| 1 | V | 42.8 | Very low | 49.9 | Very low | 187 Ų | 187 | 155.2 Ų | 155.2 | 100% | 1.133 | 82% | 0.822 | S | S | * | * | | | | 0 | 109.3 | 0 | -177.7 | 0 | 0 | 0 | 0 | 105.5 | | |
| 2 | Y | 39.5 | Very low | 50.4 | Low | 236 Ų | 236 | 155.8 Ų | 155.8 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | | | trans | -91.2 | 115.6 | 176.9 | -83.6 | -94.5 | 0 | 0 | 0 | 106.8 | A4 | Y2-A4 PolarHBondContact O-N 2.91Š|
| 3 | E | 49.5 | Very low | 50.7 | Low | 187 Ų | 187 | 157.2 Ų | 157.2 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | -76.3 | 105.5 | 168 | -76.7 | -176.6 | 162.5 | 0 | 0 | 107.5 | S5 | E3-S5 PolarHBondContact O-N 2.86Š|
| 4 | A | 51.8 | Low | 51 | Low | 94 Ų | 94 | 157.4 Ų | 157.4 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | | | trans | -73.7 | 102.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | Y2 E6 | Y2-A4 PolarHBondContact O-N 2.91Å; A4-E6 PolarHBondContact O-N 3.3Å; A4-E6 VanDerWaalsContact O-N 3.16Å |
| 5 | S | 57 | Low | 51.6 | Low | 109 Ų | 109 | 154.1 Ų | 154.1 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | trans | -66.3 | 108.6 | 167.3 | 47.6 | 0 | 0 | 0 | 0 | 108.1 | E3 E7 | E3-S5 PolarHBondContact O-N 2.86Å; S5-E7 PolarHBondContact O-N 3.12Å |
| 6 | E | 55.7 | Low | 52.5 | Low | 179 Ų | 179 | 152.4 Ų | 152.4 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | | | trans | -66.9 | 86.8 | 164.7 | -67.4 | -178.5 | 172.7 | 0 | 0 | 107.5 | A4 T8 | A4-E6 PolarHBondContact O-N 3.3Å; A4-E6 VanDerWaalsContact O-N 3.16Å; E6-T8 VanDerWaalsContact C-N 3.27Å; E6-T8 PolarHBondContact O-N 2.99Å |
| 7 | E | 47.9 | Very low | 53.2 | Low | 169 Ų | 169 | 152 Ų | 152 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | trans | -67.6 | 93.9 | 165.5 | -172.5 | 172.8 | -165.8 | 0 | 0 | 106.5 | S5 V9 | S5-E7 PolarHBondContact O-N 3.12Å; E7-V9 VanDerWaalsContact C-N 3.31Å; E7-V9 PolarHBondContact O-N 3.23Å |
| 8 | T | 52.4 | Low | 53.7 | Low | 112 Ų | 112 | 149.9 Ų | 149.9 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | | | trans | -60.8 | 95 | 172.1 | 51.1 | 0 | 0 | 0 | 0 | 108.1 | E6 I10 | E6-T8 VanDerWaalsContact C-N 3.27Å; E6-T8 PolarHBondContact O-N 2.99Å; T8-I10 VanDerWaalsContact C-N 3.3Å; T8-I10 PolarHBondContact O-N 2.83Å |
| 9 | V | 50.3 | Low | 54.4 | Low | 119 Ų | 119 | 152.1 Ų | 152.1 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | | | trans | -67.1 | 96.7 | 166.4 | 177.5 | 0 | 0 | 0 | 0 | 105.9 | E7 E11 | E7-V9 VanDerWaalsContact C-N 3.31Å; E7-V9 PolarHBondContact O-N 3.23Å; V9-E11 PolarHBondContact O-N 3.29Å |
| 10 | I | 48.3 | Very low | 55 | Low | 142 Ų | 142 | 154.7 Ų | 154.7 | 73% | 0.728 | 80% | 0.804 | S | S | * | * | | | trans | -68.5 | 103 | 168.7 | -60.3 | 168.3 | 0 | 0 | 0 | 104.7 | T8 E12 | T8-I10 VanDerWaalsContact C-N 3.3Å; T8-I10 PolarHBondContact O-N 2.83Å; I10-E12 PolarHBondContact O-N 3.23Å |
| 11 | E | 54 | Low | 55.6 | Low | 173 Ų | 173 | 151.5 Ų | 151.5 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | | | trans | -58.2 | 106.8 | 166.1 | -75.2 | -176.2 | 155.2 | 0 | 0 | 106.9 | V9 E13 | V9-E11 PolarHBondContact O-N 3.29Å; E11-E13 VanDerWaalsContact C-N 3.32Å; E11-E13 PolarHBondContact O-N 3.09Å |
| 12 | E | 55.3 | Low | 56.8 | Low | 163 Ų | 163 | 154.1 Ų | 154.1 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | -60.4 | 100.4 | 167.2 | -104.2 | -175.6 | 134.6 | 0 | 0 | 107 | I10 H14 | I10-E12 PolarHBondContact O-N 3.23Å; E12-H14 PolarHBondContact O-CD2 2.87Å; E12-H14 PolarHBondContact O-N 2.71Å |
