolarHBondContact OG-N 3.07Å; S100-E103 PolarHBondContact OG-OE2 3.37Å; E103-A106 PolarHBondContact O-N 3.33Å; E103-R107 VanDerWaalsContact O-CB 3.3Å; E103-R107 WeakPolarHBondContact O-CB 3.44Å; E103-R107 PolarHBondContact O-N 3.02Å |
| 104 | Q | 93.1 | Very high | 88.7 | Confident | 101 Ų | 101 | 93.7 Ų | 93.7 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 174.5 | -66.3 | -178.9 | 13.7 | 0 | 0 | 111.6 | L99 S100 Q101 S102 R107 W108 | L99-Q104 HydrophobicContact CB-CG 3.89Å; L99-Q104 PolarHBondContact O-NE2 3.48Å; L99-Q104 VanDerWaalsContact O-NE2 3.09Å; S100-Q104 WeakPolarHBondContact O-CG 3.38Å; S100-Q104 PolarHBondContact O-N 2.97Å; Q101-Q104 PolarHBondContact O-N 2.98Å; S102-Q104 VanDerWaalsContact C-N 3.33Å; Q104-R107 PolarHBondContact O-N 2.66Å; Q104-W108 WeakPolarHBondContact O-CB 2.99Å; Q104-W108 PolarHBondContact O-N 3.27Å |
| 105 | L | 92.1 | Very high | 88.4 | Confident | 105 Ų | 105 | 89.1 Ų | 89.1 | 55% | 0.55 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 175.8 | -74 | 171.5 | 0 | 0 | 0 | 112.5 | Q101 S102 W108 S109 | Q101-L105 WeakPolarHBondContact O-CG 3.45Å; Q101-L105 PolarHBondContact O-N 2.7Å; S102-L105 PolarHBondContact O-N 3.18Å; L105-W108 PolarHBondContact O-N 3.39Å; L105-S109 WeakPolarHBondContact O-CB 3.41Å; L105-S109 PolarHBondContact O-N 3.47Å; L105-S109 PolarHBondContact O-OG 3.4Å |
| 106 | A | 90.3 | Very high | 87.5 | Confident | 61 Ų | 61 | 87.5 Ų | 87.5 | 50% | 0.504 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S102 E103 W108 S109 A110 | S102-A106 WeakPolarHBondContact O-CB 3.45Å; S102-A106 PolarHBondContact O-N 3.4Å; E103-A106 PolarHBondContact O-N 3.33Å; A106-W108 VanDerWaalsContact C-N 3.34Å; A106-W108 PolarHBondContact O-N 2.99Å; A106-S109 PolarHBondContact O-N 3.27Å; A106-A110 WeakPolarHBondContact O-CB 3.5Å; A106-A110 PolarHBondContact O-N 3.37Å |
| 107 | R | 91.6 | Very high | 86.8 | Confident | 84 Ų | 84 | 91.9 Ų | 91.9 | 32% | 0.317 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 176.2 | -169.2 | 177.5 | -172.6 | -176.7 | 5.4 | 112.1 | E103 Q104 R111 | E103-R107 VanDerWaalsContact O-CB 3.3Å; E103-R107 WeakPolarHBondContact O-CB 3.44Å; E103-R107 PolarHBondContact O-N 3.02Å; Q104-R107 PolarHBondContact O-N 2.66Å; R107-R111 WeakPolarHBondContact O-CG 3.47Å; R107-R111 PolarHBondContact O-N 3.02Å |
| 108 | W | 91.4 | Very high | 85.7 | Confident | 156 Ų | 156 | 95.4 Ų | 95.4 | 59% | 0.591 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.1 | -42.9 | 176.5 | -172.7 | 86.3 | 0 | 0 | 0 | 111.9 | Q104 L105 A106 R111 R112 | Q104-W108 WeakPolarHBondContact O-CB 2.99Å; Q104-W108 PolarHBondContact O-N 3.27Å; L105-W108 PolarHBondContact O-N 3.39Å; A106-W108 VanDerWaalsContact C-N 3.34Å; A106-W108 PolarHBondContact O-N 2.99Å; W108-R111 PolarHBondContact O-N 2.92Å; W108-R112 PolarHBondContact O-N 3.08Å; W108-R112 VanDerWaalsContact O-N 3.08Å |
| 109 | S | 89 | Confident | 84.7 | Confident | 57 Ų | 57 | 98.4 Ų | 98.4 | 40% | 0.399 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 177.4 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | L105 A106 R111 R112 E113 | L105-S109 WeakPolarHBondContact O-CB 3.41Å; L105-S109 PolarHBondContact O-N 3.47Å; L105-S109 PolarHBondContact O-OG 3.4Å; A106-S109 PolarHBondContact O-N 3.27Å; S109-R111 VanDerWaalsContact C-N 3.35Å; S109-R111 PolarHBondContact O-N 3.35Å; S109-R112 PolarHBondContact O-N 3.5Å; S109-E113 PolarHBondContact O-N 3.46Å |
| 110 | A | 88.4 | Confident | 83 | Confident | 60 Ų | 60 | 103.6 Ų | 103.6 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A106 E113 E114 | A106-A110 WeakPolarHBondContact O-CB 3.5Å; A106-A110 PolarHBondContact O-N 3.37Å; A110-E113 PolarHBondContact O-N 3.05Å; A110-E114 PolarHBondContact O-N 3.07Å; A110-E114 VanDerWaalsContact O-N 3.09Å |
| 111 | R | 89.3 | Confident | 81.2 | Confident | 157 Ų | 157 | 110.3 Ų | 110.3 | 59% | 0.592 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.8 | -38.6 | 175 | -72.9 | -178 | -163.8 | -111.8 | 7.9 | 112.4 | R107 W108 S109 E113 E114 G115 | R107-R111 WeakPolarHBondContact O-CG 3.47Å; R107-R111 PolarHBondContact O-N 3.02Å; W108-R111 PolarHBondContact O-N 2.92Å; S109-R111 VanDerWaalsContact C-N 3.35Å; S109-R111 PolarHBondContact O-N 3.35Å; R111-E113 VanDerWaalsContact C-N 3.35Å; R111-E114 PolarHBondContact O-N 3.42Å; R111-G115 PolarHBondContact O-N 2.92Å; R111-G115 VanDerWaalsContact O-N 3.16Å |
| 112 | R | 83.9 | Confident | 79.5 | Confident | 176 Ų | 176 | 108.1 Ų | 108.1 | 66% | 0.664 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.2 | -39.5 | 178.7 | -169.9 | 179.8 | 180 | -177.1 | 1.3 | 111.7 | W108 S109 G115 A116 | W108-R112 PolarHBondContact O-N 3.08Å; W108-R112 VanDerWaalsContact O-N 3.08Å; S109-R112 PolarHBondContact O-N 3.5Å; R112-G115 PolarHBondContact O-N 3.3Å; R112-A116 PolarHBondContact O-N 2.9Å |
| 113 | E | 80.3 | Confident | 77.6 | Confident | 130 Ų | 130 | 107.9 Ų | 107.9 | 61% | 0.607 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67 | -37.3 | 173.7 | -68.9 | -169.2 | 165.3 | 0 | 0 | 112 | S109 A110 R111 G115 A116 W117 | S109-E113 PolarHBondContact O-N 3.46Å; A110-E113 PolarHBondContact O-N 3.05Å; R111-E113 VanDerWaalsContact C-N 3.35Å; E113-G115 VanDerWaalsContact C-N 3.29Å; E113-G115 PolarHBondContact O-N 3.39Å; E113-A116 PolarHBondContact O-N 3.44Å; E113-A116 VanDerWaalsContact O-N 3.17Å; E113-W117 VanDerWaalsContact O-CD1 3.26Å; E113-W117 PolarHBondContact O-N 3Å |
| 114 | E | 75 | Confident | 75.3 | Confident | 65 Ų | 65 | 112.7 Ų | 112.7 | 30% | 0.304 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.2 | -33.9 | 178.2 | -146 | -175.9 | -137.3 | 0 | 0 | 112.4 | R88 A110 R111 W117 R118 | R88-E114 IonicContact CZ-OE1 3.82Å; R88-E114 IonicContact NH1-OE1 3.57Å; R88-E114 IonicContact NH2-OE1 2.88Å; R88-E114 PolarHBondContact NH2-OE1 3.04Å; A110-E114 PolarHBondContact O-N 3.07Å; A110-E114 VanDerWaalsContact O-N 3.09Å; R111-E114 PolarHBondContact O-N 3.42Å; E114-W117 PolarHBondContact O-N 3.44Å; E114-R118 WeakPolarHBondContact O-CG 3.41Å; E114-R118 PolarHBondContact O-N 3.01Å; E114-R118 IonicContact OE1-NH2 3.81Å; E114-R118 IonicContact OE2-CZ 3.93Å; E114-R118 IonicContact OE2-NH2 2.9Å; E114-R118 PolarHBondContact OE2-NH2 2.95Å |
| 115 | G | 80.6 | Confident | 72.7 | Confident | 31 Ų | 31 | 113.1 Ų | 113.1 | 32% | 0.32 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.9 | -48.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R111 R112 E113 W117 R118 D119 | R111-G115 PolarHBondContact O-N 2.92Å; R111-G115 VanDerWaalsContact O-N 3.16Å; R112-G115 PolarHBondContact O-N 3.3Å; E113-G115 VanDerWaalsContact C-N 3.29Å; E113-G115 PolarHBondContact O-N 3.39Å; G115-W117 VanDerWaalsContact C-N 3.31Å; G115-W117 PolarHBondContact O-N 2.82Å; G115-R118 PolarHBondContact O-N 3.36Å; G115-D119 PolarHBondContact O-N 2.95Å; G115-D119 VanDerWaalsContact O-N 3.07Å |
| 116 | A | 70.6 | Confident | 70.4 | Confident | 60 Ų | 60 | 116.3 Ų | 116.3 | 50% | 0.496 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.1 | -36.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | R112 E113 H120 | R112-A116 PolarHBondContact O-N 2.9Å; E113-A116 PolarHBondContact O-N 3.44Å; E113-A116 VanDerWaalsContact O-N 3.17Å; A116-H120 WeakPolarHBondContact O-CB 3.43Å; A116-H120 PolarHBondContact O-N 3.29Å |
| 117 | W | 66.2 | Low | 68 | Low | 164 Ų | 164 | 118.7 Ų | 118.7 | 62% | 0.621 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.8 | -30.4 | 176.3 | -85.6 | 99.7 | 0 | 0 | 0 | 113.8 | E113 E114 G115 R121 | E113-W117 VanDerWaalsContact O-CD1 3.26Å; E113-W117 PolarHBondContact O-N 3Å; E114-W117 PolarHBondContact O-N 3.44Å; G115-W117 VanDerWaalsContact C-N 3.31Å; G115-W117 PolarHBondContact O-N 2.82Å; W117-R121 PolarHBondContact O-N 3.16Å |
| 118 | R | 67.9 | Low | 65.3 | Low | 157 Ų | 157 | 119.5 Ų | 119.5 | 59% | 0.592 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.3 | -43.2 | 174.1 | -77.4 | -179 | -145.7 | -112.1 | 2.4 | 111.3 | E114 G115 H120 R121 S122 | E114-R118 WeakPolarHBondContact O-CG 3.41Å; E114-R118 PolarHBondContact O-N 3.01Å; E114-R118 IonicContact OE1-NH2 3.81Å; E114-R118 IonicContact OE2-CZ 3.93Å; E114-R118 IonicContact OE2-NH2 2.9Å; E114-R118 PolarHBondContact OE2-NH2 2.95Å; G115-R118 PolarHBondContact O-N 3.36Å; R118-H120 VanDerWaalsContact C-N 3.26Å; R118-H120 PolarHBondContact O-N 2.92Å; R118-R121 PolarHBondContact O-N 2.88Å; R118-R121 VanDerWaalsContact O-N 3.13Å; R118-S122 PolarHBondContact O-N 3.22Å |
