| 1 | M | 44.4 | Very low | 43.6 | Very low | 248 Ų | 248 | 157.2 Ų | 157.2 | 100% | 1.222 | 83% | 0.828 | S | S | * | * | | | | 0 | 159 | 0 | -84.2 | 162.4 | 148.9 | 0 | 0 | 108.7 | | |
| 2 | K | 43.9 | Very low | 43.5 | Very low | 182 Ų | 182 | 157.3 Ų | 157.3 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | | | trans | -69.4 | 168.5 | 161.5 | -121.6 | 169.9 | 173.1 | -178.5 | 0 | 108.3 | | |
| 3 | M | 44.1 | Very low | 43.3 | Very low | 176 Ų | 176 | 155.9 Ų | 155.9 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | | | cis | -143.7 | -165.4 | 39 | -65 | -77.2 | -86.3 | 0 | 0 | 111.4 | | |
| 4 | E | 44.2 | Very low | 43.3 | Very low | 183 Ų | 183 | 155.2 Ų | 155.2 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | | | trans | -123.8 | -175.3 | -161.3 | -155.9 | 167.8 | 144.5 | 0 | 0 | 112.5 | | |
| 5 | E | 46.6 | Very low | 42.8 | Very low | 161 Ų | 161 | 157.5 Ų | 157.5 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | | | trans | -48.4 | 153.1 | -175.4 | -174.1 | -179.5 | 136.5 | 0 | 0 | 117.9 | V7 | E5-V7 HydrophobicContact CG-CG2 4.09Å; E5-V7 WeakPolarHBondContact OE1-CG2 3.35Å |
| 6 | A | 51.4 | Low | 42.8 | Very low | 103 Ų | 103 | 154.8 Ų | 154.8 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | | | trans | -147.3 | 134.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 7 | V | 41.1 | Very low | 42.4 | Very low | 127 Ų | 127 | 157 Ų | 157 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | | | trans | -122.5 | 147.8 | -175 | 166 | 0 | 0 | 0 | 0 | 111.3 | E5 | E5-V7 HydrophobicContact CG-CG2 4.09Å; E5-V7 WeakPolarHBondContact OE1-CG2 3.35Å |
| 8 | G | 36.3 | Very low | 42 | Very low | 62 Ų | 62 | 152.9 Ų | 152.9 | 64% | 0.639 | 81% | 0.811 | S | S | * | * | | | trans | 129.5 | 165 | 144.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 9 | K | 44.7 | Very low | 41.9 | Very low | 198 Ų | 198 | 151 Ų | 151 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | | | trans | 73.2 | 107.9 | 179.5 | -52.2 | -172.2 | -179 | -172.4 | 0 | 113.8 | | |
| 10 | V | 39.4 | Very low | 41.8 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 67% | 0.673 | 81% | 0.809 | S | S | * | * | | | cis | 72.4 | 113.3 | 22.7 | -169.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 11 | E | 43.2 | Very low | 41.6 | Very low | 178 Ų | 178 | 152.4 Ų | 152.4 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | | | trans | 61.8 | 158.5 | 162.9 | -76.2 | 141.5 | -149.5 | 0 | 0 | 117.8 | | |
| 12 | E | 42.7 | Very low | 40.9 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | | | cis | -140.7 | -171.9 | 9.5 | -144.2 | -162.6 | 132.1 | 0 | 0 | 113.2 | | |
| 13 | L | 40.6 | Very low | 40.7 | Very low | 140 Ų | 140 | 141 Ų | 141 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | | | trans | -60.8 | 166.6 | 174.4 | -61.1 | 157 | 0 | 0 | 0 | 113.1 | | |
| 14 | I | 44.4 | Very low | 40.3 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | | | | -176.2 | 132.7 | 109.3 | -92 | 157.5 | 0 | 0 | 0 | 110.7 | | |
| 15 | E | 35.9 | Very low | 39.8 | Very low | 189 Ų | 189 | 138.9 Ų | 138.9 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | | | trans | -80.7 | 144.9 | 173.8 | -174.5 | 163.7 | -150.5 | 0 | 0 | 109.8 | | |
| 16 | S | 42.8 | Very low | 39.1 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | trans | -126.7 | 94 | -174.4 | -69.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 17 | E | 34.9 | Very low | 38.1 | Very low | 193 Ų | 193 | 140.7 Ų | 140.7 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | | | trans | -81.2 | 164.2 | 169.5 | -171.2 | 160.2 | 121.7 | 0 | 0 | 111.6 | | |
| 18 | A | 34.9 | Very low | 38 | Very low | 83 Ų | 83 | 139.2 Ų | 139.2 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | | | trans | -132.4 | 165.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 19 | P | 39.9 | Very low | 38 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | cis | -137 | -166.5 | 11 | 44.1 | -27 | 0 | 0 | 0 | 113.6 | | |
| 20 | P | 41.6 | Very low | 37.4 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | -109.3 | 158 | 160.4 | 36.7 | -29.5 | 0 | 0 | 0 | 114.2 | | |
| 21 | K | 36 | Very low | 37.3 | Very low | 204 Ų | 204 | 145.6 Ų | 145.6 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | | | trans | -143.8 | 131.3 | 173.7 | -106.8 | -169.1 | 176.3 | -174.1 | 0 | 109.6 | | |
| 22 | A | 31 | Very low | 36.8 | Very low | 100 Ų | 100 | 144.9 Ų | 144.9 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | | | trans | 60.3 | 154.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 23 | S | 38.3 | Very low | 36.2 | Very low | 90 Ų | 90 | 139.9 Ų | 139.9 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | | | cis | -160.1 | -168.1 | -7.1 | -116.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 24 | E | 37.5 | Very low | 35.8 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 77% | 0.771 | 78% | 0.783 | S | S | * | * | | | cis | -147.3 | -158 | 8.4 | -142.3 | 61.9 | -79.5 | 0 | 0 | 105.2 | | |
| 25 | Q | 33 | Very low | 35.5 | Very low | 151 Ų | 151 | 139 Ų | 139 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | cis | -150.9 | 154.6 | 0.3 | -150.6 | -160.7 | -41.4 | 0 | 0 | 112.5 | | |
| 26 | E | 32.5 | Very low | 35.6 | Very low | 153 Ų | 153 | 138 Ų | 138 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | | | trans | -7.9 | 135.6 | 153.4 | -165.7 | 179.1 | -170 | 0 | 0 | 122.3 | | |
| 27 | T | 29.1 | Very low | 35.5 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 91% | 0.908 | 79% | 0.788 | S | S | * | * | | | trans | -164.8 | 155.2 | 131.9 | 9.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 28 | A | 38.8 | Very low | 35.3 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | | | trans | -129.9 | 140.1 | -166 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 29 | K | 37.1 | Very low | 35.9 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | trans | -179.7 | 159.5 | 162.8 | -99.4 | -173.5 | 170.7 | -73.4 | 0 | 107.4 | | |
| 30 | E | 32 | Very low | 35.7 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 67% | 0.673 | 78% | 0.78 | S | S | * | * | | | cis | -177.9 | 124.6 | -22.4 | 164.8 | 178.1 | -103.9 | 0 | 0 | 108.6 | | |
| 31 | E | 36.9 | Very low | 35.6 | Very low | 191 Ų | 191 | 141.7 Ų | 141.7 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | | | trans | 45.6 | -175.1 | 164.2 | -128.5 | -166.5 | 155 | 0 | 0 | 120.8 | | |
| 32 | D | 33.4 | Very low | 35.6 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | | | trans | 59.9 | 147.7 | 176.1 | -129.6 | 23.8 | 0 | 0 | 0 | 117.1 | | |
| 33 | G | 30.2 | Very low | 36.1 | Very low | 53 Ų | 53 | 145.3 Ų | 145.3 | 55% | 0.546 | 78% | 0.778 | S | S | . | * | | | cis | 177.8 | 146.5 | -0.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V35 | G33-V35 PolarHBondContact O-N 2.98Š|
| 34 | S | 32.3 | Very low | 36 | Very low | 125 Ų | 125 | 149.3 Ų | 149.3 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | -62.1 | 132.3 | -179.3 | -62.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 35 | V | 37.3 | Very low | 36.1 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | | | trans | -115.9 | 110.4 | 156.3 | -74.7 | 0 | 0 | 0 | 0 | 109.7 | G33 | G33-V35 PolarHBondContact O-N 2.98Š|
| 36 | E | 37.7 | Very low | 36.5 | Very low | 166 Ų | 166 | 144.5 Ų | 144.5 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | -67.3 | 145.3 | 171.1 | -62.3 | 172.3 | 107.6 | 0 | 0 | 110.5 | | |
| 37 | L | 40 | Very low | 37.4 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | | | trans | -134.4 | 65.2 | 152.5 | -76.1 | -179.3 | 0 | 0 | 0 | 109.2 | S39 | L37-S39 PolarHBondContact O-N 3.37Š|
| 38 | E | 32.5 | Very low | 38.5 | Very low | 142 Ų | 142 | 141 Ų | 141 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | | | trans | -62.1 | 115.3 | 162.8 | -169 | -172.1 | 174.9 | 0 | 0 | 108.6 | Q40 | E38-Q40 HydrophobicContact CG-CB 4.38Å; E38-Q40 PolarHBondContact OE1-NE2 3.16Å |
| 39 | S | 46.2 | Very low | 39.2 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | -121.4 | 87.1 | 169.7 | 38 | 0 | 0 | 0 | 0 | 108.7 | L37 V41 | L37-S39 PolarHBondContact O-N 3.37Å; S39-V41 PolarHBondContact O-N 3.46Å |
| 40 | Q | 36.5 | Very low | 40 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | -78.4 | 109.9 | -169 | -171.4 | -173.9 | 106.9 | 0 | 0 | 112 | E38 | E38-Q40 HydrophobicContact CG-CB 4.38Å; E38-Q40 PolarHBondContact OE1-NE2 3.16Å |
| 41 | V | 38.3 | Very low | 41.2 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | -124.5 | 97.2 | 165 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | S39 | S39-V41 PolarHBondContact O-N 3.46Š|
| 42 | Q | 36.4 | Very low | 42.2 | Very low | 175 Ų | 175 | 135.5 Ų | 135.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | 38.4 | 115.9 | 145.4 | -59.8 | 179.8 | 2.8 | 0 | 0 | 118.5 | | |
| 43 | K | 40.9 | Very low | 43.3 | Very low | 206 Ų | 206 | 133.5 Ų | 133.5 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | | | trans | -66.1 | 137 | 163.5 | -61.5 | 173.5 | 179.8 | 175.2 | 0 | 110.1 | | |
| 44 | D | 36.4 | Very low | 44.4 | Very low | 173 Ų | 173 | 136 Ų | 136 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | | | | -141.4 | 153.1 | 120.8 | -122.8 | -32.8 | 0 | 0 | 0 | 110.1 | | |