| 13 | E | 55 | Low | 58.1 | Low | 173 Ų | 173 | 150.6 Ų | 150.6 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | | | trans | -64.9 | 99.5 | 170.6 | -165.5 | -177.6 | -179.9 | 0 | 0 | 107.4 | E11 V15 | E11-E13 VanDerWaalsContact C-N 3.32Å; E11-E13 PolarHBondContact O-N 3.09Å; E13-V15 VanDerWaalsContact C-N 3.26Å; E13-V15 PolarHBondContact O-N 3.38Å |
| 14 | H | 55 | Low | 59.2 | Low | 160 Ų | 160 | 151.4 Ų | 151.4 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | | | trans | -66.1 | 85.9 | 175.1 | -77.7 | -107.7 | 0 | 0 | 0 | 109.5 | E12 T16 | E12-H14 PolarHBondContact O-CD2 2.87Å; E12-H14 PolarHBondContact O-N 2.71Å; H14-T16 PolarHBondContact O-N 3.14Å |
| 15 | V | 59.8 | Low | 60.2 | Low | 108 Ų | 108 | 153.5 Ų | 153.5 | 66% | 0.655 | 79% | 0.789 | S | S | * | * | | | trans | -67.6 | 97.2 | 170.8 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | E13 L17 | E13-V15 VanDerWaalsContact C-N 3.26Å; E13-V15 PolarHBondContact O-N 3.38Å; V15-L17 PolarHBondContact O-N 3.36Å |
| 16 | T | 65.1 | Low | 61.1 | Low | 128 Ų | 128 | 152.3 Ų | 152.3 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -75.7 | 104.1 | 171.4 | 43.4 | 0 | 0 | 0 | 0 | 108.9 | H14 | H14-T16 PolarHBondContact O-N 3.14Š|
| 17 | L | 64.8 | Low | 61.9 | Low | 145 Ų | 145 | 153.7 Ų | 153.7 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | | | trans | -62.1 | 130.3 | 173.4 | -74.7 | 163.3 | 0 | 0 | 0 | 109.6 | V15 Q19 | V15-L17 PolarHBondContact O-N 3.36Å; L17-Q19 PolarHBondContact O-N 3.41Å; L17-Q19 VanDerWaalsContact O-N 3.13Å |
| 18 | P | 63.2 | Low | 63.3 | Low | 115 Ų | 115 | 151.8 Ų | 151.8 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | | | trans | -64.2 | 119.7 | 179.5 | 24.1 | -31.7 | 0 | 0 | 0 | 109.7 | K20 | P18-K20 PolarHBondContact O-N 2.83Å; P18-K20 VanDerWaalsContact O-N 3.13Å |
| 19 | Q | 67.2 | Low | 64.6 | Low | 191 Ų | 191 | 151.9 Ų | 151.9 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | | | trans | -64.9 | 114.5 | 174.6 | -70.2 | -175.3 | 0.9 | 0 | 0 | 109 | L17 A21 | L17-Q19 PolarHBondContact O-N 3.41Å; L17-Q19 VanDerWaalsContact O-N 3.13Å; Q19-A21 PolarHBondContact O-N 2.97Å |
| 20 | K | 66.6 | Low | 65.8 | Low | 203 Ų | 203 | 150.7 Ų | 150.7 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -61.3 | 111.2 | 175.6 | -67.6 | -176.9 | -179.5 | 179.5 | 0 | 108.9 | P18 R22 | P18-K20 PolarHBondContact O-N 2.83Å; P18-K20 VanDerWaalsContact O-N 3.13Å; K20-R22 PolarHBondContact O-N 3.26Å |
| 21 | A | 67.3 | Low | 67.3 | Low | 88 Ų | 88 | 149.3 Ų | 149.3 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -60.7 | 124.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q19 L23 | Q19-A21 PolarHBondContact O-N 2.97Å; A21-L23 PolarHBondContact O-N 3.38Å; A21-L23 VanDerWaalsContact O-N 3.09Å |
| 22 | R | 66.7 | Low | 68.4 | Low | 242 Ų | 242 | 146.7 Ų | 146.7 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | | | trans | -70.4 | 105.6 | 173.4 | -70.4 | -176.7 | 173.9 | -178.9 | -1.8 | 108.3 | K20 K24 | K20-R22 PolarHBondContact O-N 3.26Å; R22-K24 PolarHBondContact O-N 2.82Å |
| 23 | L | 67.6 | Low | 69.3 | Low | 162 Ų | 162 | 147.7 Ų | 147.7 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | | | trans | -64.8 | 115.2 | 169.7 | -64.4 | 175.3 | 0 | 0 | 0 | 107.9 | A21 V25 | A21-L23 PolarHBondContact O-N 3.38Å; A21-L23 VanDerWaalsContact O-N 3.09Å; L23-V25 PolarHBondContact O-N 2.85Å |
| 24 | K | 72.4 | Confident | 70.2 | Confident | 204 Ų | 204 | 145.2 Ų | 145.2 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | | | trans | -68.1 | 115.8 | 171.2 | -68.4 | -177.6 | -179.1 | 177.5 | 0 | 107.1 | R22 A26 | R22-K24 PolarHBondContact O-N 2.82Å; K24-A26 PolarHBondContact O-N 3.26Å |
