| 1 | M | 47.7 | Very low | 56.6 | Low | 238 Ų | 238 | 137.7 Ų | 137.7 | 100% | 1.172 | 83% | 0.829 | S | S | * | * | | | | 0 | 68 | 0 | 36.8 | -178.4 | 161.4 | 0 | 0 | 106.9 | | |
| 2 | S | 44.4 | Very low | 55.9 | Low | 125 Ų | 125 | 131.8 Ų | 131.8 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | | | | 54.6 | 80.9 | 98.6 | -82.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 3 | S | 56.8 | Low | 55.8 | Low | 107 Ų | 107 | 132.1 Ų | 132.1 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | | | trans | -56.8 | 135.7 | 148.5 | -39.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 4 | D | 56.4 | Low | 55.4 | Low | 159 Ų | 159 | 131.1 Ų | 131.1 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | | | trans | -150.9 | 117.7 | 144.6 | -115.7 | -56.6 | 0 | 0 | 0 | 109.5 | | |
| 5 | P | 70 | Confident | 54.9 | Low | 103 Ų | 103 | 128.3 Ų | 128.3 | 67% | 0.669 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -78 | 156.2 | 169 | 31.3 | -31.8 | 0 | 0 | 0 | 111.6 | | |
| 6 | P | 62.2 | Low | 54.4 | Low | 118 Ų | 118 | 128.1 Ų | 128.1 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 153.6 | 179.8 | 26.9 | -34.4 | 0 | 0 | 0 | 112.6 | | |
| 7 | P | 64.5 | Low | 54 | Low | 109 Ų | 109 | 129.9 Ų | 129.9 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 155.4 | -172.3 | 27 | -34.7 | 0 | 0 | 0 | 113.3 | | |
| 8 | P | 60.7 | Low | 53.8 | Low | 126 Ų | 126 | 132.2 Ų | 132.2 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 131.7 | -177.3 | -7.2 | 23.8 | 0 | 0 | 0 | 110.8 | | |
| 9 | Y | 52.1 | Low | 53.7 | Low | 226 Ų | 226 | 134.9 Ų | 134.9 | 89% | 0.886 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 133.1 | 168.9 | -84.4 | -89.3 | 0 | 0 | 0 | 110.2 | | |
| 10 | P | 57.3 | Low | 53.4 | Low | 124 Ų | 124 | 137.6 Ų | 137.6 | 81% | 0.805 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 135.9 | -177.1 | 18.1 | -20.7 | 0 | 0 | 0 | 111.6 | | |
| 11 | G | 50.3 | Low | 53.1 | Low | 80 Ų | 80 | 140.9 Ų | 140.9 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 141.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 12 | G | 48.6 | Very low | 53.2 | Low | 67 Ų | 67 | 136.7 Ų | 136.7 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 148.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | S14 | G12-S14 PolarHBondContact O-N 3.27Š|
| 13 | P | 55.1 | Low | 52.8 | Low | 135 Ų | 135 | 134.3 Ų | 134.3 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 126.2 | -168.8 | 23 | -31.7 | 0 | 0 | 0 | 114.1 | | |
| 14 | S | 49.8 | Very low | 51.7 | Low | 118 Ų | 118 | 137.8 Ų | 137.8 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | -9.1 | 121.8 | 161 | -45.5 | 0 | 0 | 0 | 0 | 118.9 | G12 | G12-S14 PolarHBondContact O-N 3.27Š|
| 15 | A | 48.1 | Very low | 51.4 | Low | 90 Ų | 90 | 135 Ų | 135 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 144.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 16 | P | 46.3 | Very low | 49.7 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 137.6 | 178.7 | 25.8 | -29.5 | 0 | 0 | 0 | 112.2 | | |
| 17 | L | 47.3 | Very low | 48.6 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 127.9 | 177.5 | -71.7 | 176.8 | 0 | 0 | 0 | 111.7 | | |
| 18 | I | 51.6 | Low | 47.1 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | | | trans | -99.4 | 105.1 | 154.4 | 50.6 | 167.3 | 0 | 0 | 0 | 107.6 | | |
| 19 | E | 50.8 | Low | 46.2 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | | | trans | -85.6 | 119.6 | 173.8 | -152.8 | 169.7 | 104.7 | 0 | 0 | 107.9 | | |
| 20 | E | 49.2 | Very low | 45.5 | Very low | 188 Ų | 188 | 140.7 Ų | 140.7 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | | | trans | -101.2 | 117.9 | 178.3 | -166.1 | -160.3 | 119.7 | 0 | 0 | 108.6 | | |
| 21 | K | 45.6 | Very low | 44.4 | Very low | 207 Ų | 207 | 140.7 Ų | 140.7 | 90% | 0.9 | 81% | 0.811 | S | S | * | * | | | trans | -163.3 | 134.8 | 150.5 | -154.4 | 164.2 | 166.3 | -175.8 | 0 | 115.3 | | |
| 22 | N | 49.6 | Very low | 43.9 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | | | trans | -83.4 | 151.4 | -170.3 | -162.5 | 8.1 | 0 | 0 | 0 | 114.9 | | |
| 23 | G | 36.3 | Very low | 43.5 | Very low | 74 Ų | 74 | 147 Ų | 147 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | | | trans | 172.2 | 105 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 24 | Q | 35.1 | Very low | 42.9 | Very low | 181 Ų | 181 | 148.7 Ų | 148.7 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | -78.5 | 177.8 | 171.6 | -118.7 | 160.4 | -78.7 | 0 | 0 | 112.2 | | |
| 25 | P | 48.3 | Very low | 42.2 | Very low | 101 Ų | 101 | 146.7 Ų | 146.7 | 66% | 0.656 | 81% | 0.806 | S | S | * | * | | | cis | -140.2 | 169.2 | 2 | 30.5 | -5.3 | 0 | 0 | 0 | 118.5 | | |
| 26 | E | 36.1 | Very low | 42 | Very low | 172 Ų | 172 | 150.8 Ų | 150.8 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | 62.6 | 114.8 | 145.8 | -66.8 | -168.1 | 136.5 | 0 | 0 | 126.1 | | |
| 27 | T | 37.9 | Very low | 41.7 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | | | trans | 59.3 | 115 | 139.8 | 49.4 | 0 | 0 | 0 | 0 | 122 | | |
| 28 | V | 33.5 | Very low | 41.7 | Very low | 142 Ų | 142 | 151.4 Ų | 151.4 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | | | | -177.3 | 114.8 | 115.7 | 153.4 | 0 | 0 | 0 | 0 | 110 | | |
| 29 | R | 40.8 | Very low | 41.4 | Very low | 235 Ų | 235 | 150.5 Ų | 150.5 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | | | trans | 32.6 | 111 | 144.2 | -134.3 | 175.8 | -169.2 | 179.4 | 2 | 119.1 | | |
| 30 | T | 37.8 | Very low | 41.2 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | | 150.4 | 129.8 | 116 | -55.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 31 | T | 35 | Very low | 41.4 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | | | trans | 91 | 97.8 | 170.8 | -35.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 32 | Q | 39.7 | Very low | 41.7 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | | | trans | -65.2 | 145.5 | 155.1 | -96.6 | -178.8 | -19.4 | 0 | 0 | 109.8 | | |
| 33 | P | 39.8 | Very low | 42.3 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | | | trans | -126.7 | 115.8 | 130.2 | 26.9 | -12.2 | 0 | 0 | 0 | 110.1 | | |
| 34 | Q | 41.6 | Very low | 43.5 | Very low | 170 Ų | 170 | 143 Ų | 143 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | | | trans | -66.2 | 131.8 | 158 | -70.6 | 173.3 | -75.7 | 0 | 0 | 107.9 | | |
| 35 | G | 35.3 | Very low | 44.9 | Very low | 76 Ų | 76 | 139.8 Ų | 139.8 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | | | trans | -157.5 | 79.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 36 | Q | 44.9 | Very low | 45 | Very low | 176 Ų | 176 | 140.6 Ų | 140.6 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 148.4 | 163.9 | -111.6 | 148.6 | -99.2 | 0 | 0 | 110.3 | L38 | Q36-L38 PolarHBondContact O-N 3.22Š|
| 37 | P | 40.3 | Very low | 45.8 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 118.3 | 173.2 | -16 | 28.7 | 0 | 0 | 0 | 110 | L39 | P37-L39 PolarHBondContact O-N 3.45Š|
| 38 | L | 46.4 | Very low | 46.5 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 116.1 | 176 | -63.6 | 175 | 0 | 0 | 0 | 109.4 | Q36 | Q36-L38 PolarHBondContact O-N 3.22Š|
| 39 | L | 45.3 | Very low | 47.7 | Very low | 152 Ų | 152 | 140 Ų | 140 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 144.8 | 155.8 | -83.3 | 148.3 | 0 | 0 | 0 | 109 | P37 D41 | P37-L39 PolarHBondContact O-N 3.45Å; L39-D41 VanDerWaalsContact C-N 3.32Å; L39-D41 PolarHBondContact O-N 3.19Å |
| 40 | P | 47.6 | Very low | 48 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -63.2 | 98.1 | 158.7 | -18 | 31.6 | 0 | 0 | 0 | 108.5 | Y42 | P40-Y42 VanDerWaalsContact C-N 3.32Å; P40-Y42 PolarHBondContact O-N 3.22Å |
| 41 | D | 53 | Low | 48.6 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -68.1 | 89.7 | 170.4 | -165.7 | -87.8 | 0 | 0 | 0 | 108.3 | L39 G43 | L39-D41 VanDerWaalsContact C-N 3.32Å; L39-D41 PolarHBondContact O-N 3.19Å; D41-G43 PolarHBondContact O-N 2.8Å; D41-G43 PolarHBondContact OD1-N 3.48Å |