| 45 | G | 39.8 | Very low | 46 | Very low | 70 Ų | 70 | 137.7 Ų | 137.7 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | trans | -95.6 | 134 | -154.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 46 | V | 42.4 | Very low | 46.9 | Very low | 145 Ų | 145 | 136 Ų | 136 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | | -153.7 | 141.2 | 128.3 | 137.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 47 | A | 51.8 | Low | 47.5 | Very low | 73 Ų | 73 | 133.5 Ų | 133.5 | 60% | 0.603 | 78% | 0.775 | S | S | * | * | | | trans | -78.7 | 174 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 48 | D | 51.8 | Low | 48.2 | Very low | 156 Ų | 156 | 133 Ų | 133 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | | | trans | 65.3 | 93.4 | 164.6 | -49.2 | -34.1 | 0 | 0 | 0 | 118.2 | | |
| 49 | S | 54.3 | Low | 49.5 | Very low | 79 Ų | 79 | 134.4 Ų | 134.4 | 55% | 0.552 | 78% | 0.784 | S | S | * | * | | | trans | -171.4 | 14.9 | 134.6 | -123.1 | 0 | 0 | 0 | 0 | 117.9 | V51 | S49-V51 PolarHBondContact O-N 2.84Š|
| 50 | T | 53.3 | Low | 50 | Low | 142 Ų | 142 | 137.3 Ų | 137.3 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -11.7 | -176.7 | -40.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 51 | V | 57.5 | Low | 51.2 | Low | 136 Ų | 136 | 136.4 Ų | 136.4 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -11.6 | -172.8 | -173.5 | 0 | 0 | 0 | 0 | 113.6 | S49 S53 | S49-V51 PolarHBondContact O-N 2.84Å; V51-S53 PolarHBondContact O-N 3.26Å; V51-S53 VanDerWaalsContact O-N 3.11Å |
| 52 | I | 57.2 | Low | 52.1 | Low | 129 Ų | 129 | 137.4 Ų | 137.4 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | | | trans | -73.5 | -2.2 | -175.8 | 67.3 | 175.1 | 0 | 0 | 0 | 114.9 | S54 | I52-S54 PolarHBondContact O-N 2.85Š|
| 53 | S | 56.5 | Low | 52.9 | Low | 121 Ų | 121 | 137.7 Ų | 137.7 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 47.5 | -179 | -156.2 | 0 | 0 | 0 | 0 | 113.7 | V51 | V51-S53 PolarHBondContact O-N 3.26Å; V51-S53 VanDerWaalsContact O-N 3.11Å |
| 54 | S | 53.8 | Low | 53.6 | Low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.5 | -16.1 | -180 | -159.7 | 0 | 0 | 0 | 0 | 114.2 | I52 | I52-S54 PolarHBondContact O-N 2.85Š|
| 55 | M | 65 | Low | 54.2 | Low | 160 Ų | 160 | 137.1 Ų | 137.1 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | | | trans | -119.8 | 104.7 | 172.6 | -76.2 | -155.8 | 69.5 | 0 | 0 | 111.9 | | |
| 56 | P | 57.3 | Low | 54.2 | Low | 108 Ų | 108 | 139.1 Ų | 139.1 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | trans | -69.9 | 149.8 | 167.4 | 30 | -33.4 | 0 | 0 | 0 | 111.3 | | |
| 57 | C | 48.9 | Very low | 54.4 | Low | 112 Ų | 112 | 137.9 Ų | 137.9 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | | | trans | 51.1 | 77.8 | 167.8 | 60.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 58 | L | 55.9 | Low | 54.1 | Low | 160 Ų | 160 | 142.5 Ų | 142.5 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | -125.1 | 36.1 | 137.4 | -76.8 | -177.4 | 0 | 0 | 0 | 112.7 | M60 | L58-M60 PolarHBondContact O-N 3.2Š|
| 59 | L | 60.3 | Low | 53.6 | Low | 171 Ų | 171 | 140.7 Ų | 140.7 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | | | trans | -80.8 | 58 | 168.8 | -80.8 | 160.8 | 0 | 0 | 0 | 111.3 | E61 | L59-E61 VanDerWaalsContact C-N 3.29Å; L59-E61 PolarHBondContact O-N 2.84Å |
| 60 | M | 55.3 | Low | 53.1 | Low | 173 Ų | 173 | 144.5 Ų | 144.5 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | | | trans | -80 | 87.7 | 159.5 | -73.4 | -168.7 | 70.6 | 0 | 0 | 107.6 | L58 L62 | L58-M60 PolarHBondContact O-N 3.2Å; M60-L62 PolarHBondContact O-N 3.11Å |
| 61 | E | 63 | Low | 52.5 | Low | 139 Ų | 139 | 145.8 Ų | 145.8 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | | | trans | -57.8 | 100.1 | 174.4 | -172.6 | -172.8 | 127 | 0 | 0 | 109 | L59 R63 | L59-E61 VanDerWaalsContact C-N 3.29Å; L59-E61 PolarHBondContact O-N 2.84Å; E61-R63 HydrophobicContact CG-CG 4.09Å; E61-R63 WeakPolarHBondContact O-CG 3.25Å; E61-R63 PolarHBondContact O-N 2.57Å; E61-R63 WeakPolarHBondContact OE1-CD 3.47Å; E61-R63 WeakPolarHBondContact OE1-CG 3.24Å; E61-R63 IonicContact OE1-CZ 3.88Å; E61-R63 IonicContact OE1-NE 2.88Å; E61-R63 PolarHBondContact OE1-NE 2.82Å; E61-R63 IonicContact OE1-NH2 3.99Å |
| 62 | L | 56.8 | Low | 51.5 | Low | 151 Ų | 151 | 143.9 Ų | 143.9 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -70.4 | 80 | 172.8 | -176.5 | 65.9 | 0 | 0 | 0 | 108.4 | M60 R64 | M60-L62 PolarHBondContact O-N 3.11Å; L62-R64 PolarHBondContact O-N 2.93Å |
| 63 | R | 53.1 | Low | 51 | Low | 182 Ų | 182 | 142.9 Ų | 142.9 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | | | trans | -60.2 | 109.4 | 169.3 | -45.7 | -157 | 85.4 | -122.7 | 2.1 | 105.9 | E61 D65 | E61-R63 HydrophobicContact CG-CG 4.09Å; E61-R63 WeakPolarHBondContact O-CG 3.25Å; E61-R63 PolarHBondContact O-N 2.57Å; E61-R63 WeakPolarHBondContact OE1-CD 3.47Å; E61-R63 WeakPolarHBondContact OE1-CG 3.24Å; E61-R63 IonicContact OE1-CZ 3.88Å; E61-R63 IonicContact OE1-NE 2.88Å; E61-R63 PolarHBondContact OE1-NE 2.82Å; E61-R63 IonicContact OE1-NH2 3.99Å; R63-D65 PolarHBondContact O-N 3.06Å |
| 64 | R | 55.5 | Low | 50.2 | Low | 214 Ų | 214 | 142.8 Ų | 142.8 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | | | trans | -68.6 | 117.9 | -177 | -56.3 | -178.8 | -162.9 | 84.5 | 2.2 | 107.6 | L62 S66 | L62-R64 PolarHBondContact O-N 2.93Å; R64-S66 PolarHBondContact O-N 3.17Å |
| 65 | D | 48.4 | Very low | 49.7 | Very low | 152 Ų | 152 | 146.5 Ų | 146.5 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | trans | -70.1 | 78.2 | 173 | -66.5 | -57.3 | 0 | 0 | 0 | 110 | R63 S67 | R63-D65 PolarHBondContact O-N 3.06Å; D65-S67 VanDerWaalsContact C-N 3.35Å; D65-S67 PolarHBondContact O-N 3.29Å |
| 66 | S | 40.7 | Very low | 48.6 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -65.4 | 94.7 | 170.9 | -71.9 | 0 | 0 | 0 | 0 | 109.4 | R64 E68 | R64-S66 PolarHBondContact O-N 3.17Å; S66-E68 PolarHBondContact O-N 3.32Å |
| 67 | S | 46.8 | Very low | 47.9 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | -72.6 | 102.7 | 178.9 | -65 | 0 | 0 | 0 | 0 | 111 | D65 | D65-S67 VanDerWaalsContact C-N 3.35Å; D65-S67 PolarHBondContact O-N 3.29Å |
| 68 | E | 44.8 | Very low | 47.8 | Very low | 169 Ų | 169 | 148.9 Ų | 148.9 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -120.7 | 64.1 | 162.4 | -164.2 | 169.5 | 102.9 | 0 | 0 | 110.7 | S66 Q70 | S66-E68 PolarHBondContact O-N 3.32Å; E68-Q70 HydrophobicContact CG-CG 4.4Å |
| 69 | S | 40.7 | Very low | 47.6 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -94.4 | 88.3 | 163.6 | -169.6 | 0 | 0 | 0 | 0 | 108.6 | L71 | S69-L71 PolarHBondContact O-N 2.77Š|
| 70 | Q | 43.8 | Very low | 46.9 | Very low | 159 Ų | 159 | 145.5 Ų | 145.5 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | | | trans | -78.2 | 110.6 | 169.3 | -70.5 | -161.1 | 33.3 | 0 | 0 | 110.2 | E68 | E68-Q70 HydrophobicContact CG-CG 4.4Š|
| 71 | L | 40.9 | Very low | 46.2 | Very low | 169 Ų | 169 | 144 Ų | 144 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | | | trans | -138.8 | 125.6 | 144.8 | -76.9 | -176.5 | 0 | 0 | 0 | 108.7 | S69 | S69-L71 PolarHBondContact O-N 2.77Š|
| 72 | A | 37.4 | Very low | 45.5 | Very low | 97 Ų | 97 | 141 Ų | 141 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | | | trans | -84.8 | 140.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 73 | S | 45.5 | Very low | 44.9 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | | | trans | -165 | 114 | 146.1 | -81.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 74 | T | 40.1 | Very low | 45 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | | | trans | 40.2 | 109 | 138.6 | 59.8 | 0 | 0 | 0 | 0 | 119.9 | | |
| 75 | E | 43.6 | Very low | 44.6 | Very low | 183 Ų | 183 | 141.9 Ų | 141.9 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | | | | 54.7 | 103.5 | 110.6 | -170.5 | -168 | 150.2 | 0 | 0 | 118.9 | | |
| 76 | S | 41.8 | Very low | 44.8 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | | | | -163.5 | 168.8 | 121.4 | -139.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 77 | D | 41.9 | Very low | 45.6 | Very low | 135 Ų | 135 | 141.6 Ų | 141.6 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | | | trans | -90.6 | 170.4 | -163.9 | -157.5 | -57.9 | 0 | 0 | 0 | 114 | | |
| 78 | K | 48.2 | Very low | 46.3 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | | | trans | 84.6 | 123.3 | 161.2 | -53.1 | -178.3 | -175.5 | 178.8 | 0 | 120 | | |
| 79 | P | 52 | Low | 47.2 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -84.5 | 134.3 | 159.3 | 33.7 | -29.6 | 0 | 0 | 0 | 111 | | |
| 80 | T | 43.8 | Very low | 48.1 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -132.2 | 120.2 | 168 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 81 | T | 41.9 | Very low | 48.7 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | | | trans | -21.2 | 127.3 | 165.6 | -49.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 82 | G | 48.5 | Very low | 49.6 | Very low | 76 Ų | 76 | 137.3 Ų | 137.3 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | | | trans | -68.5 | 168.2 | -167.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 83 | R | 43.6 | Very low | 50.5 | Low | 237 Ų | 237 | 137.6 Ų | 137.6 | 89% | 0.894 | 77% | 0.774 | S | S | * | * | | | trans | -140.6 | 140.6 | 152.3 | -156.8 | 174.7 | -166.6 | -83.6 | 0.4 | 110.1 | | |