| 25 | V | 72.4 | Confident | 70.9 | Confident | 138 Ų | 138 | 143.1 Ų | 143.1 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | trans | -63.6 | 119.9 | 175.9 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | L23 K27 | L23-V25 PolarHBondContact O-N 2.85Å; V25-K27 PolarHBondContact O-N 3.3Å |
| 26 | A | 75.3 | Confident | 71.4 | Confident | 84 Ų | 84 | 144 Ų | 144 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | | | trans | -65.7 | 130.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | K24 V28 | K24-A26 PolarHBondContact O-N 3.26Å; A26-V28 PolarHBondContact O-N 2.91Å |
| 27 | K | 73.8 | Confident | 71.8 | Confident | 209 Ų | 209 | 143 Ų | 143 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | | | trans | -77 | 108.9 | -179.4 | -157.6 | 169.9 | -173.4 | -178.9 | 0 | 108.5 | V25 | V25-K27 PolarHBondContact O-N 3.3Š|
| 28 | V | 77.6 | Confident | 72.4 | Confident | 128 Ų | 128 | 143.6 Ų | 143.6 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 130.2 | 178.5 | -178.5 | 0 | 0 | 0 | 0 | 109 | A26 | A26-V28 PolarHBondContact O-N 2.91Š|
| 29 | P | 78.9 | Confident | 73.1 | Confident | 115 Ų | 115 | 146.3 Ų | 146.3 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 140.2 | 174.7 | 26.1 | -31 | 0 | 0 | 0 | 110.7 | | |
| 30 | A | 75.5 | Confident | 73.7 | Confident | 93 Ų | 93 | 144.2 Ų | 144.2 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 142.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 31 | P | 79.1 | Confident | 73.9 | Confident | 114 Ų | 114 | 140.8 Ų | 140.8 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 148.3 | 176.3 | 26.9 | -33.2 | 0 | 0 | 0 | 110.8 | Q33 | P31-Q33 PolarHBondContact O-N 3.47Š|
| 32 | P | 78.8 | Confident | 74.3 | Confident | 118 Ų | 118 | 145.9 Ų | 145.9 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64 | 128.4 | 178.7 | 26.2 | -32.9 | 0 | 0 | 0 | 110.3 | T34 | P32-T34 PolarHBondContact O-N 3.44Š|
| 33 | Q | 73.7 | Confident | 74.7 | Confident | 183 Ų | 183 | 140.4 Ų | 140.4 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | | | trans | -85.7 | 98.2 | 179.9 | -153.3 | 170.4 | 32.2 | 0 | 0 | 108.7 | P31 V35 | P31-Q33 PolarHBondContact O-N 3.47Å; Q33-V35 PolarHBondContact O-N 2.75Å |
| 34 | T | 72.8 | Confident | 75.1 | Confident | 121 Ų | 121 | 139.1 Ų | 139.1 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | -87.8 | 103.7 | 174.4 | 52.6 | 0 | 0 | 0 | 0 | 109.4 | P32 | P32-T34 PolarHBondContact O-N 3.44Š|
| 35 | V | 69.9 | Low | 75.5 | Confident | 117 Ų | 117 | 137 Ų | 137 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | | | trans | -90.4 | 101.7 | 170.6 | -174.2 | 0 | 0 | 0 | 0 | 107.5 | Q33 | Q33-V35 PolarHBondContact O-N 2.75Š|
| 36 | V | 71.9 | Confident | 75.6 | Confident | 125 Ų | 125 | 141.6 Ų | 141.6 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | | | trans | -87.4 | 113.2 | 171 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | E38 | V36-E38 PolarHBondContact O-N 3.27Š|
| 37 | T | 73.6 | Confident | 75.6 | Confident | 108 Ų | 108 | 147.5 Ų | 147.5 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | | | trans | -81.4 | 112.2 | 173.9 | 47.5 | 0 | 0 | 0 | 0 | 109.4 | E39 | T37-E39 PolarHBondContact O-N 3.22Š|
| 38 | E | 76.3 | Confident | 75.7 | Confident | 158 Ų | 158 | 143.1 Ų | 143.1 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | | | trans | -76.8 | 103.3 | 172.9 | -69.3 | -174.4 | 175.4 | 0 | 0 | 110.3 | V36 K40 | V36-E38 PolarHBondContact O-N 3.27Å; E38-K40 PolarHBondContact O-N 3.35Å |