| 42 | Y | 51.3 | Low | 49.4 | Very low | 227 Ų | 227 | 137.6 Ų | 137.6 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | | | trans | -87.7 | 72 | 159.1 | -93.5 | -83.4 | 0 | 0 | 0 | 107.9 | P40 | P40-Y42 VanDerWaalsContact C-N 3.32Å; P40-Y42 PolarHBondContact O-N 3.22Å |
| 43 | G | 61.6 | Low | 50 | Low | 37 Ų | 37 | 133.1 Ų | 133.1 | 38% | 0.381 | 77% | 0.765 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 154.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111 | D41 | D41-G43 PolarHBondContact O-N 2.8Å; D41-G43 PolarHBondContact OD1-N 3.48Å |
| 44 | P | 61.8 | Low | 50.2 | Low | 120 Ų | 120 | 137.2 Ų | 137.2 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 148.1 | 168.1 | 27.4 | -33.1 | 0 | 0 | 0 | 109.9 | | |
| 45 | P | 64.3 | Low | 50.8 | Low | 114 Ų | 114 | 137.3 Ų | 137.3 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 146.5 | -176.9 | 24.6 | -34 | 0 | 0 | 0 | 111.1 | Y47 | P45-Y47 PolarHBondContact O-N 3.28Š|
| 46 | P | 51.5 | Low | 51.5 | Low | 119 Ų | 119 | 139 Ų | 139 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 125.2 | 174 | -11.5 | 25.2 | 0 | 0 | 0 | 107.9 | E48 | P46-E48 PolarHBondContact O-N 3.2Š|
| 47 | Y | 52.3 | Low | 51.9 | Low | 214 Ų | 214 | 136.2 Ų | 136.2 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | | | trans | -67.7 | 105.9 | 164.8 | 62.6 | -84.1 | 0 | 0 | 0 | 106.5 | P45 G49 | P45-Y47 PolarHBondContact O-N 3.28Å; Y47-G49 PolarHBondContact O-N 3.45Å |
| 48 | E | 53.3 | Low | 52.5 | Low | 167 Ų | 167 | 138.6 Ų | 138.6 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | | | trans | -61.8 | 121.6 | 165 | -83.9 | 174.4 | 74 | 0 | 0 | 107.5 | P46 | P46-E48 PolarHBondContact O-N 3.2Š|
| 49 | G | 57.7 | Low | 52.6 | Low | 47 Ų | 47 | 137 Ų | 137 | 49% | 0.485 | 77% | 0.767 | S | S | . | * | | | trans | -61 | 162.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y47 Q51 | Y47-G49 PolarHBondContact O-N 3.45Å; G49-Q51 PolarHBondContact O-N 3.11Å |
| 50 | P | 48.3 | Very low | 52.9 | Low | 135 Ų | 135 | 135.8 Ų | 135.8 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | | | trans | -62.8 | 112.8 | -173.1 | -17.3 | 29.7 | 0 | 0 | 0 | 111.3 | | |
| 51 | Q | 49.1 | Very low | 52.8 | Low | 165 Ų | 165 | 133.2 Ų | 133.2 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | | | trans | -68.6 | 129.2 | 167.8 | -76.6 | -165.3 | -75 | 0 | 0 | 109.8 | G49 | G49-Q51 PolarHBondContact O-N 3.11Š|
| 52 | P | 51.5 | Low | 52.5 | Low | 132 Ų | 132 | 134.7 Ų | 134.7 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -81.8 | 121.5 | 172 | 30.1 | -27.7 | 0 | 0 | 0 | 109.7 | | |
| 53 | G | 52.1 | Low | 52.6 | Low | 66 Ų | 66 | 126.6 Ų | 126.6 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | | | trans | 123.8 | 39.3 | 153.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 54 | F | 45.9 | Very low | 52.1 | Low | 206 Ų | 206 | 131.3 Ų | 131.3 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | | | trans | -116.9 | 104 | 156.1 | -86.4 | -84.7 | 0 | 0 | 0 | 110.4 | P56 | F54-P56 VanDerWaalsContact O-CD 3.28Å; F54-P56 WeakPolarHBondContact O-CD 3.44Å |
| 55 | L | 52.4 | Low | 51.9 | Low | 172 Ų | 172 | 132.7 Ų | 132.7 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | | | trans | -86.9 | 112.2 | 173.2 | -71.8 | 162.6 | 0 | 0 | 0 | 109.2 | | |
| 56 | P | 51.2 | Low | 51.7 | Low | 113 Ų | 113 | 132.9 Ų | 132.9 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 148.1 | 163 | 27.2 | -30 | 0 | 0 | 0 | 110.8 | F54 | F54-P56 VanDerWaalsContact O-CD 3.28Å; F54-P56 WeakPolarHBondContact O-CD 3.44Å |
| 57 | P | 53 | Low | 52.1 | Low | 116 Ų | 116 | 135.5 Ų | 135.5 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 138.5 | -179.4 | -21.6 | 32.3 | 0 | 0 | 0 | 113 | V59 | P57-V59 PolarHBondContact O-N 3.24Š|
| 58 | H | 53.3 | Low | 52.7 | Low | 177 Ų | 177 | 131.1 Ų | 131.1 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 122 | 175.7 | 46.9 | -82.3 | 0 | 0 | 0 | 112.2 | | |
| 59 | V | 48.9 | Very low | 53.4 | Low | 137 Ų | 137 | 131.5 Ų | 131.5 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | | | trans | -110.1 | 123.2 | 155.8 | -127.6 | 0 | 0 | 0 | 0 | 106.6 | P57 | P57-V59 PolarHBondContact O-N 3.24Š|
| 60 | P | 49.9 | Very low | 53.8 | Low | 126 Ų | 126 | 134.9 Ų | 134.9 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -78.3 | 125.8 | -176 | -0.1 | 16.9 | 0 | 0 | 0 | 109.7 | | |
| 61 | G | 46.1 | Very low | 54.7 | Low | 60 Ų | 60 | 133.6 Ų | 133.6 | 62% | 0.619 | 78% | 0.784 | S | S | * | * | | | trans | 160.6 | 80.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 62 | E | 46.7 | Very low | 55.1 | Low | 179 Ų | 179 | 130.7 Ų | 130.7 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | | | trans | 63.7 | 118.6 | 138.7 | -6.2 | -170.1 | 159.1 | 0 | 0 | 118.7 | | |
| 63 | G | 53.7 | Low | 55.3 | Low | 57 Ų | 57 | 133.6 Ų | 133.6 | 59% | 0.588 | 78% | 0.784 | S | S | * | * | | | trans | -63.2 | -175.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | M65 | G63-M65 PolarHBondContact O-N 3.34Š|
| 64 | P | 51.6 | Low | 55.6 | Low | 135 Ų | 135 | 139 Ų | 139 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | trans | -64.7 | 101.4 | 178.3 | 26.6 | -31.5 | 0 | 0 | 0 | 109.3 | | |
| 65 | M | 56.3 | Low | 56.1 | Low | 150 Ų | 150 | 132.9 Ų | 132.9 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64 | 132 | 170.8 | -65 | -70.8 | -84.7 | 0 | 0 | 108.5 | G63 M67 | G63-M65 PolarHBondContact O-N 3.34Å; M65-M67 PolarHBondContact O-N 2.86Å |
| 66 | P | 60.2 | Low | 55.8 | Low | 118 Ų | 118 | 132.4 Ų | 132.4 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 128.8 | 172 | 26.7 | -31.2 | 0 | 0 | 0 | 108.9 | | |
| 67 | M | 60.6 | Low | 56 | Low | 174 Ų | 174 | 132.1 Ų | 132.1 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 135.8 | 176.1 | -66.8 | -74.4 | -98.8 | 0 | 0 | 110.3 | M65 M69 | M65-M67 PolarHBondContact O-N 2.86Å; M67-M69 PolarHBondContact O-N 3.44Å |
| 68 | P | 64.6 | Low | 56 | Low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 117.2 | 177.7 | 27 | -29.6 | 0 | 0 | 0 | 110.2 | | |
| 69 | M | 67.8 | Low | 56.6 | Low | 176 Ų | 176 | 133 Ų | 133 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 133.3 | 164.8 | 28.5 | -179 | 163.7 | 0 | 0 | 110.4 | M67 | M67-M69 PolarHBondContact O-N 3.44Š|
| 70 | P | 67.1 | Low | 57.3 | Low | 117 Ų | 117 | 131.3 Ų | 131.3 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 144.2 | 177.1 | 27 | -32.6 | 0 | 0 | 0 | 111 | | |
| 71 | P | 66.5 | Low | 58 | Low | 108 Ų | 108 | 130 Ų | 130 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 150.5 | -175.1 | 27.4 | -33.9 | 0 | 0 | 0 | 112 | M73 | P71-M73 PolarHBondContact O-N 3.32Š|
| 72 | P | 58.7 | Low | 58.4 | Low | 104 Ų | 104 | 133.8 Ų | 133.8 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 117.7 | 169.1 | 28.9 | -30.9 | 0 | 0 | 0 | 108 | Q74 | P72-Q74 PolarHBondContact O-N 3.12Š|
| 73 | M | 55 | Low | 58.9 | Low | 194 Ų | 194 | 128.1 Ų | 128.1 | 96% | 0.956 | 77% | 0.773 | S | S | * | * | | | trans | -69 | 85.2 | 171 | -75.9 | -155.8 | 156.7 | 0 | 0 | 109.4 | P71 | P71-M73 PolarHBondContact O-N 3.32Š|
| 74 | Q | 58.3 | Low | 58.9 | Low | 180 Ų | 180 | 131.6 Ų | 131.6 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | | | trans | -80.9 | 119 | 164.2 | -65.9 | -176.7 | -7.5 | 0 | 0 | 108.1 | P72 | P72-Q74 PolarHBondContact O-N 3.12Š|
| 75 | G | 57.1 | Low | 58.8 | Low | 76 Ų | 76 | 133.3 Ų | 133.3 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | | | trans | 104.9 | 40.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 76 | M | 45.2 | Very low | 58.5 | Low | 163 Ų | 163 | 130.8 Ų | 130.8 | 80% | 0.803 | 77% | 0.77 | S | S | * | * | | | trans | -123.5 | 107.7 | 156.7 | -75.3 | -143.2 | -155.2 | 0 | 0 | 111.8 | Y78 | M76-Y78 HydrophobicContact CB-CE2 4.37Å; M76-Y78 PolarHBondContact O-N 2.9Å |
| 77 | A | 56.5 | Low | 58.4 | Low | 106 Ų | 106 | 132.9 Ų | 132.9 | 88% | 0.876 | 77% | 0.769 | S | S | * | * | | | trans | -65.4 | 106 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 78 | Y | 51.8 | Low | 58.4 | Low | 197 Ų | 197 | 130.4 Ų | 130.4 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 134.2 | 162.3 | -72.9 | -87.8 | 0 | 0 | 0 | 108.7 | M76 | M76-Y78 HydrophobicContact CB-CE2 4.37Å; M76-Y78 PolarHBondContact O-N 2.9Å |