| 84 | V | 54.8 | Low | 51.2 | Low | 117 Ų | 117 | 139.5 Ų | 139.5 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | | | trans | -42.5 | 131.4 | 176.5 | 179.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 85 | Y | 46.7 | Very low | 52.2 | Low | 212 Ų | 212 | 140.2 Ų | 140.2 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | trans | -109.6 | 135.1 | 149.9 | -174.1 | -92 | 0 | 0 | 0 | 108 | | |
| 86 | E | 54.1 | Low | 52.8 | Low | 142 Ų | 142 | 136.3 Ų | 136.3 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | | | trans | -72.8 | 131 | -174.8 | -83.1 | -74.2 | -168.1 | 0 | 0 | 112.4 | | |
| 87 | S | 56.3 | Low | 53.8 | Low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | | | trans | -128.9 | 57.8 | 170.8 | -71.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 88 | D | 61.4 | Low | 54.6 | Low | 146 Ų | 146 | 135.4 Ų | 135.4 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | | | trans | -62.7 | 165.4 | 172.2 | -174.4 | 25.7 | 0 | 0 | 0 | 111.8 | | |
| 89 | S | 63.8 | Low | 55.1 | Low | 100 Ų | 100 | 133.2 Ų | 133.2 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 70.7 | 79.6 | 172 | 178.6 | 0 | 0 | 0 | 0 | 117 | | |
| 90 | S | 60.8 | Low | 55.6 | Low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | S | Bend | | -167.1 | 3.6 | 127.9 | 43.7 | 0 | 0 | 0 | 0 | 117.6 | H92 | S90-H92 PolarHBondContact O-N 3.34Š|
| 91 | N | 54.9 | Low | 56.6 | Low | 124 Ų | 124 | 128.8 Ų | 128.8 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | | | trans | -101.2 | 67.6 | -179.5 | -80.6 | -40 | 0 | 0 | 0 | 114.8 | C93 | N91-C93 PolarHBondContact O-N 2.88Å; N91-C93 VanDerWaalsContact O-N 3.15Å |
| 92 | H | 60.8 | Low | 57.7 | Low | 164 Ų | 164 | 130 Ų | 130 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -67.4 | -8.3 | 175 | -172.3 | 59.2 | 0 | 0 | 0 | 114.1 | S90 | S90-H92 PolarHBondContact O-N 3.34Š|
| 93 | C | 55.1 | Low | 58.4 | Low | 103 Ų | 103 | 133.6 Ų | 133.6 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -82.7 | -9.7 | -179.2 | 48.5 | 0 | 0 | 0 | 0 | 115.3 | N91 | N91-C93 PolarHBondContact O-N 2.88Å; N91-C93 VanDerWaalsContact O-N 3.15Å |
| 94 | M | 60.5 | Low | 59.4 | Low | 148 Ų | 148 | 125 Ų | 125 | 73% | 0.729 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -90.8 | 1.8 | -179.8 | -66.9 | -54.8 | -56.6 | 0 | 0 | 114.3 | S96 | M94-S96 PolarHBondContact O-N 2.88Š|
| 95 | L | 62.1 | Low | 59.8 | Low | 134 Ų | 134 | 126.2 Ų | 126.2 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | | | trans | -84.7 | 98 | 171.9 | -63.7 | -179.4 | 0 | 0 | 0 | 109.9 | | |
| 96 | S | 55.4 | Low | 60.4 | Low | 101 Ų | 101 | 121 Ų | 121 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 140.6 | 171.3 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | M94 S98 | M94-S96 PolarHBondContact O-N 2.88Å; S96-S98 PolarHBondContact O-N 2.97Å; S96-S98 VanDerWaalsContact O-N 3.07Å |
| 97 | P | 63.1 | Low | 60.9 | Low | 126 Ų | 126 | 121.8 Ų | 121.8 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 116.7 | 169.2 | 27 | -32.9 | 0 | 0 | 0 | 108.5 | S99 | P97-S99 PolarHBondContact O-N 3.32Š|
| 98 | S | 59.1 | Low | 61.2 | Low | 115 Ų | 115 | 122 Ų | 122 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 126.2 | 179.1 | -65.2 | 0 | 0 | 0 | 0 | 110.1 | S96 S100 | S96-S98 PolarHBondContact O-N 2.97Å; S96-S98 VanDerWaalsContact O-N 3.07Å; S98-S100 PolarHBondContact O-N 3.38Å |
| 99 | S | 58.2 | Low | 60.9 | Low | 124 Ų | 124 | 122 Ų | 122 | 87% | 0.867 | 74% | 0.735 | S | S | * | * | | | trans | -68.3 | 99 | 174.8 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | P97 G101 | P97-S99 PolarHBondContact O-N 3.32Å; S99-G101 PolarHBondContact O-N 2.98Å |
| 100 | S | 62.9 | Low | 60.2 | Low | 109 Ų | 109 | 123.2 Ų | 123.2 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | | | trans | -89.1 | 81.2 | 171.6 | 179.9 | 0 | 0 | 0 | 0 | 109 | S98 H102 | S98-S100 PolarHBondContact O-N 3.38Å; S100-H102 PolarHBondContact O-N 3.09Å |
| 101 | G | 64.6 | Low | 59.9 | Low | 58 Ų | 58 | 122.9 Ų | 122.9 | 60% | 0.598 | 74% | 0.741 | S | S | * | * | | | trans | -61.8 | 104.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S99 L103 | S99-G101 PolarHBondContact O-N 2.98Å; G101-L103 PolarHBondContact O-N 2.95Å |
| 102 | H | 66.1 | Low | 59.6 | Low | 168 Ų | 168 | 120.5 Ų | 120.5 | 78% | 0.778 | 74% | 0.739 | S | S | * | * | | | trans | -89.1 | 83.5 | 178.6 | -166.5 | 37.7 | 0 | 0 | 0 | 110.3 | S100 A104 | S100-H102 PolarHBondContact O-N 3.09Å; H102-A104 WeakPolarHBondContact CE1-CB 3.18Å; H102-A104 PolarHBondContact O-N 2.91Å |
| 103 | L | 61.5 | Low | 59 | Low | 150 Ų | 150 | 122.4 Ų | 122.4 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | trans | -78.6 | 100.4 | 163.6 | -70.5 | -56.2 | 0 | 0 | 0 | 106.8 | G101 | G101-L103 PolarHBondContact O-N 2.95Š|
| 104 | A | 65.8 | Low | 59 | Low | 56 Ų | 56 | 125.7 Ų | 125.7 | 46% | 0.463 | 75% | 0.754 | S | S | . | * | | | trans | -156.5 | 63.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | H102 S106 | H102-A104 WeakPolarHBondContact CE1-CB 3.18Å; H102-A104 PolarHBondContact O-N 2.91Å; A104-S106 PolarHBondContact O-N 3.18Å |
| 105 | D | 62 | Low | 58.3 | Low | 144 Ų | 144 | 126 Ų | 126 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | | 29 | 96.9 | 117 | -44.8 | -11.9 | 0 | 0 | 0 | 115.7 | | |
| 106 | S | 61 | Low | 57.2 | Low | 103 Ų | 103 | 126.5 Ų | 126.5 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | | | trans | -168.2 | 65.7 | 151.4 | -82.4 | 0 | 0 | 0 | 0 | 111.1 | A104 T108 | A104-S106 PolarHBondContact O-N 3.18Å; S106-T108 PolarHBondContact O-N 2.88Å |
| 107 | D | 63.3 | Low | 56.7 | Low | 157 Ų | 157 | 127.4 Ų | 127.4 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | | | trans | -69.2 | 79.9 | 161.3 | -75.6 | -52.9 | 0 | 0 | 0 | 109.5 | L109 | D107-L109 PolarHBondContact O-N 3.33Š|
| 108 | T | 63.4 | Low | 55.5 | Low | 122 Ų | 122 | 126 Ų | 126 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | -73.9 | 81.4 | 170.2 | 57.6 | 0 | 0 | 0 | 0 | 109.1 | S106 S110 | S106-T108 PolarHBondContact O-N 2.88Å; T108-S110 PolarHBondContact O-N 3.31Å |
| 109 | L | 54.6 | Low | 54.7 | Low | 145 Ų | 145 | 129.4 Ų | 129.4 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | | | trans | -62.5 | 105 | 165.3 | -58.9 | -163.9 | 0 | 0 | 0 | 107.7 | D107 S111 | D107-L109 PolarHBondContact O-N 3.33Å; L109-S111 PolarHBondContact O-N 3.22Å |
| 110 | S | 49.1 | Very low | 53.6 | Low | 125 Ų | 125 | 127.9 Ų | 127.9 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | | | trans | -74.2 | 79.3 | 179 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | T108 | T108-S110 PolarHBondContact O-N 3.31Š|
| 111 | S | 53.9 | Low | 52.4 | Low | 104 Ų | 104 | 131.1 Ų | 131.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -64.8 | 135.3 | -178.2 | -62 | 0 | 0 | 0 | 0 | 112.6 | L109 | L109-S111 PolarHBondContact O-N 3.22Š|
| 112 | A | 50 | Low | 51 | Low | 74 Ų | 74 | 134.7 Ų | 134.7 | 61% | 0.612 | 77% | 0.765 | S | S | * | * | | | trans | 46.6 | 88.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | E114 | A112-E114 PolarHBondContact O-N 2.9Å; A112-E114 VanDerWaalsContact O-N 3.17Å |
| 113 | E | 47.7 | Very low | 49.6 | Very low | 204 Ų | 204 | 131.7 Ų | 131.7 | 95% | 0.953 | 77% | 0.769 | S | S | * | * | | | trans | -77.8 | 73.5 | 144 | 57.4 | 179.9 | 126.1 | 0 | 0 | 109.7 | N115 | E113-N115 PolarHBondContact O-N 3.48Š|
| 114 | E | 54.2 | Low | 48.7 | Very low | 173 Ų | 173 | 131.4 Ų | 131.4 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | | | trans | -77.8 | 110.8 | 169.9 | 63.8 | -171.2 | 108.6 | 0 | 0 | 110.7 | A112 E116 | A112-E114 PolarHBondContact O-N 2.9Å; A112-E114 VanDerWaalsContact O-N 3.17Å; E114-E116 PolarHBondContact O-N 3.03Å |
| 115 | N | 46.7 | Very low | 47.6 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -74 | 104.2 | -176.9 | 156.3 | 72.4 | 0 | 0 | 0 | 111.9 | E113 | E113-N115 PolarHBondContact O-N 3.48Š|
| 116 | E | 39.1 | Very low | 46.3 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | | | trans | -158.5 | 130.5 | 142.6 | -152 | -166.9 | 117.2 | 0 | 0 | 113.4 | E114 S118 | E114-E116 PolarHBondContact O-N 3.03Å; E116-S118 VanDerWaalsContact OE1-CB 3.25Å; E116-S118 WeakPolarHBondContact OE1-CB 3.47Å; E116-S118 PolarHBondContact OE1-OG 3.48Å |
| 117 | P | 44.2 | Very low | 45 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -100.5 | 83.2 | 169.7 | 36.5 | -30.6 | 0 | 0 | 0 | 112.2 | | |
| 118 | S | 38 | Very low | 44.3 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | | | trans | -95.6 | 147.2 | 174.9 | -103.5 | 0 | 0 | 0 | 0 | 113.8 | E116 | E116-S118 VanDerWaalsContact OE1-CB 3.25Å; E116-S118 WeakPolarHBondContact OE1-CB 3.47Å; E116-S118 PolarHBondContact OE1-OG 3.48Å |
| 119 | Q | 42.7 | Very low | 43.3 | Very low | 187 Ų | 187 | 134.7 Ų | 134.7 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -95.3 | -177.1 | -173.8 | -60.2 | -174.2 | 3.6 | 0 | 0 | 112.8 | | |
| 120 | A | 35.7 | Very low | 42.4 | Very low | 93 Ų | 93 | 131 Ų | 131 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | 82.4 | 149.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 121 | E | 36 | Very low | 41.9 | Very low | 177 Ų | 177 | 132.1 Ų | 132.1 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | | | cis | -131.6 | 163.4 | 4.9 | -81.1 | -167.6 | 138.7 | 0 | 0 | 114.7 | | |