| 39 | E | 78.6 | Confident | 75.1 | Confident | 171 Ų | 171 | 147.5 Ų | 147.5 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | trans | -81.3 | 107.2 | 171.5 | -65.6 | -175.7 | 174.3 | 0 | 0 | 109.8 | T37 | T37-E39 PolarHBondContact O-N 3.22Š|
| 40 | K | 78.1 | Confident | 74.4 | Confident | 147 Ų | 147 | 150.1 Ų | 150.1 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | | | trans | -86.2 | 113 | 175.8 | -66.6 | -178.8 | -178.5 | 176.9 | 0 | 110.2 | E38 Y42 | E38-K40 PolarHBondContact O-N 3.35Å; K40-Y42 HydrophobicContact CB-CE2 4.26Å |
| 41 | T | 72.6 | Confident | 73.8 | Confident | 132 Ų | 132 | 150.8 Ų | 150.8 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 125.4 | 175.2 | -31.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 42 | Y | 74.7 | Confident | 72.9 | Confident | 195 Ų | 195 | 152.5 Ų | 152.5 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -100 | 122.8 | 175.8 | -62.8 | -87.1 | 0 | 0 | 0 | 110.4 | K40 | K40-Y42 HydrophobicContact CB-CE2 4.26Š|
| 43 | V | 74.6 | Confident | 72.2 | Confident | 126 Ų | 126 | 151.7 Ų | 151.7 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 123.8 | 175.3 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 44 | T | 76.1 | Confident | 71.2 | Confident | 136 Ų | 136 | 150.1 Ų | 150.1 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | | | trans | -93.3 | 114.1 | 174.1 | 42.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 45 | I | 81.3 | Confident | 70.6 | Confident | 158 Ų | 158 | 153.6 Ų | 153.6 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | -88.9 | 120.4 | 176.3 | -57 | 174.9 | 0 | 0 | 0 | 108.6 | K47 | I45-K47 PolarHBondContact O-N 3.1Š|
| 46 | R | 74.2 | Confident | 69.9 | Low | 235 Ų | 235 | 156.6 Ų | 156.6 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | | | trans | -71.1 | 121.4 | 175.7 | -68.7 | -176.1 | 179 | 179.8 | -0 | 109.6 | T48 | R46-T48 PolarHBondContact O-N 2.91Å; R46-T48 VanDerWaalsContact O-N 3.14Å |
| 47 | K | 76.3 | Confident | 69.1 | Low | 208 Ų | 208 | 155.2 Ų | 155.2 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | | | trans | -76 | 99.3 | 175.9 | -162.5 | 175.5 | -176 | 177.7 | 0 | 109.2 | I45 R49 | I45-K47 PolarHBondContact O-N 3.1Å; K47-R49 PolarHBondContact O-N 3.22Å |
| 48 | T | 74.9 | Confident | 68.1 | Low | 117 Ų | 117 | 159.6 Ų | 159.6 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | | | trans | -72.9 | 117.1 | 169.4 | 47.2 | 0 | 0 | 0 | 0 | 108.6 | R46 E50 | R46-T48 PolarHBondContact O-N 2.91Å; R46-T48 VanDerWaalsContact O-N 3.14Å; T48-E50 PolarHBondContact O-N 3.45Å |
| 49 | R | 64.9 | Low | 67 | Low | 221 Ų | 221 | 157.1 Ų | 157.1 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | -82.4 | 92.2 | 172.6 | -171.2 | -175.6 | -180 | 173 | -1 | 107.7 | K47 T51 | K47-R49 PolarHBondContact O-N 3.22Å; R49-T51 HydrophobicContact CG-CG2 4.11Å; R49-T51 PolarHBondContact O-N 3.28Å; R49-T51 VanDerWaalsContact O-N 3.09Å |
| 50 | E | 65.4 | Low | 66.1 | Low | 169 Ų | 169 | 154.8 Ų | 154.8 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -72.2 | 95.8 | 165 | -77.4 | -171.9 | 151.6 | 0 | 0 | 108.5 | T48 L52 | T48-E50 PolarHBondContact O-N 3.45Å; E50-L52 PolarHBondContact O-N 3.21Å |
| 51 | T | 63.1 | Low | 65.2 | Low | 107 Ų | 107 | 160 Ų | 160 | 66% | 0.656 | 80% | 0.802 | S | S | * | * | | | trans | -80.6 | 89.5 | 162.8 | 44 | 0 | 0 | 0 | 0 | 107.9 | R49 A53 | R49-T51 HydrophobicContact CG-CG2 4.11Å; R49-T51 PolarHBondContact O-N 3.28Å; R49-T51 VanDerWaalsContact O-N 3.09Å; T51-A53 PolarHBondContact O-N 3.21Å |