| 79 | P | 66.3 | Low | 58.3 | Low | 115 Ų | 115 | 132.8 Ų | 132.8 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 138.3 | 173.7 | 27.2 | -32.3 | 0 | 0 | 0 | 110.2 | | |
| 80 | P | 63.5 | Low | 58 | Low | 101 Ų | 101 | 130.1 Ų | 130.1 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 146.6 | 177.4 | 28.2 | -33.4 | 0 | 0 | 0 | 111.3 | | |
| 81 | P | 63.6 | Low | 58 | Low | 99 Ų | 99 | 129.5 Ų | 129.5 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 140.9 | 176.6 | 26 | -32.4 | 0 | 0 | 0 | 111.4 | G83 H84 | P81-G83 PolarHBondContact O-N 3.12Å; P81-H84 PolarHBondContact O-CE1 2.03Å; P81-H84 VanDerWaalsContact O-CE1 3.22Å; P81-H84 PolarHBondContact O-ND1 3.22Å |
| 82 | P | 54.5 | Low | 57.6 | Low | 139 Ų | 139 | 129.8 Ų | 129.8 | 90% | 0.903 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 113.5 | 179.9 | 28.5 | -29.6 | 0 | 0 | 0 | 109.8 | | |
| 83 | G | 58.1 | Low | 57.5 | Low | 61 Ų | 61 | 133.8 Ų | 133.8 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 161.9 | -3.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | P81 F85 | P81-G83 PolarHBondContact O-N 3.12Å; G83-F85 WeakPolarHBondContact O-CE1 3.28Å |
| 84 | H | 53 | Low | 57.6 | Low | 130 Ų | 130 | 133.2 Ų | 133.2 | 60% | 0.602 | 77% | 0.77 | S | S | * | * | | | trans | -102.2 | 99.7 | 179.3 | 44.7 | -77.2 | 0 | 0 | 0 | 110.9 | P81 A86 | P81-H84 PolarHBondContact O-CE1 2.03Å; P81-H84 VanDerWaalsContact O-CE1 3.22Å; P81-H84 PolarHBondContact O-ND1 3.22Å; H84-A86 PolarHBondContact O-N 3.08Å |
| 85 | F | 51 | Low | 57.6 | Low | 170 Ų | 170 | 128.8 Ų | 128.8 | 75% | 0.746 | 77% | 0.773 | S | S | * | * | | | trans | -47.4 | 115.1 | 162.1 | 29.3 | -87.2 | 0 | 0 | 0 | 109.9 | G83 H87 | G83-F85 WeakPolarHBondContact O-CE1 3.28Å; F85-H87 PolarHBondContact O-N 3.07Å |
| 86 | A | 48.4 | Very low | 57.1 | Low | 98 Ų | 98 | 128 Ų | 128 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | trans | -67.8 | 115.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110 | H84 | H84-A86 PolarHBondContact O-N 3.08Š|
| 87 | H | 59.7 | Low | 57.3 | Low | 161 Ų | 161 | 126.8 Ų | 126.8 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 134.6 | 159 | -73.2 | -82.7 | 0 | 0 | 0 | 108.5 | F85 M89 | F85-H87 PolarHBondContact O-N 3.07Å; H87-M89 PolarHBondContact O-N 3.25Å |
| 88 | P | 59.3 | Low | 57 | Low | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 132.9 | 179.7 | 25.2 | -30 | 0 | 0 | 0 | 111.2 | | |
| 89 | M | 63.5 | Low | 57.3 | Low | 172 Ų | 172 | 128.5 Ų | 128.5 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 141.6 | 170.7 | 63.4 | -169.6 | -165.7 | 0 | 0 | 112 | H87 | H87-M89 PolarHBondContact O-N 3.25Š|
| 90 | P | 61.7 | Low | 57.3 | Low | 120 Ų | 120 | 128.7 Ų | 128.7 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 143 | 168.9 | 29.6 | -31.2 | 0 | 0 | 0 | 111.6 | | |
| 91 | P | 67.4 | Low | 56.9 | Low | 104 Ų | 104 | 129.8 Ų | 129.8 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 159.2 | -179.8 | 30.4 | -33.8 | 0 | 0 | 0 | 112.9 | M93 | P91-M93 PolarHBondContact O-N 3.21Š|
| 92 | P | 57.3 | Low | 56.2 | Low | 114 Ų | 114 | 129.9 Ų | 129.9 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -74 | 125.8 | -179 | 29.7 | -31.5 | 0 | 0 | 0 | 110.8 | Q94 | P92-Q94 PolarHBondContact O-N 2.93Å; P92-Q94 VanDerWaalsContact O-N 3.11Å |
| 93 | M | 56.8 | Low | 55.7 | Low | 187 Ų | 187 | 126.5 Ų | 126.5 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | | | trans | -73.6 | 99.3 | 178.5 | -66.3 | -115.7 | 152.3 | 0 | 0 | 110.2 | P91 | P91-M93 PolarHBondContact O-N 3.21Š|
| 94 | Q | 57.6 | Low | 54.9 | Low | 182 Ų | 182 | 130.7 Ų | 130.7 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | | | trans | -87.3 | 141.1 | 163 | -71.1 | -171.5 | 54.7 | 0 | 0 | 109.8 | P92 | P92-Q94 PolarHBondContact O-N 2.93Å; P92-Q94 VanDerWaalsContact O-N 3.11Å |
| 95 | G | 56.7 | Low | 54.3 | Low | 88 Ų | 88 | 134.3 Ų | 134.3 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | | | trans | -60.4 | 149.1 | -161.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 96 | G | 46.8 | Very low | 53.7 | Low | 60 Ų | 60 | 129.8 Ų | 129.8 | 62% | 0.619 | 79% | 0.786 | S | S | * | * | | | trans | -174 | 152.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 97 | P | 50.7 | Low | 53.6 | Low | 136 Ų | 136 | 132.9 Ų | 132.9 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 135.4 | -166 | -8.5 | 26.6 | 0 | 0 | 0 | 113.4 | | |
| 98 | Y | 48.7 | Very low | 52.7 | Low | 219 Ų | 219 | 131.2 Ų | 131.2 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 144.8 | 179.9 | -59.8 | -89.7 | 0 | 0 | 0 | 113.7 | | |
| 99 | P | 58.4 | Low | 52.3 | Low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 141.5 | 163 | 34 | -29.4 | 0 | 0 | 0 | 112.6 | | |
| 100 | P | 66.4 | Low | 51.6 | Low | 120 Ų | 120 | 128.8 Ų | 128.8 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 152.1 | 170.5 | 37 | -30.4 | 0 | 0 | 0 | 110.9 | | |
| 101 | P | 55.8 | Low | 50.7 | Low | 124 Ų | 124 | 126.3 Ų | 126.3 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | | | | -164 | -165.1 | 102.1 | 41.7 | -20.2 | 0 | 0 | 0 | 114.3 | | |
| 102 | P | 48.2 | Very low | 49.8 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | | | cis | -132.8 | 130.9 | -23.2 | 16.4 | 6.7 | 0 | 0 | 0 | 115.1 | H104 | P102-H104 PolarHBondContact O-CE1 3.23Å; P102-H104 VanDerWaalsContact O-CE1 3.32Å |
| 103 | G | 44.4 | Very low | 48.8 | Very low | 68 Ų | 68 | 134.3 Ų | 134.3 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | | | trans | 52.4 | 170 | 150.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 104 | H | 42.2 | Very low | 48 | Very low | 149 Ų | 149 | 128.7 Ų | 128.7 | 69% | 0.69 | 79% | 0.789 | S | S | * | * | | | cis | -179.1 | 123.3 | 21.4 | -22.4 | 59.5 | 0 | 0 | 0 | 100.1 | P102 | P102-H104 PolarHBondContact O-CE1 3.23Å; P102-H104 VanDerWaalsContact O-CE1 3.32Å |
| 105 | F | 40.1 | Very low | 48 | Very low | 207 Ų | 207 | 126.5 Ų | 126.5 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | | | cis | -162.6 | 148.2 | 40.8 | -87.4 | -96.7 | 0 | 0 | 0 | 109 | | |
| 106 | G | 37.6 | Very low | 47.3 | Very low | 74 Ų | 74 | 125.6 Ų | 125.6 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | | | trans | 87.7 | 82.3 | 145.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 107 | Q | 45.9 | Very low | 47.6 | Very low | 163 Ų | 163 | 129 Ų | 129 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | -86.2 | 152.7 | 140.1 | -81.5 | -81.1 | -56.1 | 0 | 0 | 108.5 | | |
| 108 | P | 40.9 | Very low | 47 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | | -129.7 | 155 | 103.5 | 31.5 | -18.7 | 0 | 0 | 0 | 114.4 | | |
| 109 | V | 51.9 | Low | 47.1 | Very low | 120 Ų | 120 | 123.6 Ų | 123.6 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | -56.1 | 151.7 | -172.2 | 163.5 | 0 | 0 | 0 | 0 | 115 | | |
| 110 | P | 48 | Very low | 46.1 | Very low | 124 Ų | 124 | 127 Ų | 127 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | | | trans | -80.6 | 120.1 | -178.2 | 31.6 | -31 | 0 | 0 | 0 | 111.7 | | |
| 111 | G | 42.1 | Very low | 45.1 | Very low | 67 Ų | 67 | 127.5 Ų | 127.5 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | trans | -131.9 | 108.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 112 | Q | 49 | Very low | 44.4 | Very low | 191 Ų | 191 | 129.8 Ų | 129.8 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | | | trans | 27.5 | 114.5 | 141.9 | -53.2 | -74.9 | 21.1 | 0 | 0 | 118.2 | | |
| 113 | M | 36.1 | Very low | 44.4 | Very low | 195 Ų | 195 | 131.6 Ų | 131.6 | 96% | 0.961 | 79% | 0.792 | S | S | * | * | | | | 150.1 | 115.3 | 129.5 | -175.9 | 161.6 | -160 | 0 | 0 | 113.7 | | |
| 114 | G | 40.4 | Very low | 44.4 | Very low | 69 Ų | 69 | 130.7 Ų | 130.7 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | trans | 85.4 | 148.8 | 138.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 115 | P | 58.8 | Low | 44.4 | Very low | 137 Ų | 137 | 128.2 Ų | 128.2 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | | | trans | -92.2 | 143.6 | -172.5 | 36.7 | -31.2 | 0 | 0 | 0 | 112.6 | | |