| 122 | T | 36.7 | Very low | 41.4 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | | | trans | -11.1 | 137.2 | 167 | 58.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 123 | A | 37.2 | Very low | 41 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | | | trans | -133.5 | 149.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 124 | V | 40.9 | Very low | 40.7 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | | | trans | -76.1 | 152.2 | -161.1 | 161.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 125 | E | 42.3 | Very low | 40 | Very low | 180 Ų | 180 | 126.6 Ų | 126.6 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | | | trans | -24.8 | 148.4 | 161.4 | -77.6 | -72.4 | 173.1 | 0 | 0 | 118.7 | | |
| 126 | G | 35.3 | Very low | 40 | Very low | 73 Ų | 73 | 126.4 Ų | 126.4 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | | | trans | 166.8 | 96.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 127 | D | 33.2 | Very low | 40.6 | Very low | 155 Ų | 155 | 122.6 Ų | 122.6 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | | | trans | -92.9 | 179 | 178 | -141.3 | 28.6 | 0 | 0 | 0 | 111.9 | | |
| 128 | P | 50.3 | Low | 40.8 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 70% | 0.695 | 82% | 0.818 | S | S | * | * | | | | -133.2 | 108.7 | -112.1 | 37.8 | -16.7 | 0 | 0 | 0 | 114.7 | | |
| 129 | S | 41.2 | Very low | 41.3 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 95% | 0.951 | 83% | 0.829 | S | S | * | * | | | trans | -157.7 | 129.3 | 168 | -169 | 0 | 0 | 0 | 0 | 113.5 | | |
| 130 | G | 35.9 | Very low | 41.2 | Very low | 67 Ų | 67 | 129.5 Ų | 129.5 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | | | trans | 151.4 | 108.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 131 | V | 37.8 | Very low | 42 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | | | trans | 60.7 | 131.8 | 147.6 | 170.3 | 0 | 0 | 0 | 0 | 120 | | |
| 132 | S | 45.4 | Very low | 42.4 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 88% | 0.881 | 83% | 0.829 | S | S | * | * | | | trans | -71.1 | 126.7 | 172.1 | -54.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 133 | G | 39.8 | Very low | 43.2 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | | | trans | -129.8 | 122.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 134 | A | 42.6 | Very low | 43.7 | Very low | 97 Ų | 97 | 144 Ų | 144 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | | | trans | -99.4 | 124.4 | -174 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 135 | T | 39.4 | Very low | 44.2 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 85% | 0.847 | 83% | 0.825 | S | S | * | * | | | | -178.2 | 147.3 | 126.2 | 23.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 136 | V | 45.8 | Very low | 44.6 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 19.7 | 121.4 | 157.6 | -170.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 137 | G | 52 | Low | 45.3 | Very low | 66 Ų | 66 | 144.3 Ų | 144.3 | 68% | 0.68 | 83% | 0.826 | S | S | * | * | | | trans | 161.3 | -29.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | K139 | G137-K139 PolarHBondContact O-N 2.89Š|
| 138 | R | 49.4 | Very low | 46 | Very low | 239 Ų | 239 | 144.6 Ų | 144.6 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | | | trans | -74.1 | 79.4 | -168 | -60.1 | -173.1 | 79.6 | -157.4 | 8.1 | 114.6 | S140 | R138-S140 PolarHBondContact O-N 2.9Š|
| 139 | K | 46.8 | Very low | 46.1 | Very low | 211 Ų | 211 | 146.6 Ų | 146.6 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | | | trans | -76.2 | 72.4 | 164.4 | -69.2 | -178 | -179.1 | 175.9 | 0 | 110.7 | G137 | G137-K139 PolarHBondContact O-N 2.89Š|
| 140 | S | 41.2 | Very low | 46.7 | Very low | 97 Ų | 97 | 144.3 Ų | 144.3 | 68% | 0.678 | 82% | 0.817 | S | S | * | * | | | trans | -71.5 | 139.3 | 179 | -172.3 | 0 | 0 | 0 | 0 | 112.4 | R138 R142 | R138-S140 PolarHBondContact O-N 2.9Å; S140-R142 PolarHBondContact O-N 3.21Å |
| 141 | R | 53 | Low | 47.8 | Very low | 238 Ų | 238 | 148 Ų | 148 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | | | trans | -34.2 | 119 | 168.2 | -58.9 | 163 | 175.9 | 146.8 | -4.2 | 114.3 | | |
| 142 | R | 44.9 | Very low | 48.6 | Very low | 234 Ų | 234 | 148.9 Ų | 148.9 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | | -158.7 | 136 | 128.9 | -149.3 | 159.9 | -169.8 | 78 | -1.2 | 112.5 | S140 | S140-R142 PolarHBondContact O-N 3.21Š|
| 143 | S | 52.5 | Low | 48.8 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | | | trans | -85.7 | 135.3 | 169.6 | -18.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 144 | R | 47.1 | Very low | 49.4 | Very low | 233 Ų | 233 | 148.9 Ų | 148.9 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | | | trans | -172.3 | 163.9 | 141.2 | -105.3 | 158.1 | -169.9 | -135.4 | -3 | 111.7 | | |
| 145 | S | 52.7 | Low | 50.1 | Low | 118 Ų | 118 | 154 Ų | 154 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | | | trans | -96.4 | 128 | -173.9 | -42.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 146 | E | 49.8 | Very low | 51.4 | Low | 157 Ų | 157 | 156.4 Ų | 156.4 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | | | trans | -128 | 83.7 | -175.9 | -72.8 | 174.2 | 178.2 | 0 | 0 | 110.5 | E148 | E146-E148 VanDerWaalsContact C-N 3.33Å; E146-E148 HydrophobicContact CB-CG 4.27Å; E146-E148 PolarHBondContact O-N 3.03Å; E146-E148 VanDerWaalsContact O-N 3.16Å |
| 147 | S | 51.1 | Low | 51.7 | Low | 128 Ų | 128 | 156 Ų | 156 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | | | trans | -83.4 | 73 | 173.8 | -66.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 148 | E | 46.8 | Very low | 51.4 | Low | 161 Ų | 161 | 164 Ų | 164 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | | | trans | -102.7 | 93.6 | -170 | -62.3 | -153.1 | 136.4 | 0 | 0 | 114.6 | E146 | E146-E148 VanDerWaalsContact C-N 3.33Å; E146-E148 HydrophobicContact CB-CG 4.27Å; E146-E148 PolarHBondContact O-N 3.03Å; E146-E148 VanDerWaalsContact O-N 3.16Å |
| 149 | T | 52.3 | Low | 51.8 | Low | 148 Ų | 148 | 161.3 Ų | 161.3 | 91% | 0.908 | 83% | 0.825 | S | S | * | * | | | trans | -130.3 | 79 | 150.6 | 60.1 | 0 | 0 | 0 | 0 | 109 | | |
| 150 | S | 54.3 | Low | 52 | Low | 88 Ų | 88 | 156.7 Ų | 156.7 | 62% | 0.615 | 82% | 0.82 | S | S | * | * | | | trans | -106.3 | 117.3 | -179.1 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 151 | T | 58.3 | Low | 52.5 | Low | 144 Ų | 144 | 157.3 Ų | 157.3 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | | | trans | -131.5 | 98.8 | 165.3 | 49.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 152 | M | 54.6 | Low | 52.6 | Low | 170 Ų | 170 | 152.4 Ų | 152.4 | 84% | 0.837 | 82% | 0.816 | S | S | * | * | | | trans | -55 | 137.3 | -174.9 | -53 | -69.8 | -173.1 | 0 | 0 | 113.9 | | |
| 153 | A | 50.7 | Low | 53.1 | Low | 104 Ų | 104 | 150 Ų | 150 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | | | | -178.5 | 149.5 | 124.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 154 | A | 51.8 | Low | 53.1 | Low | 100 Ų | 100 | 153.5 Ų | 153.5 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | | | trans | -90.2 | 155.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 155 | K | 58.7 | Low | 53.3 | Low | 203 Ų | 203 | 150.7 Ų | 150.7 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | | | | 140.4 | 130.6 | 118.6 | -166.9 | 167.1 | -175.5 | 173.6 | 0 | 114.9 | | |
| 156 | K | 66.4 | Low | 53.3 | Low | 189 Ų | 189 | 147.6 Ų | 147.6 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | trans | 67 | 99 | 162.4 | -167.4 | -179.7 | 178.3 | -178 | 0 | 118.9 | | |
| 157 | N | 51.2 | Low | 53.4 | Low | 139 Ų | 139 | 152 Ų | 152 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | | | trans | 25.7 | 111.5 | 131.4 | -175.8 | 2.2 | 0 | 0 | 0 | 118.4 | | |
| 158 | R | 46.6 | Very low | 53.5 | Low | 234 Ų | 234 | 152.5 Ų | 152.5 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | | | | -141 | 130 | 128.5 | -152.8 | 172.8 | -169.7 | 162.3 | 3 | 109.7 | S160 | R158-S160 PolarHBondContact O-N 3.45Š|
| 159 | Q | 57.8 | Low | 53.8 | Low | 183 Ų | 183 | 149.2 Ų | 149.2 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | | | trans | -64.3 | 129 | 161.3 | -73.7 | -179.9 | -24.2 | 0 | 0 | 108.6 | | |
| 160 | S | 50.7 | Low | 53.8 | Low | 114 Ų | 114 | 151.6 Ų | 151.6 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | | | trans | -128 | 117.7 | 165.2 | 58.6 | 0 | 0 | 0 | 0 | 108.2 | R158 | R158-S160 PolarHBondContact O-N 3.45Š|
| 161 | S | 51.6 | Low | 54 | Low | 111 Ų | 111 | 154.1 Ų | 154.1 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | | | trans | -53 | 150.1 | -172.4 | 52 | 0 | 0 | 0 | 0 | 114.8 | K163 | S161-K163 PolarHBondContact O-N 2.95Š|
| 162 | D | 54 | Low | 54.2 | Low | 134 Ų | 134 | 157.1 Ų | 157.1 | 72% | 0.717 | 82% | 0.823 | S | S | * | * | | | trans | -34.9 | 119.7 | 153.2 | -170.9 | -22.3 | 0 | 0 | 0 | 112.4 | | |
| 163 | K | 56.3 | Low | 54.8 | Low | 183 Ų | 183 | 151.6 Ų | 151.6 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | | | trans | 166.6 | 91.8 | 149.6 | -93.5 | 159.6 | -175.3 | 176.2 | 0 | 111.3 | S161 | S161-K163 PolarHBondContact O-N 2.95Š|