| 52 | L | 60.1 | Low | 64.5 | Low | 151 Ų | 151 | 161.9 Ų | 161.9 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | -62.1 | 121 | 157.7 | -70.9 | 171.2 | 0 | 0 | 0 | 106.5 | E50 L54 | E50-L52 PolarHBondContact O-N 3.21Å; L52-L54 VanDerWaalsContact C-N 3.32Å; L52-L54 PolarHBondContact O-N 3.27Å |
| 53 | A | 62.2 | Low | 63.9 | Low | 100 Ų | 100 | 157 Ų | 157 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | | | trans | -61.2 | 97.8 | 174 | 0 | 0 | 0 | 0 | 0 | 108.2 | T51 K55 | T51-A53 PolarHBondContact O-N 3.21Å; A53-K55 PolarHBondContact O-N 3.09Å |
| 54 | L | 53.8 | Low | 63.4 | Low | 150 Ų | 150 | 159.6 Ų | 159.6 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -64.6 | 101.9 | 172.4 | -171.5 | 80.5 | 0 | 0 | 0 | 106.5 | L52 E56 | L52-L54 VanDerWaalsContact C-N 3.32Å; L52-L54 PolarHBondContact O-N 3.27Å; L54-E56 PolarHBondContact O-N 3.17Å; L54-E56 VanDerWaalsContact O-N 3.12Å |
| 55 | K | 59.8 | Low | 62.8 | Low | 195 Ų | 195 | 158.4 Ų | 158.4 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | | | trans | -64.6 | 110.5 | 160.3 | -85 | -170.1 | 174.4 | -176.8 | 0 | 105.6 | A53 S57 | A53-K55 PolarHBondContact O-N 3.09Å; K55-S57 VanDerWaalsContact C-N 3.34Å; K55-S57 PolarHBondContact O-N 3.35Å |
| 56 | E | 56.2 | Low | 62.1 | Low | 179 Ų | 179 | 160 Ų | 160 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | | | trans | -60.7 | 96.1 | 176.6 | -61.6 | -176.9 | 150.4 | 0 | 0 | 108.5 | L54 E58 | L54-E56 PolarHBondContact O-N 3.17Å; L54-E56 VanDerWaalsContact O-N 3.12Å; E56-E58 PolarHBondContact O-N 2.98Å |
| 57 | S | 53.3 | Low | 61.6 | Low | 97 Ų | 97 | 156.1 Ų | 156.1 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | | | trans | -78.7 | 104.6 | 165.1 | 50.6 | 0 | 0 | 0 | 0 | 107.3 | K55 T59 | K55-S57 VanDerWaalsContact C-N 3.34Å; K55-S57 PolarHBondContact O-N 3.35Å; S57-T59 PolarHBondContact O-N 3.08Å; S57-T59 PolarHBondContact O-OG1 3.39Å |
| 58 | E | 54.3 | Low | 61 | Low | 200 Ų | 200 | 154.2 Ų | 154.2 | 94% | 0.935 | 79% | 0.789 | S | S | * | * | | | trans | -53.6 | 93.3 | 173.4 | -158.3 | 172.3 | -163.2 | 0 | 0 | 109.6 | E56 | E56-E58 PolarHBondContact O-N 2.98Š|
| 59 | T | 52.7 | Low | 60.4 | Low | 105 Ų | 105 | 153.8 Ų | 153.8 | 64% | 0.644 | 79% | 0.791 | S | S | * | * | | | trans | -139.7 | 109.7 | 177.8 | -4.2 | 0 | 0 | 0 | 0 | 108.4 | S57 | S57-T59 PolarHBondContact O-N 3.08Å; S57-T59 PolarHBondContact O-OG1 3.39Å |
| 60 | T | 58.5 | Low | 60.2 | Low | 122 Ų | 122 | 153.2 Ų | 153.2 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | 33.1 | 113.3 | 150.4 | 41.6 | 0 | 0 | 0 | 0 | 116.5 | E62 | T60-E62 VanDerWaalsContact C-N 3.28Å; T60-E62 PolarHBondContact O-N 3.03Å |
| 61 | R | 61.2 | Low | 60 | Low | 258 Ų | 258 | 153.9 Ų | 153.9 | 97% | 0.974 | 79% | 0.79 | S | S | * | * | | | trans | -41.5 | 91.3 | 161.2 | -77.3 | 176.9 | 166.3 | 157.2 | -4 | 110.6 | A63 | R61-A63 PolarHBondContact O-N 3.13Š|
| 62 | E | 57.4 | Low | 60.2 | Low | 170 Ų | 170 | 152.8 Ų | 152.8 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -75.9 | 115.6 | 167.1 | -167.3 | 167.8 | -170.5 | 0 | 0 | 105.5 | T60 F64 | T60-E62 VanDerWaalsContact C-N 3.28Å; T60-E62 PolarHBondContact O-N 3.03Å; E62-F64 PolarHBondContact O-N 3.13Å |
| 63 | A | 62.6 | Low | 60.6 | Low | 92 Ų | 92 | 150.6 Ų | 150.6 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | trans | -61.2 | 108.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | R61 P65 | R61-A63 PolarHBondContact O-N 3.13Å; A63-P65 WeakPolarHBondContact O-CD 3.37Å |