| 116 | G | 40.6 | Very low | 44.8 | Very low | 68 Ų | 68 | 127.4 Ų | 127.4 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | trans | -175.5 | 147.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 117 | P | 54.1 | Low | 45.4 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | | | trans | -92.1 | 131.7 | -155.1 | 35.1 | -29.7 | 0 | 0 | 0 | 112.3 | | |
| 118 | G | 37 | Very low | 45.4 | Very low | 67 Ų | 67 | 125.6 Ų | 125.6 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | trans | -144.4 | 103.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 119 | H | 51.3 | Low | 45.6 | Very low | 176 Ų | 176 | 125 Ų | 125 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | | | trans | -70 | 127.5 | 179.3 | -76.4 | -141.6 | 0 | 0 | 0 | 112.7 | | |
| 120 | F | 38.2 | Very low | 45.3 | Very low | 190 Ų | 190 | 125.2 Ų | 125.2 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | | | trans | -163.3 | 97.5 | 136.8 | 25.8 | -106.7 | 0 | 0 | 0 | 112.1 | | |
| 121 | V | 44.9 | Very low | 45.3 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | | | trans | 31.7 | 106.5 | 133.7 | -167.2 | 0 | 0 | 0 | 0 | 118.4 | V123 | V121-V123 HydrophobicContact CG1-CG2 4.08Š|
| 122 | H | 39.8 | Very low | 45.2 | Very low | 172 Ų | 172 | 127.7 Ų | 127.7 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | | | trans | -129.2 | 102 | 141.8 | -164.9 | -73.1 | 0 | 0 | 0 | 108.7 | G124 | H122-G124 PolarHBondContact O-N 3.29Š|
| 123 | V | 48.2 | Very low | 44.8 | Very low | 138 Ų | 138 | 124.2 Ų | 124.2 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | | | trans | -78.6 | 98.7 | 171.7 | 173.4 | 0 | 0 | 0 | 0 | 106.9 | V121 | V121-V123 HydrophobicContact CG1-CG2 4.08Š|
| 124 | G | 46.3 | Very low | 45.3 | Very low | 48 Ų | 48 | 121.7 Ų | 121.7 | 50% | 0.495 | 76% | 0.763 | S | S | . | * | S | Bend | trans | 173.5 | 103.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H122 | H122-G124 PolarHBondContact O-N 3.29Š|
| 125 | S | 41.8 | Very low | 45.7 | Very low | 98 Ų | 98 | 121.6 Ų | 121.6 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | trans | 51.6 | 96.1 | 161.2 | -167.1 | 0 | 0 | 0 | 0 | 116.6 | T127 | S125-T127 PolarHBondContact O-N 3.21Š|
| 126 | H | 47.3 | Very low | 45.3 | Very low | 190 Ų | 190 | 120.4 Ų | 120.4 | 88% | 0.88 | 76% | 0.764 | S | S | * | * | | | trans | -73.4 | 72.1 | 167.3 | 47.3 | -91.5 | 0 | 0 | 0 | 110.7 | A128 | H126-A128 VanDerWaalsContact C-N 3.32Å; H126-A128 PolarHBondContact O-N 2.77Å; H126-A128 VanDerWaalsContact O-N 3.15Å |
| 127 | T | 50.5 | Low | 45.2 | Very low | 110 Ų | 110 | 121 Ų | 121 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | | | trans | -77.6 | 89.2 | 157.5 | 39.2 | 0 | 0 | 0 | 0 | 108 | S125 T129 | S125-T127 PolarHBondContact O-N 3.21Å; T127-T129 VanDerWaalsContact C-N 3.32Å; T127-T129 PolarHBondContact O-N 3.26Å |
| 128 | A | 46.6 | Very low | 44.8 | Very low | 88 Ų | 88 | 121.4 Ų | 121.4 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | -70.1 | 91.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | H126 V130 | H126-A128 VanDerWaalsContact C-N 3.32Å; H126-A128 PolarHBondContact O-N 2.77Å; H126-A128 VanDerWaalsContact O-N 3.15Å; A128-V130 VanDerWaalsContact C-N 3.33Å; A128-V130 PolarHBondContact O-N 3.34Å |
| 129 | T | 44.5 | Very low | 45.3 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | trans | -78.4 | 89.2 | 172.6 | -51.2 | 0 | 0 | 0 | 0 | 107.6 | T127 L131 | T127-T129 VanDerWaalsContact C-N 3.32Å; T127-T129 PolarHBondContact O-N 3.26Å; T129-L131 PolarHBondContact O-N 3.35Å |
| 130 | V | 47 | Very low | 45.2 | Very low | 123 Ų | 123 | 121.3 Ų | 121.3 | 75% | 0.745 | 76% | 0.761 | S | S | * | * | | | trans | -76.3 | 103.3 | 170 | -179.4 | 0 | 0 | 0 | 0 | 107.3 | A128 A132 | A128-V130 VanDerWaalsContact C-N 3.33Å; A128-V130 PolarHBondContact O-N 3.34Å; V130-A132 PolarHBondContact O-N 3.5Å; V130-A132 VanDerWaalsContact O-N 3.12Å |
| 131 | L | 46.3 | Very low | 45.6 | Very low | 167 Ų | 167 | 117.2 Ų | 117.2 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | | | trans | -68.6 | 100.4 | 168.6 | -76.3 | 151.7 | 0 | 0 | 0 | 108.4 | T129 | T129-L131 PolarHBondContact O-N 3.35Š|
| 132 | A | 40.4 | Very low | 45.7 | Very low | 76 Ų | 76 | 117 Ų | 117 | 63% | 0.628 | 75% | 0.751 | S | S | * | * | | | trans | -103.5 | 141.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | V130 | V130-A132 PolarHBondContact O-N 3.5Å; V130-A132 VanDerWaalsContact O-N 3.12Å |
| 133 | P | 41.7 | Very low | 46.2 | Very low | 118 Ų | 118 | 111.2 Ų | 111.2 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | | | trans | -64.1 | 159.9 | -178.8 | -18.8 | 31 | 0 | 0 | 0 | 114.4 | G135 | P133-G135 PolarHBondContact O-N 2.75Å; P133-G135 VanDerWaalsContact O-N 3.08Å |
| 134 | P | 46.7 | Very low | 45.9 | Very low | 142 Ų | 142 | 112.1 Ų | 112.1 | 92% | 0.922 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -75.5 | 102.2 | -174.4 | 30 | -30.9 | 0 | 0 | 0 | 110.9 | | |
| 135 | G | 48.8 | Very low | 45.8 | Very low | 68 Ų | 68 | 112.9 Ų | 112.9 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 169 | 96.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P133 | P133-G135 PolarHBondContact O-N 2.75Å; P133-G135 VanDerWaalsContact O-N 3.08Å |
| 136 | A | 49.1 | Very low | 45.9 | Very low | 111 Ų | 111 | 117 Ų | 117 | 92% | 0.917 | 74% | 0.737 | S | S | * | * | | | trans | 49.9 | 88.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 137 | A | 39.1 | Very low | 45.5 | Very low | 81 Ų | 81 | 114.4 Ų | 114.4 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | | | trans | -141.7 | 102.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110 | T139 | A137-T139 PolarHBondContact O-N 3.25Š|
| 138 | T | 46.2 | Very low | 45.2 | Very low | 140 Ų | 140 | 113.1 Ų | 113.1 | 86% | 0.859 | 71% | 0.712 | S | S | * | * | | | trans | -66.8 | 97.1 | 161.3 | 25.5 | 0 | 0 | 0 | 0 | 107.7 | V140 | T138-V140 PolarHBondContact O-N 2.96Š|
| 139 | T | 46.1 | Very low | 45.2 | Very low | 118 Ų | 118 | 113.6 Ų | 113.6 | 72% | 0.724 | 70% | 0.699 | S | S | * | * | | | trans | -72.9 | 92.6 | 177 | 58.7 | 0 | 0 | 0 | 0 | 109.3 | A137 T141 | A137-T139 PolarHBondContact O-N 3.25Å; T139-T141 PolarHBondContact O-N 3.03Å |
| 140 | V | 49 | Very low | 45 | Very low | 123 Ų | 123 | 114.7 Ų | 114.7 | 75% | 0.745 | 71% | 0.706 | S | S | * | * | | | trans | -71.3 | 95.8 | 169.3 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | T138 V142 | T138-V140 PolarHBondContact O-N 2.96Å; V140-V142 HydrophobicContact CG1-CG2 4.45Å; V140-V142 PolarHBondContact O-N 3.05Å; V140-V142 VanDerWaalsContact O-N 3.16Å |
| 141 | T | 47.3 | Very low | 44.7 | Very low | 104 Ų | 104 | 112.8 Ų | 112.8 | 64% | 0.638 | 70% | 0.698 | S | S | * | * | | | trans | -75.9 | 101.4 | 173.1 | -52.6 | 0 | 0 | 0 | 0 | 107.2 | T139 L143 | T139-T141 PolarHBondContact O-N 3.03Å; T141-L143 HydrophobicContact CG2-CD1 4.5Å; T141-L143 HydrophobicContact CG2-CG 4.35Å; T141-L143 PolarHBondContact O-N 3.24Å |
| 142 | V | 47.8 | Very low | 44.3 | Very low | 128 Ų | 128 | 109.3 Ų | 109.3 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | | | trans | -69.4 | 96.4 | 172.3 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | V140 Q144 | V140-V142 HydrophobicContact CG1-CG2 4.45Å; V140-V142 PolarHBondContact O-N 3.05Å; V140-V142 VanDerWaalsContact O-N 3.16Å; V142-Q144 PolarHBondContact O-N 3.09Å |
| 143 | L | 50.6 | Low | 44.7 | Very low | 49 Ų | 49 | 107.6 Ų | 107.6 | 26% | 0.257 | 67% | 0.667 | S | S | . | * | | | trans | -74.4 | 106.3 | 176.1 | -82.9 | 128.9 | 0 | 0 | 0 | 109.5 | T141 G145 F148 V153 T155 | T141-L143 HydrophobicContact CG2-CD1 4.5Å; T141-L143 HydrophobicContact CG2-CG 4.35Å; T141-L143 PolarHBondContact O-N 3.24Å; L143-G145 PolarHBondContact O-N 3Å; L143-F148 HydrophobicContact CB-CE2 3.77Å; L143-F148 HydrophobicContact CB-CZ 3.6Å; L143-F148 HydrophobicContact CD1-CZ 4.17Å; L143-F148 HydrophobicContact CD2-CE1 4.22Å; L143-F148 HydrophobicContact CD2-CE2 4.25Å; L143-F148 HydrophobicContact CD2-CZ 3.67Å; L143-F148 HydrophobicContact CG-CZ 3.99Å; L143-V153 HydrophobicContact CD1-CG1 3.64Å; L143-V153 HydrophobicContact CD2-CB 4.21Å; L143-V153 HydrophobicContact CD2-CG1 3.61Å; L143-V153 HydrophobicContact CD2-CG2 3.86Å; L143-V153 HydrophobicContact CG-CG1 4.23Å; L143-T155 HydrophobicContact CD1-CG2 3.86Å |
| 144 | Q | 40.6 | Very low | 44.7 | Very low | 157 Ų | 157 | 108.6 Ų | 108.6 | 73% | 0.734 | 66% | 0.661 | S | S | * | * | | | trans | -63.9 | 118.8 | 173 | -160.8 | 159 | 20.2 | 0 | 0 | 109 | V142 E146 | V142-Q144 PolarHBondContact O-N 3.09Å; Q144-E146 PolarHBondContact O-N 3.2Å |
| 145 | G | 45.7 | Very low | 44.9 | Very low | 65 Ų | 65 | 104 Ų | 104 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 31.8 | -160.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | L143 | L143-G145 PolarHBondContact O-N 3Š|
| 146 | E | 42 | Very low | 44.9 | Very low | 184 Ų | 184 | 105.3 Ų | 105.3 | 86% | 0.86 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | -5.3 | -177.9 | -98.8 | 177.2 | 104.3 | 0 | 0 | 115.2 | Q144 | Q144-E146 PolarHBondContact O-N 3.2Š|
| 147 | M | 39.4 | Very low | 44.9 | Very low | 135 Ų | 135 | 100.6 Ų | 100.6 | 67% | 0.665 | 59% | 0.585 | S | S | * | * | | | trans | -120.1 | 16.8 | -178.3 | 62.9 | 176.3 | 168.6 | 0 | 0 | 115.2 | Q149 | M147-Q149 PolarHBondContact O-N 2.97Š|
| 148 | F | 45.4 | Very low | 45.3 | Very low | 84 Ų | 84 | 101.3 Ų | 101.3 | 37% | 0.368 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.5 | 44.9 | 172.7 | -75.9 | -76.3 | 0 | 0 | 0 | 112.8 | L143 V153 | L143-F148 HydrophobicContact CB-CE2 3.77Å; L143-F148 HydrophobicContact CB-CZ 3.6Å; L143-F148 HydrophobicContact CD1-CZ 4.17Å; L143-F148 HydrophobicContact CD2-CE1 4.22Å; L143-F148 HydrophobicContact CD2-CE2 4.25Å; L143-F148 HydrophobicContact CD2-CZ 3.67Å; L143-F148 HydrophobicContact CG-CZ 3.99Å; F148-V153 HydrophobicContact CD1-CG2 4.41Å; F148-V153 HydrophobicContact CE1-CB 4.08Å; F148-V153 HydrophobicContact CE1-CG2 3.94Å |
| 149 | Q | 46 | Very low | 45 | Very low | 97 Ų | 97 | 100.9 Ų | 100.9 | 45% | 0.453 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -124.4 | -3.4 | -179.9 | -83.9 | -60.8 | -31.2 | 0 | 0 | 114.2 | M147 D201 | M147-Q149 PolarHBondContact O-N 2.97Å; Q149-D201 VanDerWaalsContact NE2-CG 3.3Å; Q149-D201 PolarHBondContact NE2-O 3.38Å; Q149-D201 VanDerWaalsContact NE2-O 3.16Å; Q149-D201 PolarHBondContact NE2-OD1 3.38Å; Q149-D201 PolarHBondContact OE1-OD1 3.37Å |
| 150 | T | 41 | Very low | 44.9 | Very low | 139 Ų | 139 | 96.5 Ų | 96.5 | 85% | 0.853 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -151.9 | 5.4 | 177.6 | -34.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 151 | S | 39.6 | Very low | 45 | Very low | 83 Ų | 83 | 98.2 Ų | 98.2 | 58% | 0.58 | 55% | 0.545 | S | S | * | . | | | trans | -145.1 | 132 | 174.6 | -172.4 | 0 | 0 | 0 | 0 | 113.3 | V153 | S151-V153 PolarHBondContact O-N 3.39Å; S151-V153 VanDerWaalsContact O-N 3.09Å |
| 152 | P | 38.1 | Very low | 44.6 | Very low | 94 Ų | 94 | 98.1 Ų | 98.1 | 61% | 0.61 | 54% | 0.537 | S | S | * | . | | | trans | -62.1 | 113.6 | 171.9 | 23.7 | -29.8 | 0 | 0 | 0 | 109.1 | I165 | P152-I165 HydrophobicContact CB-CG2 3.72Š|
| 153 | V | 48.1 | Very low | 44.4 | Very low | 40 Ų | 40 | 94.9 Ų | 94.9 | 24% | 0.242 | 52% | 0.524 | C | S | . | . | | | trans | -90.5 | 130.3 | 175.2 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | L143 F148 S151 T155 | L143-V153 HydrophobicContact CD1-CG1 3.64Å; L143-V153 HydrophobicContact CD2-CB 4.21Å; L143-V153 HydrophobicContact CD2-CG1 3.61Å; L143-V153 HydrophobicContact CD2-CG2 3.86Å; L143-V153 HydrophobicContact CG-CG1 4.23Å; F148-V153 HydrophobicContact CD1-CG2 4.41Å; F148-V153 HydrophobicContact CE1-CB 4.08Å; F148-V153 HydrophobicContact CE1-CG2 3.94Å; S151-V153 PolarHBondContact O-N 3.39Å; S151-V153 VanDerWaalsContact O-N 3.09Å; V153-T155 HydrophobicContact CG1-CG2 4.09Å; V153-T155 PolarHBondContact O-N 2.96Å |
| 154 | Q | 42.8 | Very low | 44.2 | Very low | 138 Ų | 138 | 93.6 Ų | 93.6 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 111.8 | 166.8 | -92.2 | -171.3 | 72.7 | 0 | 0 | 108.9 | I165 | Q154-I165 HydrophobicContact CG-CG1 3.92Å |
| 155 | T | 50.6 | Low | 44.5 | Very low | 47 Ų | 47 | 90.7 Ų | 90.7 | 29% | 0.288 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 143.2 | 170.2 | 60.9 | 0 | 0 | 0 | 0 | 109 | L143 V153 I164 | L143-T155 HydrophobicContact CD1-CG2 3.86Å; V153-T155 HydrophobicContact CG1-CG2 4.09Å; V153-T155 PolarHBondContact O-N 2.96Å; T155-I164 PolarHBondContact N-O 3.16Å; T155-I164 PolarHBondContact O-N 2.87Å; T155-I164 VanDerWaalsContact O-O 3.09Å |
| 156 | V | 48.9 | Very low | 44.5 | Very low | 95 Ų | 95 | 89.3 Ų | 89.3 | 58% | 0.576 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 121.1 | 176.3 | 179.7 | 0 | 0 | 0 | 0 | 107.6 | A163 | V156-A163 HydrophobicContact CG2-CB 4.32Å |
| 157 | C | 48 | Very low | 44.2 | Very low | 12 Ų | 12 | 91.3 Ų | 91.3 | 8% | 0.081 | 48% | 0.484 | C | S | . | . | | | trans | -70.5 | 126.3 | 178.1 | 178.6 | 0 | 0 | 0 | 0 | 110 | H159 C160 Q161 Q162 I164 I216 | C157-H159 PolarHBondContact O-N 3.22Å; C157-C160 HydrophobicContact CB-CB 4.39Å; C157-C160 PolarHBondContact O-N 3.2Å; C157-C160 PolarHBondContact SG-SG 3.03Å; C157-Q161 VanDerWaalsContact O-CA 3.26Å; C157-Q161 WeakPolarHBondContact O-CA 3.5Å; C157-Q161 PolarHBondContact O-N 3.23Å; C157-Q162 PolarHBondContact N-O 3.15Å; C157-I164 HydrophobicContact CB-CD1 4Å; C157-I216 VanDerWaalsContact SG-CD1 3.54Å |
| 158 | P | 47.7 | Very low | 44.4 | Very low | 96 Ų | 96 | 89.9 Ų | 89.9 | 62% | 0.623 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -19.8 | -177 | 27 | -34.4 | 0 | 0 | 0 | 113.6 | I216 | P158-I216 HydrophobicContact CG-CD1 4.43Å; P158-I216 HydrophobicContact CG-CG2 4.27Å |
| 159 | H | 40.5 | Very low | 44 | Very low | 131 Ų | 131 | 91.3 Ų | 91.3 | 61% | 0.606 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -31 | 176.4 | -103.1 | -91 | 0 | 0 | 0 | 114.1 | C157 I216 | C157-H159 PolarHBondContact O-N 3.22Å; H159-I216 HydrophobicContact CB-CD1 3.62Å; H159-I216 HydrophobicContact CB-CG1 4.47Å; H159-I216 VanDerWaalsContact CD2-CD1 3.48Å; H159-I216 WeakPolarHBondContact CD2-CD1 3.25Å |
| 160 | C | 43.8 | Very low | 43.9 | Very low | 26 Ų | 26 | 92.2 Ų | 92.2 | 18% | 0.176 | 50% | 0.502 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -8.6 | -171.3 | -29.5 | 0 | 0 | 0 | 0 | 112.1 | C157 Q162 C209 C212 | C157-C160 HydrophobicContact CB-CB 4.39Å; C157-C160 PolarHBondContact O-N 3.2Å; C157-C160 PolarHBondContact SG-SG 3.03Å; C160-Q162 PolarHBondContact O-N 2.88Å; C160-C209 VanDerWaalsContact SG-SG 3.62Å; C160-C212 WeakPolarHBondContact CB-SG 3.5Å; C160-C212 WeakPolarHBondContact SG-CB 3.15Å; C160-C212 CovalentContact SG-SG 2.03Å; C160-C212 PolarHBondContact SG-SG 2.9Å |
| 161 | Q | 51.2 | Low | 43.9 | Very low | 159 Ų | 159 | 93.1 Ų | 93.1 | 74% | 0.743 | 50% | 0.502 | S | S | * | . | | | trans | 48.8 | 21.7 | -179.5 | -73.1 | 156.4 | 51.2 | 0 | 0 | 115.1 | C157 | C157-Q161 VanDerWaalsContact O-CA 3.26Å; C157-Q161 WeakPolarHBondContact O-CA 3.5Å; C157-Q161 PolarHBondContact O-N 3.23Å |
| 162 | Q | 39.2 | Very low | 44.3 | Very low | 102 Ų | 102 | 93.8 Ų | 93.8 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | | | trans | -103.3 | 139.4 | 175.8 | -81.8 | 166.2 | -13.6 | 0 | 0 | 109.7 | C157 C160 I164 N211 | C157-Q162 PolarHBondContact N-O 3.15Å; C160-Q162 PolarHBondContact O-N 2.88Å; Q162-I164 HydrophobicContact CB-CG1 4.4Å; Q162-I164 PolarHBondContact O-N 2.98Å; Q162-N211 PolarHBondContact OE1-ND2 2.97Å; Q162-N211 VanDerWaalsContact OE1-ND2 3.12Å |
| 163 | A | 43.8 | Very low | 44.9 | Very low | 60 Ų | 60 | 91 Ų | 91 | 50% | 0.496 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 113.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | V156 | V156-A163 HydrophobicContact CG2-CB 4.32Å |
| 164 | I | 46.3 | Very low | 45.1 | Very low | 21 Ų | 21 | 95 Ų | 95 | 11% | 0.108 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 135 | -178.2 | -62.7 | 169.3 | 0 | 0 | 0 | 107.8 | T155 C157 Q162 C209 P210 N211 | T155-I164 PolarHBondContact N-O 3.16Å; T155-I164 PolarHBondContact O-N 2.87Å; T155-I164 VanDerWaalsContact O-O 3.09Å; C157-I164 HydrophobicContact CB-CD1 4Å; Q162-I164 HydrophobicContact CB-CG1 4.4Å; Q162-I164 PolarHBondContact O-N 2.98Å; I164-C209 WeakPolarHBondContact CD1-SG 3.26Å; I164-P210 HydrophobicContact CG2-CG 3.92Å; I164-N211 HydrophobicContact CD1-CB 4.22Å |
| 165 | I | 47.1 | Very low | 45.6 | Very low | 97 Ų | 97 | 94.4 Ų | 94.4 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 112.6 | 164.8 | -65.7 | 167.9 | 0 | 0 | 0 | 106.3 | P152 Q154 R167 | P152-I165 HydrophobicContact CB-CG2 3.72Å; Q154-I165 HydrophobicContact CG-CG1 3.92Å; I165-R167 PolarHBondContact O-N 2.93Å |
| 166 | T | 44.8 | Very low | 45.9 | Very low | 36 Ų | 36 | 93.8 Ų | 93.8 | 22% | 0.221 | 50% | 0.504 | C | S | . | . | | | trans | -66.6 | 121.9 | 179.5 | 51.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 167 | R | 36 | Very low | 46.5 | Very low | 225 Ų | 225 | 92.7 Ų | 92.7 | 85% | 0.849 | 50% | 0.497 | S | S | * | . | | | trans | -82.5 | 122.3 | 169.1 | -72.9 | -102.6 | -174.4 | 172.5 | 0.6 | 107 | I165 S169 | I165-R167 PolarHBondContact O-N 2.93Å; R167-S169 PolarHBondContact O-N 3.16Å |
| 168 | I | 43.9 | Very low | 47.1 | Very low | 106 Ų | 106 | 96.4 Ų | 96.4 | 54% | 0.544 | 52% | 0.516 | S | S | . | . | | | trans | -77.7 | 108.2 | 174.6 | -51.7 | 173.2 | 0 | 0 | 0 | 106.6 | H170 | I168-H170 VanDerWaalsContact CG2-NE2 3.31Å; I168-H170 WeakPolarHBondContact CG2-NE2 3.11Å |
| 169 | S | 37.1 | Very low | 47.7 | Very low | 114 Ų | 114 | 96.3 Ų | 96.3 | 80% | 0.797 | 51% | 0.506 | S | S | * | . | | | trans | -100.9 | 109.9 | 168.7 | -72.7 | 0 | 0 | 0 | 0 | 107.7 | R167 D171 | R167-S169 PolarHBondContact O-N 3.16Å; S169-D171 PolarHBondContact O-N 2.88Å |
| 170 | H | 42.4 | Very low | 48.5 | Very low | 116 Ų | 116 | 94 Ų | 94 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | | | trans | -79.6 | 106.7 | 172.6 | -70.1 | -111.7 | 0 | 0 | 0 | 108.3 | I168 V172 | I168-H170 VanDerWaalsContact CG2-NE2 3.31Å; I168-H170 WeakPolarHBondContact CG2-NE2 3.11Å; H170-V172 PolarHBondContact O-N 3.18Å |
| 171 | D | 41 | Very low | 49.5 | Very low | 157 Ų | 157 | 97.1 Ų | 97.1 | 84% | 0.84 | 52% | 0.518 | S | S | * | . | | | trans | -81.1 | 108.2 | 167 | -153.2 | -93.7 | 0 | 0 | 0 | 107.7 | S169 G173 | S169-D171 PolarHBondContact O-N 2.88Å; D171-G173 VanDerWaalsContact C-N 3.28Å; D171-G173 PolarHBondContact O-N 2.83Å |
| 172 | V | 49.9 | Very low | 50.2 | Low | 97 Ų | 97 | 95.8 Ų | 95.8 | 59% | 0.588 | 51% | 0.51 | S | S | * | . | | | trans | -76 | 84.9 | -176.9 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | H170 N176 | H170-V172 PolarHBondContact O-N 3.18Å; V172-N176 HydrophobicContact CG1-CB 3.87Å |
| 173 | G | 49.5 | Very low | 51.4 | Low | 36 Ų | 36 | 92.2 Ų | 92.2 | 37% | 0.371 | 50% | 0.496 | S | S | . | . | | | trans | -63.8 | 152.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D171 M175 N176 | D171-G173 VanDerWaalsContact C-N 3.28Å; D171-G173 PolarHBondContact O-N 2.83Å; G173-M175 PolarHBondContact O-N 2.9Å; G173-N176 WeakPolarHBondContact O-CB 3.31Å; G173-N176 PolarHBondContact O-N 2.88Å |
| 174 | L | 52.8 | Low | 52.2 | Low | 124 Ų | 124 | 97.2 Ų | 97.2 | 65% | 0.649 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -44 | -31 | 177.9 | -123.4 | 158.1 | 0 | 0 | 0 | 114.1 | N176 T177 L178 | L174-N176 VanDerWaalsContact C-N 3.31Å; L174-N176 PolarHBondContact O-N 2.94Å; L174-T177 WeakPolarHBondContact O-CB 3.45Å; L174-T177 PolarHBondContact O-N 3.34Å; L174-L178 HydrophobicContact CD2-CG 4.44Å; L174-L178 WeakPolarHBondContact O-CG 3.44Å; L174-L178 PolarHBondContact O-N 3.37Å |
| 175 | M | 53.3 | Low | 53.1 | Low | 125 Ų | 125 | 105 Ų | 105 | 62% | 0.616 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.4 | -31.4 | 177.7 | -60.4 | -59.8 | 108.6 | 0 | 0 | 113.2 | G173 L178 F179 | G173-M175 PolarHBondContact O-N 2.9Å; M175-L178 HydrophobicContact CE-CD1 3.7Å; M175-L178 HydrophobicContact SD-CD1 4.3Å; M175-F179 WeakPolarHBondContact O-CB 3.48Å; M175-F179 PolarHBondContact O-N 2.86Å |
| 176 | N | 56.7 | Low | 54 | Low | 35 Ų | 35 | 105.2 Ų | 105.2 | 19% | 0.187 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 174 | -162.3 | 31.6 | 0 | 0 | 0 | 111.6 | V172 G173 L174 L178 F179 C180 D200 K203 | V172-N176 HydrophobicContact CG1-CB 3.87Å; G173-N176 WeakPolarHBondContact O-CB 3.31Å; G173-N176 PolarHBondContact O-N 2.88Å; L174-N176 VanDerWaalsContact C-N 3.31Å; L174-N176 PolarHBondContact O-N 2.94Å; N176-L178 VanDerWaalsContact C-N 3.33Å; N176-L178 PolarHBondContact O-N 3.28Å; N176-F179 PolarHBondContact O-N 3.29Å; N176-C180 VanDerWaalsContact O-CB 3.31Å; N176-C180 WeakPolarHBondContact O-CB 3.48Å; N176-C180 PolarHBondContact O-N 2.06Å; N176-D200 PolarHBondContact OD1-OD1 2.99Å; N176-D200 VanDerWaalsContact OD1-OD1 3.11Å; N176-D200 PolarHBondContact OD1-OD2 3.29Å; N176-K203 VanDerWaalsContact CB-NZ 3.32Å; N176-K203 PolarHBondContact OD1-NZ 2.67Å |
| 177 | T | 61.7 | Low | 54.7 | Low | 71 Ų | 71 | 105.4 Ų | 105.4 | 44% | 0.436 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.5 | -43.2 | 176.5 | -49.4 | 0 | 0 | 0 | 0 | 111 | L174 C180 L181 | L174-T177 WeakPolarHBondContact O-CB 3.45Å; L174-T177 PolarHBondContact O-N 3.34Å; T177-C180 PolarHBondContact O-N 3.44Å; T177-L181 HydrophobicContact CG2-CD1 4.22Å; T177-L181 WeakPolarHBondContact O-CB 3.46Å; T177-L181 VanDerWaalsContact O-CG 3.25Å; T177-L181 WeakPolarHBondContact O-CG 3.43Å; T177-L181 PolarHBondContact O-N 3.32Å |
| 178 | L | 59.3 | Low | 55.7 | Low | 91 Ų | 91 | 97.2 Ų | 97.2 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 176.5 | -67.9 | 179.6 | 0 | 0 | 0 | 112.3 | L174 M175 N176 L181 F182 | L174-L178 HydrophobicContact CD2-CG 4.44Å; L174-L178 WeakPolarHBondContact O-CG 3.44Å; L174-L178 PolarHBondContact O-N 3.37Å; M175-L178 HydrophobicContact CE-CD1 3.7Å; M175-L178 HydrophobicContact SD-CD1 4.3Å; N176-L178 VanDerWaalsContact C-N 3.33Å; N176-L178 PolarHBondContact O-N 3.28Å; L178-L181 PolarHBondContact O-N 3.22Å; L178-F182 VanDerWaalsContact O-CB 3.25Å; L178-F182 WeakPolarHBondContact O-CB 3.27Å; L178-F182 PolarHBondContact O-N 3.2Å |
| 179 | F | 60.8 | Low | 56.3 | Low | 94 Ų | 94 | 99.5 Ų | 99.5 | 41% | 0.412 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 177.9 | -161.4 | -112.7 | 0 | 0 | 0 | 111.8 | M175 N176 F182 C183 P196 | M175-F179 WeakPolarHBondContact O-CB 3.48Å; M175-F179 PolarHBondContact O-N 2.86Å; N176-F179 PolarHBondContact O-N 3.29Å; F179-F182 PolarHBondContact O-N 3.21Å; F179-C183 PolarHBondContact O-N 3.28Å; F179-C183 PolarHBondContact O-SG 3.06Å; F179-C183 VanDerWaalsContact O-SG 3.36Å; F179-P196 HydrophobicContact CD1-CB 3.83Å; F179-P196 HydrophobicContact CD1-CG 4.44Å; F179-P196 HydrophobicContact CE1-CB 3.51Å; F179-P196 HydrophobicContact CE1-CG 3.82Å |
| 180 | C | 57.3 | Low | 57 | Low | 81 Ų | 81 | 102.5 Ų | 102.5 | 55% | 0.547 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.9 | -45.2 | 173.8 | -173.4 | 0 | 0 | 0 | 0 | 111.9 | N176 T177 C183 F184 | N176-C180 VanDerWaalsContact O-CB 3.31Å; N176-C180 WeakPolarHBondContact O-CB 3.48Å; N176-C180 PolarHBondContact O-N 2.06Å; T177-C180 PolarHBondContact O-N 3.44Å; C180-C183 PolarHBondContact O-N 3.19Å; C180-F184 WeakPolarHBondContact O-CB 3.26Å; C180-F184 PolarHBondContact O-N 3.38Å |
| 181 | L | 65.2 | Low | 57.6 | Low | 93 Ų | 93 | 99 Ų | 99 | 49% | 0.487 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 177.1 | -73.1 | 175.5 | 0 | 0 | 0 | 111.9 | T177 L178 F184 F185 | T177-L181 HydrophobicContact CG2-CD1 4.22Å; T177-L181 WeakPolarHBondContact O-CB 3.46Å; T177-L181 VanDerWaalsContact O-CG 3.25Å; T177-L181 WeakPolarHBondContact O-CG 3.43Å; T177-L181 PolarHBondContact O-N 3.32Å; L178-L181 PolarHBondContact O-N 3.22Å; L181-F184 WeakPolarHBondContact O-CB 3.45Å; L181-F184 PolarHBondContact O-N 3.03Å; L181-F185 WeakPolarHBondContact O-CD2 3.44Å; L181-F185 PolarHBondContact O-N 3.17Å |
| 182 | F | 65.8 | Low | 58.1 | Low | 131 Ų | 131 | 94.4 Ų | 94.4 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.4 | -44.8 | 177.1 | -176.3 | -102.7 | 0 | 0 | 0 | 111.8 | L178 F179 F184 F185 V186 | L178-F182 VanDerWaalsContact O-CB 3.25Å; L178-F182 WeakPolarHBondContact O-CB 3.27Å; L178-F182 PolarHBondContact O-N 3.2Å; F179-F182 PolarHBondContact O-N 3.21Å; F182-F184 VanDerWaalsContact C-N 3.28Å; F182-F184 PolarHBondContact O-N 3.48Å; F182-F185 PolarHBondContact O-N 3.11Å; F182-V186 HydrophobicContact CD1-CG2 4.39Å; F182-V186 HydrophobicContact CD2-CG2 4.44Å; F182-V186 HydrophobicContact CE1-CG2 4.07Å; F182-V186 HydrophobicContact CE2-CG2 4.12Å; F182-V186 HydrophobicContact CZ-CG2 3.92Å; F182-V186 VanDerWaalsContact O-CG2 3.3Å; F182-V186 WeakPolarHBondContact O-CG2 3.31Å; F182-V186 PolarHBondContact O-N 3.06Å; F182-V186 VanDerWaalsContact O-N 3.12Å |
| 183 | C | 64.1 | Low | 58 | Low | 27 Ų | 27 | 92.5 Ų | 92.5 | 18% | 0.182 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 173.7 | -71.5 | 0 | 0 | 0 | 0 | 112.3 | F179 C180 F185 V186 | F179-C183 PolarHBondContact O-N 3.28Å; F179-C183 PolarHBondContact O-SG 3.06Å; F179-C183 VanDerWaalsContact O-SG 3.36Å; C180-C183 PolarHBondContact O-N 3.19Å; C183-F185 VanDerWaalsContact C-N 3.33Å; C183-F185 PolarHBondContact O-N 2.69Å; C183-V186 PolarHBondContact O-N 3.4Å |
| 184 | F | 60.6 | Low | 57.9 | Low | 164 Ų | 164 | 97.4 Ų | 97.4 | 72% | 0.719 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.5 | -35.6 | 176.2 | -159 | -96.5 | 0 | 0 | 0 | 112.5 | C180 L181 F182 | C180-F184 WeakPolarHBondContact O-CB 3.26Å; C180-F184 PolarHBondContact O-N 3.38Å; L181-F184 WeakPolarHBondContact O-CB 3.45Å; L181-F184 PolarHBondContact O-N 3.03Å; F182-F184 VanDerWaalsContact C-N 3.28Å; F182-F184 PolarHBondContact O-N 3.48Å |
| 185 | F | 66.1 | Low | 57.9 | Low | 185 Ų | 185 | 96.8 Ų | 96.8 | 81% | 0.811 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -77.3 | -26.6 | 178.4 | -98.8 | -86.8 | 0 | 0 | 0 | 114.3 | L181 F182 C183 | L181-F185 WeakPolarHBondContact O-CD2 3.44Å; L181-F185 PolarHBondContact O-N 3.17Å; F182-F185 PolarHBondContact O-N 3.11Å; C183-F185 VanDerWaalsContact C-N 3.33Å; C183-F185 PolarHBondContact O-N 2.69Å |
| 186 | V | 66.1 | Low | 57.7 | Low | 102 Ų | 102 | 91.7 Ų | 91.7 | 62% | 0.618 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -89.9 | -5.8 | -173.5 | 177.3 | 0 | 0 | 0 | 0 | 113.3 | F182 C183 | F182-V186 HydrophobicContact CD1-CG2 4.39Å; F182-V186 HydrophobicContact CD2-CG2 4.44Å; F182-V186 HydrophobicContact CE1-CG2 4.07Å; F182-V186 HydrophobicContact CE2-CG2 4.12Å; F182-V186 HydrophobicContact CZ-CG2 3.92Å; F182-V186 VanDerWaalsContact O-CG2 3.3Å; F182-V186 WeakPolarHBondContact O-CG2 3.31Å; F182-V186 PolarHBondContact O-N 3.06Å; F182-V186 VanDerWaalsContact O-N 3.12Å; C183-V186 PolarHBondContact O-N 3.4Å |
| 187 | G | 59.5 | Low | 57.2 | Low | 39 Ų | 39 | 94.2 Ų | 94.2 | 40% | 0.402 | 53% | 0.525 | S | S | . | . | | | trans | 102.1 | 108.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114 | C192 | G187-C192 PolarHBondContact O-SG 2.9Å; G187-C192 VanDerWaalsContact O-SG 3.38Å |
| 188 | C | 56.1 | Low | 56.3 | Low | 54 Ų | 54 | 97 Ų | 97 | 37% | 0.365 | 54% | 0.536 | S | S | . | . | | | trans | -102.2 | 77.1 | 178.6 | -89.1 | 0 | 0 | 0 | 0 | 112.1 | C192 C193 | C188-C192 PolarHBondContact SG-SG 3.45Å; C188-C193 HydrophobicContact CB-CB 4.46Å; C188-C193 WeakPolarHBondContact CB-SG 3.25Å; C188-C193 WeakPolarHBondContact SG-CB 3.44Å; C188-C193 CovalentContact SG-SG 2.06Å; C188-C193 PolarHBondContact SG-SG 3.43Å |
| 189 | D | 57.8 | Low | 55.6 | Low | 154 Ų | 154 | 97 Ų | 97 | 82% | 0.824 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -104.3 | -15.9 | 174.3 | -83.7 | -72.1 | 0 | 0 | 0 | 114.8 | | |
| 190 | L | 50.9 | Low | 54.7 | Low | 177 Ų | 177 | 94 Ų | 94 | 93% | 0.927 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -143.8 | 36.7 | -174.5 | -84.9 | 161.1 | 0 | 0 | 0 | 114.7 | | |
| 191 | G | 55.1 | Low | 54 | Low | 42 Ų | 42 | 93 Ų | 93 | 43% | 0.433 | 51% | 0.513 | S | S | . | . | S | Bend | trans | 91.6 | 13.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 117 | C193 L194 | G191-C193 PolarHBondContact O-N 3.35Å; G191-L194 PolarHBondContact O-N 2.86Å |
| 192 | C | 51.6 | Low | 52.9 | Low | 61 Ų | 61 | 94.7 Ų | 94.7 | 41% | 0.412 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -12.4 | 174.2 | 50.1 | 0 | 0 | 0 | 0 | 114.4 | G187 C188 L194 P196 | G187-C192 PolarHBondContact O-SG 2.9Å; G187-C192 VanDerWaalsContact O-SG 3.38Å; C188-C192 PolarHBondContact SG-SG 3.45Å; C192-L194 VanDerWaalsContact C-N 3.34Å; C192-P196 WeakPolarHBondContact O-CD 3.42Å; C192-P196 WeakPolarHBondContact O-CG 3.39Å |
| 193 | C | 47.5 | Very low | 51.7 | Low | 57 Ų | 57 | 92.5 Ų | 92.5 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -11.6 | 173.3 | -79.9 | 0 | 0 | 0 | 0 | 113.5 | C188 G191 | C188-C193 HydrophobicContact CB-CB 4.46Å; C188-C193 WeakPolarHBondContact CB-SG 3.25Å; C188-C193 WeakPolarHBondContact SG-CB 3.44Å; C188-C193 CovalentContact SG-SG 2.06Å; C188-C193 PolarHBondContact SG-SG 3.43Å; G191-C193 PolarHBondContact O-N 3.35Å |
| 194 | L | 47.3 | Very low | 50.5 | Low | 138 Ų | 138 | 97.6 Ų | 97.6 | 72% | 0.723 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -18.3 | -178.9 | -76.8 | 166.1 | 0 | 0 | 0 | 114.4 | G191 C192 | G191-L194 PolarHBondContact O-N 2.86Å; C192-L194 VanDerWaalsContact C-N 3.34Å |
| 195 | I | 53 | Low | 49.5 | Very low | 111 Ų | 111 | 93.2 Ų | 93.2 | 57% | 0.569 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -39.1 | -179.2 | -58.4 | 170.8 | 0 | 0 | 0 | 112.5 | C197 L198 I199 | I195-C197 VanDerWaalsContact C-N 3.32Å; I195-C197 PolarHBondContact O-N 3.46Å; I195-L198 PolarHBondContact O-N 3Å; I195-I199 HydrophobicContact CG2-CD1 4.03Å; I195-I199 PolarHBondContact O-N 3.42Å |
| 196 | P | 48.4 | Very low | 48.3 | Very low | 19 Ų | 19 | 89 Ų | 89 | 12% | 0.123 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -57.8 | -38.9 | 174.3 | -32.1 | 40 | 0 | 0 | 0 | 114.4 | F179 C192 L198 I199 D200 | F179-P196 HydrophobicContact CD1-CB 3.83Å; F179-P196 HydrophobicContact CD1-CG 4.44Å; F179-P196 HydrophobicContact CE1-CB 3.51Å; F179-P196 HydrophobicContact CE1-CG 3.82Å; C192-P196 WeakPolarHBondContact O-CD 3.42Å; C192-P196 WeakPolarHBondContact O-CG 3.39Å; P196-L198 VanDerWaalsContact C-N 3.28Å; P196-L198 PolarHBondContact O-N 3.26Å; P196-I199 PolarHBondContact O-N 3.26Å; P196-D200 PolarHBondContact O-N 3.02Å |
| 197 | C | 47.2 | Very low | 47.3 | Very low | 87 Ų | 87 | 89.5 Ų | 89.5 | 59% | 0.588 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -72.5 | -21.5 | -180 | -64.4 | 0 | 0 | 0 | 0 | 113 | I195 | I195-C197 VanDerWaalsContact C-N 3.32Å; I195-C197 PolarHBondContact O-N 3.46Å |
| 198 | L | 43.3 | Very low | 46.4 | Very low | 129 Ų | 129 | 92.5 Ų | 92.5 | 68% | 0.675 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -88.2 | -10.2 | 174.4 | -150.6 | 77.1 | 0 | 0 | 0 | 112.3 | I195 P196 | I195-L198 PolarHBondContact O-N 3Å; P196-L198 VanDerWaalsContact C-N 3.28Å; P196-L198 PolarHBondContact O-N 3.26Å |
| 199 | I | 43.7 | Very low | 45.7 | Very low | 91 Ų | 91 | 90.7 Ų | 90.7 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -96.3 | -12.5 | 175.5 | -75.2 | 169.9 | 0 | 0 | 0 | 111.5 | I195 P196 D201 L202 | I195-I199 HydrophobicContact CG2-CD1 4.03Å; I195-I199 PolarHBondContact O-N 3.42Å; P196-I199 PolarHBondContact O-N 3.26Å; I199-D201 PolarHBondContact O-N 3.47Å; I199-L202 PolarHBondContact O-N 3.49Å |
| 200 | D | 42.8 | Very low | 45.1 | Very low | 32 Ų | 32 | 87.8 Ų | 87.8 | 17% | 0.171 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -62.2 | -15.9 | 164 | -82.5 | -51.8 | 0 | 0 | 0 | 112.8 | N176 P196 L202 K203 | N176-D200 PolarHBondContact OD1-OD1 2.99Å; N176-D200 VanDerWaalsContact OD1-OD1 3.11Å; N176-D200 PolarHBondContact OD1-OD2 3.29Å; P196-D200 PolarHBondContact O-N 3.02Å; D200-L202 PolarHBondContact O-N 3.18Å; D200-K203 PolarHBondContact O-N 3.24Å; D200-K203 WeakPolarHBondContact OD1-CD 3.41Å; D200-K203 IonicContact OD1-NZ 2.69Å; D200-K203 PolarHBondContact OD1-NZ 2.91Å |
| 201 | D | 41.6 | Very low | 44.4 | Very low | 60 Ų | 60 | 84.2 Ų | 84.2 | 32% | 0.321 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -77.1 | -2.8 | 172.3 | -89 | -50.2 | 0 | 0 | 0 | 114.5 | Q149 I199 | Q149-D201 VanDerWaalsContact NE2-CG 3.3Å; Q149-D201 PolarHBondContact NE2-O 3.38Å; Q149-D201 VanDerWaalsContact NE2-O 3.16Å; Q149-D201 PolarHBondContact NE2-OD1 3.38Å; Q149-D201 PolarHBondContact OE1-OD1 3.37Å; I199-D201 PolarHBondContact O-N 3.47Å |
| 202 | L | 41.9 | Very low | 43.5 | Very low | 128 Ų | 128 | 84.9 Ų | 84.9 | 67% | 0.67 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -115.4 | 5.7 | 171.4 | -76.9 | 154.7 | 0 | 0 | 0 | 112.6 | I199 D200 | I199-L202 PolarHBondContact O-N 3.49Å; D200-L202 PolarHBondContact O-N 3.18Å |
| 203 | K | 40.3 | Very low | 43.3 | Very low | 86 Ų | 86 | 91.1 Ų | 91.1 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -76 | 137 | 168.6 | -85.5 | -175.6 | -174.5 | 137.7 | 0 | 109.8 | N176 D200 V205 | N176-K203 VanDerWaalsContact CB-NZ 3.32Å; N176-K203 PolarHBondContact OD1-NZ 2.67Å; D200-K203 PolarHBondContact O-N 3.24Å; D200-K203 WeakPolarHBondContact OD1-CD 3.41Å; D200-K203 IonicContact OD1-NZ 2.69Å; D200-K203 PolarHBondContact OD1-NZ 2.91Å; K203-V205 PolarHBondContact O-N 3.38Å |
| 204 | D | 39.8 | Very low | 43 | Very low | 134 Ų | 134 | 89.8 Ų | 89.8 | 72% | 0.717 | 49% | 0.492 | S | S | * | . | | | trans | -40.6 | 98.3 | -173.1 | -74.9 | -57.6 | 0 | 0 | 0 | 113.8 | T206 | D204-T206 VanDerWaalsContact C-N 3.33Å; D204-T206 PolarHBondContact O-N 3.04Å |
| 205 | V | 40.3 | Very low | 42.8 | Very low | 71 Ų | 71 | 92 Ų | 92 | 43% | 0.43 | 49% | 0.493 | S | S | . | . | | | trans | -71.5 | 94.6 | 169.9 | 177.9 | 0 | 0 | 0 | 0 | 107.2 | K203 H207 | K203-V205 PolarHBondContact O-N 3.38Å; V205-H207 VanDerWaalsContact CG1-CE1 3.44Å; V205-H207 WeakPolarHBondContact CG1-CE1 3Å; V205-H207 PolarHBondContact O-N 3.28Å |
| 206 | T | 40.8 | Very low | 42.7 | Very low | 97 Ų | 97 | 89.8 Ų | 89.8 | 60% | 0.595 | 48% | 0.481 | S | S | * | . | | | trans | -82.2 | 96.6 | 173.3 | -45.7 | 0 | 0 | 0 | 0 | 107.9 | D204 T208 | D204-T206 VanDerWaalsContact C-N 3.33Å; D204-T206 PolarHBondContact O-N 3.04Å; T206-T208 PolarHBondContact O-N 3.45Å; T206-T208 PolarHBondContact O-OG1 2.93Å |
| 207 | H | 44.6 | Very low | 42.5 | Very low | 113 Ų | 113 | 99 Ų | 99 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | | | trans | -63.9 | 101.7 | 176.1 | -67.1 | -68.9 | 0 | 0 | 0 | 110.4 | V205 | V205-H207 VanDerWaalsContact CG1-CE1 3.44Å; V205-H207 WeakPolarHBondContact CG1-CE1 3Å; V205-H207 PolarHBondContact O-N 3.28Å |
| 208 | T | 40.6 | Very low | 42.2 | Very low | 101 Ų | 101 | 98.7 Ų | 98.7 | 62% | 0.62 | 51% | 0.51 | S | S | * | . | | | trans | -98.6 | 123.1 | 175.7 | -51.5 | 0 | 0 | 0 | 0 | 109.4 | T206 | T206-T208 PolarHBondContact O-N 3.45Å; T206-T208 PolarHBondContact O-OG1 2.93Å |
| 209 | C | 40.5 | Very low | 42 | Very low | 16 Ų | 16 | 101.8 Ų | 101.8 | 11% | 0.108 | 51% | 0.514 | C | S | . | . | | | trans | -71.1 | 121.7 | 177.2 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | C160 I164 N211 K213 | C160-C209 VanDerWaalsContact SG-SG 3.62Å; I164-C209 WeakPolarHBondContact CD1-SG 3.26Å; C209-N211 PolarHBondContact O-N 3.33Å; C209-K213 PolarHBondContact O-N 3.36Å |
| 210 | P | 45.3 | Very low | 41.7 | Very low | 94 Ų | 94 | 105.2 Ų | 105.2 | 61% | 0.61 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -17 | -177.7 | 28.4 | -35.4 | 0 | 0 | 0 | 113.5 | I164 | I164-P210 HydrophobicContact CG2-CG 3.92Š|
| 211 | N | 36.6 | Very low | 41.6 | Very low | 101 Ų | 101 | 112.5 Ų | 112.5 | 54% | 0.54 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.5 | -38.6 | -173.1 | -139.8 | -40 | 0 | 0 | 0 | 112.3 | Q162 I164 C209 | Q162-N211 PolarHBondContact OE1-ND2 2.97Å; Q162-N211 VanDerWaalsContact OE1-ND2 3.12Å; I164-N211 HydrophobicContact CD1-CB 4.22Å; C209-N211 PolarHBondContact O-N 3.33Å |
| 212 | C | 37 | Very low | 41.8 | Very low | 57 Ų | 57 | 116.4 Ų | 116.4 | 39% | 0.385 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.5 | -15.8 | -168.8 | -64.9 | 0 | 0 | 0 | 0 | 113.6 | C160 G214 | C160-C212 WeakPolarHBondContact CB-SG 3.5Å; C160-C212 WeakPolarHBondContact SG-CB 3.15Å; C160-C212 CovalentContact SG-SG 2.03Å; C160-C212 PolarHBondContact SG-SG 2.9Å; C212-G214 PolarHBondContact O-N 3.32Å |
| 213 | K | 46.8 | Very low | 41.6 | Very low | 191 Ų | 191 | 119.7 Ų | 119.7 | 83% | 0.83 | 60% | 0.602 | S | S | * | * | | | trans | 44.7 | 17.4 | -169.4 | -70 | 176.4 | 178 | 173.9 | 0 | 113.4 | C209 | C209-K213 PolarHBondContact O-N 3.36Š|
| 214 | G | 42.1 | Very low | 41.7 | Very low | 29 Ų | 29 | 121.4 Ų | 121.4 | 30% | 0.299 | 61% | 0.613 | S | S | . | * | | | trans | -89.2 | 125.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | C212 I216 | C212-G214 PolarHBondContact O-N 3.32Å; G214-I216 WeakPolarHBondContact O-CG1 3.47Å; G214-I216 PolarHBondContact O-N 3.13Å |
| 215 | Y | 43.2 | Very low | 41.8 | Very low | 186 Ų | 186 | 120.7 Ų | 120.7 | 73% | 0.729 | 61% | 0.608 | S | S | * | * | | | trans | -69.7 | 107.3 | 179.7 | -161.6 | -93.9 | 0 | 0 | 0 | 109.2 | T218 | Y215-T218 WeakPolarHBondContact CE1-OG1 3.3Å; Y215-T218 VanDerWaalsContact CZ-OG1 3.31Å; Y215-T218 PolarHBondContact OH-OG1 2.99Å |
| 216 | I | 50.3 | Low | 41.8 | Very low | 63 Ų | 63 | 123.5 Ų | 123.5 | 32% | 0.323 | 62% | 0.618 | S | S | . | * | | | trans | -113.5 | 84.9 | 179.1 | -45.5 | 173.6 | 0 | 0 | 0 | 107.1 | C157 P158 H159 G214 | C157-I216 VanDerWaalsContact SG-CD1 3.54Å; P158-I216 HydrophobicContact CG-CD1 4.43Å; P158-I216 HydrophobicContact CG-CG2 4.27Å; H159-I216 HydrophobicContact CB-CD1 3.62Å; H159-I216 HydrophobicContact CB-CG1 4.47Å; H159-I216 VanDerWaalsContact CD2-CD1 3.48Å; H159-I216 WeakPolarHBondContact CD2-CD1 3.25Å; G214-I216 WeakPolarHBondContact O-CG1 3.47Å; G214-I216 PolarHBondContact O-N 3.13Å |
| 217 | Y | 43.5 | Very low | 41.9 | Very low | 213 Ų | 213 | 125.1 Ų | 125.1 | 84% | 0.835 | 62% | 0.619 | S | S | * | * | | | trans | 67 | 121.2 | 165.7 | -104.4 | -98.8 | 0 | 0 | 0 | 119.2 | | |
| 218 | T | 40.6 | Very low | 41.7 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 49% | 0.491 | 63% | 0.625 | S | S | . | * | | | trans | -87.9 | 114.9 | 163.5 | -48.2 | 0 | 0 | 0 | 0 | 108.8 | Y215 K220 | Y215-T218 WeakPolarHBondContact CE1-OG1 3.3Å; Y215-T218 VanDerWaalsContact CZ-OG1 3.31Å; Y215-T218 PolarHBondContact OH-OG1 2.99Å; T218-K220 PolarHBondContact O-N 3.12Å; T218-K220 VanDerWaalsContact O-N 3.13Å |
| 219 | Y | 39.9 | Very low | 41.8 | Very low | 194 Ų | 194 | 127.5 Ų | 127.5 | 76% | 0.761 | 63% | 0.626 | S | S | * | * | | | trans | -78.7 | 93.6 | 167.5 | -163.7 | -92.9 | 0 | 0 | 0 | 108.6 | R221 | Y219-R221 HydrophobicContact CD1-CG 3.95Å; Y219-R221 HydrophobicContact CE1-CG 3.98Å; Y219-R221 PolarHBondContact O-N 3.28Å |
| 220 | K | 38.2 | Very low | 41.9 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 71% | 0.713 | 66% | 0.663 | S | S | * | * | | | trans | -74.3 | 107 | 171.4 | -172 | 179.2 | 174.6 | 179.6 | 0 | 107.8 | T218 I222 | T218-K220 PolarHBondContact O-N 3.12Å; T218-K220 VanDerWaalsContact O-N 3.13Å; K220-I222 VanDerWaalsContact C-N 3.33Å; K220-I222 HydrophobicContact CD-CG2 4.38Å; K220-I222 HydrophobicContact CG-CG2 4.45Å; K220-I222 PolarHBondContact O-N 3.19Å |
| 221 | R | 39.7 | Very low | 41.6 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 70% | 0.698 | 67% | 0.667 | S | S | * | * | | | trans | -68.1 | 98.9 | 162 | -62.2 | -170 | -162 | -170.2 | 6.8 | 106.7 | Y219 C223 | Y219-R221 HydrophobicContact CD1-CG 3.95Å; Y219-R221 HydrophobicContact CE1-CG 3.98Å; Y219-R221 PolarHBondContact O-N 3.28Å; R221-C223 PolarHBondContact O-N 3.4Å |
| 222 | I | 46.4 | Very low | 42.1 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 72% | 0.723 | 68% | 0.677 | S | S | * | * | | | trans | -68.4 | 112.8 | 160.9 | 41.4 | 162.5 | 0 | 0 | 0 | 106.6 | K220 | K220-I222 VanDerWaalsContact C-N 3.33Å; K220-I222 HydrophobicContact CD-CG2 4.38Å; K220-I222 HydrophobicContact CG-CG2 4.45Å; K220-I222 PolarHBondContact O-N 3.19Å |
| 223 | C | 37.3 | Very low | 42.5 | Very low | 198 Ų | 198 | 149.5 Ų | 149.5 | 100% | 1.338 | 70% | 0.704 | S | S | * | * | | | trans | -67.8 | 0 | 156.2 | -66.6 | 0 | 0 | 0 | 0 | 109.3 | R221 | R221-C223 PolarHBondContact O-N 3.4Š|