| 164 | Q | 51.8 | Low | 55.7 | Low | 183 Ų | 183 | 155.3 Ų | 155.3 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | | | | 178.7 | 84.2 | 129.9 | 54.2 | -164 | -75.5 | 0 | 0 | 111.8 | G166 | Q164-G166 PolarHBondContact O-N 3.26Š|
| 165 | N | 51.2 | Low | 56.6 | Low | 173 Ų | 173 | 157.3 Ų | 157.3 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | | | trans | -69.3 | 82.6 | 167.5 | -75.7 | -37 | 0 | 0 | 0 | 109.9 | | |
| 166 | G | 53.8 | Low | 57.7 | Low | 53 Ų | 53 | 151.1 Ų | 151.1 | 55% | 0.546 | 78% | 0.777 | S | S | . | * | | | trans | -170.2 | 36.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q164 V168 | Q164-G166 PolarHBondContact O-N 3.26Å; G166-V168 PolarHBondContact O-N 2.98Å; G166-V168 VanDerWaalsContact O-N 3.11Å |
| 167 | R | 51.3 | Low | 58.8 | Low | 249 Ų | 249 | 150 Ų | 150 | 94% | 0.94 | 78% | 0.775 | S | S | * | * | | | trans | -49.2 | 120.8 | 173.4 | -98.8 | -174.1 | 162.6 | -146.3 | -3.6 | 109.9 | A169 | R167-A169 PolarHBondContact O-N 3.22Š|
| 168 | V | 52.2 | Low | 60.8 | Low | 139 Ų | 139 | 151.1 Ų | 151.1 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | | | trans | -69.2 | 90.4 | -169.2 | -169.9 | 0 | 0 | 0 | 0 | 110.9 | G166 K170 | G166-V168 PolarHBondContact O-N 2.98Å; G166-V168 VanDerWaalsContact O-N 3.11Å; V168-K170 PolarHBondContact O-N 3.34Å |
| 169 | A | 54.8 | Low | 63.1 | Low | 92 Ų | 92 | 143.8 Ų | 143.8 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | | | trans | -63.9 | 116.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | R167 V171 | R167-A169 PolarHBondContact O-N 3.22Å; A169-V171 PolarHBondContact O-N 3.08Å |
| 170 | K | 51.2 | Low | 64.8 | Low | 199 Ų | 199 | 141.1 Ų | 141.1 | 87% | 0.865 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.1 | 108.9 | -169.7 | -65.5 | -177.9 | 178 | -178.2 | 0 | 113.4 | V168 K172 | V168-K170 PolarHBondContact O-N 3.34Å; K170-K172 VanDerWaalsContact C-N 3.31Å; K170-K172 PolarHBondContact O-N 3.32Å |
| 171 | V | 58.2 | Low | 66.9 | Low | 141 Ų | 141 | 141 Ų | 141 | 86% | 0.855 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 15.6 | 57.9 | 161.9 | -159.6 | 0 | 0 | 0 | 0 | 116.7 | A169 G173 | A169-V171 PolarHBondContact O-N 3.08Å; V171-G173 PolarHBondContact O-N 2.96Å |
| 172 | K | 64.1 | Low | 69.1 | Low | 206 Ų | 206 | 143 Ų | 143 | 90% | 0.896 | 71% | 0.712 | S | S | * | * | | | trans | -81 | 64.5 | 175.2 | -172.7 | 69.7 | 175.5 | -173.5 | 0 | 111.1 | K170 | K170-K172 VanDerWaalsContact C-N 3.31Å; K170-K172 PolarHBondContact O-N 3.32Å |
| 173 | G | 67.3 | Low | 71.1 | Confident | 54 Ų | 54 | 139.8 Ų | 139.8 | 56% | 0.557 | 69% | 0.694 | S | S | * | * | | | trans | 67.1 | 120.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | V171 R175 | V171-G173 PolarHBondContact O-N 2.96Å; G173-R175 PolarHBondContact O-N 3.28Å |
| 174 | H | 67.9 | Low | 72.9 | Confident | 183 Ų | 183 | 137.8 Ų | 137.8 | 85% | 0.847 | 68% | 0.681 | S | S | * | * | | | trans | -77.1 | 63.3 | -177.2 | -158.6 | 86.9 | 0 | 0 | 0 | 112.8 | S176 | H174-S176 PolarHBondContact O-N 3.07Š|
| 175 | R | 72.2 | Confident | 75.1 | Confident | 141 Ų | 141 | 133.2 Ų | 133.2 | 53% | 0.532 | 66% | 0.662 | S | S | . | * | | | trans | -67.3 | 121.9 | 176.7 | -128.1 | 173.4 | -173.3 | -173.4 | 0.7 | 109.4 | G173 H179 K180 | G173-R175 PolarHBondContact O-N 3.28Å; R175-H179 VanDerWaalsContact CD-CD2 3.47Å; R175-H179 WeakPolarHBondContact CD-CD2 3.43Å; R175-H179 HydrophobicContact CG-CB 4.26Å; R175-H179 PolarHBondContact NE-CD2 3.15Å; R175-H179 VanDerWaalsContact NE-CD2 3.32Å; R175-K180 WeakPolarHBondContact O-CE 3.37Å |
| 176 | S | 82 | Confident | 77.2 | Confident | 74 Ų | 74 | 129.2 Ų | 129.2 | 52% | 0.517 | 64% | 0.641 | S | S | . | * | | | trans | -47.1 | 146.1 | -179.7 | 171.9 | 0 | 0 | 0 | 0 | 113 | H174 K178 H179 K180 | H174-S176 PolarHBondContact O-N 3.07Å; S176-K178 VanDerWaalsContact C-N 3.33Å; S176-K178 PolarHBondContact O-N 2.94Å; S176-H179 WeakPolarHBondContact O-CA 3.32Å; S176-H179 VanDerWaalsContact O-CB 3.32Å; S176-H179 WeakPolarHBondContact O-CB 3.15Å; S176-H179 PolarHBondContact O-N 3.47Å; S176-K180 PolarHBondContact O-N 2.97Å |
| 177 | Q | 89.2 | Confident | 79.3 | Confident | 164 Ų | 164 | 134 Ų | 134 | 77% | 0.766 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -50.8 | -49 | 178 | 179.9 | 174.6 | -15 | 0 | 0 | 112.2 | H179 K180 E181 | Q177-H179 PolarHBondContact O-N 3.48Å; Q177-K180 PolarHBondContact O-N 3.32Å; Q177-K180 VanDerWaalsContact O-N 3.09Å; Q177-E181 WeakPolarHBondContact O-CB 3.15Å; Q177-E181 PolarHBondContact O-N 2.85Å |
| 178 | K | 92.8 | Very high | 81.4 | Confident | 163 Ų | 163 | 126.8 Ų | 126.8 | 71% | 0.709 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -56.4 | -31.8 | 174.8 | -176 | 173.3 | -177.3 | 172.8 | 0 | 112.9 | S176 R182 | S176-K178 VanDerWaalsContact C-N 3.33Å; S176-K178 PolarHBondContact O-N 2.94Å; K178-R182 WeakPolarHBondContact O-CB 3.49Å; K178-R182 PolarHBondContact O-N 3.24Å; K178-R182 VanDerWaalsContact O-N 3.08Å |
| 179 | H | 94.5 | Very high | 83.6 | Confident | 80 Ų | 80 | 127 Ų | 127 | 37% | 0.37 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -77.1 | -45.2 | 174.8 | -164.5 | 104.8 | 0 | 0 | 0 | 112.1 | R175 S176 Q177 E181 R182 I183 | R175-H179 VanDerWaalsContact CD-CD2 3.47Å; R175-H179 WeakPolarHBondContact CD-CD2 3.43Å; R175-H179 HydrophobicContact CG-CB 4.26Å; R175-H179 PolarHBondContact NE-CD2 3.15Å; R175-H179 VanDerWaalsContact NE-CD2 3.32Å; S176-H179 WeakPolarHBondContact O-CA 3.32Å; S176-H179 VanDerWaalsContact O-CB 3.32Å; S176-H179 WeakPolarHBondContact O-CB 3.15Å; S176-H179 PolarHBondContact O-N 3.47Å; Q177-H179 PolarHBondContact O-N 3.48Å; H179-E181 PolarHBondContact O-N 3.32Å; H179-R182 PolarHBondContact O-N 3.41Å; H179-I183 WeakPolarHBondContact O-CG1 3.48Å; H179-I183 PolarHBondContact O-N 2.95Å |
| 180 | K | 94.3 | Very high | 85.5 | Confident | 127 Ų | 127 | 130.7 Ų | 130.7 | 55% | 0.552 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -55.7 | -42.9 | 175.3 | -70.8 | 174.5 | 174 | 170.3 | 0 | 110.9 | R175 S176 Q177 I183 R184 | R175-K180 WeakPolarHBondContact O-CE 3.37Å; S176-K180 PolarHBondContact O-N 2.97Å; Q177-K180 PolarHBondContact O-N 3.32Å; Q177-K180 VanDerWaalsContact O-N 3.09Å; K180-I183 PolarHBondContact O-N 3.49Å; K180-R184 PolarHBondContact O-N 2.98Å |
| 181 | E | 94.8 | Very high | 87.5 | Confident | 112 Ų | 112 | 125 Ų | 125 | 52% | 0.523 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.9 | -48.3 | 174.8 | -178.5 | 173.1 | -149.5 | 0 | 0 | 113.1 | Q177 H179 I183 R184 L185 | Q177-E181 WeakPolarHBondContact O-CB 3.15Å; Q177-E181 PolarHBondContact O-N 2.85Å; H179-E181 PolarHBondContact O-N 3.32Å; E181-I183 PolarHBondContact O-N 2.92Å; E181-R184 WeakPolarHBondContact O-CA 3.48Å; E181-R184 WeakPolarHBondContact O-CB 3.49Å; E181-R184 PolarHBondContact O-N 3.32Å; E181-L185 PolarHBondContact O-N 3.43Å |
| 182 | R | 96.1 | Very high | 88.9 | Confident | 153 Ų | 153 | 120.6 Ų | 120.6 | 58% | 0.577 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -53.7 | -41.8 | 173.8 | 172.6 | 176.9 | -87.8 | 167.8 | -9.2 | 111.7 | K178 H179 L185 L186 | K178-R182 WeakPolarHBondContact O-CB 3.49Å; K178-R182 PolarHBondContact O-N 3.24Å; K178-R182 VanDerWaalsContact O-N 3.08Å; H179-R182 PolarHBondContact O-N 3.41Å; R182-L185 PolarHBondContact O-N 3.19Å; R182-L186 HydrophobicContact CG-CD1 3.92Å; R182-L186 WeakPolarHBondContact O-CB 3.37Å; R182-L186 VanDerWaalsContact O-CG 3.27Å; R182-L186 WeakPolarHBondContact O-CG 3.27Å; R182-L186 PolarHBondContact O-N 3.11Å |
| 183 | I | 96.2 | Very high | 89.9 | Confident | 66 Ų | 66 | 113.8 Ų | 113.8 | 34% | 0.338 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68 | -39.8 | 176.4 | -65.1 | -65.5 | 0 | 0 | 0 | 111.8 | H179 K180 E181 L186 R187 | H179-I183 WeakPolarHBondContact O-CG1 3.48Å; H179-I183 PolarHBondContact O-N 2.95Å; K180-I183 PolarHBondContact O-N 3.49Å; E181-I183 PolarHBondContact O-N 2.92Å; I183-L186 PolarHBondContact O-N 2.91Å; I183-R187 WeakPolarHBondContact O-CB 3.37Å; I183-R187 PolarHBondContact O-N 2.9Å |
| 184 | R | 95.8 | Very high | 90.6 | Very high | 142 Ų | 142 | 114.2 Ų | 114.2 | 54% | 0.536 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 173.5 | -168.4 | -170 | 68.4 | 70 | -0 | 111.1 | K180 E181 R187 Q188 | K180-R184 PolarHBondContact O-N 2.98Å; E181-R184 WeakPolarHBondContact O-CA 3.48Å; E181-R184 WeakPolarHBondContact O-CB 3.49Å; E181-R184 PolarHBondContact O-N 3.32Å; R184-R187 WeakPolarHBondContact O-CB 3.34Å; R184-R187 PolarHBondContact O-N 3.08Å; R184-Q188 WeakPolarHBondContact O-CB 3.4Å; R184-Q188 PolarHBondContact O-N 3.2Å |
| 185 | L | 96.8 | Very high | 91.2 | Very high | 86 Ų | 86 | 113.2 Ų | 113.2 | 45% | 0.45 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 179.7 | -173.4 | 64 | 0 | 0 | 0 | 112.3 | E181 R182 R187 Q188 K189 | E181-L185 PolarHBondContact O-N 3.43Å; R182-L185 PolarHBondContact O-N 3.19Å; L185-R187 VanDerWaalsContact C-N 3.27Å; L185-R187 PolarHBondContact O-N 3.36Å; L185-Q188 PolarHBondContact O-N 3.1Å; L185-K189 PolarHBondContact O-N 3.37Å |
| 186 | L | 96.6 | Very high | 91.3 | Very high | 90 Ų | 90 | 114.7 Ų | 114.7 | 47% | 0.471 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.3 | -24.5 | 174.4 | -74.3 | 171.2 | 0 | 0 | 0 | 113.2 | R182 I183 R190 | R182-L186 HydrophobicContact CG-CD1 3.92Å; R182-L186 WeakPolarHBondContact O-CB 3.37Å; R182-L186 VanDerWaalsContact O-CG 3.27Å; R182-L186 WeakPolarHBondContact O-CG 3.27Å; R182-L186 PolarHBondContact O-N 3.11Å; I183-L186 PolarHBondContact O-N 2.91Å; L186-R190 PolarHBondContact O-NE 3.07Å; L186-R190 PolarHBondContact O-NH2 2.85Å |