| 119 | D | 66.8 | Low | 62.6 | Low | 122 Ų | 122 | 117.8 Ų | 117.8 | 65% | 0.652 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.3 | -38.8 | 176.8 | -66.3 | -19.6 | 0 | 0 | 0 | 111.1 | G115 R121 S122 A123 | G115-D119 PolarHBondContact O-N 2.95Å; G115-D119 VanDerWaalsContact O-N 3.07Å; D119-R121 VanDerWaalsContact C-N 3.32Å; D119-R121 PolarHBondContact O-N 3.3Å; D119-S122 PolarHBondContact O-N 3.37Å; D119-A123 PolarHBondContact O-N 3.42Å |
| 120 | H | 57.1 | Low | 60.2 | Low | 131 Ų | 131 | 125.8 Ų | 125.8 | 61% | 0.606 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.5 | -23.7 | 178.8 | -136.7 | -46.3 | 0 | 0 | 0 | 114.2 | A116 R118 | A116-H120 WeakPolarHBondContact O-CB 3.43Å; A116-H120 PolarHBondContact O-N 3.29Å; R118-H120 VanDerWaalsContact C-N 3.26Å; R118-H120 PolarHBondContact O-N 2.92Å |
| 121 | R | 54.7 | Low | 57.9 | Low | 195 Ų | 195 | 130.2 Ų | 130.2 | 74% | 0.736 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -85.8 | -28.6 | 174.6 | -98.2 | -171.6 | -102.9 | -139.4 | -3.6 | 112.9 | W117 R118 D119 A123 | W117-R121 PolarHBondContact O-N 3.16Å; R118-R121 PolarHBondContact O-N 2.88Å; R118-R121 VanDerWaalsContact O-N 3.13Å; D119-R121 VanDerWaalsContact C-N 3.32Å; D119-R121 PolarHBondContact O-N 3.3Å; R121-A123 PolarHBondContact O-N 2.98Å |
| 122 | S | 55.1 | Low | 55.4 | Low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -73.4 | -14.6 | 176 | -162.4 | 0 | 0 | 0 | 0 | 113.3 | R118 D119 | R118-S122 PolarHBondContact O-N 3.22Å; D119-S122 PolarHBondContact O-N 3.37Å |
| 123 | A | 51.8 | Low | 53.3 | Low | 78 Ų | 78 | 126 Ų | 126 | 65% | 0.645 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 19.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D119 R121 | D119-A123 PolarHBondContact O-N 3.42Å; R121-A123 PolarHBondContact O-N 2.98Å |
| 124 | K | 47.1 | Very low | 51.4 | Low | 169 Ų | 169 | 131 Ų | 131 | 74% | 0.735 | 70% | 0.697 | S | S | * | * | | | trans | -131.1 | 82.9 | -179.9 | -72.6 | -173.1 | 178.5 | -178.1 | 0 | 113.1 | | |
| 125 | S | 38.5 | Very low | 49.7 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | | | trans | -129.5 | 84.7 | 156.7 | 62.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 126 | L | 42.7 | Very low | 47.8 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | | | trans | -141.7 | 142.3 | 164.3 | -78.2 | 179.3 | 0 | 0 | 0 | 110.1 | | |
| 127 | P | 39.5 | Very low | 46.3 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | -81 | 157.9 | -159.7 | 33.3 | -34.8 | 0 | 0 | 0 | 113 | C129 | P127-C129 PolarHBondContact O-N 3.49Š|
| 128 | A | 35.7 | Very low | 45.2 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | -62.9 | 117.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 129 | C | 33.7 | Very low | 43.8 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -96.4 | 86.9 | 160.5 | -73.2 | 0 | 0 | 0 | 0 | 109.2 | P127 | P127-C129 PolarHBondContact O-N 3.49Š|
| 130 | R | 39.7 | Very low | 42.5 | Very low | 225 Ų | 225 | 141 Ų | 141 | 85% | 0.849 | 79% | 0.789 | S | S | * | * | | | trans | -64.8 | 137.7 | 140.4 | -77.6 | 173.8 | 166.4 | 160.3 | -4.7 | 105.6 | | |
| 131 | D | 39.6 | Very low | 41.8 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | 131.8 | 22.8 | 167.2 | -60.7 | -20.4 | 0 | 0 | 0 | 117.1 | | |
| 132 | V | 37.7 | Very low | 40.8 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -104.5 | -1.4 | 168.7 | -173.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 133 | S | 40.3 | Very low | 40 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -94 | 9.8 | -175.5 | -57.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 134 | R | 40.1 | Very low | 39.3 | Very low | 233 Ų | 233 | 142.6 Ų | 142.6 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -117.7 | 0.3 | -178.6 | -91.5 | -174.7 | -168.3 | 157.1 | 3.2 | 116.3 | | |
| 135 | A | 38.2 | Very low | 39 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -103 | 10.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 136 | L | 40.5 | Very low | 39.2 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -119.7 | 11 | -176.5 | -91.7 | 161 | 0 | 0 | 0 | 114.9 | | |
| 137 | D | 40.9 | Very low | 39.1 | Very low | 155 Ų | 155 | 144 Ų | 144 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -103 | 14.5 | -179.8 | -95.6 | -17.8 | 0 | 0 | 0 | 114.3 | | |
| 138 | Q | 42 | Very low | 39.5 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | | | trans | -127.9 | 69.3 | -179.9 | -65.7 | -177 | 11.2 | 0 | 0 | 111.6 | | |
| 139 | S | 39 | Very low | 39.9 | Very low | 112 Ų | 112 | 147.5 Ų | 147.5 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | | | trans | -165.3 | 85.4 | 159.4 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 140 | A | 38 | Very low | 40.1 | Very low | 96 Ų | 96 | 148.6 Ų | 148.6 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | | | trans | -78.3 | 117.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 141 | T | 43.1 | Very low | 40.5 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | | | trans | -179.4 | 118.6 | 139.4 | 24.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 142 | G | 34.6 | Very low | 41 | Very low | 73 Ų | 73 | 143.8 Ų | 143.8 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 91.9 | 116.6 | 148.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 143 | V | 38.2 | Very low | 42.3 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | | | trans | 80.4 | 92.1 | 158.5 | -163.3 | 0 | 0 | 0 | 0 | 116.8 | L145 | V143-L145 HydrophobicContact CG1-CD1 4.32Å; V143-L145 PolarHBondContact O-N 2.97Å |
| 144 | Q | 36.9 | Very low | 43.7 | Very low | 201 Ų | 201 | 138 Ų | 138 | 94% | 0.939 | 76% | 0.759 | S | S | * | * | | | trans | -73.1 | 111.8 | 162.3 | -75.1 | -151.6 | -7.1 | 0 | 0 | 110.8 | | |
| 145 | L | 40.7 | Very low | 44.8 | Very low | 155 Ų | 155 | 131.8 Ų | 131.8 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | | | trans | -99.6 | 109.8 | 162.6 | -118.3 | 122.6 | 0 | 0 | 0 | 109 | V143 R147 | V143-L145 HydrophobicContact CG1-CD1 4.32Å; V143-L145 PolarHBondContact O-N 2.97Å; L145-R147 PolarHBondContact O-N 3.21Å; L145-R147 VanDerWaalsContact O-N 3.16Å |
| 146 | A | 41.8 | Very low | 46.3 | Very low | 81 Ų | 81 | 132 Ų | 132 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | | | trans | -65.7 | 109.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K148 | A146-K148 PolarHBondContact O-N 3.48Š|
| 147 | R | 41.7 | Very low | 47.8 | Very low | 244 Ų | 244 | 131.9 Ų | 131.9 | 92% | 0.921 | 74% | 0.739 | S | S | * | * | | | trans | -71.8 | 103.2 | 164.4 | -79.5 | 179.1 | 166.1 | 173.8 | -3.1 | 109 | L145 | L145-R147 PolarHBondContact O-N 3.21Å; L145-R147 VanDerWaalsContact O-N 3.16Å |
| 148 | K | 46.7 | Very low | 49.6 | Very low | 194 Ų | 194 | 128.2 Ų | 128.2 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | | | trans | -95.8 | 105.4 | 167.8 | -72.8 | -178.7 | 178.3 | 177.9 | 0 | 109.3 | A146 | A146-K148 PolarHBondContact O-N 3.48Š|
| 149 | S | 44.3 | Very low | 50.1 | Low | 93 Ų | 93 | 124.8 Ų | 124.8 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | | | trans | -83 | 120.7 | 160.2 | 57.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 150 | L | 38.9 | Very low | 51.6 | Low | 141 Ų | 141 | 123.9 Ų | 123.9 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95 | 106.1 | 170.9 | -158.7 | 82.1 | 0 | 0 | 0 | 108.5 | | |
| 151 | T | 46.5 | Very low | 52.5 | Low | 89 Ų | 89 | 127 Ų | 127 | 55% | 0.546 | 70% | 0.703 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.9 | 110.4 | 172.6 | -34.5 | 0 | 0 | 0 | 0 | 107.5 | V162 | T151-V162 HydrophobicContact CG2-CG1 3.57Å |
| 152 | R | 50.4 | Low | 53.9 | Low | 189 Ų | 189 | 124.5 Ų | 124.5 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.8 | 115 | 172.9 | -163.2 | 174.8 | -175.8 | 179.3 | 0.3 | 108.3 | L163 | R152-L163 PolarHBondContact O-N 3.31Å |
| 153 | A | 65.2 | Low | 54.6 | Low | 64 Ų | 64 | 127.1 Ų | 127.1 | 53% | 0.529 | 68% | 0.683 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.7 | 132 | 170 | 0 | 0 | 0 | 0 | 0 | 108.6 | T160 | A153-T160 HydrophobicContact CB-CG2 4.21Å |
| 154 | T | 69.1 | Low | 55.3 | Low | 60 Ų | 60 | 125.2 Ų | 125.2 | 37% | 0.368 | 68% | 0.675 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.4 | 171.8 | 52.9 | 0 | 0 | 0 | 0 | 108.7 | R161 | T154-R161 PolarHBondContact N-O 3.08Å; T154-R161 VanDerWaalsContact N-O 3.13Å; T154-R161 PolarHBondContact O-N 3.17Å |
| 155 | T | 64.2 | Low | 55.5 | Low | 102 Ų | 102 | 119 Ų | 119 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.6 | 122 | 173.4 | 43.5 | 0 | 0 | 0 | 0 | 109.5 | E159 T160 | T155-E159 WeakPolarHBondContact CA-O 3.47Å; T155-T160 HydrophobicContact CG2-CG2 4.12Å; T155-T160 WeakPolarHBondContact CG2-OG1 3.46Å |