| 64 | F | 62.7 | Low | 60.9 | Low | 182 Ų | 182 | 150.9 Ų | 150.9 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | | | trans | -57.4 | 121.4 | 170.8 | -88.1 | -96.5 | 0 | 0 | 0 | 107.6 | E62 E66 | E62-F64 PolarHBondContact O-N 3.13Å; F64-E66 PolarHBondContact O-N 2.87Å |
| 65 | P | 64.8 | Low | 61.8 | Low | 111 Ų | 111 | 152.8 Ų | 152.8 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | | | trans | -59.9 | 130.8 | 169.8 | 24.1 | -29.9 | 0 | 0 | 0 | 107.4 | A63 L67 | A63-P65 WeakPolarHBondContact O-CD 3.37Å; P65-L67 PolarHBondContact O-N 2.77Å |
| 66 | E | 65.3 | Low | 62.5 | Low | 191 Ų | 191 | 150 Ų | 150 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | | | trans | -50.2 | 104.6 | 178.8 | -70 | 178.9 | 171.8 | 0 | 0 | 109.2 | F64 K68 | F64-E66 PolarHBondContact O-N 2.87Å; E66-K68 VanDerWaalsContact C-N 3.27Å; E66-K68 PolarHBondContact O-N 3.02Å |
| 67 | L | 65.1 | Low | 63.7 | Low | 154 Ų | 154 | 146.9 Ų | 146.9 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | | | trans | -61.4 | 97.3 | 168.6 | -101.4 | 125.9 | 0 | 0 | 0 | 106.1 | P65 S69 | P65-L67 PolarHBondContact O-N 2.77Å; L67-S69 PolarHBondContact O-N 2.85Å |
| 68 | K | 61.8 | Low | 65 | Low | 167 Ų | 167 | 151 Ų | 151 | 73% | 0.726 | 78% | 0.78 | S | S | * | * | | | trans | -51.1 | 110.8 | 162.6 | -71.5 | 178.8 | -178.8 | 178.7 | 0 | 105.4 | E66 Y70 | E66-K68 VanDerWaalsContact C-N 3.27Å; E66-K68 PolarHBondContact O-N 3.02Å; K68-Y70 VanDerWaalsContact O-CD2 3.27Å; K68-Y70 WeakPolarHBondContact O-CD2 3.27Å; K68-Y70 PolarHBondContact O-N 2.82Å |
| 69 | S | 63.3 | Low | 66.2 | Low | 109 Ų | 109 | 146.5 Ų | 146.5 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | trans | -60.8 | 102.1 | 178.9 | 45.4 | 0 | 0 | 0 | 0 | 107.2 | L67 K71 | L67-S69 PolarHBondContact O-N 2.85Å; S69-K71 PolarHBondContact O-N 2.76Å |
| 70 | Y | 60.9 | Low | 67.4 | Low | 209 Ų | 209 | 145.7 Ų | 145.7 | 82% | 0.82 | 77% | 0.765 | S | S | * | * | | | trans | -71.7 | 72.5 | 167.6 | -66.5 | -81.1 | 0 | 0 | 0 | 107.5 | K68 A72 | K68-Y70 VanDerWaalsContact O-CD2 3.27Å; K68-Y70 WeakPolarHBondContact O-CD2 3.27Å; K68-Y70 PolarHBondContact O-N 2.82Å; Y70-A72 PolarHBondContact O-N 2.77Å |
| 71 | K | 61.2 | Low | 68.3 | Low | 183 Ų | 183 | 142 Ų | 142 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | | | trans | -87.1 | 48.6 | 160.4 | -140.2 | -174.2 | -171.9 | -169.5 | 0 | 108.3 | S69 V73 | S69-K71 PolarHBondContact O-N 2.76Å; K71-V73 HydrophobicContact CG-CG2 4.37Å; K71-V73 PolarHBondContact O-N 3.06Å |
| 72 | A | 66.6 | Low | 68.7 | Low | 84 Ų | 84 | 134.2 Ų | 134.2 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | | | trans | -87.1 | 71.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | Y70 P74 | Y70-A72 PolarHBondContact O-N 2.77Å; A72-P74 WeakPolarHBondContact O-CD 3.37Å |
| 73 | V | 68.3 | Low | 69.1 | Low | 104 Ų | 104 | 134.3 Ų | 134.3 | 63% | 0.63 | 73% | 0.727 | S | S | * | * | | | trans | -62.5 | 120.5 | 160.5 | 178.6 | 0 | 0 | 0 | 0 | 104.1 | K71 E75 | K71-V73 HydrophobicContact CG-CG2 4.37Å; K71-V73 PolarHBondContact O-N 3.06Å; V73-E75 PolarHBondContact O-N 2.94Å; V73-E75 VanDerWaalsContact O-N 3.1Å |
| 74 | P | 68.9 | Low | 69.2 | Low | 107 Ų | 107 | 135.7 Ų | 135.7 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | | | trans | -52.7 | 124.4 | 172 | -19.9 | 30.5 | 0 | 0 | 0 | 107.1 | A72 I76 | A72-P74 WeakPolarHBondContact O-CD 3.37Å; P74-I76 PolarHBondContact O-N 3.03Å |
| 75 | E | 72.4 | Confident | 69.1 | Low | 189 Ų | 189 | 132.2 Ų | 132.2 | 88% | 0.883 | 71% | 0.711 | S | S | * | * | | | trans | -60.6 | 108.1 | 176.8 | -163.9 | 169.3 | -161 | 0 | 0 | 106.6 | V73 | V73-E75 PolarHBondContact O-N 2.94Å; V73-E75 VanDerWaalsContact O-N 3.1Å |