| 187 | R | 97.1 | Very high | 90.8 | Very high | 154 Ų | 154 | 119 Ų | 119 | 58% | 0.581 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -74.8 | -52.5 | 168.5 | -174.2 | -175.3 | -71.8 | -153.7 | -3.3 | 110.2 | I183 R184 L185 K189 R190 E191 | I183-R187 WeakPolarHBondContact O-CB 3.37Å; I183-R187 PolarHBondContact O-N 2.9Å; R184-R187 WeakPolarHBondContact O-CB 3.34Å; R184-R187 PolarHBondContact O-N 3.08Å; L185-R187 VanDerWaalsContact C-N 3.27Å; L185-R187 PolarHBondContact O-N 3.36Å; R187-K189 VanDerWaalsContact C-N 3.3Å; R187-K189 PolarHBondContact O-N 2.86Å; R187-R190 PolarHBondContact O-N 3.32Å; R187-E191 WeakPolarHBondContact CD-OE1 3.49Å; R187-E191 HydrophobicContact CG-CG 4.27Å; R187-E191 WeakPolarHBondContact CG-OE1 3.3Å; R187-E191 PolarHBondContact O-N 2.94Å |
| 188 | Q | 96.4 | Very high | 89.4 | Confident | 97 Ų | 97 | 118 Ų | 118 | 45% | 0.453 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -55.8 | -39.6 | -179.4 | -171.8 | 176.4 | -0.5 | 0 | 0 | 112.8 | R184 L185 A192 | R184-Q188 WeakPolarHBondContact O-CB 3.4Å; R184-Q188 PolarHBondContact O-N 3.2Å; L185-Q188 PolarHBondContact O-N 3.1Å; Q188-A192 VanDerWaalsContact O-CB 3.3Å; Q188-A192 WeakPolarHBondContact O-CB 3.43Å; Q188-A192 PolarHBondContact O-N 3.04Å |
| 189 | K | 96.6 | Very high | 88.2 | Confident | 144 Ų | 144 | 114 Ų | 114 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -38.9 | 174.5 | -76.8 | -167.3 | 173.8 | -167.5 | 0 | 113.3 | L185 R187 A193 | L185-K189 PolarHBondContact O-N 3.37Å; R187-K189 VanDerWaalsContact C-N 3.3Å; R187-K189 PolarHBondContact O-N 2.86Å; K189-A193 PolarHBondContact O-N 3.06Å; K189-A193 VanDerWaalsContact O-N 3.11Å |
| 190 | R | 96.3 | Very high | 86.5 | Confident | 168 Ų | 168 | 115.9 Ų | 115.9 | 63% | 0.634 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -71.6 | -41.9 | 177.1 | -75.8 | 178.7 | -72.8 | 168.3 | -2.1 | 111.8 | L186 R187 A192 A193 A194 | L186-R190 PolarHBondContact O-NE 3.07Å; L186-R190 PolarHBondContact O-NH2 2.85Å; R187-R190 PolarHBondContact O-N 3.32Å; R190-A192 VanDerWaalsContact C-N 3.34Å; R190-A192 PolarHBondContact O-N 2.95Å; R190-A193 PolarHBondContact O-N 3.06Å; R190-A194 PolarHBondContact O-N 3.48Å |
| 191 | E | 92.6 | Very high | 84.6 | Confident | 81 Ų | 81 | 115.2 Ų | 115.2 | 38% | 0.379 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 174 | -70.3 | 171.4 | -178.1 | 0 | 0 | 111.8 | R187 A194 R195 | R187-E191 WeakPolarHBondContact CD-OE1 3.49Å; R187-E191 HydrophobicContact CG-CG 4.27Å; R187-E191 WeakPolarHBondContact CG-OE1 3.3Å; R187-E191 PolarHBondContact O-N 2.94Å; E191-A194 PolarHBondContact O-N 2.82Å; E191-R195 WeakPolarHBondContact O-CB 3.47Å; E191-R195 WeakPolarHBondContact O-CG 3.45Å; E191-R195 PolarHBondContact O-N 3.38Å |
| 192 | A | 88.3 | Confident | 83 | Confident | 48 Ų | 48 | 115.2 Ų | 115.2 | 40% | 0.397 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q188 R190 R195 K196 | Q188-A192 VanDerWaalsContact O-CB 3.3Å; Q188-A192 WeakPolarHBondContact O-CB 3.43Å; Q188-A192 PolarHBondContact O-N 3.04Å; R190-A192 VanDerWaalsContact C-N 3.34Å; R190-A192 PolarHBondContact O-N 2.95Å; A192-R195 PolarHBondContact O-N 3.02Å; A192-K196 PolarHBondContact O-N 3.17Å |
| 193 | A | 83.4 | Confident | 81.1 | Confident | 63 Ų | 63 | 114 Ų | 114 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K189 R190 K196 K197 | K189-A193 PolarHBondContact O-N 3.06Å; K189-A193 VanDerWaalsContact O-N 3.11Å; R190-A193 PolarHBondContact O-N 3.06Å; A193-K196 PolarHBondContact O-N 2.82Å; A193-K197 PolarHBondContact O-N 2.91Å |
| 194 | A | 82.6 | Confident | 79.1 | Confident | 63 Ų | 63 | 115 Ų | 115 | 52% | 0.521 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.2 | -43.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | R190 E191 K197 Y198 | R190-A194 PolarHBondContact O-N 3.48Å; E191-A194 PolarHBondContact O-N 2.82Å; A194-K197 PolarHBondContact O-N 3.18Å; A194-Y198 PolarHBondContact O-N 3.2Å; A194-Y198 VanDerWaalsContact O-N 3.08Å |
| 195 | R | 80.1 | Confident | 77.1 | Confident | 161 Ų | 161 | 112.9 Ų | 112.9 | 61% | 0.608 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.6 | -41.1 | 174.8 | -74.5 | 175.3 | -177.1 | 152.6 | 5.3 | 112.3 | E191 A192 K197 Y198 N199 | E191-R195 WeakPolarHBondContact O-CB 3.47Å; E191-R195 WeakPolarHBondContact O-CG 3.45Å; E191-R195 PolarHBondContact O-N 3.38Å; A192-R195 PolarHBondContact O-N 3.02Å; R195-K197 VanDerWaalsContact C-N 3.28Å; R195-K197 PolarHBondContact O-N 2.78Å; R195-Y198 PolarHBondContact O-N 2.88Å; R195-N199 WeakPolarHBondContact O-CB 3.45Å; R195-N199 PolarHBondContact O-N 3.1Å; R195-N199 PolarHBondContact O-OD1 2.91Å; R195-N199 VanDerWaalsContact O-OD1 3.06Å |
| 196 | K | 75.7 | Confident | 75.1 | Confident | 173 Ų | 173 | 115.5 Ų | 115.5 | 75% | 0.752 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -58.7 | -36.8 | 173.4 | -80.1 | -165.4 | 172.4 | -160.7 | 0 | 113.1 | A192 A193 | A192-K196 PolarHBondContact O-N 3.17Å; A193-K196 PolarHBondContact O-N 2.82Å |
| 197 | K | 71.1 | Confident | 73 | Confident | 164 Ų | 164 | 116.2 Ų | 116.2 | 71% | 0.713 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.9 | -37.5 | 173.5 | -174.3 | -176.2 | 175.3 | -173.5 | 0 | 112.2 | A193 A194 R195 | A193-K197 PolarHBondContact O-N 2.91Å; A194-K197 PolarHBondContact O-N 3.18Å; R195-K197 VanDerWaalsContact C-N 3.28Å; R195-K197 PolarHBondContact O-N 2.78Å |
| 198 | Y | 60.3 | Low | 71.1 | Confident | 142 Ų | 142 | 115.8 Ų | 115.8 | 56% | 0.557 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -81.4 | -42.9 | -174.4 | -167.3 | -93.9 | 0 | 0 | 0 | 113.5 | A194 R195 L200 L201 Q202 | A194-Y198 PolarHBondContact O-N 3.2Å; A194-Y198 VanDerWaalsContact O-N 3.08Å; R195-Y198 PolarHBondContact O-N 2.88Å; Y198-L200 VanDerWaalsContact C-N 3.32Å; Y198-L200 PolarHBondContact O-N 2.84Å; Y198-L201 PolarHBondContact O-N 3.02Å; Y198-L201 VanDerWaalsContact O-N 3.1Å; Y198-Q202 HydrophobicContact CD1-CG 4.01Å; Y198-Q202 HydrophobicContact CE1-CG 3.62Å |
| 199 | N | 66 | Low | 69.5 | Low | 79 Ų | 79 | 115.9 Ų | 115.9 | 42% | 0.422 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -59.3 | -41.5 | -179.1 | -73.3 | 33.2 | 0 | 0 | 0 | 112.2 | R195 L201 Q202 D203 | R195-N199 WeakPolarHBondContact O-CB 3.45Å; R195-N199 PolarHBondContact O-N 3.1Å; R195-N199 PolarHBondContact O-OD1 2.91Å; R195-N199 VanDerWaalsContact O-OD1 3.06Å; N199-L201 PolarHBondContact O-N 3.11Å; N199-Q202 PolarHBondContact O-N 3.24Å; N199-D203 VanDerWaalsContact O-CG 3.24Å; N199-D203 PolarHBondContact O-N 3.17Å |
| 200 | L | 58.7 | Low | 68.3 | Low | 120 Ų | 120 | 116.1 Ų | 116.1 | 63% | 0.628 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -27.8 | 177.4 | -176.6 | 61.1 | 0 | 0 | 0 | 113.4 | Y198 S204 | Y198-L200 VanDerWaalsContact C-N 3.32Å; Y198-L200 PolarHBondContact O-N 2.84Å; L200-S204 PolarHBondContact O-OG 3.36Å |
| 201 | L | 55.8 | Low | 66.2 | Low | 113 Ų | 113 | 115.5 Ų | 115.5 | 59% | 0.592 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -6.6 | 177.7 | -61.1 | 173.8 | 0 | 0 | 0 | 114 | Y198 N199 | Y198-L201 PolarHBondContact O-N 3.02Å; Y198-L201 VanDerWaalsContact O-N 3.1Å; N199-L201 PolarHBondContact O-N 3.11Å |
| 202 | Q | 60.6 | Low | 64 | Low | 113 Ų | 113 | 117.2 Ų | 117.2 | 53% | 0.528 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105 | -39.5 | 177.3 | -63.8 | -67.9 | -59 | 0 | 0 | 111.1 | Y198 N199 S204 | Y198-Q202 HydrophobicContact CD1-CG 4.01Å; Y198-Q202 HydrophobicContact CE1-CG 3.62Å; N199-Q202 PolarHBondContact O-N 3.24Å; Q202-S204 PolarHBondContact O-N 3.45Å |
| 203 | D | 55.4 | Low | 62.4 | Low | 127 Ų | 127 | 121.2 Ų | 121.2 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -0.6 | -178.7 | -54.3 | -31.6 | 0 | 0 | 0 | 113.1 | N199 | N199-D203 VanDerWaalsContact O-CG 3.24Å; N199-D203 PolarHBondContact O-N 3.17Å |
| 204 | S | 54.6 | Low | 60.7 | Low | 88 Ų | 88 | 125.7 Ų | 125.7 | 62% | 0.615 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 16.5 | -173 | -57.7 | 0 | 0 | 0 | 0 | 114.4 | L200 Q202 | L200-S204 PolarHBondContact O-OG 3.36Å; Q202-S204 PolarHBondContact O-N 3.45Å |
| 205 | S | 54.7 | Low | 59.3 | Low | 96 Ų | 96 | 127.5 Ų | 127.5 | 67% | 0.671 | 70% | 0.695 | S | S | * | * | | | trans | -127.2 | 41.4 | -170.6 | -61.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 206 | T | 55.3 | Low | 57.9 | Low | 141 Ų | 141 | 125.8 Ų | 125.8 | 87% | 0.865 | 71% | 0.708 | S | S | * | * | | | trans | -142.7 | 66.2 | 163.1 | 57.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 207 | S | 51 | Low | 56.8 | Low | 106 Ų | 106 | 124.6 Ų | 124.6 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | | | trans | -154.7 | 61.4 | 165.8 | -165.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 208 | D | 58.3 | Low | 55.5 | Low | 145 Ų | 145 | 122.7 Ų | 122.7 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | | | trans | -69.2 | 125.3 | 162.1 | -178.9 | 10.7 | 0 | 0 | 0 | 108.6 | | |