| 156 | V | 69.9 | Low | 55.7 | Low | 98 Ų | 98 | 121.9 Ų | 121.9 | 59% | 0.594 | 66% | 0.658 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.8 | 171.5 | -176.7 | 0 | 0 | 0 | 0 | 106.9 | G158 E159 | V156-G158 VanDerWaalsContact C-N 3.3Å; V156-G158 PolarHBondContact O-N 3.47Å; V156-E159 PolarHBondContact N-O 2.98Å; V156-E159 VanDerWaalsContact N-O 3.15Å; V156-E159 PolarHBondContact O-N 3.13Å; V156-E159 VanDerWaalsContact O-N 3.13Å |
| 157 | N | 71.2 | Confident | 55.6 | Low | 163 Ų | 163 | 125.6 Ų | 125.6 | 87% | 0.872 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.4 | 34.6 | -177.3 | -62.8 | -19.7 | 0 | 0 | 0 | 115.5 | E159 | N157-E159 PolarHBondContact O-N 3.4Š|
| 158 | G | 79.8 | Confident | 55.4 | Low | 78 Ų | 78 | 120.8 Ų | 120.8 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.6 | -0.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V156 | V156-G158 VanDerWaalsContact C-N 3.3Å; V156-G158 PolarHBondContact O-N 3.47Å |
| 159 | E | 51.6 | Low | 55 | Low | 115 Ų | 115 | 116.5 Ų | 116.5 | 54% | 0.537 | 65% | 0.651 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.4 | 123.1 | 170.7 | -71.4 | -169 | 161.3 | 0 | 0 | 111 | T155 V156 N157 R161 | T155-E159 WeakPolarHBondContact CA-O 3.47Å; V156-E159 PolarHBondContact N-O 2.98Å; V156-E159 VanDerWaalsContact N-O 3.15Å; V156-E159 PolarHBondContact O-N 3.13Å; V156-E159 VanDerWaalsContact O-N 3.13Å; N157-E159 PolarHBondContact O-N 3.4Å; E159-R161 PolarHBondContact O-N 3.09Å; E159-R161 IonicContact OE2-NE 3.68Å; E159-R161 IonicContact OE2-NH2 3.34Å; E159-R161 PolarHBondContact OE2-NH2 3.36Å |
| 160 | T | 71.4 | Confident | 54.7 | Low | 94 Ų | 94 | 119 Ų | 119 | 58% | 0.577 | 66% | 0.656 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.6 | 113.5 | 171.3 | -47.5 | 0 | 0 | 0 | 0 | 109.4 | A153 T155 | A153-T160 HydrophobicContact CB-CG2 4.21Å; T155-T160 HydrophobicContact CG2-CG2 4.12Å; T155-T160 WeakPolarHBondContact CG2-OG1 3.46Å |
| 161 | R | 56.7 | Low | 54.8 | Low | 161 Ų | 161 | 120.6 Ų | 120.6 | 61% | 0.608 | 66% | 0.659 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.8 | 128.9 | 171.3 | -65.8 | -172 | 176.1 | -171.2 | -0.2 | 109.8 | T154 E159 | T154-R161 PolarHBondContact N-O 3.08Å; T154-R161 VanDerWaalsContact N-O 3.13Å; T154-R161 PolarHBondContact O-N 3.17Å; E159-R161 PolarHBondContact O-N 3.09Å; E159-R161 IonicContact OE2-NE 3.68Å; E159-R161 IonicContact OE2-NH2 3.34Å; E159-R161 PolarHBondContact OE2-NH2 3.36Å |
| 162 | V | 71.8 | Confident | 54.5 | Low | 88 Ų | 88 | 124.1 Ų | 124.1 | 53% | 0.533 | 67% | 0.669 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 113.5 | 178.1 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | T151 | T151-V162 HydrophobicContact CG2-CG1 3.57Å |
| 163 | L | 50.4 | Low | 53.9 | Low | 127 Ų | 127 | 119.6 Ų | 119.6 | 67% | 0.665 | 67% | 0.672 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.3 | 113 | 169.3 | -77.7 | 166.4 | 0 | 0 | 0 | 108.8 | R152 | R152-L163 PolarHBondContact O-N 3.31Å |
| 164 | C | 52 | Low | 53 | Low | 93 Ų | 93 | 124 Ų | 124 | 63% | 0.628 | 69% | 0.687 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.9 | 106.3 | 168.8 | -75.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 165 | A | 41 | Very low | 51.8 | Low | 69 Ų | 69 | 126.4 Ų | 126.4 | 57% | 0.57 | 70% | 0.704 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 117.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 166 | W | 45.3 | Very low | 50.8 | Low | 216 Ų | 216 | 127.8 Ų | 127.8 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | | | trans | -92.8 | 108 | 166.5 | -93.2 | 51.7 | 0 | 0 | 0 | 108.8 | L168 | W166-L168 PolarHBondContact O-N 3.18Š|
| 167 | L | 38.4 | Very low | 49.6 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | | | trans | -85.6 | 103.3 | 167.1 | -86.3 | 156.4 | 0 | 0 | 0 | 108.4 | C169 | L167-C169 PolarHBondContact O-N 3.09Š|
| 168 | L | 38.5 | Very low | 48.2 | Very low | 142 Ų | 142 | 126 Ų | 126 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | | | trans | -84 | 101.3 | 162.8 | -92 | 154.5 | 0 | 0 | 0 | 107.9 | W166 L170 | W166-L168 PolarHBondContact O-N 3.18Å; L168-L170 PolarHBondContact O-N 3.41Å; L168-L170 VanDerWaalsContact O-N 3.14Å |
| 169 | C | 38 | Very low | 46.5 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 71% | 0.709 | 72% | 0.719 | S | S | * | * | | | trans | -71.5 | 100.7 | 167.7 | -67 | 0 | 0 | 0 | 0 | 109.3 | L167 H171 | L167-C169 PolarHBondContact O-N 3.09Å; C169-H171 PolarHBondContact O-N 3.47Å |
| 170 | L | 38.9 | Very low | 46.3 | Very low | 144 Ų | 144 | 127 Ų | 127 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | | | trans | -83.2 | 95 | 159.2 | -93.1 | 134.1 | 0 | 0 | 0 | 107.8 | L168 | L168-L170 PolarHBondContact O-N 3.41Å; L168-L170 VanDerWaalsContact O-N 3.14Å |
| 171 | H | 40 | Very low | 45 | Very low | 175 Ų | 175 | 126.3 Ų | 126.3 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | | | trans | -81.3 | 113.2 | 161.5 | -95.8 | -83.7 | 0 | 0 | 0 | 108.1 | C169 | C169-H171 PolarHBondContact O-N 3.47Š|
| 172 | H | 39.7 | Very low | 45.1 | Very low | 164 Ų | 164 | 122.6 Ų | 122.6 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | | | trans | -81.5 | 119.4 | 156.5 | -77.8 | 7.1 | 0 | 0 | 0 | 107.5 | | |
| 173 | A | 38.1 | Very low | 43.9 | Very low | 93 Ų | 93 | 121.8 Ų | 121.8 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -99.3 | 110.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 174 | D | 47.6 | Very low | 44 | Very low | 158 Ų | 158 | 124 Ų | 124 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | -75.2 | 132 | 163.3 | -75 | -39.7 | 0 | 0 | 0 | 109 | | |
| 175 | P | 42.9 | Very low | 44 | Very low | 110 Ų | 110 | 122.5 Ų | 122.5 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | | | trans | -97.9 | 170.2 | 154.2 | 33.4 | -21.3 | 0 | 0 | 0 | 109.6 | | |
| 176 | V | 43.9 | Very low | 44.5 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | | | trans | 96.1 | 90.7 | 165.1 | -167.5 | 0 | 0 | 0 | 0 | 115 | | |
| 177 | T | 45.3 | Very low | 44.7 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | | 164 | 101.8 | 102.4 | -53.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 178 | A | 40.9 | Very low | 45.2 | Very low | 96 Ų | 96 | 123 Ų | 123 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | | | trans | -93.7 | 153.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 179 | A | 44.4 | Very low | 46.1 | Very low | 104 Ų | 104 | 122 Ų | 122 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | 85.7 | 78.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 180 | A | 48.1 | Very low | 46.6 | Very low | 109 Ų | 109 | 122.6 Ų | 122.6 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | | | | -89 | 144.9 | 129.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 181 | G | 42.8 | Very low | 47.5 | Very low | 81 Ų | 81 | 124 Ų | 124 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | | | cis | 176 | 148.2 | 5.4 | 0 | 0 | 0 | 0 | 0 | 104.7 | | |
| 182 | G | 59.3 | Low | 47.7 | Very low | 83 Ų | 83 | 122.6 Ų | 122.6 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | | | trans | 177.1 | 84.2 | -180 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 183 | G | 46.5 | Very low | 48.4 | Very low | 70 Ų | 70 | 119.5 Ų | 119.5 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | trans | -81.5 | 154.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 184 | D | 53.1 | Low | 49.2 | Very low | 175 Ų | 175 | 120.2 Ų | 120.2 | 94% | 0.936 | 79% | 0.793 | S | S | * | * | | | | 172.6 | 141.5 | 104 | -99.8 | -22.7 | 0 | 0 | 0 | 111.2 | | |
| 185 | G | 52.2 | Low | 49.3 | Very low | 61 Ų | 61 | 117.5 Ų | 117.5 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | | | trans | 111.6 | 101.3 | 132.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 186 | R | 50.4 | Low | 49.6 | Very low | 240 Ų | 240 | 119.9 Ų | 119.9 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | | | trans | 77.4 | 139.2 | 134.3 | -63.3 | -176.7 | 173.1 | 148.3 | -1.3 | 117 | | |
| 187 | T | 49.7 | Very low | 49.5 | Very low | 122 Ų | 122 | 122.1 Ų | 122.1 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | cis | -173 | 145.4 | 5.6 | 10.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 188 | A | 49.1 | Very low | 49.5 | Very low | 92 Ų | 92 | 122.9 Ų | 122.9 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | | | trans | 66.5 | 140.5 | 140.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 189 | V | 56.8 | Low | 49.6 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | | | cis | -157.8 | 148.2 | 23.7 | 173.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 190 | P | 49.2 | Very low | 49.8 | Very low | 116 Ų | 116 | 125 Ų | 125 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | trans | -105.1 | 147.8 | 171.4 | 36.9 | -26.7 | 0 | 0 | 0 | 112.9 | | |
| 191 | L | 57.4 | Low | 49.8 | Very low | 173 Ų | 173 | 130.2 Ų | 130.2 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | | | trans | -144.1 | 111 | 161.3 | -73.6 | 176.1 | 0 | 0 | 0 | 110.2 | | |
| 192 | D | 45.3 | Very low | 50.3 | Low | 146 Ų | 146 | 132.7 Ų | 132.7 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | | | trans | -80.6 | -179.7 | 150.6 | -151.8 | 28.4 | 0 | 0 | 0 | 107 | | |
| 193 | P | 53.2 | Low | 50.2 | Low | 99 Ų | 99 | 135.3 Ų | 135.3 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | | | cis | -149.6 | 176.2 | 16.6 | 43.1 | -20.3 | 0 | 0 | 0 | 119.6 | | |
| 194 | S | 54.8 | Low | 50.3 | Low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | trans | 105.2 | 150.2 | 131.9 | -80.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 195 | P | 50.9 | Low | 50.1 | Low | 101 Ų | 101 | 142.3 Ų | 142.3 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | | | trans | -121.6 | 161.3 | -151.9 | 40.3 | -25.2 | 0 | 0 | 0 | 114 | | |
| 196 | L | 49.3 | Very low | 50.4 | Low | 160 Ų | 160 | 146.3 Ų | 146.3 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | | | trans | -156.8 | 114.9 | 156.7 | -69.1 | -177.3 | 0 | 0 | 0 | 110.5 | | |
| 197 | F | 41.7 | Very low | 50.7 | Low | 177 Ų | 177 | 141.5 Ų | 141.5 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | | 65.6 | 118 | 100.9 | -78.7 | -83.4 | 0 | 0 | 0 | 117.1 | | |
| 198 | L | 45.5 | Very low | 51.2 | Low | 144 Ų | 144 | 139 Ų | 139 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | | 156.2 | 113.8 | 112 | -80 | -178.8 | 0 | 0 | 0 | 113.8 | | |
| 199 | T | 41.2 | Very low | 51.5 | Low | 108 Ų | 108 | 140.2 Ų | 140.2 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | | | | 49.3 | 123.5 | 129.2 | 68 | 0 | 0 | 0 | 0 | 121.3 | | |
| 200 | T | 48.8 | Very low | 51.3 | Low | 137 Ų | 137 | 138.6 Ų | 138.6 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | | | | 174.3 | 130.8 | 99.7 | 33.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 201 | R | 48.7 | Very low | 51.6 | Low | 218 Ų | 218 | 141.1 Ų | 141.1 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | | | trans | 13.9 | 144.9 | 157.4 | -80.3 | 178.5 | 170.2 | 168.2 | -2.8 | 122.1 | | |
| 202 | P | 53.3 | Low | 51.5 | Low | 134 Ų | 134 | 139 Ų | 139 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | | | | -121 | 148.2 | 127 | 35.3 | -25.5 | 0 | 0 | 0 | 112.7 | | |
| 203 | E | 56.3 | Low | 52.1 | Low | 137 Ų | 137 | 141.1 Ų | 141.1 | 64% | 0.64 | 79% | 0.786 | S | S | * | * | | | trans | -107.6 | 156.2 | -171.7 | -146.4 | -171.2 | 124 | 0 | 0 | 111.3 | | |
| 204 | Q | 49.4 | Very low | 52.7 | Low | 155 Ų | 155 | 148.2 Ų | 148.2 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | | | trans | 69.9 | 103.3 | 159.3 | -53.6 | -171.7 | -10.7 | 0 | 0 | 117.7 | | |
| 205 | R | 48.9 | Very low | 52.5 | Low | 238 Ų | 238 | 147.6 Ų | 147.6 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | | | | 46.6 | 109.7 | 67.1 | -71.8 | -172.8 | 173.1 | 160.3 | -1.1 | 114.7 | | |
| 206 | T | 57.6 | Low | 53.4 | Low | 145 Ų | 145 | 153.6 Ų | 153.6 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | | | | -157.5 | 111 | 130 | -61.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 207 | V | 57.2 | Low | 54.6 | Low | 139 Ų | 139 | 152.1 Ų | 152.1 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 120.1 | 170.4 | 172.2 | 0 | 0 | 0 | 0 | 106.1 | | |
| 208 | G | 61.1 | Low | 55.8 | Low | 69 Ų | 69 | 153.8 Ų | 153.8 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -88 | 133.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 209 | P | 55.6 | Low | 57.2 | Low | 118 Ų | 118 | 152.8 Ų | 152.8 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 142.5 | 172.5 | 34.9 | -26.9 | 0 | 0 | 0 | 112 | | |
| 210 | A | 52.3 | Low | 58.4 | Low | 89 Ų | 89 | 156.7 Ų | 156.7 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | | | trans | 55.1 | 111.3 | 138.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 211 | D | 55.2 | Low | 59.2 | Low | 169 Ų | 169 | 157.4 Ų | 157.4 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | | | trans | -149.1 | 110.4 | 131.7 | -88.5 | -35.7 | 0 | 0 | 0 | 108.8 | | |
| 212 | S | 55.3 | Low | 59.6 | Low | 129 Ų | 129 | 150.5 Ų | 150.5 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | | | trans | -137.4 | 89.1 | 173.3 | -83.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 213 | E | 58.4 | Low | 60.2 | Low | 189 Ų | 189 | 153.3 Ų | 153.3 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | | | trans | -119.4 | 96.3 | 171.6 | -162.2 | 173.7 | -160.8 | 0 | 0 | 108.3 | | |
| 214 | R | 65.4 | Low | 60.7 | Low | 248 Ų | 248 | 154.8 Ų | 154.8 | 94% | 0.936 | 83% | 0.834 | S | S | * | * | | | trans | -123.7 | 94.6 | 161 | -85.6 | -168.2 | 176.7 | -147.1 | -0.1 | 108.2 | R216 | R214-R216 PolarHBondContact O-N 2.9Š|
| 215 | A | 50.7 | Low | 61.3 | Low | 95 Ų | 95 | 153.1 Ų | 153.1 | 79% | 0.785 | 84% | 0.838 | S | S | * | * | | | trans | -58.6 | 115.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 216 | R | 70.2 | Confident | 61.6 | Low | 227 Ų | 227 | 150 Ų | 150 | 86% | 0.857 | 84% | 0.836 | S | S | * | * | | | trans | -120 | 105.2 | 164.2 | -112.2 | -175.8 | 178.9 | -169.7 | -0.4 | 107.5 | R214 Y218 | R214-R216 PolarHBondContact O-N 2.9Å; R216-Y218 PolarHBondContact O-N 2.88Å |
| 217 | C | 73.5 | Confident | 61.5 | Low | 129 Ų | 129 | 148.1 Ų | 148.1 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 120.2 | 170.5 | -61.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 218 | Y | 66.7 | Low | 61.6 | Low | 213 Ų | 213 | 152.7 Ų | 152.7 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 134.4 | 158 | -93.3 | -93.6 | 0 | 0 | 0 | 108.4 | R216 K220 | R216-Y218 PolarHBondContact O-N 2.88Å; Y218-K220 PolarHBondContact O-N 3.19Å |
| 219 | P | 76.2 | Confident | 61.2 | Low | 122 Ų | 122 | 155.9 Ų | 155.9 | 79% | 0.792 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -72 | 125.2 | 167.9 | 27.9 | -28.8 | 0 | 0 | 0 | 109.6 | | |
| 220 | K | 64.9 | Low | 61.7 | Low | 191 Ų | 191 | 159.6 Ų | 159.6 | 83% | 0.83 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 130.7 | 172.2 | -81.4 | -175 | 171.1 | -173.7 | 0 | 110.6 | Y218 | Y218-K220 PolarHBondContact O-N 3.19Š|
| 221 | D | 67.4 | Low | 61.8 | Low | 151 Ų | 151 | 160 Ų | 160 | 81% | 0.807 | 84% | 0.835 | S | S | * | * | | | trans | 35.8 | 108.4 | 138.3 | -53.9 | -39.9 | 0 | 0 | 0 | 119.1 | | |
| 222 | G | 56.8 | Low | 61.9 | Low | 73 Ų | 73 | 160.5 Ų | 160.5 | 75% | 0.753 | 83% | 0.832 | S | S | * | * | | | | 82 | 81 | 113.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 223 | E | 65.3 | Low | 61.8 | Low | 193 Ų | 193 | 163.8 Ų | 163.8 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | | | trans | -134.1 | 95.9 | 145.7 | -71.3 | -166.8 | 171.5 | 0 | 0 | 109.9 | | |
| 224 | L | 66.1 | Low | 61.9 | Low | 168 Ų | 168 | 161.1 Ų | 161.1 | 88% | 0.88 | 83% | 0.83 | S | S | * | * | | | trans | -82.3 | 103.6 | 166.5 | -102.6 | 142.4 | 0 | 0 | 0 | 108 | M226 | L224-M226 PolarHBondContact O-N 3.04Å; L224-M226 VanDerWaalsContact O-N 3.09Å |
| 225 | C | 63 | Low | 61 | Low | 120 Ų | 120 | 157.9 Ų | 157.9 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | | | trans | -69.9 | 100 | 165.8 | -83.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 226 | M | 53.9 | Low | 61.1 | Low | 174 Ų | 174 | 159.6 Ų | 159.6 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | | | trans | -76.7 | 112.3 | 162.1 | -64.2 | -170.5 | 80.2 | 0 | 0 | 109.4 | L224 | L224-M226 PolarHBondContact O-N 3.04Å; L224-M226 VanDerWaalsContact O-N 3.09Å |
| 227 | S | 56.9 | Low | 60.6 | Low | 105 Ų | 105 | 157.4 Ų | 157.4 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | | | trans | -159.2 | 126.2 | 153.6 | 29.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 228 | R | 58.3 | Low | 59.3 | Low | 234 Ų | 234 | 157.9 Ų | 157.9 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | | | trans | 94.6 | 82.6 | 160.3 | -62 | -179.2 | 164.7 | -170.4 | -5.4 | 118.2 | | |
| 229 | T | 52.5 | Low | 58.7 | Low | 136 Ų | 136 | 159 Ų | 159 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | | | | -16.8 | 132.6 | 125.3 | 25 | 0 | 0 | 0 | 0 | 115.7 | | |
| 230 | K | 67.2 | Low | 57.1 | Low | 196 Ų | 196 | 158.4 Ų | 158.4 | 85% | 0.852 | 83% | 0.831 | S | S | * | * | | | | 170.1 | 170.5 | 103.7 | -122.2 | -169.2 | -179.5 | -178 | 0 | 111.1 | | |
| 231 | P | 54.9 | Low | 56.2 | Low | 97 Ų | 97 | 152.3 Ų | 152.3 | 63% | 0.63 | 82% | 0.822 | S | S | * | * | | | | -126.3 | -178.4 | -104 | 42.4 | -25.1 | 0 | 0 | 0 | 114.1 | | |
| 232 | E | 55.7 | Low | 55.3 | Low | 181 Ų | 181 | 151.1 Ų | 151.1 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | | | trans | 70.4 | 84.3 | 146.7 | -152.8 | 169.2 | -157.6 | 0 | 0 | 117.1 | | |
| 233 | E | 53.8 | Low | 55.3 | Low | 197 Ų | 197 | 154.9 Ų | 154.9 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | | | trans | -121.1 | 123.2 | 155.6 | -74.7 | -169 | 169.1 | 0 | 0 | 111.2 | | |
| 234 | T | 60.3 | Low | 55.1 | Low | 134 Ų | 134 | 149.3 Ų | 149.3 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | -54.4 | 144.6 | -179 | 18 | 0 | 0 | 0 | 0 | 115.1 | V236 | T234-V236 PolarHBondContact O-N 3.06Š|
| 235 | L | 47.4 | Very low | 55.3 | Low | 180 Ų | 180 | 148.6 Ų | 148.6 | 94% | 0.942 | 79% | 0.794 | S | S | * | * | | | trans | -43.9 | 119.5 | 171.5 | -62.3 | 162.6 | 0 | 0 | 0 | 112.9 | | |
| 236 | V | 52.7 | Low | 55.6 | Low | 131 Ų | 131 | 148.6 Ų | 148.6 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | -113.2 | 117.4 | 159.7 | 178.1 | 0 | 0 | 0 | 0 | 107.4 | T234 V238 | T234-V236 PolarHBondContact O-N 3.06Å; V236-V238 PolarHBondContact O-N 3.01Å |
| 237 | E | 58.5 | Low | 56.5 | Low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | trans | -57.7 | 114.9 | 173.6 | -75.9 | -176.9 | 146.2 | 0 | 0 | 110.8 | R239 | E237-R239 PolarHBondContact O-N 2.7Å; E237-R239 VanDerWaalsContact O-N 3.09Å |
| 238 | V | 47.2 | Very low | 57.7 | Low | 139 Ų | 139 | 149.6 Ų | 149.6 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | | | trans | -73.7 | 98.2 | 171.6 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | V236 S240 | V236-V238 PolarHBondContact O-N 3.01Å; V238-S240 PolarHBondContact O-N 2.79Å |
| 239 | R | 53.1 | Low | 59 | Low | 235 Ų | 235 | 141.4 Ų | 141.4 | 89% | 0.887 | 75% | 0.749 | S | S | * | * | | | trans | -63.8 | 111.6 | 167.4 | -60.2 | 179.8 | 86.1 | 177.9 | 6.6 | 108.5 | E237 G241 | E237-R239 PolarHBondContact O-N 2.7Å; E237-R239 VanDerWaalsContact O-N 3.09Å; R239-G241 PolarHBondContact O-N 3.01Å |
| 240 | S | 44.2 | Very low | 60.4 | Low | 111 Ų | 111 | 139.4 Ų | 139.4 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | | | trans | -73.3 | 93.6 | 174.2 | 69.2 | 0 | 0 | 0 | 0 | 110.6 | V238 | V238-S240 PolarHBondContact O-N 2.79Š|
| 241 | G | 45.3 | Very low | 61.3 | Low | 63 Ų | 63 | 134.5 Ų | 134.5 | 65% | 0.649 | 72% | 0.716 | S | S | * | * | | | trans | -80.4 | 116.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | R239 D243 | R239-G241 PolarHBondContact O-N 3.01Å; G241-D243 PolarHBondContact O-N 2.86Å |
| 242 | V | 48.9 | Very low | 62.9 | Low | 125 Ų | 125 | 132.9 Ų | 132.9 | 76% | 0.758 | 71% | 0.706 | S | S | * | * | | | trans | -82.2 | 102.2 | 172.7 | -174.8 | 0 | 0 | 0 | 0 | 108 | V244 | V242-V244 HydrophobicContact CG1-CG2 3.99Å; V242-V244 PolarHBondContact O-N 3.5Å |
| 243 | D | 55.8 | Low | 64.6 | Low | 152 Ų | 152 | 128 Ų | 128 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | | | trans | -70.5 | 93.6 | 173.7 | -70.3 | -37 | 0 | 0 | 0 | 110.4 | G241 Q245 | G241-D243 PolarHBondContact O-N 2.86Å; D243-Q245 PolarHBondContact O-N 3.02Å |
| 244 | V | 61.1 | Low | 66.4 | Low | 77 Ų | 77 | 127.9 Ų | 127.9 | 47% | 0.467 | 68% | 0.677 | S | S | . | * | | | trans | -89.8 | 99 | 168.1 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | V242 I246 V265 | V242-V244 HydrophobicContact CG1-CG2 3.99Å; V242-V244 PolarHBondContact O-N 3.5Å; V244-I246 PolarHBondContact O-N 3.08Å; V244-V265 HydrophobicContact CG1-CG1 4.1Å |
| 245 | Q | 71.4 | Confident | 67.8 | Low | 152 Ų | 152 | 125.4 Ų | 125.4 | 71% | 0.71 | 66% | 0.658 | S | S | * | * | | | trans | -76.1 | 112.5 | 168.8 | -73.8 | -173.6 | 5.9 | 0 | 0 | 109.8 | D243 T247 | D243-Q245 PolarHBondContact O-N 3.02Å; Q245-T247 PolarHBondContact O-N 3.37Å |
| 246 | I | 69.5 | Low | 69.8 | Low | 121 Ų | 121 | 121.8 Ų | 121.8 | 62% | 0.621 | 65% | 0.654 | S | S | * | * | B | Isolated β-bridge | trans | -81.9 | 103.4 | 167.7 | -59.7 | 176.3 | 0 | 0 | 0 | 107.4 | V244 Y263 | V244-I246 PolarHBondContact O-N 3.08Å; I246-Y263 HydrophobicContact CG2-CD1 3.43Å; I246-Y263 VanDerWaalsContact CG2-CD1 3.43Å; I246-Y263 HydrophobicContact CG2-CE1 4.12Å; I246-Y263 HydrophobicContact CG2-CG 3.99Å |
| 247 | T | 73.1 | Confident | 71.6 | Confident | 77 Ų | 77 | 119.1 Ų | 119.1 | 47% | 0.472 | 65% | 0.653 | S | S | . | * | | | trans | -78.7 | 157.7 | 172.2 | -26.1 | 0 | 0 | 0 | 0 | 110.1 | Q245 | Q245-T247 PolarHBondContact O-N 3.37Š|
| 248 | R | 81.4 | Confident | 72.9 | Confident | 222 Ų | 222 | 114.7 Ų | 114.7 | 84% | 0.838 | 64% | 0.638 | S | S | * | * | | | trans | -40.3 | 144.3 | -175.8 | -66.2 | 179.7 | 179 | 177.6 | 0 | 113.5 | T250 | R248-T250 PolarHBondContact O-N 3.48Š|
| 249 | P | 85.5 | Confident | 74.9 | Confident | 62 Ų | 62 | 114.9 Ų | 114.9 | 40% | 0.403 | 62% | 0.624 | S | S | . | * | | | trans | -57.7 | 130.8 | -179.9 | 24.1 | -32.4 | 0 | 0 | 0 | 110.3 | F262 Y263 | P249-F262 CarbonylContact C-O 3.57Å; P249-F262 VanDerWaalsContact CA-O 3.31Å; P249-F262 WeakPolarHBondContact CA-O 3.47Å; P249-Y263 HydrophobicContact CB-CD1 4.18Å; P249-Y263 HydrophobicContact CB-CE1 3.86Å; P249-Y263 HydrophobicContact CG-CE1 4.15Å |
| 250 | T | 82.5 | Confident | 76.7 | Confident | 95 Ų | 95 | 106.8 Ų | 106.8 | 58% | 0.583 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -74.3 | -37 | -174.9 | -49.5 | 0 | 0 | 0 | 0 | 111.4 | R248 F262 P264 | R248-T250 PolarHBondContact O-N 3.48Å; T250-F262 PolarHBondContact N-O 3.26Å; T250-P264 WeakPolarHBondContact OG1-CD 3.39Å |
| 251 | F | 85.9 | Confident | 78.9 | Confident | 93 Ų | 93 | 105.2 Ų | 105.2 | 41% | 0.408 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -160.5 | 158.1 | 173 | 55.5 | -85.2 | 0 | 0 | 0 | 110.3 | F262 L301 | F251-F262 AromaticContact CD2-CD2 3.71Å; F251-F262 HydrophobicContact CD2-CD2 3.71Å; F251-F262 HydrophobicContact CD2-CE2 4.29Å; F251-F262 HydrophobicContact CD2-CG 4.5Å; F251-F262 HydrophobicContact CE1-CB 4.29Å; F251-F262 HydrophobicContact CE2-CB 4.28Å; F251-F262 AromaticContact CE2-CD2 3.23Å; F251-F262 HydrophobicContact CE2-CD2 3.23Å; F251-F262 AromaticContact CE2-CE2 3.66Å; F251-F262 HydrophobicContact CE2-CE2 3.66Å; F251-F262 AromaticContact CE2-CG 3.84Å; F251-F262 HydrophobicContact CE2-CG 3.84Å; F251-F262 HydrophobicContact CZ-CB 4.05Å; F251-F262 AromaticContact CZ-CD2 3.79Å; F251-F262 HydrophobicContact CZ-CD2 3.79Å; F251-F262 HydrophobicContact CZ-CE2 4.4Å; F251-F262 AromaticContact CZ-CG 3.88Å; F251-F262 HydrophobicContact CZ-CG 3.88Å; F251-F262 PolarHBondContact O-N 3.48Å; F251-L301 HydrophobicContact CZ-CD2 4.17Å |
| 252 | S | 88.3 | Confident | 81.1 | Confident | 62 Ų | 62 | 105.6 Ų | 105.6 | 43% | 0.434 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.8 | 132.9 | 172.6 | 65.2 | 0 | 0 | 0 | 0 | 110.6 | M260 | S252-M260 CarbonylContact C-O 3.52Å; S252-M260 VanDerWaalsContact CA-O 3.24Å; S252-M260 WeakPolarHBondContact CA-O 3.4Å |
| 253 | L | 90.8 | Very high | 83 | Confident | 80 Ų | 80 | 105 Ų | 105 | 42% | 0.419 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135.2 | 179.4 | -173.5 | 63.8 | 0 | 0 | 0 | 109.3 | I255 M260 F262 | L253-I255 HydrophobicContact CD2-CD1 3.72Å; L253-I255 HydrophobicContact CD2-CG1 4.12Å; L253-I255 HydrophobicContact CG-CD1 4.2Å; L253-I255 HydrophobicContact CG-CG1 4.03Å; L253-M260 PolarHBondContact N-O 3.38Å; L253-M260 PolarHBondContact O-N 3.16Å; L253-F262 HydrophobicContact CB-CE2 4.18Å |
| 254 | R | 91.4 | Very high | 84.5 | Confident | 193 Ų | 193 | 100.3 Ų | 100.3 | 73% | 0.728 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122 | 171.3 | -79.6 | -173.2 | -176.6 | 178.4 | 0.9 | 109.9 | V258 R259 | R254-V258 VanDerWaalsContact CA-O 3.29Å; R254-V258 WeakPolarHBondContact CA-O 3.29Å; R254-R259 HydrophobicContact CG-CB 4.23Å; R254-R259 HydrophobicContact CG-CG 4.38Å |
| 255 | I | 89.2 | Confident | 85.4 | Confident | 82 Ų | 82 | 101.3 Ų | 101.3 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 125.5 | 174.1 | -58.1 | 176.9 | 0 | 0 | 0 | 107.4 | L253 G257 V258 | L253-I255 HydrophobicContact CD2-CD1 3.72Å; L253-I255 HydrophobicContact CD2-CG1 4.12Å; L253-I255 HydrophobicContact CG-CD1 4.2Å; L253-I255 HydrophobicContact CG-CG1 4.03Å; I255-G257 PolarHBondContact O-N 2.98Å; I255-G257 VanDerWaalsContact O-N 3.16Å; I255-V258 PolarHBondContact N-O 3.02Å; I255-V258 WeakPolarHBondContact O-CB 3.35Å; I255-V258 PolarHBondContact O-N 3.34Å |