| 76 | I | 76 | Confident | 69 | Low | 137 Ų | 137 | 135.7 Ų | 135.7 | 70% | 0.703 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 127.5 | -179.5 | -53.4 | 171.9 | 0 | 0 | 0 | 105 | P74 E78 | P74-I76 PolarHBondContact O-N 3.03Å; I76-E78 PolarHBondContact O-N 3.28Å |
| 77 | P | 80.3 | Confident | 68.9 | Low | 114 Ų | 114 | 133.5 Ų | 133.5 | 74% | 0.74 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 132.8 | 176.9 | 20.2 | -29.8 | 0 | 0 | 0 | 109.4 | | |
| 78 | E | 81.6 | Confident | 68.9 | Low | 182 Ų | 182 | 133 Ų | 133 | 85% | 0.85 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 132.4 | 179.1 | -166.3 | 171.1 | -174.7 | 0 | 0 | 109.4 | I76 | I76-E78 PolarHBondContact O-N 3.28Š|
| 79 | P | 79.3 | Confident | 68.9 | Low | 106 Ų | 106 | 132.7 Ų | 132.7 | 69% | 0.688 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -64 | 147.6 | 175.9 | 27.4 | -33.5 | 0 | 0 | 0 | 110 | | |
| 80 | P | 78.1 | Confident | 68.7 | Low | 89 Ų | 89 | 134.4 Ų | 134.4 | 58% | 0.578 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 147.9 | 177.6 | 25.9 | -33.9 | 0 | 0 | 0 | 111.3 | | |
| 81 | S | 77.4 | Confident | 68.6 | Low | 43 Ų | 43 | 130.1 Ų | 130.1 | 30% | 0.301 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 142.3 | 176.8 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | E83 D84 | S81-E83 PolarHBondContact O-N 3.18Å; S81-E83 PolarHBondContact OG-N 2.94Å; S81-E83 PolarHBondContact OG-OE2 3.32Å; S81-E83 VanDerWaalsContact OG-OE2 3.08Å; S81-D84 WeakPolarHBondContact O-CB 3.48Å; S81-D84 PolarHBondContact O-N 2.79Å |
| 82 | P | 68 | Low | 68.6 | Low | 96 Ų | 96 | 128.6 Ų | 128.6 | 62% | 0.623 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -12.7 | 173.4 | 26.2 | -35.3 | 0 | 0 | 0 | 113.4 | | |
| 83 | E | 67.5 | Low | 68 | Low | 172 Ų | 172 | 129.2 Ų | 129.2 | 80% | 0.804 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -25.7 | 173.9 | -61.8 | 158.7 | 168.3 | 0 | 0 | 112.5 | S81 L85 | S81-E83 PolarHBondContact O-N 3.18Å; S81-E83 PolarHBondContact OG-N 2.94Å; S81-E83 PolarHBondContact OG-OE2 3.32Å; S81-E83 VanDerWaalsContact OG-OE2 3.08Å; E83-L85 VanDerWaalsContact C-N 3.3Å |
| 84 | D | 62.9 | Low | 67.6 | Low | 121 Ų | 121 | 132.3 Ų | 132.3 | 65% | 0.647 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -13.2 | 175.3 | -62.8 | -43.3 | 0 | 0 | 0 | 112.2 | S81 E86 | S81-D84 WeakPolarHBondContact O-CB 3.48Å; S81-D84 PolarHBondContact O-N 2.79Å; D84-E86 PolarHBondContact O-N 3.2Å |
| 85 | L | 62 | Low | 67.3 | Low | 108 Ų | 108 | 136.7 Ų | 136.7 | 57% | 0.565 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -86.6 | 98.3 | 172 | -59.2 | 177.1 | 0 | 0 | 0 | 106.7 | E83 I87 | E83-L85 VanDerWaalsContact C-N 3.3Å; L85-I87 VanDerWaalsContact C-N 3.28Å; L85-I87 PolarHBondContact O-N 2.9Å |
| 86 | E | 62 | Low | 66.8 | Low | 184 Ų | 184 | 138 Ų | 138 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | | | trans | -54.9 | 99.9 | 165.1 | -72.4 | -178.8 | 176.1 | 0 | 0 | 107.6 | D84 I88 | D84-E86 PolarHBondContact O-N 3.2Å; E86-I88 VanDerWaalsContact C-N 3.3Å; E86-I88 PolarHBondContact O-N 2.93Å |
| 87 | I | 64 | Low | 66.4 | Low | 146 Ų | 146 | 136.8 Ų | 136.8 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | | | trans | -63.5 | 101 | 172.6 | -60.4 | 167.5 | 0 | 0 | 0 | 104.3 | L85 E89 | L85-I87 VanDerWaalsContact C-N 3.28Å; L85-I87 PolarHBondContact O-N 2.9Å; I87-E89 VanDerWaalsContact C-N 3.27Å; I87-E89 PolarHBondContact O-N 2.97Å |
| 88 | I | 65.3 | Low | 65.4 | Low | 142 Ų | 142 | 137.3 Ų | 137.3 | 73% | 0.728 | 72% | 0.718 | S | S | * | * | | | trans | -59.6 | 102.8 | 166.2 | -57.9 | 171.8 | 0 | 0 | 0 | 104.1 | E86 D90 | E86-I88 VanDerWaalsContact C-N 3.3Å; E86-I88 PolarHBondContact O-N 2.93Å; I88-D90 VanDerWaalsContact C-N 3.25Å; I88-D90 PolarHBondContact O-N 3.04Å |
| 89 | E | 62 | Low | 64.5 | Low | 161 Ų | 161 | 133.7 Ų | 133.7 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | | | trans | -56 | 100.9 | 165.3 | -91.2 | -172.8 | 146.1 | 0 | 0 | 105.7 | I87 V91 | I87-E89 VanDerWaalsContact C-N 3.27Å; I87-E89 PolarHBondContact O-N 2.97Å; E89-V91 HydrophobicContact CB-CG2 4.27Å; E89-V91 PolarHBondContact O-N 2.96Å |
| 90 | D | 58.9 | Low | 63.5 | Low | 146 Ų | 146 | 137.6 Ų | 137.6 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | | | trans | -63.3 | 86 | 162.3 | -94.9 | -25.3 | 0 | 0 | 0 | 106 | I88 L92 | I88-D90 VanDerWaalsContact C-N 3.25Å; I88-D90 PolarHBondContact O-N 3.04Å; D90-L92 PolarHBondContact O-N 2.85Å |
| 91 | V | 57.8 | Low | 62.8 | Low | 119 Ų | 119 | 140 Ų | 140 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | | | trans | -66.7 | 83.7 | 167.1 | -179 | 0 | 0 | 0 | 0 | 106.2 | E89 P93 | E89-V91 HydrophobicContact CB-CG2 4.27Å; E89-V91 PolarHBondContact O-N 2.96Å; V91-P93 VanDerWaalsContact O-CD 3.31Å; V91-P93 WeakPolarHBondContact O-CD 3.31Å |
| 92 | L | 60.4 | Low | 62 | Low | 150 Ų | 150 | 145.1 Ų | 145.1 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | -62.9 | 116.2 | 170.4 | -125.2 | 151.1 | 0 | 0 | 0 | 106.8 | D90 E94 | D90-L92 PolarHBondContact O-N 2.85Å; L92-E94 PolarHBondContact O-N 2.9Å |
| 93 | P | 55.7 | Low | 61.7 | Low | 98 Ų | 98 | 147.8 Ų | 147.8 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | | | trans | -68.5 | 114.7 | 179.6 | 25.8 | -31.3 | 0 | 0 | 0 | 108.8 | V91 K95 | V91-P93 VanDerWaalsContact O-CD 3.31Å; V91-P93 WeakPolarHBondContact O-CD 3.31Å; P93-K95 PolarHBondContact O-N 2.95Å |
| 94 | E | 60 | Low | 61.3 | Low | 169 Ų | 169 | 146.4 Ų | 146.4 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -62.4 | 100.1 | 175.2 | -151.5 | -173.4 | -159 | 0 | 0 | 108.7 | L92 R96 | L92-E94 PolarHBondContact O-N 2.9Å; E94-R96 PolarHBondContact O-N 3.16Å |
| 95 | K | 61.4 | Low | 61.2 | Low | 198 Ų | 198 | 148 Ų | 148 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | | | trans | -71.6 | 99.4 | 173.8 | -70 | -163.3 | 179.7 | -177.9 | 0 | 108.6 | P93 | P93-K95 PolarHBondContact O-N 2.95Š|
| 96 | R | 62.2 | Low | 61.2 | Low | 217 Ų | 217 | 150.7 Ų | 150.7 | 82% | 0.819 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 132.3 | 165.2 | -69.2 | -174.5 | -169.3 | 172.5 | 4.3 | 109.8 | E94 | E94-R96 PolarHBondContact O-N 3.16Š|
| 97 | P | 68.8 | Low | 61.1 | Low | 112 Ų | 112 | 148.3 Ų | 148.3 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 150.3 | 168 | 28.9 | -31.4 | 0 | 0 | 0 | 110.4 | A99 | P97-A99 PolarHBondContact O-N 3.23Š|
| 98 | P | 59.2 | Low | 60.9 | Low | 125 Ų | 125 | 148.5 Ų | 148.5 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 127.4 | 170.7 | 27.6 | -32.1 | 0 | 0 | 0 | 108.8 | S100 | P98-S100 PolarHBondContact O-N 3.3Š|
| 99 | A | 61.7 | Low | 60.5 | Low | 106 Ų | 106 | 149 Ų | 149 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 123.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | P97 | P97-A99 PolarHBondContact O-N 3.23Š|
| 100 | S | 58.3 | Low | 60.4 | Low | 187 Ų | 187 | 147.9 Ų | 147.9 | 100% | 1.308 | 83% | 0.829 | S | S | * | * | | | trans | -83.9 | 0 | 169.2 | 178.6 | 0 | 0 | 0 | 0 | 111 | P98 | P98-S100 PolarHBondContact O-N 3.3Š|