| 209 | S | 62.3 | Low | 55.4 | Low | 98 Ų | 98 | 121.3 Ų | 121.3 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | | | trans | -162.7 | 68 | -176.6 | -73.5 | 0 | 0 | 0 | 0 | 110.2 | L211 | S209-L211 PolarHBondContact O-N 3.19Å; S209-L211 VanDerWaalsContact O-N 3.1Å |
| 210 | D | 71.6 | Confident | 54.6 | Low | 150 Ų | 150 | 123.5 Ų | 123.5 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | | | trans | -54.1 | 108.2 | 166.6 | -86.7 | -30.3 | 0 | 0 | 0 | 111.3 | | |
| 211 | L | 50.9 | Low | 54.3 | Low | 155 Ų | 155 | 124.5 Ų | 124.5 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | | | trans | -143.3 | 109.7 | 159.9 | -77.6 | -176.2 | 0 | 0 | 0 | 112 | S209 | S209-L211 PolarHBondContact O-N 3.19Å; S209-L211 VanDerWaalsContact O-N 3.1Å |
| 212 | T | 48.3 | Very low | 54.2 | Low | 116 Ų | 116 | 127.2 Ų | 127.2 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | | | trans | 56.3 | 104.9 | 148.7 | 57.2 | 0 | 0 | 0 | 0 | 119.2 | D214 | T212-D214 PolarHBondContact O-N 3.05Š|
| 213 | C | 53.6 | Low | 54 | Low | 132 Ų | 132 | 128.2 Ų | 128.2 | 89% | 0.892 | 79% | 0.785 | S | S | * | * | | | trans | -81.2 | 98.5 | 153.4 | -60.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 214 | D | 48 | Very low | 53.9 | Low | 158 Ų | 158 | 129.5 Ų | 129.5 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | trans | -92.8 | 131.8 | 163.4 | -94.7 | -52.7 | 0 | 0 | 0 | 110.7 | T212 | T212-D214 PolarHBondContact O-N 3.05Š|
| 215 | S | 52.1 | Low | 53.8 | Low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | trans | -98.5 | 148.4 | -169.8 | -63.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 216 | S | 52.4 | Low | 53.4 | Low | 125 Ų | 125 | 135.7 Ų | 135.7 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | -156.8 | 79.8 | 156.6 | -80.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 217 | T | 51.8 | Low | 53.5 | Low | 148 Ų | 148 | 134.7 Ų | 134.7 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | | | trans | -68.9 | 135.5 | 157 | 6.7 | 0 | 0 | 0 | 0 | 109 | | |
| 218 | S | 44.4 | Very low | 53.4 | Low | 124 Ų | 124 | 133 Ų | 133 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | -136.8 | 151 | 172.2 | -165.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 219 | S | 57.3 | Low | 52.3 | Low | 113 Ų | 113 | 131.6 Ų | 131.6 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | trans | -107.4 | 152.2 | -159.3 | 54.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 220 | S | 50.2 | Low | 51.5 | Low | 125 Ų | 125 | 131.5 Ų | 131.5 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | trans | -147.9 | 152.6 | 131.6 | -160.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 221 | D | 51.1 | Low | 50.4 | Low | 140 Ų | 140 | 133.2 Ų | 133.2 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | | | trans | -111 | 148.7 | 177.8 | -163.7 | -122 | 0 | 0 | 0 | 108 | | |
| 222 | D | 53.9 | Low | 50.2 | Low | 170 Ų | 170 | 131.8 Ų | 131.8 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | | | trans | -164.9 | 136.2 | 164.2 | -150.2 | -140.3 | 0 | 0 | 0 | 107.5 | | |
| 223 | D | 57.2 | Low | 50.4 | Low | 134 Ų | 134 | 134.5 Ų | 134.5 | 72% | 0.717 | 81% | 0.812 | S | S | * | * | | | trans | -131.8 | -174.1 | -159.9 | -155.4 | -14.5 | 0 | 0 | 0 | 112.4 | | |
| 224 | E | 53.3 | Low | 49.8 | Very low | 155 Ų | 155 | 134 Ų | 134 | 72% | 0.724 | 81% | 0.805 | S | S | * | * | | | trans | 92.4 | 161.2 | 163.5 | -61.4 | -68.7 | -178.9 | 0 | 0 | 120.7 | | |
| 225 | E | 51.5 | Low | 49.8 | Very low | 159 Ų | 159 | 130.6 Ų | 130.6 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | | | trans | 78.3 | 57 | 167.5 | -50.6 | -58.4 | 168.5 | 0 | 0 | 119 | S227 | E225-S227 PolarHBondContact O-N 3Š|
| 226 | V | 47.4 | Very low | 49.3 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | | | trans | -67 | 91 | 158.1 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 227 | S | 56.2 | Low | 49.5 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | -107.7 | 98.7 | 175.1 | -167 | 0 | 0 | 0 | 0 | 111.7 | E225 | E225-S227 PolarHBondContact O-N 3Š|
| 228 | G | 50.3 | Low | 49.3 | Very low | 72 Ų | 72 | 133.8 Ų | 133.8 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | -97.9 | 139.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 229 | S | 34.8 | Very low | 49.6 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -155.9 | 121.1 | 143.9 | 59.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 230 | S | 44.9 | Very low | 49.4 | Very low | 97 Ų | 97 | 130.6 Ų | 130.6 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | | | trans | 39.4 | 103.9 | 144.6 | -54.4 | 0 | 0 | 0 | 0 | 119.9 | | |
| 231 | K | 49.7 | Very low | 49.3 | Very low | 186 Ų | 186 | 127 Ų | 127 | 81% | 0.809 | 76% | 0.756 | S | S | * | * | | | | 179.6 | 143.5 | 106.7 | -83.7 | 135.7 | -145.5 | 136.4 | 0 | 112 | | |
| 232 | T | 46 | Very low | 49.1 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | | | trans | 52.5 | 132.2 | 156.8 | 47.5 | 0 | 0 | 0 | 0 | 119.8 | T234 | T232-T234 PolarHBondContact O-N 3Š|
| 233 | I | 52.6 | Low | 49 | Very low | 172 Ų | 172 | 123.9 Ų | 123.9 | 88% | 0.882 | 74% | 0.737 | S | S | * | * | | | trans | -72.9 | 93.1 | 172.8 | -56.8 | 172 | 0 | 0 | 0 | 109.7 | | |
| 234 | T | 41.7 | Very low | 48.5 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | | | trans | -86.1 | 112.3 | 155.6 | 44.1 | 0 | 0 | 0 | 0 | 108.3 | T232 E236 | T232-T234 PolarHBondContact O-N 3Å; T234-E236 PolarHBondContact O-N 3.07Å |
| 235 | A | 46.3 | Very low | 48.4 | Very low | 86 Ų | 86 | 123.8 Ų | 123.8 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | | | trans | -64.3 | 119.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | I237 | A235-I237 PolarHBondContact O-N 3.25Š|
| 236 | E | 41.4 | Very low | 48.6 | Very low | 186 Ų | 186 | 120 Ų | 120 | 87% | 0.869 | 72% | 0.72 | S | S | * | * | | | trans | -74.3 | 96.1 | -177.4 | -170.5 | 173.8 | -141.1 | 0 | 0 | 110.4 | T234 P238 | T234-E236 PolarHBondContact O-N 3.07Å; E236-P238 WeakPolarHBondContact O-CD 3.5Å |
| 237 | I | 57.2 | Low | 48.5 | Very low | 150 Ų | 150 | 118.5 Ų | 118.5 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | | | trans | -79.4 | 118 | 162.7 | -58.1 | 175.9 | 0 | 0 | 0 | 106.2 | A235 G239 | A235-I237 PolarHBondContact O-N 3.25Å; I237-G239 PolarHBondContact O-N 3.06Å |
| 238 | P | 47.5 | Very low | 48.2 | Very low | 105 Ų | 105 | 115.8 Ų | 115.8 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | | | trans | -65.8 | 93 | -176.1 | 23.7 | -33 | 0 | 0 | 0 | 111.7 | E236 T240 | E236-P238 WeakPolarHBondContact O-CD 3.5Å; P238-T240 PolarHBondContact O-N 3.43Å |
| 239 | G | 50.6 | Low | 48 | Very low | 59 Ų | 59 | 114 Ų | 114 | 61% | 0.608 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 36 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | I237 | I237-G239 PolarHBondContact O-N 3.06Š|
| 240 | T | 53.9 | Low | 48.9 | Very low | 110 Ų | 110 | 111.6 Ų | 111.6 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -26.2 | -180 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | P238 | P238-T240 PolarHBondContact O-N 3.43Š|
| 241 | G | 46.8 | Very low | 49.2 | Very low | 50 Ų | 50 | 117.3 Ų | 117.3 | 52% | 0.515 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -74.5 | -36.5 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 242 | F | 47.1 | Very low | 49.3 | Very low | 165 Ų | 165 | 119.1 Ų | 119.1 | 72% | 0.724 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -81.5 | -33.5 | -167.5 | -125.7 | -93.7 | 0 | 0 | 0 | 114.3 | Y244 V245 V246 | F242-Y244 PolarHBondContact O-N 3.15Å; F242-V245 PolarHBondContact O-N 3.12Å; F242-V246 HydrophobicContact CD1-CG2 4.2Å; F242-V246 PolarHBondContact O-N 3.27Å |
| 243 | C | 51.8 | Low | 49.7 | Very low | 80 Ų | 80 | 119 Ų | 119 | 54% | 0.541 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -61.2 | -41.8 | -175.6 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | V245 V246 Q247 | C243-V245 PolarHBondContact O-N 3.19Å; C243-V246 PolarHBondContact O-N 2.86Å; C243-Q247 WeakPolarHBondContact O-CB 3.47Å; C243-Q247 PolarHBondContact O-N 3.49Å |
| 244 | Y | 48 | Very low | 49.6 | Very low | 183 Ų | 183 | 114.1 Ų | 114.1 | 72% | 0.718 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.9 | -36.7 | 178.2 | -78.1 | -81 | 0 | 0 | 0 | 113 | F242 A248 | F242-Y244 PolarHBondContact O-N 3.15Å; Y244-A248 WeakPolarHBondContact O-CB 3.21Å; Y244-A248 PolarHBondContact O-N 3.49Å |
| 245 | V | 51.6 | Low | 50.4 | Low | 103 Ų | 103 | 112.9 Ų | 112.9 | 62% | 0.624 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.4 | -45.6 | 178.5 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | F242 C243 G249 | F242-V245 PolarHBondContact O-N 3.12Å; C243-V245 PolarHBondContact O-N 3.19Å; V245-G249 PolarHBondContact O-N 3.47Å |
| 246 | V | 54.1 | Low | 50.8 | Low | 79 Ų | 79 | 113.5 Ų | 113.5 | 48% | 0.479 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.8 | -44.1 | 177.6 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | F242 C243 G249 L250 | F242-V246 HydrophobicContact CD1-CG2 4.2Å; F242-V246 PolarHBondContact O-N 3.27Å; C243-V246 PolarHBondContact O-N 2.86Å; V246-G249 WeakPolarHBondContact O-CA 3.36Å; V246-G249 PolarHBondContact O-N 3.39Å; V246-G249 VanDerWaalsContact O-N 3.11Å; V246-L250 HydrophobicContact CG1-CD1 4.45Å; V246-L250 PolarHBondContact O-N 2.92Å |