| 256 | A | 91 | Very high | 86 | Confident | 105 Ų | 105 | 101.2 Ų | 101.2 | 87% | 0.868 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 38.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V258 | A256-V258 PolarHBondContact O-N 3.49Š|
| 257 | G | 90.7 | Very high | 86.3 | Confident | 75 Ų | 75 | 105.9 Ų | 105.9 | 77% | 0.773 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -10.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | I255 | I255-G257 PolarHBondContact O-N 2.98Å; I255-G257 VanDerWaalsContact O-N 3.16Å |
| 258 | V | 84.9 | Confident | 85.4 | Confident | 88 Ų | 88 | 109.8 Ų | 109.8 | 53% | 0.533 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.6 | 128.3 | 177.1 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | R254 I255 A256 | R254-V258 VanDerWaalsContact CA-O 3.29Å; R254-V258 WeakPolarHBondContact CA-O 3.29Å; I255-V258 PolarHBondContact N-O 3.02Å; I255-V258 WeakPolarHBondContact O-CB 3.35Å; I255-V258 PolarHBondContact O-N 3.34Å; A256-V258 PolarHBondContact O-N 3.49Å |
| 259 | R | 89.3 | Confident | 84.3 | Confident | 143 Ų | 143 | 106.5 Ų | 106.5 | 54% | 0.54 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 113.2 | 176.5 | -173.8 | -177 | -176.9 | -167.2 | -0.1 | 110 | R254 | R254-R259 HydrophobicContact CG-CB 4.23Å; R254-R259 HydrophobicContact CG-CG 4.38Å |
| 260 | M | 89.6 | Confident | 83.3 | Confident | 65 Ų | 65 | 115 Ų | 115 | 32% | 0.32 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 138.9 | 169.5 | -67 | -174.7 | 176.2 | 0 | 0 | 110.3 | S252 L253 F262 | S252-M260 CarbonylContact C-O 3.52Å; S252-M260 VanDerWaalsContact CA-O 3.24Å; S252-M260 WeakPolarHBondContact CA-O 3.4Å; L253-M260 PolarHBondContact N-O 3.38Å; L253-M260 PolarHBondContact O-N 3.16Å; M260-F262 HydrophobicContact CB-CE2 4.22Å; M260-F262 HydrophobicContact CB-CZ 4.48Å |
| 261 | Q | 91.8 | Very high | 81.9 | Confident | 78 Ų | 78 | 113.8 Ų | 113.8 | 36% | 0.364 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.6 | 177.7 | -63.1 | -178.8 | 9.4 | 0 | 0 | 109.2 | Y263 | Q261-Y263 HydrophobicContact CB-CE2 3.84Å; Q261-Y263 PolarHBondContact OE1-OH 3.07Å |
| 262 | F | 90.3 | Very high | 80.3 | Confident | 71 Ų | 71 | 117.2 Ų | 117.2 | 31% | 0.311 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.8 | 128.7 | 179.4 | -62.5 | -88.9 | 0 | 0 | 0 | 109.7 | P249 T250 F251 L253 M260 | P249-F262 CarbonylContact C-O 3.57Å; P249-F262 VanDerWaalsContact CA-O 3.31Å; P249-F262 WeakPolarHBondContact CA-O 3.47Å; T250-F262 PolarHBondContact N-O 3.26Å; F251-F262 AromaticContact CD2-CD2 3.71Å; F251-F262 HydrophobicContact CD2-CD2 3.71Å; F251-F262 HydrophobicContact CD2-CE2 4.29Å; F251-F262 HydrophobicContact CD2-CG 4.5Å; F251-F262 HydrophobicContact CE1-CB 4.29Å; F251-F262 HydrophobicContact CE2-CB 4.28Å; F251-F262 AromaticContact CE2-CD2 3.23Å; F251-F262 HydrophobicContact CE2-CD2 3.23Å; F251-F262 AromaticContact CE2-CE2 3.66Å; F251-F262 HydrophobicContact CE2-CE2 3.66Å; F251-F262 AromaticContact CE2-CG 3.84Å; F251-F262 HydrophobicContact CE2-CG 3.84Å; F251-F262 HydrophobicContact CZ-CB 4.05Å; F251-F262 AromaticContact CZ-CD2 3.79Å; F251-F262 HydrophobicContact CZ-CD2 3.79Å; F251-F262 HydrophobicContact CZ-CE2 4.4Å; F251-F262 AromaticContact CZ-CG 3.88Å; F251-F262 HydrophobicContact CZ-CG 3.88Å; F251-F262 PolarHBondContact O-N 3.48Å; L253-F262 HydrophobicContact CB-CE2 4.18Å; M260-F262 HydrophobicContact CB-CE2 4.22Å; M260-F262 HydrophobicContact CB-CZ 4.48Å |
| 263 | Y | 90.5 | Very high | 77.9 | Confident | 112 Ų | 112 | 117.3 Ų | 117.3 | 44% | 0.439 | 61% | 0.611 | S | S | . | * | | | trans | -112.4 | 129.3 | 179.3 | -66.9 | -90.7 | 0 | 0 | 0 | 109.6 | I246 P249 Q261 V265 | I246-Y263 HydrophobicContact CG2-CD1 3.43Å; I246-Y263 VanDerWaalsContact CG2-CD1 3.43Å; I246-Y263 HydrophobicContact CG2-CE1 4.12Å; I246-Y263 HydrophobicContact CG2-CG 3.99Å; P249-Y263 HydrophobicContact CB-CD1 4.18Å; P249-Y263 HydrophobicContact CB-CE1 3.86Å; P249-Y263 HydrophobicContact CG-CE1 4.15Å; Q261-Y263 HydrophobicContact CB-CE2 3.84Å; Q261-Y263 PolarHBondContact OE1-OH 3.07Å; Y263-V265 PolarHBondContact O-N 3.49Å |
| 264 | P | 85.5 | Confident | 75.4 | Confident | 53 Ų | 53 | 121.1 Ų | 121.1 | 34% | 0.344 | 63% | 0.632 | S | S | . | * | | | trans | -72.2 | 126.9 | 171.8 | 29.9 | -29 | 0 | 0 | 0 | 108.6 | T250 | T250-P264 WeakPolarHBondContact OG1-CD 3.39Š|
| 265 | V | 81.4 | Confident | 72.9 | Confident | 98 Ų | 98 | 116.8 Ų | 116.8 | 59% | 0.594 | 64% | 0.637 | S | S | * | * | B | Isolated β-bridge | trans | -98.3 | 104.5 | 172.3 | -178 | 0 | 0 | 0 | 0 | 107.8 | V244 Y263 R267 | V244-V265 HydrophobicContact CG1-CG1 4.1Å; Y263-V265 PolarHBondContact O-N 3.49Å; V265-R267 HydrophobicContact CG1-CG 4.49Å |
| 266 | K | 83.1 | Confident | 70.6 | Confident | 151 Ų | 151 | 121.6 Ų | 121.6 | 66% | 0.657 | 66% | 0.66 | S | S | * | * | | | trans | -89.6 | 105.2 | 173.8 | -166.5 | 173 | -175.9 | 178.1 | 0 | 108.5 | | |
| 267 | R | 76.9 | Confident | 67.9 | Low | 218 Ų | 218 | 122.4 Ų | 122.4 | 82% | 0.823 | 66% | 0.66 | S | S | * | * | | | trans | -82.4 | 117.7 | 166.4 | -72.4 | -172.3 | 178.8 | -179.1 | 0.3 | 108.6 | V265 | V265-R267 HydrophobicContact CG1-CG 4.49Š|
| 268 | M | 53.9 | Low | 65.3 | Low | 159 Ų | 159 | 124.4 Ų | 124.4 | 78% | 0.783 | 66% | 0.661 | S | S | * | * | | | trans | -89.4 | 106 | 166.3 | -109.5 | 170.9 | 47.5 | 0 | 0 | 108 | R270 | M268-R270 PolarHBondContact O-N 3.33Š|
| 269 | I | 58.4 | Low | 63.2 | Low | 154 Ų | 154 | 125.3 Ų | 125.3 | 79% | 0.79 | 67% | 0.672 | S | S | * | * | | | trans | -83.9 | 108.7 | 163.4 | -59 | 176.1 | 0 | 0 | 0 | 105.8 | G271 | I269-G271 PolarHBondContact O-N 3.17Š|
| 270 | R | 64.8 | Low | 60.4 | Low | 241 Ų | 241 | 127.5 Ų | 127.5 | 91% | 0.909 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 108 | 176.6 | -150.3 | 176 | -173.2 | 170.6 | 0.6 | 106.9 | M268 | M268-R270 PolarHBondContact O-N 3.33Š|
| 271 | G | 52.5 | Low | 57.8 | Low | 68 Ų | 68 | 129.6 Ų | 129.6 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 158.2 | -6.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | I269 | I269-G271 PolarHBondContact O-N 3.17Š|
| 272 | I | 51.1 | Low | 55 | Low | 165 Ų | 165 | 133.2 Ų | 133.2 | 85% | 0.846 | 72% | 0.72 | S | S | * | * | | | trans | -136.8 | 122.4 | 178 | -61.2 | 178.9 | 0 | 0 | 0 | 109 | | |
| 273 | G | 39.5 | Very low | 52.2 | Low | 65 Ų | 65 | 135.8 Ų | 135.8 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | | | trans | -59.2 | 148.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 274 | D | 38.1 | Very low | 49.4 | Very low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 52 | 104.6 | 165.2 | -59.3 | -19.3 | 0 | 0 | 0 | 118.4 | | |
| 275 | A | 38.1 | Very low | 47 | Very low | 101 Ų | 101 | 144 Ų | 144 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | 56.2 | 73.3 | 145.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 276 | M | 40.3 | Very low | 44.5 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | | | trans | -148.1 | 116.1 | 147.8 | -88.1 | -150.9 | -74 | 0 | 0 | 113 | S278 | M276-S278 PolarHBondContact O-N 3.34Š|
| 277 | S | 36.1 | Very low | 42.1 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | trans | -70.5 | 103.2 | 160.3 | 41.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 278 | S | 35.9 | Very low | 40 | Very low | 116 Ų | 116 | 144 Ų | 144 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | | | trans | -92 | 114.3 | 176.1 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | M276 | M276-S278 PolarHBondContact O-N 3.34Š|
| 279 | S | 39.7 | Very low | 39.3 | Very low | 108 Ų | 108 | 141 Ų | 141 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | | | trans | -102.9 | 112.6 | 168.7 | -53.9 | 0 | 0 | 0 | 0 | 108 | | |
| 280 | Y | 31.7 | Very low | 38.3 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 74% | 0.737 | 83% | 0.825 | S | S | * | * | | | trans | -74.7 | 123.7 | 179.2 | -173.9 | -102.5 | 0 | 0 | 0 | 111 | Q282 | Y280-Q282 HydrophobicContact CE1-CB 4.44Å; Y280-Q282 HydrophobicContact CE1-CG 3.72Å; Y280-Q282 WeakPolarHBondContact OH-CG 3.45Å; Y280-Q282 PolarHBondContact OH-NE2 2.93Å |
| 281 | S | 34.6 | Very low | 37.2 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | | | trans | -126.1 | 120.4 | 166.1 | 49.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 282 | Q | 33.3 | Very low | 36.8 | Very low | 155 Ų | 155 | 147.3 Ų | 147.3 | 72% | 0.724 | 83% | 0.825 | S | S | * | * | | | trans | -80.1 | 142.7 | 170.5 | -101.5 | 175.6 | 7.2 | 0 | 0 | 110.6 | Y280 | Y280-Q282 HydrophobicContact CE1-CB 4.44Å; Y280-Q282 HydrophobicContact CE1-CG 3.72Å; Y280-Q282 WeakPolarHBondContact OH-CG 3.45Å; Y280-Q282 PolarHBondContact OH-NE2 2.93Å |
| 283 | T | 30.1 | Very low | 36.4 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 77% | 0.767 | 82% | 0.821 | S | S | * | * | | | trans | -66.3 | 129.1 | -168 | 43.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 284 | L | 32.1 | Very low | 37.3 | Very low | 179 Ų | 179 | 148.7 Ų | 148.7 | 94% | 0.937 | 82% | 0.815 | S | S | * | * | | | trans | -117 | 131.2 | 144.5 | -87.8 | 170.1 | 0 | 0 | 0 | 108.4 | | |
| 285 | N | 35.2 | Very low | 38.8 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | trans | -63.6 | 143.2 | -166.8 | -74.1 | -42.7 | 0 | 0 | 0 | 114.5 | | |
| 286 | G | 29.5 | Very low | 40.2 | Very low | 70 Ų | 70 | 143.9 Ų | 143.9 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | trans | 77.3 | 95.4 | 139.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 287 | C | 33.2 | Very low | 41.7 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 93% | 0.932 | 77% | 0.765 | S | S | * | * | | | trans | -176.2 | 114.6 | 130.6 | -99.1 | 0 | 0 | 0 | 0 | 110.6 | A289 | C287-A289 PolarHBondContact O-N 3.34Š|
| 288 | R | 32.5 | Very low | 43.5 | Very low | 259 Ų | 259 | 135.5 Ų | 135.5 | 98% | 0.977 | 74% | 0.741 | S | S | * | * | | | trans | -73.9 | 115.7 | 168.1 | -87.1 | -179.2 | 176.5 | -171.5 | 0.1 | 108.8 | | |
| 289 | A | 39.6 | Very low | 45.3 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | | | trans | -148.5 | 123.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109 | C287 A291 | C287-A289 PolarHBondContact O-N 3.34Å; A289-A291 PolarHBondContact O-N 3.5Å |
| 290 | R | 36.2 | Very low | 47.3 | Very low | 261 Ų | 261 | 134.5 Ų | 134.5 | 99% | 0.985 | 71% | 0.713 | S | S | * | * | | | trans | -71.4 | 109.5 | 176.8 | -75.5 | 177.3 | 169.8 | 179.5 | -3.3 | 108.8 | | |
| 291 | A | 41.6 | Very low | 49.7 | Very low | 79 Ų | 79 | 129.8 Ų | 129.8 | 65% | 0.653 | 70% | 0.7 | S | S | * | * | | | trans | -145.8 | 143.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | A289 L293 | A289-A291 PolarHBondContact O-N 3.5Å; A291-L293 PolarHBondContact O-N 3.34Å; A291-L293 VanDerWaalsContact O-N 3.14Å |
| 292 | R | 45.4 | Very low | 52.2 | Low | 255 Ų | 255 | 128.3 Ų | 128.3 | 96% | 0.962 | 69% | 0.687 | S | S | * | * | | | trans | -45.3 | 114.5 | -172.9 | -70.4 | 175.6 | 172.4 | -135.9 | -0.6 | 111.5 | E294 | R292-E294 PolarHBondContact O-N 3.35Š|
| 293 | L | 41.7 | Very low | 54.7 | Low | 144 Ų | 144 | 123.1 Ų | 123.1 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | | | trans | -77.2 | 115.3 | -179.2 | -105.9 | 92.3 | 0 | 0 | 0 | 110.3 | A291 | A291-L293 PolarHBondContact O-N 3.34Å; A291-L293 VanDerWaalsContact O-N 3.14Å |
| 294 | E | 58.2 | Low | 57.5 | Low | 116 Ų | 116 | 120.2 Ų | 120.2 | 54% | 0.542 | 65% | 0.652 | S | S | . | * | | | trans | -55.7 | 145.9 | 157.2 | -75.2 | -66.6 | 129.2 | 0 | 0 | 110.2 | R292 Q299 | R292-E294 PolarHBondContact O-N 3.35Å; E294-Q299 PolarHBondContact O-NE2 3.49Å |
| 295 | P | 69.6 | Low | 60 | Low | 69 Ų | 69 | 114.2 Ų | 114.2 | 45% | 0.448 | 63% | 0.628 | S | S | . | * | | | trans | -54.9 | 141.4 | -179.3 | 16.8 | -26.7 | 0 | 0 | 0 | 111.3 | S297 V298 | P295-S297 PolarHBondContact O-N 2.98Å; P295-V298 HydrophobicContact CG-CG2 3.95Å; P295-V298 PolarHBondContact O-N 3.23Å |
| 296 | P | 68.3 | Low | 62.5 | Low | 91 Ų | 91 | 110.5 Ų | 110.5 | 59% | 0.591 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -53.1 | -29.4 | -172.4 | -26.6 | 32.1 | 0 | 0 | 0 | 114.5 | V298 Q299 I300 | P296-V298 VanDerWaalsContact C-N 3.33Å; P296-V298 PolarHBondContact O-N 3.43Å; P296-Q299 PolarHBondContact O-N 2.94Å; P296-I300 WeakPolarHBondContact O-CG1 3.48Å; P296-I300 PolarHBondContact O-N 3.3Å; P296-I300 VanDerWaalsContact O-N 3.13Å |
| 297 | S | 71.4 | Confident | 65.4 | Low | 73 Ų | 73 | 112.3 Ų | 112.3 | 51% | 0.51 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.6 | -36.9 | 177.1 | 51 | 0 | 0 | 0 | 0 | 113.1 | P295 L301 | P295-S297 PolarHBondContact O-N 2.98Å; S297-L301 WeakPolarHBondContact O-CD1 3.34Å; S297-L301 WeakPolarHBondContact O-CG 3.39Å; S297-L301 PolarHBondContact O-N 3.49Å; S297-L301 VanDerWaalsContact O-N 3.1Å |
| 298 | V | 73.7 | Confident | 67.9 | Low | 57 Ų | 57 | 109.2 Ų | 109.2 | 35% | 0.345 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.5 | -40.3 | -180 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | P295 P296 I300 L301 V302 | P295-V298 HydrophobicContact CG-CG2 3.95Å; P295-V298 PolarHBondContact O-N 3.23Å; P296-V298 VanDerWaalsContact C-N 3.33Å; P296-V298 PolarHBondContact O-N 3.43Å; V298-I300 VanDerWaalsContact C-N 3.34Å; V298-I300 PolarHBondContact O-N 3.46Å; V298-L301 PolarHBondContact O-N 3.32Å; V298-V302 HydrophobicContact CG1-CG2 4.39Å; V298-V302 VanDerWaalsContact O-CG2 3.29Å; V298-V302 WeakPolarHBondContact O-CG2 3.29Å; V298-V302 PolarHBondContact O-N 2.89Å |
| 299 | Q | 74 | Confident | 70.6 | Confident | 96 Ų | 96 | 101.7 Ų | 101.7 | 45% | 0.449 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63 | -41 | 177.4 | -60.6 | -174.6 | 25.5 | 0 | 0 | 111.8 | E294 P296 V302 A303 | E294-Q299 PolarHBondContact O-NE2 3.49Å; P296-Q299 PolarHBondContact O-N 2.94Å; Q299-V302 PolarHBondContact O-N 2.97Å; Q299-A303 WeakPolarHBondContact O-CB 3.33Å; Q299-A303 PolarHBondContact O-N 2.97Å |
| 300 | I | 82 | Confident | 73 | Confident | 107 Ų | 107 | 105.9 Ų | 105.9 | 55% | 0.549 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 176.5 | -65.9 | 166.2 | 0 | 0 | 0 | 110.9 | P296 V298 V302 A303 V304 | P296-I300 WeakPolarHBondContact O-CG1 3.48Å; P296-I300 PolarHBondContact O-N 3.3Å; P296-I300 VanDerWaalsContact O-N 3.13Å; V298-I300 VanDerWaalsContact C-N 3.34Å; V298-I300 PolarHBondContact O-N 3.46Å; I300-V302 VanDerWaalsContact C-N 3.35Å; I300-V302 PolarHBondContact O-N 2.99Å; I300-A303 PolarHBondContact O-N 3.38Å; I300-V304 HydrophobicContact CG2-CG2 4.36Å; I300-V304 VanDerWaalsContact O-CG2 3.31Å; I300-V304 WeakPolarHBondContact O-CG2 3.34Å; I300-V304 PolarHBondContact O-N 3.13Å |
| 301 | L | 82.4 | Confident | 75.4 | Confident | 88 Ų | 88 | 97 Ų | 97 | 46% | 0.461 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 177 | -83 | 159.2 | 0 | 0 | 0 | 112.1 | F251 S297 V298 V304 A305 | F251-L301 HydrophobicContact CZ-CD2 4.17Å; S297-L301 WeakPolarHBondContact O-CD1 3.34Å; S297-L301 WeakPolarHBondContact O-CG 3.39Å; S297-L301 PolarHBondContact O-N 3.49Å; S297-L301 VanDerWaalsContact O-N 3.1Å; V298-L301 PolarHBondContact O-N 3.32Å; L301-V304 PolarHBondContact O-N 3.29Å; L301-A305 WeakPolarHBondContact O-CB 3.3Å; L301-A305 PolarHBondContact O-N 3.07Å |
| 302 | V | 86.2 | Confident | 77.5 | Confident | 78 Ų | 78 | 98.4 Ų | 98.4 | 47% | 0.473 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 177.1 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | V298 Q299 I300 A305 I306 | V298-V302 HydrophobicContact CG1-CG2 4.39Å; V298-V302 VanDerWaalsContact O-CG2 3.29Å; V298-V302 WeakPolarHBondContact O-CG2 3.29Å; V298-V302 PolarHBondContact O-N 2.89Å; Q299-V302 PolarHBondContact O-N 2.97Å; I300-V302 VanDerWaalsContact C-N 3.35Å; I300-V302 PolarHBondContact O-N 2.99Å; V302-A305 PolarHBondContact O-N 3Å; V302-I306 HydrophobicContact CG1-CD1 3.73Å; V302-I306 HydrophobicContact CG1-CG1 4.44Å; V302-I306 VanDerWaalsContact O-CG1 3.25Å; V302-I306 WeakPolarHBondContact O-CG1 3.24Å; V302-I306 PolarHBondContact O-N 3.47Å |
| 303 | A | 84.9 | Confident | 79.8 | Confident | 46 Ų | 46 | 92.5 Ų | 92.5 | 38% | 0.38 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q299 I300 A305 I306 I307 | Q299-A303 WeakPolarHBondContact O-CB 3.33Å; Q299-A303 PolarHBondContact O-N 2.97Å; I300-A303 PolarHBondContact O-N 3.38Å; A303-A305 PolarHBondContact O-N 3.18Å; A303-I306 PolarHBondContact O-N 3.48Å; A303-I307 WeakPolarHBondContact O-CG1 3.47Å; A303-I307 PolarHBondContact O-N 3.31Å |
| 304 | V | 88.8 | Confident | 81.9 | Confident | 64 Ų | 64 | 87.5 Ų | 87.5 | 39% | 0.388 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 111 | I300 L301 I306 I307 Q308 | I300-V304 HydrophobicContact CG2-CG2 4.36Å; I300-V304 VanDerWaalsContact O-CG2 3.31Å; I300-V304 WeakPolarHBondContact O-CG2 3.34Å; I300-V304 PolarHBondContact O-N 3.13Å; L301-V304 PolarHBondContact O-N 3.29Å; V304-I306 PolarHBondContact O-N 3.4Å; V304-I307 PolarHBondContact O-N 3.35Å; V304-Q308 WeakPolarHBondContact O-CG 3.42Å; V304-Q308 PolarHBondContact O-N 3.18Å |
| 305 | A | 85.8 | Confident | 83.3 | Confident | 53 Ų | 53 | 87.6 Ų | 87.6 | 44% | 0.438 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L301 V302 A303 I307 Q308 V309 | L301-A305 WeakPolarHBondContact O-CB 3.3Å; L301-A305 PolarHBondContact O-N 3.07Å; V302-A305 PolarHBondContact O-N 3Å; A303-A305 PolarHBondContact O-N 3.18Å; A305-I307 PolarHBondContact O-N 3.29Å; A305-Q308 PolarHBondContact O-N 3.13Å; A305-V309 VanDerWaalsContact O-CG2 3.3Å; A305-V309 WeakPolarHBondContact O-CG2 3.45Å; A305-V309 PolarHBondContact O-N 3.45Å |
| 306 | I | 88.3 | Confident | 84.3 | Confident | 81 Ų | 81 | 89.2 Ų | 89.2 | 42% | 0.415 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 177.9 | -69.7 | 166.9 | 0 | 0 | 0 | 111.2 | V302 A303 V304 V309 R310 | V302-I306 HydrophobicContact CG1-CD1 3.73Å; V302-I306 HydrophobicContact CG1-CG1 4.44Å; V302-I306 VanDerWaalsContact O-CG1 3.25Å; V302-I306 WeakPolarHBondContact O-CG1 3.24Å; V302-I306 PolarHBondContact O-N 3.47Å; A303-I306 PolarHBondContact O-N 3.48Å; V304-I306 PolarHBondContact O-N 3.4Å; I306-V309 PolarHBondContact O-N 3.46Å; I306-R310 WeakPolarHBondContact O-CG 3.31Å; I306-R310 PolarHBondContact O-N 3.47Å; I306-R310 VanDerWaalsContact O-N 3.08Å |
| 307 | I | 88.9 | Confident | 85.3 | Confident | 108 Ų | 108 | 90.7 Ų | 90.7 | 55% | 0.554 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.5 | -45.8 | 177.8 | -67.6 | 166.6 | 0 | 0 | 0 | 110.2 | A303 V304 A305 V309 R310 T311 | A303-I307 WeakPolarHBondContact O-CG1 3.47Å; A303-I307 PolarHBondContact O-N 3.31Å; V304-I307 PolarHBondContact O-N 3.35Å; A305-I307 PolarHBondContact O-N 3.29Å; I307-V309 PolarHBondContact O-N 3.1Å; I307-R310 PolarHBondContact O-N 3.44Å; I307-T311 PolarHBondContact O-N 3.14Å; I307-T311 PolarHBondContact O-OG1 3.27Å |
| 308 | Q | 86.1 | Confident | 86 | Confident | 74 Ų | 74 | 94.2 Ų | 94.2 | 35% | 0.346 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.6 | -37.2 | -179.3 | -72.1 | -159 | -13.2 | 0 | 0 | 113.5 | V304 A305 R310 T311 L312 | V304-Q308 WeakPolarHBondContact O-CG 3.42Å; V304-Q308 PolarHBondContact O-N 3.18Å; A305-Q308 PolarHBondContact O-N 3.13Å; Q308-R310 VanDerWaalsContact C-N 3.31Å; Q308-R310 PolarHBondContact O-N 3.41Å; Q308-T311 WeakPolarHBondContact CA-OG1 3.31Å; Q308-T311 PolarHBondContact O-N 3.2Å; Q308-T311 PolarHBondContact O-OG1 3.29Å; Q308-L312 WeakPolarHBondContact O-CB 3.37Å; Q308-L312 WeakPolarHBondContact O-CG 3.34Å; Q308-L312 PolarHBondContact O-N 2.95Å |
| 309 | V | 90.1 | Very high | 86.3 | Confident | 100 Ų | 100 | 94.8 Ų | 94.8 | 61% | 0.606 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -39.2 | 174.1 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | A305 I306 I307 K313 | A305-V309 VanDerWaalsContact O-CG2 3.3Å; A305-V309 WeakPolarHBondContact O-CG2 3.45Å; A305-V309 PolarHBondContact O-N 3.45Å; I306-V309 PolarHBondContact O-N 3.46Å; I307-V309 PolarHBondContact O-N 3.1Å; V309-K313 WeakPolarHBondContact O-CB 3.25Å; V309-K313 PolarHBondContact O-N 2.9Å |
| 310 | R | 88.5 | Confident | 86.2 | Confident | 183 Ų | 183 | 95 Ų | 95 | 69% | 0.691 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.8 | -41.8 | 176.7 | -73.1 | 177.4 | 178.5 | -175 | 0.3 | 112.3 | I306 I307 Q308 K313 A314 | I306-R310 WeakPolarHBondContact O-CG 3.31Å; I306-R310 PolarHBondContact O-N 3.47Å; I306-R310 VanDerWaalsContact O-N 3.08Å; I307-R310 PolarHBondContact O-N 3.44Å; Q308-R310 VanDerWaalsContact C-N 3.31Å; Q308-R310 PolarHBondContact O-N 3.41Å; R310-K313 PolarHBondContact O-N 2.95Å; R310-A314 PolarHBondContact O-N 3.03Å |
| 311 | T | 87.1 | Confident | 84.8 | Confident | 75 Ų | 75 | 101.4 Ų | 101.4 | 46% | 0.46 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.3 | -41.7 | 176.7 | 50.3 | 0 | 0 | 0 | 0 | 111.8 | I307 Q308 K313 A314 E315 | I307-T311 PolarHBondContact O-N 3.14Å; I307-T311 PolarHBondContact O-OG1 3.27Å; Q308-T311 WeakPolarHBondContact CA-OG1 3.31Å; Q308-T311 PolarHBondContact O-N 3.2Å; Q308-T311 PolarHBondContact O-OG1 3.29Å; T311-K313 VanDerWaalsContact C-N 3.34Å; T311-K313 PolarHBondContact O-N 3.48Å; T311-A314 PolarHBondContact O-N 3.4Å; T311-E315 WeakPolarHBondContact O-CG 3.42Å; T311-E315 PolarHBondContact O-N 3.39Å |
| 312 | L | 86.6 | Confident | 84.9 | Confident | 109 Ų | 109 | 102.1 Ų | 102.1 | 57% | 0.571 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.8 | -39.9 | 176 | -76.1 | 170.6 | 0 | 0 | 0 | 112 | Q308 E315 V316 | Q308-L312 WeakPolarHBondContact O-CB 3.37Å; Q308-L312 WeakPolarHBondContact O-CG 3.34Å; Q308-L312 PolarHBondContact O-N 2.95Å; L312-E315 PolarHBondContact O-N 3.49Å; L312-V316 VanDerWaalsContact O-CG2 3.32Å; L312-V316 WeakPolarHBondContact O-CG2 3.47Å; L312-V316 PolarHBondContact O-N 3.09Å |
| 313 | K | 92 | Very high | 84.8 | Confident | 130 Ų | 130 | 103.3 Ų | 103.3 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.2 | -44.2 | 174.9 | -176 | 176.8 | 174.7 | -177.7 | 0 | 111.7 | V309 R310 T311 E315 V316 E317 | V309-K313 WeakPolarHBondContact O-CB 3.25Å; V309-K313 PolarHBondContact O-N 2.9Å; R310-K313 PolarHBondContact O-N 2.95Å; T311-K313 VanDerWaalsContact C-N 3.34Å; T311-K313 PolarHBondContact O-N 3.48Å; K313-E315 PolarHBondContact O-N 3.42Å; K313-V316 PolarHBondContact O-N 3.34Å; K313-E317 WeakPolarHBondContact CE-OE1 3.29Å; K313-E317 IonicContact NZ-OE1 3.72Å; K313-E317 WeakPolarHBondContact O-CG 3.32Å; K313-E317 PolarHBondContact O-N 3.41Å |
| 314 | A | 87.2 | Confident | 84.8 | Confident | 39 Ų | 39 | 106.5 Ų | 106.5 | 32% | 0.322 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.7 | -38.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R310 T311 E317 K318 | R310-A314 PolarHBondContact O-N 3.03Å; T311-A314 PolarHBondContact O-N 3.4Å; A314-E317 PolarHBondContact O-N 3.14Å; A314-K318 VanDerWaalsContact O-CG 3.32Å; A314-K318 WeakPolarHBondContact O-CG 3.43Å; A314-K318 PolarHBondContact O-N 3.37Å |
| 315 | E | 88.4 | Confident | 84.6 | Confident | 119 Ų | 119 | 109 Ų | 109 | 56% | 0.556 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69 | -36.8 | 176.6 | -69.2 | -61.6 | 123 | 0 | 0 | 112.2 | T311 L312 K313 K318 G319 | T311-E315 WeakPolarHBondContact O-CG 3.42Å; T311-E315 PolarHBondContact O-N 3.39Å; L312-E315 PolarHBondContact O-N 3.49Å; K313-E315 PolarHBondContact O-N 3.42Å; E315-K318 PolarHBondContact O-N 3.16Å; E315-K318 IonicContact OE1-NZ 3.41Å; E315-K318 PolarHBondContact OE1-NZ 3.46Å; E315-G319 PolarHBondContact O-N 3.37Å; E315-G319 VanDerWaalsContact O-N 3.13Å |
| 316 | V | 90 | Very high | 84.5 | Confident | 103 Ų | 103 | 112.5 Ų | 112.5 | 62% | 0.624 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.4 | -39.2 | 174.1 | 172 | 0 | 0 | 0 | 0 | 111.6 | L312 K313 G319 | L312-V316 VanDerWaalsContact O-CG2 3.32Å; L312-V316 WeakPolarHBondContact O-CG2 3.47Å; L312-V316 PolarHBondContact O-N 3.09Å; K313-V316 PolarHBondContact O-N 3.34Å; V316-G319 PolarHBondContact O-N 3.24Å |
| 317 | E | 88.3 | Confident | 84.3 | Confident | 121 Ų | 121 | 114.6 Ų | 114.6 | 57% | 0.565 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.2 | -36.4 | 176.6 | -75.2 | 174.5 | 177.5 | 0 | 0 | 112 | K313 A314 S320 | K313-E317 WeakPolarHBondContact CE-OE1 3.29Å; K313-E317 IonicContact NZ-OE1 3.72Å; K313-E317 WeakPolarHBondContact O-CG 3.32Å; K313-E317 PolarHBondContact O-N 3.41Å; A314-E317 PolarHBondContact O-N 3.14Å; E317-S320 PolarHBondContact O-N 3.28Å |
| 318 | K | 87 | Confident | 83.9 | Confident | 148 Ų | 148 | 115.1 Ų | 115.1 | 64% | 0.643 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.9 | -30.1 | 176 | -74.2 | 175.1 | -172.7 | 172.3 | 0 | 114 | A314 E315 S320 | A314-K318 VanDerWaalsContact O-CG 3.32Å; A314-K318 WeakPolarHBondContact O-CG 3.43Å; A314-K318 PolarHBondContact O-N 3.37Å; E315-K318 PolarHBondContact O-N 3.16Å; E315-K318 IonicContact OE1-NZ 3.41Å; E315-K318 PolarHBondContact OE1-NZ 3.46Å; K318-S320 VanDerWaalsContact C-N 3.31Å |
| 319 | G | 79.5 | Confident | 83.7 | Confident | 69 Ų | 69 | 118.2 Ų | 118.2 | 71% | 0.711 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 1.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | E315 V316 | E315-G319 PolarHBondContact O-N 3.37Å; E315-G319 VanDerWaalsContact O-N 3.13Å; V316-G319 PolarHBondContact O-N 3.24Å |
| 320 | S | 72.1 | Confident | 83.2 | Confident | 101 Ų | 101 | 119.8 Ų | 119.8 | 71% | 0.706 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 9 | -175.3 | -171 | 0 | 0 | 0 | 0 | 114.3 | E317 K318 | E317-S320 PolarHBondContact O-N 3.28Å; K318-S320 VanDerWaalsContact C-N 3.31Å |
| 321 | M | 52 | Low | 82.7 | Confident | 240 Ų | 240 | 114 Ų | 114 | 100% | 1.182 | 63% | 0.628 | S | S | * | * | | | trans | -107.6 | 0 | 169.8 | -61.6 | -159.7 | 91.5 | 0 | 0 | 110.3 | | |