| 247 | Q | 46.5 | Very low | 51.2 | Low | 125 Ų | 125 | 109.9 Ų | 109.9 | 58% | 0.584 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72 | -30.6 | -177.9 | -159.9 | 166.3 | 45 | 0 | 0 | 113.1 | C243 G249 R251 | C243-Q247 WeakPolarHBondContact O-CB 3.47Å; C243-Q247 PolarHBondContact O-N 3.49Å; Q247-G249 VanDerWaalsContact C-N 3.33Å; Q247-R251 PolarHBondContact O-N 3.21Å |
| 248 | A | 50.2 | Low | 51.1 | Low | 61 Ų | 61 | 108.9 Ų | 108.9 | 50% | 0.504 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.5 | -27.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y244 | Y244-A248 WeakPolarHBondContact O-CB 3.21Å; Y244-A248 PolarHBondContact O-N 3.49Å |
| 249 | G | 45.9 | Very low | 51.3 | Low | 34 Ų | 34 | 112 Ų | 112 | 35% | 0.351 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69.2 | -53.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V245 V246 Q247 R251 R252 | V245-G249 PolarHBondContact O-N 3.47Å; V246-G249 WeakPolarHBondContact O-CA 3.36Å; V246-G249 PolarHBondContact O-N 3.39Å; V246-G249 VanDerWaalsContact O-N 3.11Å; Q247-G249 VanDerWaalsContact C-N 3.33Å; G249-R251 VanDerWaalsContact C-N 3.29Å; G249-R251 PolarHBondContact O-N 3.22Å; G249-R252 PolarHBondContact O-N 3.38Å |
| 250 | L | 53 | Low | 51.4 | Low | 64 Ų | 64 | 114 Ų | 114 | 34% | 0.335 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -57.1 | -39 | -176.4 | -113 | 68.5 | 0 | 0 | 0 | 113.1 | V246 R252 L253 L258 | V246-L250 HydrophobicContact CG1-CD1 4.45Å; V246-L250 PolarHBondContact O-N 2.92Å; L250-R252 PolarHBondContact O-N 2.96Å; L250-L253 PolarHBondContact O-N 3.11Å; L250-L258 HydrophobicContact CD2-CG 4.47Å |
| 251 | R | 51.8 | Low | 51.2 | Low | 218 Ų | 218 | 113.5 Ų | 113.5 | 82% | 0.823 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -12.5 | 177.3 | -75.2 | -170.6 | 176.8 | -163.7 | 0.9 | 114.7 | Q247 G249 | Q247-R251 PolarHBondContact O-N 3.21Å; G249-R251 VanDerWaalsContact C-N 3.29Å; G249-R251 PolarHBondContact O-N 3.22Å |
| 252 | R | 52.4 | Low | 51.3 | Low | 223 Ų | 223 | 114.2 Ų | 114.2 | 84% | 0.842 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -11.8 | 172.7 | -61.2 | -167.4 | -171.2 | -148.2 | 4.3 | 114.5 | G249 L250 | G249-R252 PolarHBondContact O-N 3.38Å; L250-R252 PolarHBondContact O-N 2.96Å |
| 253 | L | 52.7 | Low | 51.4 | Low | 124 Ų | 124 | 110.3 Ų | 110.3 | 65% | 0.649 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -2.1 | -172.5 | -64.7 | 178.1 | 0 | 0 | 0 | 114.1 | L250 L255 | L250-L253 PolarHBondContact O-N 3.11Å; L253-L255 HydrophobicContact CB-CD1 4.29Å; L253-L255 HydrophobicContact CB-CG 4.46Å; L253-L255 PolarHBondContact O-N 3.22Å |
| 254 | G | 52 | Low | 51.2 | Low | 69 Ų | 69 | 112.5 Ų | 112.5 | 71% | 0.711 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.4 | 10.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S256 | G254-S256 PolarHBondContact O-N 3.44Š|
| 255 | L | 57.1 | Low | 51.2 | Low | 97 Ų | 97 | 107.7 Ų | 107.7 | 51% | 0.508 | 60% | 0.599 | S | S | . | * | | | trans | -83.1 | 93.4 | -179.8 | -67.3 | 167.9 | 0 | 0 | 0 | 110.4 | L253 D257 | L253-L255 HydrophobicContact CB-CD1 4.29Å; L253-L255 HydrophobicContact CB-CG 4.46Å; L253-L255 PolarHBondContact O-N 3.22Å; L255-D257 VanDerWaalsContact C-N 3.32Å |
| 256 | S | 54.4 | Low | 51 | Low | 98 Ų | 98 | 105.6 Ų | 105.6 | 69% | 0.685 | 59% | 0.592 | S | S | * | * | | | trans | -72.2 | -25.2 | 170.1 | 43.5 | 0 | 0 | 0 | 0 | 113.2 | G254 L258 | G254-S256 PolarHBondContact O-N 3.44Å; S256-L258 PolarHBondContact O-N 3.46Å |
| 257 | D | 50.7 | Low | 50.7 | Low | 111 Ų | 111 | 108.9 Ų | 108.9 | 59% | 0.594 | 60% | 0.603 | S | S | * | * | | | trans | -95.1 | 64.5 | -157.5 | -62.5 | 5.6 | 0 | 0 | 0 | 111.9 | L255 H259 T260 | L255-D257 VanDerWaalsContact C-N 3.32Å; D257-H259 PolarHBondContact O-N 2.96Å; D257-T260 PolarHBondContact O-N 2.96Å |
| 258 | L | 55.3 | Low | 50.8 | Low | 128 Ų | 128 | 108.8 Ų | 108.8 | 67% | 0.67 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -56.7 | -13.9 | -179.3 | -108 | 156.5 | 0 | 0 | 0 | 114.9 | L250 S256 | L250-L258 HydrophobicContact CD2-CG 4.47Å; S256-L258 PolarHBondContact O-N 3.46Å |
| 259 | H | 52.3 | Low | 50.7 | Low | 170 Ų | 170 | 112.4 Ų | 112.4 | 79% | 0.787 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -80.5 | -21.4 | -176.8 | -159 | -76.6 | 0 | 0 | 0 | 114.2 | D257 | D257-H259 PolarHBondContact O-N 2.96Å |
| 260 | T | 51 | Low | 50.7 | Low | 101 Ų | 101 | 121.3 Ų | 121.3 | 62% | 0.62 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -91.4 | -27.3 | -173.9 | -51.4 | 0 | 0 | 0 | 0 | 113 | D257 | D257-T260 PolarHBondContact O-N 2.96Å |
| 261 | L | 50.3 | Low | 50.4 | Low | 100 Ų | 100 | 125 Ų | 125 | 52% | 0.524 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -78.6 | -27.4 | -177.4 | -91.8 | 156.6 | 0 | 0 | 0 | 113.9 | S263 Q264 S265 | L261-S263 VanDerWaalsContact C-N 3.32Å; L261-S263 PolarHBondContact O-N 3.47Å; L261-Q264 PolarHBondContact O-N 3.24Å; L261-S265 PolarHBondContact O-N 3.01Å |
| 262 | A | 49.5 | Very low | 50.4 | Low | 65 Ų | 65 | 119.2 Ų | 119.2 | 54% | 0.537 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -62.7 | -36.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q264 S265 | A262-Q264 VanDerWaalsContact C-N 3.32Å; A262-Q264 PolarHBondContact O-N 3.32Å; A262-S265 PolarHBondContact O-OG 2.97Å |
| 263 | S | 48 | Very low | 50.2 | Low | 84 Ų | 84 | 116.7 Ų | 116.7 | 59% | 0.587 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.9 | -34.6 | 176.7 | -52.9 | 0 | 0 | 0 | 0 | 112.5 | L261 S265 A266 | L261-S263 VanDerWaalsContact C-N 3.32Å; L261-S263 PolarHBondContact O-N 3.47Å; S263-S265 PolarHBondContact O-N 2.8Å; S263-A266 PolarHBondContact O-N 3.02Å |
| 264 | Q | 49.6 | Very low | 50.1 | Low | 125 Ų | 125 | 118.8 Ų | 118.8 | 58% | 0.584 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -78 | -21.3 | -173.1 | -146.1 | 166.1 | 101 | 0 | 0 | 112.9 | L261 A262 A266 I268 | L261-Q264 PolarHBondContact O-N 3.24Å; A262-Q264 VanDerWaalsContact C-N 3.32Å; A262-Q264 PolarHBondContact O-N 3.32Å; Q264-A266 VanDerWaalsContact C-N 3.33Å; Q264-I268 WeakPolarHBondContact O-CD1 3.43Å |
| 265 | S | 46.6 | Very low | 49.7 | Very low | 83 Ų | 83 | 123.3 Ų | 123.3 | 58% | 0.58 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -76 | -15.2 | 170.3 | 40.7 | 0 | 0 | 0 | 0 | 114.6 | L261 A262 S263 | L261-S265 PolarHBondContact O-N 3.01Å; A262-S265 PolarHBondContact O-OG 2.97Å; S263-S265 PolarHBondContact O-N 2.8Å |
| 266 | A | 46.8 | Very low | 49.3 | Very low | 59 Ų | 59 | 124.7 Ų | 124.7 | 49% | 0.488 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -83.2 | -36.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S263 Q264 | S263-A266 PolarHBondContact O-N 3.02Å; Q264-A266 VanDerWaalsContact C-N 3.33Å |
| 267 | E | 47.8 | Very low | 49.1 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -71.7 | -39.5 | -176.7 | -64.4 | -178.3 | 136.3 | 0 | 0 | 112.3 | L269 W270 | E267-L269 PolarHBondContact O-N 3.38Å; E267-L269 VanDerWaalsContact O-N 3.12Å; E267-W270 PolarHBondContact O-N 3.17Å; E267-W270 VanDerWaalsContact O-N 3.15Å |
| 268 | I | 50.3 | Low | 49 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 63% | 0.631 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -60.2 | -28.5 | -174.8 | -60.4 | 172.2 | 0 | 0 | 0 | 112.7 | Q264 S272 | Q264-I268 WeakPolarHBondContact O-CD1 3.43Å; I268-S272 PolarHBondContact O-OG 2.97Å |
| 269 | L | 47.1 | Very low | 48.6 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -85 | -23 | -178.2 | -167.7 | 61.1 | 0 | 0 | 0 | 113.7 | E267 | E267-L269 PolarHBondContact O-N 3.38Å; E267-L269 VanDerWaalsContact O-N 3.12Å |
| 270 | W | 47 | Very low | 48.4 | Very low | 220 Ų | 220 | 124.1 Ų | 124.1 | 83% | 0.833 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -77.6 | -39.6 | 178.8 | -87.2 | 77.3 | 0 | 0 | 0 | 112.4 | E267 S272 H273 | E267-W270 PolarHBondContact O-N 3.17Å; E267-W270 VanDerWaalsContact O-N 3.15Å; W270-S272 PolarHBondContact O-N 3.44Å; W270-S272 VanDerWaalsContact O-N 3.17Å; W270-H273 PolarHBondContact O-N 2.79Å |
| 271 | D | 46.6 | Very low | 48.2 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -66.4 | -16.4 | 179.5 | -117.9 | 24.9 | 0 | 0 | 0 | 113.2 | H273 | D271-H273 VanDerWaalsContact C-N 3.31Å; D271-H273 PolarHBondContact O-N 2.95Å |
| 272 | S | 50.1 | Low | 48 | Very low | 97 Ų | 97 | 127.5 Ų | 127.5 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -82.7 | 1 | 177.9 | -61.3 | 0 | 0 | 0 | 0 | 114.5 | I268 W270 | I268-S272 PolarHBondContact O-OG 2.97Å; W270-S272 PolarHBondContact O-N 3.44Å; W270-S272 VanDerWaalsContact O-N 3.17Å |
| 273 | H | 49.2 | Very low | 47.9 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 78% | 0.782 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -121.6 | 16.1 | -176.9 | -153.9 | -56.3 | 0 | 0 | 0 | 113.5 | W270 D271 | W270-H273 PolarHBondContact O-N 2.79Å; D271-H273 VanDerWaalsContact C-N 3.31Å; D271-H273 PolarHBondContact O-N 2.95Å |
| 274 | L | 49.9 | Very low | 47.9 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 88% | 0.88 | 75% | 0.749 | S | S | * | * | | | trans | -138.1 | 30.6 | -179.5 | -149.3 | 71.7 | 0 | 0 | 0 | 114.3 | | |
| 275 | A | 44.1 | Very low | 47.8 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 100% | 1.364 | 76% | 0.764 | S | S | * | * | | | trans | -124.9 | 0 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |