| 1 | M | 47.1 | Very low | 37.8 | Very low | 242 Ų | 242 | 143.6 Ų | 143.6 | 100% | 1.192 | 85% | 0.847 | S | S | * | * | | | | 0 | 133.1 | 0 | -82.7 | 168.3 | 153.4 | 0 | 0 | 107.7 | | |
| 2 | G | 49.2 | Very low | 37.7 | Very low | 82 Ų | 82 | 143.2 Ų | 143.2 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | | | trans | 59.7 | 90.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 3 | T | 33.8 | Very low | 37.6 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 81% | 0.81 | 84% | 0.84 | S | S | * | * | | | trans | -146.1 | 152 | 170.4 | 48.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 4 | M | 37.7 | Very low | 37.2 | Very low | 185 Ų | 185 | 139.6 Ų | 139.6 | 91% | 0.911 | 84% | 0.835 | S | S | * | * | | | trans | 91.9 | 130.9 | 159.9 | -49.8 | -148.5 | 124.8 | 0 | 0 | 119.6 | | |
| 5 | E | 33.7 | Very low | 37.3 | Very low | 194 Ų | 194 | 141.3 Ų | 141.3 | 91% | 0.907 | 84% | 0.836 | S | S | * | * | | | trans | -76.2 | 163.3 | 160.8 | -57.6 | 161.5 | 100.7 | 0 | 0 | 110.5 | | |
| 6 | S | 40.7 | Very low | 36.8 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | | | trans | -158.2 | 149.6 | 151.6 | -168.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 7 | V | 33.6 | Very low | 36.7 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 86% | 0.855 | 84% | 0.839 | S | S | * | * | | | trans | -122.4 | 125.7 | 176.4 | 173.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 8 | A | 35.8 | Very low | 36.4 | Very low | 85 Ų | 85 | 146.9 Ų | 146.9 | 70% | 0.702 | 83% | 0.831 | S | S | * | * | | | trans | -163.4 | 137.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 9 | H | 33 | Very low | 36.3 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | | | trans | -14.3 | 151.6 | 152.5 | -44.1 | -82.7 | 0 | 0 | 0 | 117.6 | | |
| 10 | S | 34.7 | Very low | 36.1 | Very low | 104 Ų | 104 | 147.5 Ų | 147.5 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | | | | 175.9 | 146.9 | 51.9 | -135.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 11 | V | 36.8 | Very low | 36 | Very low | 119 Ų | 119 | 146.2 Ų | 146.2 | 72% | 0.721 | 83% | 0.832 | S | S | * | * | | | trans | 32.2 | 135.2 | 156.3 | -81.9 | 0 | 0 | 0 | 0 | 125.8 | | |
| 12 | N | 35.9 | Very low | 35.6 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | | | trans | 101.4 | 142.1 | 132.8 | -77 | -3.5 | 0 | 0 | 0 | 122.5 | | |
| 13 | N | 37.5 | Very low | 34.8 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | 65.3 | 122.5 | 171.2 | -54.3 | -13.3 | 0 | 0 | 0 | 116.1 | | |
| 14 | G | 31.2 | Very low | 34.8 | Very low | 75 Ų | 75 | 144.1 Ų | 144.1 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | | | cis | 128.1 | 99.9 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 15 | I | 38.2 | Very low | 34.3 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -134.4 | 147.8 | 173.8 | -69.1 | -176.3 | 0 | 0 | 0 | 109.6 | | |
| 16 | Y | 29.3 | Very low | 34.2 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | | | trans | -71.2 | 144.8 | -174.1 | -75.1 | -123.3 | 0 | 0 | 0 | 112.8 | T18 | Y16-T18 HydrophobicContact CD1-CG2 4.05Š|
| 17 | F | 35.6 | Very low | 33.6 | Very low | 217 Ų | 217 | 144.5 Ų | 144.5 | 95% | 0.952 | 78% | 0.782 | S | S | * | * | | | trans | -134.3 | 113.1 | 142.4 | -93.8 | -79.8 | 0 | 0 | 0 | 109 | | |
| 18 | T | 31.1 | Very low | 33.6 | Very low | 113 Ų | 113 | 145 Ų | 145 | 69% | 0.693 | 78% | 0.779 | S | S | * | * | | | trans | -117.5 | 108.9 | 176.9 | 47.5 | 0 | 0 | 0 | 0 | 108.9 | Y16 | Y16-T18 HydrophobicContact CD1-CG2 4.05Š|
| 19 | E | 35.1 | Very low | 33.3 | Very low | 198 Ų | 198 | 146.7 Ų | 146.7 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | | | trans | -154.3 | 147.7 | 148.4 | -124.8 | 174.6 | 160.3 | 0 | 0 | 112.7 | | |
| 20 | S | 32.1 | Very low | 33.5 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -79.3 | 144.1 | -169.4 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 21 | S | 33.8 | Very low | 33.3 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | -130.3 | 102.2 | 157.2 | -159.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 22 | P | 38.1 | Very low | 33.6 | Very low | 107 Ų | 107 | 148.3 Ų | 148.3 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | | | trans | -80 | 147 | -176.3 | 31.4 | -34 | 0 | 0 | 0 | 112.3 | V24 | P22-V24 PolarHBondContact O-N 2.83Š|
| 23 | H | 32.6 | Very low | 33.5 | Very low | 158 Ų | 158 | 150 Ų | 150 | 73% | 0.731 | 80% | 0.795 | S | S | * | * | | | trans | -63.8 | 125.8 | 177.2 | -69.3 | -87.3 | 0 | 0 | 0 | 112.3 | Y25 | H23-Y25 VanDerWaalsContact C-N 3.29Å; H23-Y25 HydrophobicContact CB-CD2 3.55Å; H23-Y25 HydrophobicContact CB-CE2 3.51Å; H23-Y25 AromaticContact CG-CE2 3.92Å; H23-Y25 PolarHBondContact O-N 3.45Å |
| 24 | V | 34.3 | Very low | 33.5 | Very low | 146 Ų | 146 | 149.7 Ų | 149.7 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | | | trans | -77.6 | 79.5 | 169.5 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | P22 | P22-V24 PolarHBondContact O-N 2.83Š|
| 25 | Y | 28 | Very low | 33.6 | Very low | 166 Ų | 166 | 153.3 Ų | 153.3 | 65% | 0.651 | 79% | 0.794 | S | S | * | * | | | trans | -81.1 | 109.3 | 164 | -77.5 | -82.8 | 0 | 0 | 0 | 109.5 | H23 F27 | H23-Y25 VanDerWaalsContact C-N 3.29Å; H23-Y25 HydrophobicContact CB-CD2 3.55Å; H23-Y25 HydrophobicContact CB-CE2 3.51Å; H23-Y25 AromaticContact CG-CE2 3.92Å; H23-Y25 PolarHBondContact O-N 3.45Å; Y25-F27 HydrophobicContact CG-CE2 4.25Å; Y25-F27 PolarHBondContact O-N 3.1Å; Y25-F27 VanDerWaalsContact O-N 3.1Å |
| 26 | K | 31.7 | Very low | 33.3 | Very low | 183 Ų | 183 | 151.2 Ų | 151.2 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | | | trans | -83.2 | 81.4 | 172.6 | -169.1 | 175.8 | -178.1 | 175.8 | 0 | 110.7 | | |
| 27 | F | 27.2 | Very low | 33.3 | Very low | 157 Ų | 157 | 149.9 Ų | 149.9 | 69% | 0.689 | 80% | 0.8 | S | S | * | * | | | trans | -62.5 | 143.4 | 163.5 | -67.7 | -86.7 | 0 | 0 | 0 | 110.1 | Y25 | Y25-F27 HydrophobicContact CG-CE2 4.25Å; Y25-F27 PolarHBondContact O-N 3.1Å; Y25-F27 VanDerWaalsContact O-N 3.1Å |
| 28 | I | 32.9 | Very low | 33.2 | Very low | 151 Ų | 151 | 145.4 Ų | 145.4 | 77% | 0.774 | 80% | 0.796 | S | S | * | * | | | trans | -120.5 | 94.6 | 166.9 | -59.7 | 179.6 | 0 | 0 | 0 | 106.3 | | |
| 29 | T | 29.4 | Very low | 33.2 | Very low | 121 Ų | 121 | 143 Ų | 143 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | trans | -137.8 | 83.7 | 179.4 | 49.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 30 | E | 37.4 | Very low | 33.1 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | | | trans | -125 | 103 | 164 | -77.1 | -171.6 | 141.6 | 0 | 0 | 108.8 | | |
| 31 | C | 31.8 | Very low | 33.1 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | trans | -111.3 | 149 | 147.7 | -61.1 | 0 | 0 | 0 | 0 | 106.2 | | |
| 32 | P | 42.2 | Very low | 33 | Very low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | | -129.3 | 134.6 | 118.3 | 34.4 | -28.8 | 0 | 0 | 0 | 111.8 | | |
| 33 | E | 34.3 | Very low | 32.7 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | | | trans | -66.6 | 145.4 | 161.6 | -57.9 | 177.9 | 160.4 | 0 | 0 | 109.4 | | |
| 34 | N | 37.3 | Very low | 32.5 | Very low | 156 Ų | 156 | 145 Ų | 145 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | trans | -152.4 | 137.9 | 154.2 | -100.5 | -68.3 | 0 | 0 | 0 | 109.2 | | |
| 35 | L | 32.4 | Very low | 32.3 | Very low | 151 Ų | 151 | 148.1 Ų | 148.1 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | -94.1 | 150.2 | -168 | -62.3 | 75.9 | 0 | 0 | 0 | 111.7 | | |
| 36 | S | 33.9 | Very low | 32.2 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | | 179.3 | 149.4 | 119.8 | 37.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 37 | N | 29 | Very low | 32.4 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | trans | -106.4 | 139.6 | -177.9 | -69.8 | -25.4 | 0 | 0 | 0 | 112.3 | | |
| 38 | S | 32.2 | Very low | 32.6 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | -178.5 | 140.5 | 139.1 | 41.6 | 0 | 0 | 0 | 0 | 107 | | |
| 39 | G | 31.5 | Very low | 32.9 | Very low | 62 Ų | 62 | 140.3 Ų | 140.3 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | | | | 97.1 | 126.2 | 63.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 40 | D | 34.2 | Very low | 33.1 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | | | cis | -159.3 | 164.4 | 11.8 | -91.6 | -46.7 | 0 | 0 | 0 | 112.3 | | |
| 41 | N | 32.1 | Very low | 33.2 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | 29.8 | 139.6 | 138.3 | -53.6 | -41.3 | 0 | 0 | 0 | 120.3 | | |
| 42 | S | 30.8 | Very low | 33.3 | Very low | 78 Ų | 78 | 143 Ų | 143 | 55% | 0.545 | 80% | 0.797 | S | S | . | * | | | cis | -158.6 | -178.8 | 6.6 | 55 | 0 | 0 | 0 | 0 | 109.1 | | |
| 43 | Y | 31.9 | Very low | 32.9 | Very low | 222 Ų | 222 | 142.2 Ų | 142.2 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | | | | -163.8 | 158.7 | 74.3 | -84.2 | -80.7 | 0 | 0 | 0 | 111.7 | | |
| 44 | N | 27.8 | Very low | 33 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | trans | -80.8 | 155.2 | -173.8 | -55.2 | -38.5 | 0 | 0 | 0 | 114 | | |
| 45 | F | 30.4 | Very low | 32.8 | Very low | 211 Ų | 211 | 143.8 Ų | 143.8 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | | | trans | -148.4 | 131.5 | 130.8 | -122.8 | -78.5 | 0 | 0 | 0 | 111 | | |
| 46 | T | 26.5 | Very low | 32.8 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 64% | 0.638 | 79% | 0.789 | S | S | * | * | | | trans | -85.9 | 145.7 | -173.7 | 2.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 47 | S | 35.8 | Very low | 32.7 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | trans | -167.7 | 116.4 | 154.5 | -76.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 48 | D | 31.3 | Very low | 33 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | trans | -89.5 | 141.2 | -164.5 | -44 | -85.5 | 0 | 0 | 0 | 113.2 | | |
| 49 | S | 39 | Very low | 32.9 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 88% | 0.881 | 78% | 0.775 | S | S | * | * | | | trans | -167.4 | 109.8 | 157.1 | -72.1 | 0 | 0 | 0 | 0 | 109 | | |
| 50 | E | 34.4 | Very low | 33 | Very low | 186 Ų | 186 | 141.2 Ų | 141.2 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | | | trans | -77.4 | 142.9 | 172.8 | -64.8 | 165.4 | 105.9 | 0 | 0 | 110.8 | | |
| 51 | L | 37.7 | Very low | 33 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | | | | -177.2 | 138.1 | 108.1 | -95.7 | 166.1 | 0 | 0 | 0 | 113 | | |
| 52 | D | 34.8 | Very low | 32.8 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | | | trans | 53.3 | 127.1 | 159.4 | -62.9 | -17.8 | 0 | 0 | 0 | 122.8 | | |
| 53 | S | 33.5 | Very low | 32.9 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -99.8 | 149.8 | 178.3 | 64.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 54 | Q | 35.8 | Very low | 32.8 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | | -177.3 | 117.9 | 109 | -97.7 | -171.2 | 57.6 | 0 | 0 | 110.3 | | |
| 55 | L | 33.8 | Very low | 33.3 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 95% | 0.948 | 78% | 0.78 | S | S | * | * | | | trans | -112.9 | 96.6 | 168.8 | -134.3 | 81.6 | 0 | 0 | 0 | 109.2 | | |
| 56 | G | 32.9 | Very low | 33.2 | Very low | 52 Ų | 52 | 134.6 Ų | 134.6 | 54% | 0.536 | 76% | 0.76 | S | S | . | * | | | trans | -69.3 | 140.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | N58 | G56-N58 PolarHBondContact O-N 2.8Å; G56-N58 VanDerWaalsContact O-N 3.14Å; G56-N58 PolarHBondContact O-ND2 2.96Å |
| 57 | N | 32.3 | Very low | 33.5 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | | | trans | -65.7 | 110 | -176.4 | -63.8 | -44 | 0 | 0 | 0 | 111.9 | S59 | N57-S59 PolarHBondContact O-N 2.99Š|
| 58 | N | 34.3 | Very low | 33.4 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 57% | 0.572 | 75% | 0.753 | S | S | * | * | | | trans | -89.8 | 86.8 | 177.7 | -78.9 | -120.7 | 0 | 0 | 0 | 110.4 | G56 V60 R175 | G56-N58 PolarHBondContact O-N 2.8Å; G56-N58 VanDerWaalsContact O-N 3.14Å; G56-N58 PolarHBondContact O-ND2 2.96Å; N58-V60 PolarHBondContact O-N 3.19Å; N58-R175 PolarHBondContact OD1-NH1 3.16Å; N58-R175 PolarHBondContact OD1-NH2 3.2Å |
| 59 | S | 31.2 | Very low | 33.4 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | | | trans | -74.6 | 117.2 | 170.9 | -170 | 0 | 0 | 0 | 0 | 110.5 | N57 Q61 | N57-S59 PolarHBondContact O-N 2.99Å; S59-Q61 PolarHBondContact O-N 2.94Å |
| 60 | V | 32.2 | Very low | 33.5 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 76% | 0.758 | 74% | 0.739 | S | S | * | * | | | trans | -86.9 | 89.3 | -179.9 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | N58 L62 | N58-V60 PolarHBondContact O-N 3.19Å; V60-L62 PolarHBondContact O-N 3.34Å |
| 61 | Q | 34.9 | Very low | 33.3 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | trans | -78.9 | 110.4 | 179.7 | -161.9 | 169.1 | 16.2 | 0 | 0 | 110.7 | S59 I63 | S59-Q61 PolarHBondContact O-N 2.94Å; Q61-I63 PolarHBondContact O-N 2.85Å |
| 62 | L | 27.4 | Very low | 33.5 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | | | trans | -73.5 | 95.8 | 175.7 | -70.1 | 172.7 | 0 | 0 | 0 | 110.2 | V60 N64 | V60-L62 PolarHBondContact O-N 3.34Å; L62-N64 PolarHBondContact O-N 3.03Å |
| 63 | I | 33.5 | Very low | 33.3 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | | | trans | -70.5 | 102.5 | 175.4 | -56.1 | 178.2 | 0 | 0 | 0 | 109.2 | Q61 I65 | Q61-I63 PolarHBondContact O-N 2.85Å; I63-I65 HydrophobicContact CG2-CG1 4.17Å; I63-I65 PolarHBondContact O-N 3.17Å |
| 64 | N | 30.2 | Very low | 33.4 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 69% | 0.69 | 74% | 0.738 | S | S | * | * | | | trans | -78.8 | 107.6 | 172.6 | -170.1 | 23.1 | 0 | 0 | 0 | 109.2 | L62 S66 | L62-N64 PolarHBondContact O-N 3.03Å; N64-S66 PolarHBondContact ND2-OG 3.11Å; N64-S66 PolarHBondContact O-N 2.75Å |
| 65 | I | 37 | Very low | 33.5 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | | | trans | -82.8 | 68.3 | -175.7 | -47.8 | 179.2 | 0 | 0 | 0 | 110.5 | I63 V68 | I63-I65 HydrophobicContact CG2-CG1 4.17Å; I63-I65 PolarHBondContact O-N 3.17Å; I65-V68 HydrophobicContact CG2-CG2 3.76Å |
| 66 | S | 29.3 | Very low | 33.6 | Very low | 71 Ų | 71 | 129.4 Ų | 129.4 | 50% | 0.497 | 72% | 0.721 | S | S | . | * | | | trans | -122.4 | 139.2 | 161.6 | 51.5 | 0 | 0 | 0 | 0 | 107.2 | N64 | N64-S66 PolarHBondContact ND2-OG 3.11Å; N64-S66 PolarHBondContact O-N 2.75Å |
| 67 | E | 32 | Very low | 33.9 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | | | trans | 69.6 | 72.1 | -171.9 | -55.8 | 177.3 | -156.9 | 0 | 0 | 114.2 | | |
| 68 | V | 34.4 | Very low | 34.4 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 57% | 0.57 | 73% | 0.725 | S | S | * | * | | | trans | -105.3 | 82.2 | 157.6 | -158.8 | 0 | 0 | 0 | 0 | 107.7 | I65 D70 | I65-V68 HydrophobicContact CG2-CG2 3.76Å; V68-D70 VanDerWaalsContact C-N 3.27Å; V68-D70 VanDerWaalsContact CG1-OD2 3.32Å; V68-D70 WeakPolarHBondContact CG1-OD2 3.31Å; V68-D70 PolarHBondContact O-N 3.02Å; V68-D70 VanDerWaalsContact O-N 3.12Å |
| 69 | N | 30.6 | Very low | 35.1 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | | | trans | -86.2 | 61.6 | -176.1 | -67.8 | -29.2 | 0 | 0 | 0 | 111.3 | D71 | N69-D71 PolarHBondContact O-N 2.76Š|
| 70 | D | 41.9 | Very low | 35.3 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | | | trans | -88.5 | 80.1 | -179.6 | -70.9 | -27.3 | 0 | 0 | 0 | 111.9 | V68 T72 | V68-D70 VanDerWaalsContact C-N 3.27Å; V68-D70 VanDerWaalsContact CG1-OD2 3.32Å; V68-D70 WeakPolarHBondContact CG1-OD2 3.31Å; V68-D70 PolarHBondContact O-N 3.02Å; V68-D70 VanDerWaalsContact O-N 3.12Å; D70-T72 HydrophobicContact CB-CG2 4.46Å; D70-T72 PolarHBondContact O-N 2.84Å |
| 71 | D | 30.2 | Very low | 35.7 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 90% | 0.898 | 73% | 0.731 | S | S | * | * | | | trans | -73.6 | 61.7 | 163 | -85.6 | -44 | 0 | 0 | 0 | 110.8 | N69 | N69-D71 PolarHBondContact O-N 2.76Š|
| 72 | T | 41.9 | Very low | 35.9 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 69% | 0.693 | 73% | 0.733 | S | S | * | * | | | trans | -102 | 83.4 | 176.3 | 61.3 | 0 | 0 | 0 | 0 | 111.1 | D70 F74 | D70-T72 HydrophobicContact CB-CG2 4.46Å; D70-T72 PolarHBondContact O-N 2.84Å; T72-F74 PolarHBondContact O-N 3.02Å |
| 73 | S | 30.4 | Very low | 36.7 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | | | trans | -68.3 | 112 | 160.2 | 46 | 0 | 0 | 0 | 0 | 109.5 | | |
| 74 | F | 36.1 | Very low | 37.2 | Very low | 176 Ų | 176 | 136.3 Ų | 136.3 | 77% | 0.772 | 75% | 0.745 | S | S | * | * | | | trans | -123.1 | 123 | 166.3 | -161.2 | -91.5 | 0 | 0 | 0 | 110.5 | T72 I77 | T72-F74 PolarHBondContact O-N 3.02Å; F74-I77 HydrophobicContact CE1-CD1 4.45Å |
| 75 | T | 38.2 | Very low | 37.9 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 61% | 0.613 | 75% | 0.754 | S | S | * | * | | | trans | -92.3 | 142.7 | -174.9 | 44.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 76 | D | 34.1 | Very low | 38 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | 48.3 | 82.3 | 145 | -54.1 | -39.6 | 0 | 0 | 0 | 119.3 | | |
| 77 | I | 39.5 | Very low | 38.3 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -131.9 | 121.4 | 145.4 | -55.7 | -179.2 | 0 | 0 | 0 | 108.8 | F74 | F74-I77 HydrophobicContact CE1-CD1 4.45Š|
| 78 | H | 42.6 | Very low | 38.8 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | | | trans | -123.3 | 111.8 | -176.7 | 171.6 | -73.2 | 0 | 0 | 0 | 111.7 | | |
| 79 | P | 49.2 | Very low | 38.8 | Very low | 109 Ų | 109 | 144 Ų | 144 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | | | trans | -83.9 | 130.6 | 168.9 | 32.2 | -31.1 | 0 | 0 | 0 | 111.2 | | |
| 80 | P | 36.7 | Very low | 39.6 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | | | trans | -77.2 | 128.1 | 179.2 | 30.7 | -33.6 | 0 | 0 | 0 | 112.2 | | |
| 81 | G | 39 | Very low | 39.7 | Very low | 76 Ų | 76 | 146.1 Ų | 146.1 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | | | trans | -147.3 | 98.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 82 | S | 40.5 | Very low | 40.3 | Very low | 121 Ų | 121 | 141 Ų | 141 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -76.3 | 124.3 | -170.4 | -54.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 83 | K | 43.7 | Very low | 40.6 | Very low | 207 Ų | 207 | 142.9 Ų | 142.9 | 90% | 0.9 | 78% | 0.78 | S | S | * | * | | | trans | -137.8 | 80.6 | 151.7 | -71.5 | -165.9 | 178.4 | 180 | 0 | 111.4 | R85 | K83-R85 PolarHBondContact O-N 2.98Š|
| 84 | R | 43.1 | Very low | 41.4 | Very low | 239 Ų | 239 | 143.7 Ų | 143.7 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 119.7 | 162.4 | -78.4 | 178.9 | 170.4 | 155.4 | -4 | 108.2 | | |
| 85 | R | 45.4 | Very low | 41.8 | Very low | 234 Ų | 234 | 141.9 Ų | 141.9 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 116.3 | 162.2 | -108.9 | -174.6 | 174.9 | -177.7 | -1.7 | 107.9 | K83 | K83-R85 PolarHBondContact O-N 2.98Š|
| 86 | L | 38.8 | Very low | 42.5 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 134.5 | 164.2 | -112.2 | 68.5 | 0 | 0 | 0 | 108.9 | T88 | L86-T88 PolarHBondContact O-N 3.5Š|
| 87 | C | 35.6 | Very low | 43.1 | Very low | 126 Ų | 126 | 144 Ų | 144 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -86 | 89.7 | 166.4 | 40.9 | 0 | 0 | 0 | 0 | 109.1 | N89 | C87-N89 PolarHBondContact O-N 3.21Š|
| 88 | T | 43.2 | Very low | 43.3 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | | | trans | -73.8 | 91.7 | 171.8 | 49.5 | 0 | 0 | 0 | 0 | 109.8 | L86 I90 | L86-T88 PolarHBondContact O-N 3.5Å; T88-I90 PolarHBondContact O-N 3.5Å |
| 89 | N | 35 | Very low | 43.7 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | trans | -77.6 | 102.9 | 170.9 | -170.1 | 13.9 | 0 | 0 | 0 | 108.9 | C87 | C87-N89 PolarHBondContact O-N 3.21Š|
| 90 | I | 46.9 | Very low | 43.2 | Very low | 137 Ų | 137 | 148 Ų | 148 | 70% | 0.703 | 80% | 0.798 | S | S | * | * | | | trans | -125.1 | 60 | -179.7 | -45.4 | -179.2 | 0 | 0 | 0 | 109.6 | T88 | T88-I90 PolarHBondContact O-N 3.5Š|
| 91 | N | 44.7 | Very low | 43.7 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | | | trans | -99.5 | 120.9 | 145 | -70 | -11.6 | 0 | 0 | 0 | 105.7 | | |
| 92 | G | 42.7 | Very low | 43.8 | Very low | 61 Ų | 61 | 148.6 Ų | 148.6 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | | | cis | 139.4 | 18.8 | 11.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 93 | I | 47.3 | Very low | 44.4 | Very low | 152 Ų | 152 | 152 Ų | 152 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | trans | 40.9 | 85.8 | 165.2 | -47 | 178.3 | 0 | 0 | 0 | 114.7 | | |
| 94 | T | 47.3 | Very low | 44.8 | Very low | 138 Ų | 138 | 147.8 Ų | 147.8 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | | | trans | -129.5 | 109.3 | 143.8 | 54.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 95 | D | 43.8 | Very low | 45.1 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | | | trans | -64 | 179.5 | 167.1 | -65 | -73.3 | 0 | 0 | 0 | 111.4 | | |
| 96 | I | 52.7 | Low | 45.5 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | | | trans | 102.2 | 125.7 | 169.8 | -56.3 | 160.6 | 0 | 0 | 0 | 115 | | |
| 97 | I | 47.2 | Very low | 46.1 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | | | trans | 73 | 79.4 | 174.3 | -59.2 | 153.5 | 0 | 0 | 0 | 116.8 | Q99 | I97-Q99 PolarHBondContact O-N 3.21Š|
| 98 | T | 44.4 | Very low | 47 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | | 24.2 | 88.9 | 113.4 | -40.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 99 | Q | 50.6 | Low | 47.8 | Very low | 179 Ų | 179 | 141.3 Ų | 141.3 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | | | trans | -163 | 134.9 | 134.1 | -111 | 153 | 104.5 | 0 | 0 | 110 | I97 P101 | I97-Q99 PolarHBondContact O-N 3.21Å; Q99-P101 WeakPolarHBondContact O-CD 3.24Å |
| 100 | Q | 39.1 | Very low | 49.2 | Very low | 198 Ų | 198 | 141 Ų | 141 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | | | trans | -96 | 125.8 | 177.7 | -68.8 | -179.8 | -8.7 | 0 | 0 | 110.8 | | |
| 101 | P | 45.9 | Very low | 50.7 | Low | 98 Ų | 98 | 141.5 Ų | 141.5 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | | | trans | -99.7 | 132.6 | 145.5 | -3.4 | 23.2 | 0 | 0 | 0 | 109.1 | Q99 F103 | Q99-P101 WeakPolarHBondContact O-CD 3.24Å; P101-F103 PolarHBondContact O-N 3.26Å; P101-F103 VanDerWaalsContact O-N 3.14Å |
| 102 | S | 41.5 | Very low | 52.6 | Low | 112 Ų | 112 | 143.3 Ų | 143.3 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | trans | -71.2 | 103.8 | 175.8 | 53.2 | 0 | 0 | 0 | 0 | 111.1 | T104 | S102-T104 PolarHBondContact O-N 3.15Š|
| 103 | F | 53.1 | Low | 54.8 | Low | 193 Ų | 193 | 149 Ų | 149 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | trans | -76.9 | 101.5 | 167.4 | -77.2 | -87.5 | 0 | 0 | 0 | 109.8 | P101 | P101-F103 PolarHBondContact O-N 3.26Å; P101-F103 VanDerWaalsContact O-N 3.14Å |
| 104 | T | 53.3 | Low | 57 | Low | 117 Ų | 117 | 146.8 Ų | 146.8 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | | | trans | -69.8 | 138.5 | 170.4 | 45.6 | 0 | 0 | 0 | 0 | 110.8 | S102 E106 | S102-T104 PolarHBondContact O-N 3.15Å; T104-E106 PolarHBondContact O-N 2.94Å |
| 105 | D | 49 | Very low | 59.1 | Low | 110 Ų | 110 | 149.1 Ų | 149.1 | 59% | 0.588 | 77% | 0.772 | S | S | * | * | | | trans | -89.6 | 61.1 | -157.1 | -156.1 | 2.6 | 0 | 0 | 0 | 113.7 | R107 | D105-R107 PolarHBondContact O-N 3.27Å; D105-R107 WeakPolarHBondContact OD1-CG 3.36Å; D105-R107 IonicContact OD1-CZ 2.59Å; D105-R107 IonicContact OD1-NE 3.39Å; D105-R107 PolarHBondContact OD1-NE 2.91Å; D105-R107 IonicContact OD1-NH2 3.46Å; D105-R107 PolarHBondContact OD1-NH2 2.99Å; D105-R107 IonicContact OD2-CZ 3.66Å; D105-R107 IonicContact OD2-NE 2.68Å; D105-R107 IonicContact OD2-NH2 3.51Å; D105-R107 PolarHBondContact OD2-NH2 3.22Å |
| 106 | E | 53.4 | Low | 61.5 | Low | 171 Ų | 171 | 145.1 Ų | 145.1 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | | | trans | -71.4 | 57.2 | -179.5 | -79.3 | -66.4 | 135.2 | 0 | 0 | 113.4 | T104 N108 | T104-E106 PolarHBondContact O-N 2.94Å; E106-N108 PolarHBondContact O-N 3.14Å |
| 107 | R | 51.4 | Low | 63.4 | Low | 196 Ų | 196 | 147.8 Ų | 147.8 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | | | trans | -89 | 56.5 | 178.4 | -77.4 | -170.2 | -79.8 | 164.1 | -7 | 113 | D105 | D105-R107 PolarHBondContact O-N 3.27Å; D105-R107 WeakPolarHBondContact OD1-CG 3.36Å; D105-R107 IonicContact OD1-CZ 2.59Å; D105-R107 IonicContact OD1-NE 3.39Å; D105-R107 PolarHBondContact OD1-NE 2.91Å; D105-R107 IonicContact OD1-NH2 3.46Å; D105-R107 PolarHBondContact OD1-NH2 2.99Å; D105-R107 IonicContact OD2-CZ 3.66Å; D105-R107 IonicContact OD2-NE 2.68Å; D105-R107 IonicContact OD2-NH2 3.51Å; D105-R107 PolarHBondContact OD2-NH2 3.22Å |
| 108 | N | 55.2 | Low | 65.8 | Low | 160 Ų | 160 | 147.1 Ų | 147.1 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | | | trans | -143.8 | 36.7 | -176.6 | -101.8 | -36.9 | 0 | 0 | 0 | 118.3 | E106 | E106-N108 PolarHBondContact O-N 3.14Š|
| 109 | S | 59.6 | Low | 68.2 | Low | 81 Ų | 81 | 151 Ų | 151 | 57% | 0.566 | 77% | 0.768 | S | S | * | * | | | trans | -134.8 | 115.2 | 153.6 | 77.5 | 0 | 0 | 0 | 0 | 112.4 | E111 | S109-E111 WeakPolarHBondContact CB-OE1 2.83Å; S109-E111 PolarHBondContact O-N 2.86Å; S109-E111 VanDerWaalsContact O-N 3.13Å; S109-E111 PolarHBondContact OG-OE1 3.48Å |
| 110 | C | 63.5 | Low | 70.4 | Confident | 136 Ų | 136 | 146.2 Ų | 146.2 | 92% | 0.919 | 75% | 0.748 | S | S | * | * | | | trans | -87.2 | 62.4 | 170.6 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | K112 | C110-K112 PolarHBondContact O-N 3.47Š|
| 111 | E | 78.3 | Confident | 73.2 | Confident | 149 Ų | 149 | 140.4 Ų | 140.4 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | | | trans | -63.6 | 133.8 | -176.8 | -78.9 | 171.8 | -129.5 | 0 | 0 | 112.1 | S109 L113 | S109-E111 WeakPolarHBondContact CB-OE1 2.83Å; S109-E111 PolarHBondContact O-N 2.86Å; S109-E111 VanDerWaalsContact O-N 3.13Å; S109-E111 PolarHBondContact OG-OE1 3.48Å; E111-L113 PolarHBondContact O-N 2.85Å; E111-L113 VanDerWaalsContact O-N 3.13Å |
| 112 | K | 84.9 | Confident | 75.6 | Confident | 194 Ų | 194 | 143.2 Ų | 143.2 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | | | trans | -69.2 | 112.7 | -179.3 | -67.1 | 177.6 | -178.6 | 174.4 | 0 | 108.9 | C110 T114 | C110-K112 PolarHBondContact O-N 3.47Å; K112-T114 PolarHBondContact O-N 3.41Å |
| 113 | L | 90 | Very high | 78.3 | Confident | 179 Ų | 179 | 144.4 Ų | 144.4 | 94% | 0.937 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -49.5 | -20.7 | -178.7 | -58.9 | 178.3 | 0 | 0 | 0 | 115.1 | E111 | E111-L113 PolarHBondContact O-N 2.85Å; E111-L113 VanDerWaalsContact O-N 3.13Å |
| 114 | T | 92.2 | Very high | 80.4 | Confident | 107 Ų | 107 | 142.4 Ų | 142.4 | 66% | 0.656 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -139.8 | 157.4 | 169.6 | 74.8 | 0 | 0 | 0 | 0 | 111 | K112 G116 | K112-T114 PolarHBondContact O-N 3.41Å; T114-G116 PolarHBondContact O-N 3.33Å; T114-G116 VanDerWaalsContact O-N 3.16Å; T114-G116 PolarHBondContact OG1-N 3.33Å |
| 115 | K | 92.2 | Very high | 82.6 | Confident | 187 Ų | 187 | 138.8 Ų | 138.8 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | | | trans | -71.6 | 3.5 | 171.8 | -58.4 | -174.6 | 179.4 | -175.2 | 0 | 113.8 | Q118 | K115-Q118 PolarHBondContact O-NE2 3.27Š|
| 116 | G | 94.1 | Very high | 84.9 | Confident | 53 Ų | 53 | 138.6 Ų | 138.6 | 55% | 0.546 | 70% | 0.703 | S | S | . | * | | | trans | 65.2 | -164.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T114 Q118 | T114-G116 PolarHBondContact O-N 3.33Å; T114-G116 VanDerWaalsContact O-N 3.16Å; T114-G116 PolarHBondContact OG1-N 3.33Å; G116-Q118 PolarHBondContact O-N 3.2Å |
| 117 | K | 93.5 | Very high | 87 | Confident | 214 Ų | 214 | 133 Ų | 133 | 93% | 0.93 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -72.3 | 120.5 | 176 | -179.7 | -173 | 175 | -170.2 | 0 | 109.7 | | |
| 118 | Q | 95.9 | Very high | 89.2 | Confident | 126 Ų | 126 | 131.1 Ų | 131.1 | 59% | 0.589 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -98 | 148.2 | 177.5 | -65.6 | -64.8 | -49.3 | 0 | 0 | 111.3 | K115 G116 | K115-Q118 PolarHBondContact O-NE2 3.27Å; G116-Q118 PolarHBondContact O-N 3.2Å |
| 119 | K | 96.2 | Very high | 91.2 | Very high | 210 Ų | 210 | 128.8 Ų | 128.8 | 91% | 0.913 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 139.9 | 169.7 | -172.1 | 173 | -179.3 | 175.7 | 0 | 108.7 | | |
| 120 | I | 96.3 | Very high | 93 | Very high | 79 Ų | 79 | 131 Ų | 131 | 41% | 0.405 | 66% | 0.663 | S | S | . | * | | | trans | -131.9 | 149.9 | 174.3 | 59.2 | 173.7 | 0 | 0 | 0 | 109 | I125 | I120-I125 HydrophobicContact CD1-CD1 4.46Š|
| 121 | P | 97.8 | Very high | 94.6 | Very high | 77 Ų | 77 | 126.8 Ų | 126.8 | 50% | 0.5 | 63% | 0.627 | S | S | . | * | | | trans | -61.6 | 156.2 | 173.9 | 25.5 | -34.2 | 0 | 0 | 0 | 111.9 | E123 | P121-E123 VanDerWaalsContact C-N 3.32Å; P121-E123 HydrophobicContact CB-CG 3.94Å; P121-E123 HydrophobicContact CG-CG 3.86Å; P121-E123 WeakPolarHBondContact CG-OE1 3.11Å; P121-E123 PolarHBondContact O-N 3.37Å |
| 122 | I | 97.1 | Very high | 95.5 | Very high | 156 Ų | 156 | 123 Ų | 123 | 80% | 0.8 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -94.8 | 69.5 | 176.1 | -52.8 | -57.2 | 0 | 0 | 0 | 108.3 | | |
| 123 | E | 97.7 | Very high | 96.1 | Very high | 138 Ų | 138 | 116.5 Ų | 116.5 | 65% | 0.645 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -136.8 | 177.7 | -178.3 | 70 | -172.9 | 177.6 | 0 | 0 | 110.7 | P121 I125 | P121-E123 VanDerWaalsContact C-N 3.32Å; P121-E123 HydrophobicContact CB-CG 3.94Å; P121-E123 HydrophobicContact CG-CG 3.86Å; P121-E123 WeakPolarHBondContact CG-OE1 3.11Å; P121-E123 PolarHBondContact O-N 3.37Å; E123-I125 PolarHBondContact O-N 3.23Å |
| 124 | F | 97.5 | Very high | 96.5 | Very high | 150 Ų | 150 | 109.5 Ų | 109.5 | 66% | 0.658 | 55% | 0.551 | S | S | * | * | | | trans | -72.8 | 111 | 175.8 | -178.1 | -101 | 0 | 0 | 0 | 111.4 | S126 | F124-S126 PolarHBondContact O-N 2.52Š|
| 125 | I | 97.9 | Very high | 96.8 | Very high | 41 Ų | 41 | 107 Ų | 107 | 21% | 0.21 | 53% | 0.531 | C | S | . | . | | | trans | -63.3 | 108.6 | 178.5 | -56.8 | 173.7 | 0 | 0 | 0 | 109.5 | I120 E123 D127 K130 R131 T134 | I120-I125 HydrophobicContact CD1-CD1 4.46Å; E123-I125 PolarHBondContact O-N 3.23Å; I125-D127 HydrophobicContact CG2-CB 4.48Å; I125-K130 HydrophobicContact CG2-CB 3.94Å; I125-R131 HydrophobicContact CB-CB 4.21Å; I125-R131 HydrophobicContact CB-CG 4.42Å; I125-R131 HydrophobicContact CG2-CB 4.16Å; I125-R131 VanDerWaalsContact O-CZ 3.25Å; I125-R131 PolarHBondContact O-NE 2.96Å; I125-R131 PolarHBondContact O-NH2 2.97Å; I125-T134 HydrophobicContact CD1-CG2 3.85Å |
| 126 | S | 97.8 | Very high | 97 | Very high | 107 Ų | 107 | 101 Ų | 101 | 75% | 0.748 | 51% | 0.513 | S | S | * | . | | | trans | -65.9 | -37.7 | -178.5 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | F124 R128 R131 | F124-S126 PolarHBondContact O-N 2.52Å; S126-R128 PolarHBondContact O-N 3.02Å; S126-R131 PolarHBondContact O-NH2 2.92Å |
| 127 | D | 97.4 | Very high | 97.1 | Very high | 52 Ų | 52 | 105.7 Ų | 105.7 | 28% | 0.278 | 52% | 0.518 | S | S | . | . | | | trans | -69.5 | 112.2 | 176.2 | 177.6 | -30.8 | 0 | 0 | 0 | 111.6 | I125 T129 K130 R131 | I125-D127 HydrophobicContact CG2-CB 4.48Å; D127-T129 VanDerWaalsContact C-N 3.32Å; D127-T129 PolarHBondContact O-N 3.27Å; D127-T129 WeakPolarHBondContact OD1-CA 3.19Å; D127-T129 WeakPolarHBondContact OD1-CB 3.22Å; D127-T129 PolarHBondContact OD1-N 3.14Å; D127-K130 HydrophobicContact CB-CB 4.01Å; D127-K130 HydrophobicContact CB-CD 4.09Å; D127-K130 HydrophobicContact CB-CG 4.15Å; D127-K130 PolarHBondContact O-N 2.94Å; D127-K130 PolarHBondContact OD1-N 3.13Å; D127-K130 WeakPolarHBondContact OD2-CD 3.08Å; D127-K130 WeakPolarHBondContact OD2-CE 3.17Å; D127-K130 WeakPolarHBondContact OD2-CG 3.18Å; D127-K130 IonicContact OD2-NZ 2.7Å; D127-K130 PolarHBondContact OD2-NZ 3.17Å; D127-R131 VanDerWaalsContact O-CB 3.25Å; D127-R131 WeakPolarHBondContact O-CB 3.42Å; D127-R131 PolarHBondContact O-N 3.41Å |
| 128 | R | 97.2 | Very high | 97.4 | Very high | 157 Ų | 157 | 102 Ų | 102 | 59% | 0.592 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.4 | -38.4 | -178.9 | -169.8 | 177.6 | -172.2 | -160.5 | -2.6 | 113.4 | S126 R131 Y132 | S126-R128 PolarHBondContact O-N 3.02Å; R128-R131 PolarHBondContact O-N 3.39Å; R128-Y132 HydrophobicContact CG-CD2 4.1Å; R128-Y132 HydrophobicContact CG-CE2 3.51Å; R128-Y132 PolarHBondContact NE-OH 3.48Å; R128-Y132 PolarHBondContact NH2-OH 2.94Å; R128-Y132 VanDerWaalsContact NH2-OH 3.08Å; R128-Y132 WeakPolarHBondContact O-CD2 3.49Å; R128-Y132 PolarHBondContact O-N 3.25Å |
| 129 | T | 97.6 | Very high | 97.5 | Very high | 111 Ų | 111 | 97.6 Ų | 97.6 | 68% | 0.681 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -73 | -45.2 | -178.4 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | D127 R131 S133 | D127-T129 VanDerWaalsContact C-N 3.32Å; D127-T129 PolarHBondContact O-N 3.27Å; D127-T129 WeakPolarHBondContact OD1-CA 3.19Å; D127-T129 WeakPolarHBondContact OD1-CB 3.22Å; D127-T129 PolarHBondContact OD1-N 3.14Å; T129-R131 VanDerWaalsContact C-N 3.3Å; T129-R131 PolarHBondContact O-N 3.19Å; T129-S133 WeakPolarHBondContact O-CB 3.27Å; T129-S133 PolarHBondContact O-N 3.28Å |
| 130 | K | 97.2 | Very high | 97.5 | Very high | 127 Ų | 127 | 91.8 Ų | 91.8 | 55% | 0.552 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.4 | -37.5 | 172.3 | -68.7 | -177.9 | -172.9 | 97.5 | 0 | 111.4 | I125 D127 T134 | I125-K130 HydrophobicContact CG2-CB 3.94Å; D127-K130 HydrophobicContact CB-CB 4.01Å; D127-K130 HydrophobicContact CB-CD 4.09Å; D127-K130 HydrophobicContact CB-CG 4.15Å; D127-K130 PolarHBondContact O-N 2.94Å; D127-K130 PolarHBondContact OD1-N 3.13Å; D127-K130 WeakPolarHBondContact OD2-CD 3.08Å; D127-K130 WeakPolarHBondContact OD2-CE 3.17Å; D127-K130 WeakPolarHBondContact OD2-CG 3.18Å; D127-K130 IonicContact OD2-NZ 2.7Å; D127-K130 PolarHBondContact OD2-NZ 3.17Å; K130-T134 VanDerWaalsContact O-CB 3.24Å; K130-T134 WeakPolarHBondContact O-CB 3.43Å; K130-T134 PolarHBondContact O-N 3.37Å; K130-T134 PolarHBondContact O-OG1 3.2Å |
| 131 | R | 98 | Very high | 97.6 | Very high | 48 Ų | 48 | 89.9 Ų | 89.9 | 18% | 0.181 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.6 | -51.2 | 177 | -168 | -167.6 | -55.1 | 141.8 | 9.2 | 111.6 | I125 S126 D127 R128 T129 T134 F135 E164 | I125-R131 HydrophobicContact CB-CB 4.21Å; I125-R131 HydrophobicContact CB-CG 4.42Å; I125-R131 HydrophobicContact CG2-CB 4.16Å; I125-R131 VanDerWaalsContact O-CZ 3.25Å; I125-R131 PolarHBondContact O-NE 2.96Å; I125-R131 PolarHBondContact O-NH2 2.97Å; S126-R131 PolarHBondContact O-NH2 2.92Å; D127-R131 VanDerWaalsContact O-CB 3.25Å; D127-R131 WeakPolarHBondContact O-CB 3.42Å; D127-R131 PolarHBondContact O-N 3.41Å; R128-R131 PolarHBondContact O-N 3.39Å; T129-R131 VanDerWaalsContact C-N 3.3Å; T129-R131 PolarHBondContact O-N 3.19Å; R131-T134 PolarHBondContact O-N 2.59Å; R131-F135 VanDerWaalsContact O-CB 3.31Å; R131-F135 WeakPolarHBondContact O-CB 3.48Å; R131-F135 PolarHBondContact O-N 2.64Å; R131-E164 WeakPolarHBondContact CD-OE1 3.34Å; R131-E164 IonicContact CZ-OE1 3.47Å; R131-E164 IonicContact NE-OE1 2.64Å; R131-E164 PolarHBondContact NE-OE1 3.24Å; R131-E164 IonicContact NH1-OE1 3.54Å; R131-E164 PolarHBondContact NH1-OE1 3.05Å; R131-E164 IonicContact NH1-OE2 3.52Å |
| 132 | Y | 97.3 | Very high | 97.6 | Very high | 70 Ų | 70 | 90.1 Ų | 90.1 | 28% | 0.275 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 177 | -66.3 | -33.3 | 0 | 0 | 0 | 112.9 | R128 T134 F135 S136 E164 | R128-Y132 HydrophobicContact CG-CD2 4.1Å; R128-Y132 HydrophobicContact CG-CE2 3.51Å; R128-Y132 PolarHBondContact NE-OH 3.48Å; R128-Y132 PolarHBondContact NH2-OH 2.94Å; R128-Y132 VanDerWaalsContact NH2-OH 3.08Å; R128-Y132 WeakPolarHBondContact O-CD2 3.49Å; R128-Y132 PolarHBondContact O-N 3.25Å; Y132-T134 VanDerWaalsContact C-N 3.29Å; Y132-T134 PolarHBondContact O-N 2.89Å; Y132-F135 PolarHBondContact O-N 2.91Å; Y132-S136 PolarHBondContact O-N 3.32Å; Y132-S136 PolarHBondContact O-OG 3.25Å; Y132-E164 HydrophobicContact CE1-CB 4.26Å; Y132-E164 HydrophobicContact CE1-CG 4.32Å; Y132-E164 WeakPolarHBondContact CE1-OE2 3.27Å; Y132-E164 PolarHBondContact OH-OE2 3.09Å |
| 133 | S | 97.2 | Very high | 97.7 | Very high | 57 Ų | 57 | 83.1 Ų | 83.1 | 40% | 0.399 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60 | -40.6 | 175 | -164.1 | 0 | 0 | 0 | 0 | 112 | T129 K137 | T129-S133 WeakPolarHBondContact O-CB 3.27Å; T129-S133 PolarHBondContact O-N 3.28Å; S133-K137 VanDerWaalsContact O-CG 3.31Å; S133-K137 WeakPolarHBondContact O-CG 3.25Å; S133-K137 PolarHBondContact O-N 3.1Å |
| 134 | T | 97.8 | Very high | 97.7 | Very high | 33 Ų | 33 | 82.8 Ų | 82.8 | 20% | 0.202 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -73.2 | -40.2 | 178.2 | -57.8 | 0 | 0 | 0 | 0 | 112 | I125 K130 R131 Y132 K137 R138 | I125-T134 HydrophobicContact CD1-CG2 3.85Å; K130-T134 VanDerWaalsContact O-CB 3.24Å; K130-T134 WeakPolarHBondContact O-CB 3.43Å; K130-T134 PolarHBondContact O-N 3.37Å; K130-T134 PolarHBondContact O-OG1 3.2Å; R131-T134 PolarHBondContact O-N 2.59Å; Y132-T134 VanDerWaalsContact C-N 3.29Å; Y132-T134 PolarHBondContact O-N 2.89Å; T134-K137 PolarHBondContact O-N 3.37Å; T134-R138 HydrophobicContact CG2-CG 4.02Å; T134-R138 VanDerWaalsContact O-CB 3.3Å; T134-R138 WeakPolarHBondContact O-CB 3.47Å; T134-R138 WeakPolarHBondContact O-CG 3.27Å; T134-R138 PolarHBondContact O-N 2.97Å |
| 135 | F | 98.2 | Very high | 97.7 | Very high | 53 Ų | 53 | 82.6 Ų | 82.6 | 23% | 0.232 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -57.8 | -52.9 | 174.8 | 174.1 | -93.7 | 0 | 0 | 0 | 110.6 | R131 Y132 K137 R138 K139 V161 Y169 | R131-F135 VanDerWaalsContact O-CB 3.31Å; R131-F135 WeakPolarHBondContact O-CB 3.48Å; R131-F135 PolarHBondContact O-N 2.64Å; Y132-F135 PolarHBondContact O-N 2.91Å; F135-K137 VanDerWaalsContact C-N 3.35Å; F135-K137 PolarHBondContact O-N 3.23Å; F135-R138 PolarHBondContact O-N 3.34Å; F135-K139 HydrophobicContact CE1-CD 3.94Å; F135-K139 HydrophobicContact CZ-CD 4.08Å; F135-K139 WeakPolarHBondContact O-CB 3.23Å; F135-K139 PolarHBondContact O-N 3.05Å; F135-V161 HydrophobicContact CE2-CG1 3.66Å; F135-V161 HydrophobicContact CZ-CG1 3.84Å; F135-Y169 AromaticContact CE1-CE2 3.95Å; F135-Y169 HydrophobicContact CE1-CE2 3.95Å; F135-Y169 HydrophobicContact CZ-CD2 4.24Å; F135-Y169 HydrophobicContact CZ-CE2 4.01Å |
| 136 | S | 96.9 | Very high | 97.7 | Very high | 62 Ų | 62 | 81 Ų | 81 | 43% | 0.434 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | -179.7 | -64.9 | 0 | 0 | 0 | 0 | 112.2 | Y132 T140 | Y132-S136 PolarHBondContact O-N 3.32Å; Y132-S136 PolarHBondContact O-OG 3.25Å; S136-T140 PolarHBondContact O-N 3Å; S136-T140 VanDerWaalsContact O-N 3.17Å; S136-T140 PolarHBondContact O-OG1 2.86Å |
| 137 | K | 97.5 | Very high | 97.7 | Very high | 151 Ų | 151 | 77.6 Ų | 77.6 | 66% | 0.657 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67.6 | -47.3 | 178.3 | -70.8 | 171.9 | -177.6 | 172.9 | 0 | 112.7 | S133 T134 F135 T140 G141 | S133-K137 VanDerWaalsContact O-CG 3.31Å; S133-K137 WeakPolarHBondContact O-CG 3.25Å; S133-K137 PolarHBondContact O-N 3.1Å; T134-K137 PolarHBondContact O-N 3.37Å; F135-K137 VanDerWaalsContact C-N 3.35Å; F135-K137 PolarHBondContact O-N 3.23Å; K137-T140 PolarHBondContact O-N 3.43Å; K137-G141 PolarHBondContact O-N 2.88Å; K137-G141 VanDerWaalsContact O-N 3.1Å |
| 138 | R | 98.2 | Very high | 97.7 | Very high | 138 Ų | 138 | 78.4 Ų | 78.4 | 52% | 0.521 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 178.3 | -72.8 | -172.1 | -177.9 | -168.4 | 2.7 | 111.6 | T134 F135 T140 G141 L142 | T134-R138 HydrophobicContact CG2-CG 4.02Å; T134-R138 VanDerWaalsContact O-CB 3.3Å; T134-R138 WeakPolarHBondContact O-CB 3.47Å; T134-R138 WeakPolarHBondContact O-CG 3.27Å; T134-R138 PolarHBondContact O-N 2.97Å; F135-R138 PolarHBondContact O-N 3.34Å; R138-T140 PolarHBondContact O-N 3.21Å; R138-G141 PolarHBondContact O-N 2.93Å; R138-L142 VanDerWaalsContact O-CB 3.26Å; R138-L142 WeakPolarHBondContact O-CB 3.09Å; R138-L142 PolarHBondContact O-N 2.91Å |
| 139 | K | 98 | Very high | 97.8 | Very high | 32 Ų | 32 | 75.2 Ų | 75.2 | 14% | 0.139 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -55.6 | -51.9 | 174.9 | 179.9 | -176.7 | 68.7 | 68.5 | 0 | 111.2 | F135 L142 M143 Y169 | F135-K139 HydrophobicContact CE1-CD 3.94Å; F135-K139 HydrophobicContact CZ-CD 4.08Å; F135-K139 WeakPolarHBondContact O-CB 3.23Å; F135-K139 PolarHBondContact O-N 3.05Å; K139-L142 PolarHBondContact O-N 2.87Å; K139-M143 HydrophobicContact CG-CG 4.36Å; K139-M143 WeakPolarHBondContact O-CB 3.46Å; K139-M143 WeakPolarHBondContact O-CG 3.49Å; K139-M143 PolarHBondContact O-N 2.85Å; K139-Y169 HydrophobicContact CD-CD1 3.77Å; K139-Y169 HydrophobicContact CD-CD2 3.59Å; K139-Y169 HydrophobicContact CD-CE1 4.02Å; K139-Y169 HydrophobicContact CD-CE2 3.88Å; K139-Y169 HydrophobicContact CD-CG 3.54Å |
| 140 | T | 97.7 | Very high | 97.8 | Very high | 88 Ų | 88 | 70.6 Ų | 70.6 | 54% | 0.54 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | -179.6 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | S136 K137 R138 K144 | S136-T140 PolarHBondContact O-N 3Å; S136-T140 VanDerWaalsContact O-N 3.17Å; S136-T140 PolarHBondContact O-OG1 2.86Å; K137-T140 PolarHBondContact O-N 3.43Å; R138-T140 PolarHBondContact O-N 3.21Å; T140-K144 PolarHBondContact O-N 3.38Å |
| 141 | G | 97.9 | Very high | 97.8 | Very high | 40 Ų | 40 | 69.8 Ų | 69.8 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K137 R138 K145 | K137-G141 PolarHBondContact O-N 2.88Å; K137-G141 VanDerWaalsContact O-N 3.1Å; R138-G141 PolarHBondContact O-N 2.93Å; G141-K145 PolarHBondContact O-N 3.3Å |
| 142 | L | 98.1 | Very high | 97.8 | Very high | 82 Ų | 82 | 74.6 Ų | 74.6 | 43% | 0.429 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.5 | -39.5 | 178.5 | -173.4 | 63.9 | 0 | 0 | 0 | 112 | R138 K139 K145 A146 L159 | R138-L142 VanDerWaalsContact O-CB 3.26Å; R138-L142 WeakPolarHBondContact O-CB 3.09Å; R138-L142 PolarHBondContact O-N 2.91Å; K139-L142 PolarHBondContact O-N 2.87Å; L142-K145 PolarHBondContact O-N 2.93Å; L142-A146 PolarHBondContact O-N 2.93Å; L142-L159 HydrophobicContact CD2-CD1 3.89Å; L142-L159 HydrophobicContact CD2-CD2 4.27Å; L142-L159 HydrophobicContact CG-CD1 4.26Å; L142-L159 HydrophobicContact CG-CD2 3.86Å |
| 143 | M | 97.7 | Very high | 97.8 | Very high | 9 Ų | 9 | 75.5 Ų | 75.5 | 4% | 0.044 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.5 | -43 | 173.1 | -69.7 | -77.8 | 165.8 | 0 | 0 | 111.1 | K139 A146 V147 L159 V161 F171 | K139-M143 HydrophobicContact CG-CG 4.36Å; K139-M143 WeakPolarHBondContact O-CB 3.46Å; K139-M143 WeakPolarHBondContact O-CG 3.49Å; K139-M143 PolarHBondContact O-N 2.85Å; M143-A146 PolarHBondContact O-N 2.68Å; M143-V147 WeakPolarHBondContact O-CG2 3.49Å; M143-V147 PolarHBondContact O-N 3.45Å; M143-V147 VanDerWaalsContact O-N 3.1Å; M143-L159 HydrophobicContact CE-CD2 3.74Å; M143-L159 HydrophobicContact CE-CG 3.86Å; M143-L159 HydrophobicContact CG-CD2 4.19Å; M143-L159 HydrophobicContact SD-CD2 3.68Å; M143-L159 HydrophobicContact SD-CG 4.29Å; M143-V161 HydrophobicContact CE-CB 4.26Å; M143-V161 HydrophobicContact CE-CG2 3.86Å; M143-F171 HydrophobicContact SD-CB 3.8Å |
| 144 | K | 98.1 | Very high | 97.7 | Very high | 130 Ų | 130 | 75.8 Ų | 75.8 | 57% | 0.565 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -61 | -45.1 | 174.4 | -166.6 | 176.3 | -167.2 | -80.4 | 0 | 111.7 | T140 A146 V147 E148 | T140-K144 PolarHBondContact O-N 3.38Å; K144-A146 VanDerWaalsContact C-N 3.3Å; K144-A146 PolarHBondContact O-N 3.42Å; K144-V147 WeakPolarHBondContact O-CB 3.19Å; K144-V147 PolarHBondContact O-N 3.2Å; K144-E148 HydrophobicContact CG-CG 4.41Å; K144-E148 IonicContact NZ-OE1 2.7Å; K144-E148 PolarHBondContact NZ-OE1 3.38Å; K144-E148 VanDerWaalsContact O-CG 3.31Å; K144-E148 WeakPolarHBondContact O-CG 3.41Å; K144-E148 PolarHBondContact O-N 3.2Å |
| 145 | K | 98.2 | Very high | 97.7 | Very high | 146 Ų | 146 | 76.3 Ų | 76.3 | 64% | 0.635 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60.7 | -35 | 175 | -80.3 | -164.8 | 167.8 | -154.1 | 0 | 113.7 | G141 L142 L149 | G141-K145 PolarHBondContact O-N 3.3Å; L142-K145 PolarHBondContact O-N 2.93Å; K145-L149 VanDerWaalsContact O-CB 3.25Å; K145-L149 WeakPolarHBondContact O-CB 3.43Å; K145-L149 PolarHBondContact O-N 3.04Å |
| 146 | A | 97.9 | Very high | 97.6 | Very high | 9 Ų | 9 | 77.2 Ų | 77.2 | 7% | 0.074 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -70.6 | -36.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L142 M143 K144 A150 V157 L159 F171 | L142-A146 PolarHBondContact O-N 2.93Å; M143-A146 PolarHBondContact O-N 2.68Å; K144-A146 VanDerWaalsContact C-N 3.3Å; K144-A146 PolarHBondContact O-N 3.42Å; A146-A150 WeakPolarHBondContact O-CB 3.42Å; A146-A150 PolarHBondContact O-N 2.84Å; A146-V157 HydrophobicContact CB-CG1 4.12Å; A146-L159 HydrophobicContact CB-CB 4.3Å; A146-L159 HydrophobicContact CB-CD2 3.82Å; A146-F171 HydrophobicContact CB-CD1 3.6Å; A146-F171 HydrophobicContact CB-CE1 3.94Å; A146-F171 HydrophobicContact CB-CG 4.35Å; A146-F171 VanDerWaalsContact O-CE1 3.25Å; A146-F171 WeakPolarHBondContact O-CE1 3.26Å |
| 147 | V | 97.9 | Very high | 97.6 | Very high | 34 Ų | 34 | 75.4 Ų | 75.4 | 21% | 0.206 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.3 | -55.1 | 169.8 | 174.4 | 0 | 0 | 0 | 0 | 110.2 | M143 K144 L149 A150 E151 F171 | M143-V147 WeakPolarHBondContact O-CG2 3.49Å; M143-V147 PolarHBondContact O-N 3.45Å; M143-V147 VanDerWaalsContact O-N 3.1Å; K144-V147 WeakPolarHBondContact O-CB 3.19Å; K144-V147 PolarHBondContact O-N 3.2Å; V147-L149 VanDerWaalsContact C-N 3.3Å; V147-L149 PolarHBondContact O-N 3.11Å; V147-A150 PolarHBondContact O-N 2.91Å; V147-A150 VanDerWaalsContact O-N 3.15Å; V147-E151 VanDerWaalsContact CG1-CD 3.45Å; V147-E151 HydrophobicContact CG1-CG 4.32Å; V147-E151 VanDerWaalsContact CG1-OE1 3.27Å; V147-E151 WeakPolarHBondContact CG1-OE1 3.48Å; V147-E151 WeakPolarHBondContact O-CB 3.33Å; V147-E151 WeakPolarHBondContact O-CG 3.21Å; V147-E151 PolarHBondContact O-N 3.33Å; V147-F171 HydrophobicContact CB-CE2 4.39Å; V147-F171 HydrophobicContact CB-CZ 4.49Å; V147-F171 HydrophobicContact CG2-CD2 3.82Å; V147-F171 HydrophobicContact CG2-CE2 3.54Å; V147-F171 HydrophobicContact CG2-CZ 4.06Å |
| 148 | E | 97.9 | Very high | 97.6 | Very high | 69 Ų | 69 | 71.5 Ų | 71.5 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -54.2 | -43.6 | 178.8 | -71.6 | 166.6 | 167.7 | 0 | 0 | 112.2 | K144 L152 | K144-E148 HydrophobicContact CG-CG 4.41Å; K144-E148 IonicContact NZ-OE1 2.7Å; K144-E148 PolarHBondContact NZ-OE1 3.38Å; K144-E148 VanDerWaalsContact O-CG 3.31Å; K144-E148 WeakPolarHBondContact O-CG 3.41Å; K144-E148 PolarHBondContact O-N 3.2Å; E148-L152 HydrophobicContact CB-CD1 4.44Å; E148-L152 WeakPolarHBondContact O-CB 3.2Å; E148-L152 WeakPolarHBondContact O-CD1 3.31Å; E148-L152 WeakPolarHBondContact O-CG 3.48Å; E148-L152 PolarHBondContact O-N 3.1Å |
| 149 | L | 97.8 | Very high | 97.6 | Very high | 90 Ų | 90 | 66.3 Ų | 66.3 | 47% | 0.471 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 178.2 | 178.4 | 61.8 | 0 | 0 | 0 | 112 | K145 V147 T153 V157 | K145-L149 VanDerWaalsContact O-CB 3.25Å; K145-L149 WeakPolarHBondContact O-CB 3.43Å; K145-L149 PolarHBondContact O-N 3.04Å; V147-L149 VanDerWaalsContact C-N 3.3Å; V147-L149 PolarHBondContact O-N 3.11Å; L149-T153 HydrophobicContact CD1-CG2 4.05Å; L149-T153 WeakPolarHBondContact O-CB 3.25Å; L149-T153 PolarHBondContact O-N 3.34Å; L149-T153 PolarHBondContact O-OG1 3.35Å; L149-V157 HydrophobicContact CD2-CG2 3.99Å; L149-V157 HydrophobicContact CG-CG2 4.14Å |
| 150 | A | 97.7 | Very high | 97.5 | Very high | 15 Ų | 15 | 68.1 Ų | 68.1 | 12% | 0.124 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.3 | -39 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | A146 V147 G154 V157 F171 T173 | A146-A150 WeakPolarHBondContact O-CB 3.42Å; A146-A150 PolarHBondContact O-N 2.84Å; V147-A150 PolarHBondContact O-N 2.91Å; V147-A150 VanDerWaalsContact O-N 3.15Å; A150-G154 VanDerWaalsContact O-CA 3.27Å; A150-G154 WeakPolarHBondContact O-CA 3.26Å; A150-G154 PolarHBondContact O-N 3.34Å; A150-V157 HydrophobicContact CB-CB 4.42Å; A150-V157 HydrophobicContact CB-CG2 4.2Å; A150-F171 HydrophobicContact CB-CE1 4.23Å; A150-F171 HydrophobicContact CB-CZ 4.02Å; A150-T173 HydrophobicContact CB-CG2 3.6Å |
| 151 | E | 97.1 | Very high | 97.5 | Very high | 110 Ų | 110 | 65.1 Ų | 65.1 | 51% | 0.514 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -74.7 | -41.9 | -179.5 | -70.5 | 173.9 | 174.5 | 0 | 0 | 112.7 | V147 | V147-E151 VanDerWaalsContact CG1-CD 3.45Å; V147-E151 HydrophobicContact CG1-CG 4.32Å; V147-E151 VanDerWaalsContact CG1-OE1 3.27Å; V147-E151 WeakPolarHBondContact CG1-OE1 3.48Å; V147-E151 WeakPolarHBondContact O-CB 3.33Å; V147-E151 WeakPolarHBondContact O-CG 3.21Å; V147-E151 PolarHBondContact O-N 3.33Å |
| 152 | L | 97.9 | Very high | 97.4 | Very high | 149 Ų | 149 | 65.3 Ų | 65.3 | 78% | 0.78 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -77.8 | -20.1 | -177.3 | -67.2 | 171.2 | 0 | 0 | 0 | 114.1 | E148 | E148-L152 HydrophobicContact CB-CD1 4.44Å; E148-L152 WeakPolarHBondContact O-CB 3.2Å; E148-L152 WeakPolarHBondContact O-CD1 3.31Å; E148-L152 WeakPolarHBondContact O-CG 3.48Å; E148-L152 PolarHBondContact O-N 3.1Å |
| 153 | T | 97.9 | Very high | 97.2 | Very high | 89 Ų | 89 | 62.1 Ų | 62.1 | 55% | 0.546 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -121.4 | -13.5 | -175.6 | 68.6 | 0 | 0 | 0 | 0 | 114.6 | L149 A155 | L149-T153 HydrophobicContact CD1-CG2 4.05Å; L149-T153 WeakPolarHBondContact O-CB 3.25Å; L149-T153 PolarHBondContact O-N 3.34Å; L149-T153 PolarHBondContact O-OG1 3.35Å; T153-A155 PolarHBondContact O-N 3.07Å; T153-A155 VanDerWaalsContact OG1-CB 3.22Å; T153-A155 WeakPolarHBondContact OG1-CB 3.22Å; T153-A155 PolarHBondContact OG1-N 3.18Å |
| 154 | G | 95.6 | Very high | 97 | Very high | 63 Ų | 63 | 65.9 Ų | 65.9 | 65% | 0.649 | 36% | 0.364 | S | S | * | . | | | trans | 68.8 | 6.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A150 | A150-G154 VanDerWaalsContact O-CA 3.27Å; A150-G154 WeakPolarHBondContact O-CA 3.26Å; A150-G154 PolarHBondContact O-N 3.34Å |
| 155 | A | 96.5 | Very high | 96.7 | Very high | 43 Ų | 43 | 63.4 Ų | 63.4 | 36% | 0.355 | 36% | 0.36 | S | S | . | . | | | trans | -67.5 | 143.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T153 V157 | T153-A155 PolarHBondContact O-N 3.07Å; T153-A155 VanDerWaalsContact OG1-CB 3.22Å; T153-A155 WeakPolarHBondContact OG1-CB 3.22Å; T153-A155 PolarHBondContact OG1-N 3.18Å; A155-V157 HydrophobicContact CB-CG2 4.45Å; A155-V157 PolarHBondContact O-N 3.17Å |
| 156 | E | 96.9 | Very high | 96.3 | Very high | 73 Ų | 73 | 60.3 Ų | 60.3 | 34% | 0.341 | 35% | 0.35 | S | S | . | . | | | trans | -77.1 | 120.1 | 170.9 | -71.8 | -75.4 | 156.5 | 0 | 0 | 110 | T173 R175 L176 | E156-T173 VanDerWaalsContact CA-OG1 3.23Å; E156-T173 WeakPolarHBondContact CA-OG1 3.16Å; E156-T173 VanDerWaalsContact CD-OG1 3.31Å; E156-T173 WeakPolarHBondContact OE2-CB 3.41Å; E156-T173 PolarHBondContact OE2-OG1 2.96Å; E156-R175 HydrophobicContact CG-CB 4.28Å; E156-R175 HydrophobicContact CG-CG 4.47Å; E156-R175 VanDerWaalsContact OE1-CD 3.24Å; E156-R175 WeakPolarHBondContact OE1-CD 3.32Å; E156-R175 VanDerWaalsContact OE1-CG 3.27Å; E156-R175 WeakPolarHBondContact OE1-CG 3.38Å; E156-R175 PolarHBondContact OE1-N 3.5Å; E156-R175 WeakPolarHBondContact OE2-CB 3.48Å; E156-R175 PolarHBondContact OE2-N 3.38Å; E156-L176 HydrophobicContact CB-CD1 3.93Å; E156-L176 HydrophobicContact CB-CG 4.13Å; E156-L176 PolarHBondContact OE2-N 3.31Å |
| 157 | V | 97 | Very high | 96.1 | Very high | 23 Ų | 23 | 63.4 Ų | 63.4 | 14% | 0.139 | 36% | 0.363 | C | S | . | . | | | trans | -127.2 | 128.7 | -172.6 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | A146 L149 A150 A155 F171 A172 T173 | A146-V157 HydrophobicContact CB-CG1 4.12Å; L149-V157 HydrophobicContact CD2-CG2 3.99Å; L149-V157 HydrophobicContact CG-CG2 4.14Å; A150-V157 HydrophobicContact CB-CB 4.42Å; A150-V157 HydrophobicContact CB-CG2 4.2Å; A155-V157 HydrophobicContact CB-CG2 4.45Å; A155-V157 PolarHBondContact O-N 3.17Å; V157-F171 HydrophobicContact CB-CE1 4.11Å; V157-F171 HydrophobicContact CG1-CD1 4.25Å; V157-F171 HydrophobicContact CG1-CE1 4.04Å; V157-A172 WeakPolarHBondContact O-CA 3.1Å; V157-T173 HydrophobicContact CB-CG2 4.09Å; V157-T173 VanDerWaalsContact N-CG2 3.3Å; V157-T173 PolarHBondContact N-OG1 3.49Å; V157-T173 PolarHBondContact O-N 3.46Å; V157-T173 PolarHBondContact O-OG1 3.13Å |
| 158 | L | 97.4 | Very high | 96 | Very high | 70 Ų | 70 | 62.3 Ų | 62.3 | 37% | 0.366 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 120.5 | 170.5 | 173.7 | 64.1 | 0 | 0 | 0 | 109.2 | A172 L176 I179 I180 | L158-A172 HydrophobicContact CD1-CB 3.86Å; L158-L176 HydrophobicContact CB-CB 4.29Å; L158-L176 HydrophobicContact CB-CD1 3.74Å; L158-I179 HydrophobicContact CD2-CB 4.38Å; L158-I179 HydrophobicContact CD2-CD1 4.01Å; L158-I179 HydrophobicContact CD2-CG2 4.06Å; L158-I180 HydrophobicContact CD1-CG2 3.99Å |
| 159 | L | 97.6 | Very high | 95.9 | Very high | 29 Ų | 29 | 61 Ų | 61 | 15% | 0.152 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122.8 | 174.3 | 172.3 | 62.5 | 0 | 0 | 0 | 109.1 | L142 M143 A146 V161 T170 F171 | L142-L159 HydrophobicContact CD2-CD1 3.89Å; L142-L159 HydrophobicContact CD2-CD2 4.27Å; L142-L159 HydrophobicContact CG-CD1 4.26Å; L142-L159 HydrophobicContact CG-CD2 3.86Å; M143-L159 HydrophobicContact CE-CD2 3.74Å; M143-L159 HydrophobicContact CE-CG 3.86Å; M143-L159 HydrophobicContact CG-CD2 4.19Å; M143-L159 HydrophobicContact SD-CD2 3.68Å; M143-L159 HydrophobicContact SD-CG 4.29Å; A146-L159 HydrophobicContact CB-CB 4.3Å; A146-L159 HydrophobicContact CB-CD2 3.82Å; L159-V161 HydrophobicContact CD1-CG2 3.87Å; L159-V161 HydrophobicContact CG-CG2 4.17Å; L159-T170 WeakPolarHBondContact O-CA 3.43Å; L159-F171 HydrophobicContact CB-CB 4.38Å; L159-F171 PolarHBondContact N-O 3.46Å; L159-F171 PolarHBondContact O-N 3.02Å |
| 160 | L | 97.1 | Very high | 95.9 | Very high | 69 Ų | 69 | 56.9 Ų | 56.9 | 36% | 0.361 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 125.5 | 174.8 | -173.8 | 153.5 | 0 | 0 | 0 | 109.1 | V168 T170 I189 | L160-V168 HydrophobicContact CD1-CG1 4.09Å; L160-V168 HydrophobicContact CD2-CG1 3.89Å; L160-V168 HydrophobicContact CG-CG1 3.74Å; L160-T170 HydrophobicContact CD1-CG2 4.37Å; L160-T170 HydrophobicContact CG-CG2 4.21Å; L160-I189 HydrophobicContact CD1-CD1 3.85Å; L160-I189 HydrophobicContact CD1-CG1 4.06Å; L160-I189 HydrophobicContact CD1-CG2 3.99Å |
| 161 | V | 96.9 | Very high | 95.8 | Very high | 25 Ų | 25 | 56.6 Ų | 56.6 | 15% | 0.152 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 108.2 | 179.2 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | F135 M143 L159 Y169 | F135-V161 HydrophobicContact CE2-CG1 3.66Å; F135-V161 HydrophobicContact CZ-CG1 3.84Å; M143-V161 HydrophobicContact CE-CB 4.26Å; M143-V161 HydrophobicContact CE-CG2 3.86Å; L159-V161 HydrophobicContact CD1-CG2 3.87Å; L159-V161 HydrophobicContact CG-CG2 4.17Å; V161-Y169 PolarHBondContact N-O 3.04Å; V161-Y169 PolarHBondContact O-N 2.89Å |
| 162 | A | 95.7 | Very high | 95.8 | Very high | 45 Ų | 45 | 51.7 Ų | 51.7 | 37% | 0.372 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 144.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L193 | A162-L193 HydrophobicContact CB-CD2 4.01Å |
| 163 | S | 94.5 | Very high | 95.8 | Very high | 15 Ų | 15 | 45 Ų | 45 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | | | trans | -106.7 | 161.5 | 174.8 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | T165 N166 H167 | S163-T165 PolarHBondContact O-N 2.83Å; S163-T165 PolarHBondContact OG-OG1 2.9Å; S163-N166 WeakPolarHBondContact O-CA 3.37Å; S163-N166 PolarHBondContact O-N 3.24Å; S163-H167 PolarHBondContact N-O 2.94Å; S163-H167 WeakPolarHBondContact OG-CA 3.34Å; S163-H167 WeakPolarHBondContact OG-CB 3.33Å; S163-H167 PolarHBondContact OG-N 2.8Å; S163-H167 PolarHBondContact OG-O 3.29Å |
| 164 | E | 92.4 | Very high | 95.7 | Very high | 88 Ų | 88 | 46.7 Ų | 46.7 | 41% | 0.411 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -36 | 171.5 | -60 | -175.2 | 166.5 | 0 | 0 | 112.3 | R131 Y132 N166 | R131-E164 WeakPolarHBondContact CD-OE1 3.34Å; R131-E164 IonicContact CZ-OE1 3.47Å; R131-E164 IonicContact NE-OE1 2.64Å; R131-E164 PolarHBondContact NE-OE1 3.24Å; R131-E164 IonicContact NH1-OE1 3.54Å; R131-E164 PolarHBondContact NH1-OE1 3.05Å; R131-E164 IonicContact NH1-OE2 3.52Å; Y132-E164 HydrophobicContact CE1-CB 4.26Å; Y132-E164 HydrophobicContact CE1-CG 4.32Å; Y132-E164 WeakPolarHBondContact CE1-OE2 3.27Å; Y132-E164 PolarHBondContact OH-OE2 3.09Å; E164-N166 PolarHBondContact O-N 2.86Å |
| 165 | T | 92.2 | Very high | 95.7 | Very high | 77 Ų | 77 | 51.5 Ų | 51.5 | 47% | 0.472 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 19.3 | 174.2 | 57.8 | 0 | 0 | 0 | 0 | 112.4 | S163 H167 | S163-T165 PolarHBondContact O-N 2.83Å; S163-T165 PolarHBondContact OG-OG1 2.9Å; T165-H167 PolarHBondContact O-N 2.95Å; T165-H167 PolarHBondContact O-ND1 2.77Å; T165-H167 PolarHBondContact OG1-ND1 2.77Å |
| 166 | N | 90.7 | Very high | 95.6 | Very high | 81 Ų | 81 | 51.6 Ų | 51.6 | 43% | 0.433 | 26% | 0.261 | S | S | . | . | | | trans | 63.1 | -1.9 | 174.6 | -104 | -81.8 | 0 | 0 | 0 | 116.7 | S163 E164 K289 | S163-N166 WeakPolarHBondContact O-CA 3.37Å; S163-N166 PolarHBondContact O-N 3.24Å; E164-N166 PolarHBondContact O-N 2.86Å; N166-K289 HydrophobicContact CB-CD 4.04Å; N166-K289 WeakPolarHBondContact O-CD 3.45Å; N166-K289 VanDerWaalsContact O-CE 3.32Å; N166-K289 WeakPolarHBondContact O-CE 3.11Å; N166-K289 PolarHBondContact O-NZ 3.03Å; N166-K289 PolarHBondContact OD1-NZ 3.1Å |
| 167 | H | 93.2 | Very high | 95.5 | Very high | 74 Ų | 74 | 51.5 Ų | 51.5 | 34% | 0.343 | 26% | 0.26 | S | S | . | . | | | trans | -67.6 | 137.6 | 173.8 | -63.1 | 74.9 | 0 | 0 | 0 | 110.2 | S163 T165 Y169 | S163-H167 PolarHBondContact N-O 2.94Å; S163-H167 WeakPolarHBondContact OG-CA 3.34Å; S163-H167 WeakPolarHBondContact OG-CB 3.33Å; S163-H167 PolarHBondContact OG-N 2.8Å; S163-H167 PolarHBondContact OG-O 3.29Å; T165-H167 PolarHBondContact O-N 2.95Å; T165-H167 PolarHBondContact O-ND1 2.77Å; T165-H167 PolarHBondContact OG1-ND1 2.77Å; H167-Y169 HydrophobicContact CB-CE2 4.02Å |
| 168 | V | 95.1 | Very high | 95.4 | Very high | 11 Ų | 11 | 51.7 Ų | 51.7 | 7% | 0.067 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 120.9 | 178.7 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | L160 T170 L193 I287 | L160-V168 HydrophobicContact CD1-CG1 4.09Å; L160-V168 HydrophobicContact CD2-CG1 3.89Å; L160-V168 HydrophobicContact CG-CG1 3.74Å; V168-T170 HydrophobicContact CG1-CG2 4.04Å; V168-L193 HydrophobicContact CG2-CD1 3.74Å; V168-I287 PolarHBondContact O-N 3.23Å |
| 169 | Y | 96.9 | Very high | 95.3 | Very high | 43 Ų | 43 | 52 Ų | 52 | 17% | 0.169 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.2 | 176.2 | -56.1 | -94.8 | 0 | 0 | 0 | 108.6 | F135 K139 V161 H167 I286 | F135-Y169 AromaticContact CE1-CE2 3.95Å; F135-Y169 HydrophobicContact CE1-CE2 3.95Å; F135-Y169 HydrophobicContact CZ-CD2 4.24Å; F135-Y169 HydrophobicContact CZ-CE2 4.01Å; K139-Y169 HydrophobicContact CD-CD1 3.77Å; K139-Y169 HydrophobicContact CD-CD2 3.59Å; K139-Y169 HydrophobicContact CD-CE1 4.02Å; K139-Y169 HydrophobicContact CD-CE2 3.88Å; K139-Y169 HydrophobicContact CD-CG 3.54Å; V161-Y169 PolarHBondContact N-O 3.04Å; V161-Y169 PolarHBondContact O-N 2.89Å; H167-Y169 HydrophobicContact CB-CE2 4.02Å; Y169-I286 HydrophobicContact CD1-CD1 4.25Å; Y169-I286 HydrophobicContact CD1-CG1 4.08Å; Y169-I286 HydrophobicContact CD1-CG2 4.47Å; Y169-I286 HydrophobicContact CE1-CD1 4.18Å; Y169-I286 HydrophobicContact CE1-CG1 4.45Å; Y169-I286 HydrophobicContact CE1-CG2 4.45Å |
| 170 | T | 96.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.4 | -175.7 | 57.7 | 0 | 0 | 0 | 0 | 112.8 | L159 L160 V168 I180 G285 | L159-T170 WeakPolarHBondContact O-CA 3.43Å; L160-T170 HydrophobicContact CD1-CG2 4.37Å; L160-T170 HydrophobicContact CG-CG2 4.21Å; V168-T170 HydrophobicContact CG1-CG2 4.04Å; T170-I180 HydrophobicContact CG2-CG2 3.95Å; T170-I180 WeakPolarHBondContact OG1-CD1 3.3Å; T170-G285 PolarHBondContact N-O 3.29Å; T170-G285 PolarHBondContact OG1-O 2.64Å; T170-G285 VanDerWaalsContact OG1-O 3.14Å |
| 171 | F | 97.1 | Very high | 95 | Very high | 10 Ų | 10 | 53 Ų | 53 | 4% | 0.044 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 132.5 | 160.1 | 167.6 | -97.7 | 0 | 0 | 0 | 107.7 | M143 A146 V147 A150 V157 L159 T173 | M143-F171 HydrophobicContact SD-CB 3.8Å; A146-F171 HydrophobicContact CB-CD1 3.6Å; A146-F171 HydrophobicContact CB-CE1 3.94Å; A146-F171 HydrophobicContact CB-CG 4.35Å; A146-F171 VanDerWaalsContact O-CE1 3.25Å; A146-F171 WeakPolarHBondContact O-CE1 3.26Å; V147-F171 HydrophobicContact CB-CE2 4.39Å; V147-F171 HydrophobicContact CB-CZ 4.49Å; V147-F171 HydrophobicContact CG2-CD2 3.82Å; V147-F171 HydrophobicContact CG2-CE2 3.54Å; V147-F171 HydrophobicContact CG2-CZ 4.06Å; A150-F171 HydrophobicContact CB-CE1 4.23Å; A150-F171 HydrophobicContact CB-CZ 4.02Å; V157-F171 HydrophobicContact CB-CE1 4.11Å; V157-F171 HydrophobicContact CG1-CD1 4.25Å; V157-F171 HydrophobicContact CG1-CE1 4.04Å; L159-F171 HydrophobicContact CB-CB 4.38Å; L159-F171 PolarHBondContact N-O 3.46Å; L159-F171 PolarHBondContact O-N 3.02Å; F171-T173 HydrophobicContact CE1-CG2 4.34Å; F171-T173 HydrophobicContact CZ-CG2 4.35Å |
| 172 | A | 97 | Very high | 94.9 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 5% | 0.05 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 132.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | V157 L158 I180 R283 | V157-A172 WeakPolarHBondContact O-CA 3.1Å; L158-A172 HydrophobicContact CD1-CB 3.86Å; A172-I180 HydrophobicContact CB-CD1 3.7Å; A172-I180 HydrophobicContact CB-CG1 4.2Å; A172-R283 PolarHBondContact O-NH2 2.8Å |
| 173 | T | 97 | Very high | 94.9 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | | | trans | -67.2 | 167.9 | 167 | 50.9 | 0 | 0 | 0 | 0 | 111.5 | A150 E156 V157 F171 R175 L176 K177 | A150-T173 HydrophobicContact CB-CG2 3.6Å; E156-T173 VanDerWaalsContact CA-OG1 3.23Å; E156-T173 WeakPolarHBondContact CA-OG1 3.16Å; E156-T173 VanDerWaalsContact CD-OG1 3.31Å; E156-T173 WeakPolarHBondContact OE2-CB 3.41Å; E156-T173 PolarHBondContact OE2-OG1 2.96Å; V157-T173 HydrophobicContact CB-CG2 4.09Å; V157-T173 VanDerWaalsContact N-CG2 3.3Å; V157-T173 PolarHBondContact N-OG1 3.49Å; V157-T173 PolarHBondContact O-N 3.46Å; V157-T173 PolarHBondContact O-OG1 3.13Å; F171-T173 HydrophobicContact CE1-CG2 4.34Å; F171-T173 HydrophobicContact CZ-CG2 4.35Å; T173-R175 PolarHBondContact O-N 2.83Å; T173-L176 PolarHBondContact O-N 2.89Å; T173-K177 PolarHBondContact O-N 3.45Å |
| 174 | Q | 95.7 | Very high | 94.9 | Very high | 123 Ų | 123 | 64.4 Ų | 64.4 | 58% | 0.575 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -33.2 | -161 | -178.7 | 58.9 | 15.8 | 0 | 0 | 113.5 | | |
| 175 | R | 95.1 | Very high | 95 | Very high | 165 Ų | 165 | 60.6 Ų | 60.6 | 62% | 0.623 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -31.3 | 176.6 | -58.8 | 164.8 | 64.9 | -160.5 | 3.6 | 111.5 | N58 E156 T173 | N58-R175 PolarHBondContact OD1-NH1 3.16Å; N58-R175 PolarHBondContact OD1-NH2 3.2Å; E156-R175 HydrophobicContact CG-CB 4.28Å; E156-R175 HydrophobicContact CG-CG 4.47Å; E156-R175 VanDerWaalsContact OE1-CD 3.24Å; E156-R175 WeakPolarHBondContact OE1-CD 3.32Å; E156-R175 VanDerWaalsContact OE1-CG 3.27Å; E156-R175 WeakPolarHBondContact OE1-CG 3.38Å; E156-R175 PolarHBondContact OE1-N 3.5Å; E156-R175 WeakPolarHBondContact OE2-CB 3.48Å; E156-R175 PolarHBondContact OE2-N 3.38Å; T173-R175 PolarHBondContact O-N 2.83Å |
| 176 | L | 96.3 | Very high | 95.1 | Very high | 45 Ų | 45 | 61 Ų | 61 | 24% | 0.236 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -16.1 | -179.7 | -57.9 | -178.3 | 0 | 0 | 0 | 114.2 | E156 L158 T173 G178 I179 | E156-L176 HydrophobicContact CB-CD1 3.93Å; E156-L176 HydrophobicContact CB-CG 4.13Å; E156-L176 PolarHBondContact OE2-N 3.31Å; L158-L176 HydrophobicContact CB-CB 4.29Å; L158-L176 HydrophobicContact CB-CD1 3.74Å; T173-L176 PolarHBondContact O-N 2.89Å; L176-G178 PolarHBondContact O-N 3.06Å; L176-G178 VanDerWaalsContact O-N 3.11Å; L176-I179 HydrophobicContact CB-CD1 4.41Å; L176-I179 HydrophobicContact CD2-CD1 4.02Å; L176-I179 WeakPolarHBondContact O-CB 3.35Å; L176-I179 WeakPolarHBondContact O-CG1 3.38Å; L176-I179 PolarHBondContact O-N 3.38Å |
| 177 | K | 94.5 | Very high | 95.3 | Very high | 71 Ų | 71 | 63 Ų | 63 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -34.3 | 179 | -172.9 | 172.7 | 174.7 | -179.1 | 0 | 113.9 | T173 I179 I180 E181 | T173-K177 PolarHBondContact O-N 3.45Å; K177-I179 PolarHBondContact O-N 3.26Å; K177-I180 WeakPolarHBondContact O-CG1 3.37Å; K177-I180 PolarHBondContact O-N 3.36Å; K177-E181 WeakPolarHBondContact CE-OE1 3.31Å; K177-E181 WeakPolarHBondContact CE-OE2 3.38Å; K177-E181 HydrophobicContact CG-CG 4.27Å; K177-E181 IonicContact NZ-OE1 3.43Å; K177-E181 PolarHBondContact O-N 3.37Å; K177-E181 VanDerWaalsContact O-N 3.13Å |
| 178 | G | 94.1 | Very high | 95.4 | Very high | 27 Ų | 27 | 64.6 Ų | 64.6 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.6 | -27.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L176 I180 L182 | L176-G178 PolarHBondContact O-N 3.06Å; L176-G178 VanDerWaalsContact O-N 3.11Å; G178-I180 VanDerWaalsContact C-N 3.29Å; G178-I180 PolarHBondContact O-N 3.37Å; G178-L182 WeakPolarHBondContact O-CB 3.06Å; G178-L182 VanDerWaalsContact O-CG 3.22Å; G178-L182 WeakPolarHBondContact O-CG 3.47Å; G178-L182 PolarHBondContact O-N 2.83Å |
| 179 | I | 95.2 | Very high | 95.4 | Very high | 76 Ų | 76 | 65.6 Ų | 65.6 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.4 | -28.6 | -179.7 | -59.9 | 169.7 | 0 | 0 | 0 | 111.7 | L158 L176 K177 G185 | L158-I179 HydrophobicContact CD2-CB 4.38Å; L158-I179 HydrophobicContact CD2-CD1 4.01Å; L158-I179 HydrophobicContact CD2-CG2 4.06Å; L176-I179 HydrophobicContact CB-CD1 4.41Å; L176-I179 HydrophobicContact CD2-CD1 4.02Å; L176-I179 WeakPolarHBondContact O-CB 3.35Å; L176-I179 WeakPolarHBondContact O-CG1 3.38Å; L176-I179 PolarHBondContact O-N 3.38Å; K177-I179 PolarHBondContact O-N 3.26Å; I179-G185 CarbonylContact O-C 3.46Å; I179-G185 VanDerWaalsContact O-CA 3.26Å; I179-G185 WeakPolarHBondContact O-CA 3.49Å |
| 180 | I | 94.5 | Very high | 95.2 | Very high | 16 Ų | 16 | 69.8 Ų | 69.8 | 8% | 0.082 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -101.7 | -22.9 | -179.3 | 58.8 | 166.2 | 0 | 0 | 0 | 113.3 | L158 T170 A172 K177 G178 K186 I189 | L158-I180 HydrophobicContact CD1-CG2 3.99Å; T170-I180 HydrophobicContact CG2-CG2 3.95Å; T170-I180 WeakPolarHBondContact OG1-CD1 3.3Å; A172-I180 HydrophobicContact CB-CD1 3.7Å; A172-I180 HydrophobicContact CB-CG1 4.2Å; K177-I180 WeakPolarHBondContact O-CG1 3.37Å; K177-I180 PolarHBondContact O-N 3.36Å; G178-I180 VanDerWaalsContact C-N 3.29Å; G178-I180 PolarHBondContact O-N 3.37Å; I180-K186 WeakPolarHBondContact O-CE 3.31Å; I180-K186 WeakPolarHBondContact O-CG 3.24Å; I180-I189 HydrophobicContact CG2-CD1 4.25Å |
| 181 | E | 94.7 | Very high | 95.1 | Very high | 104 Ų | 104 | 73.5 Ų | 73.5 | 49% | 0.486 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -97.5 | -34.1 | -178.5 | -71.2 | -172.7 | 166 | 0 | 0 | 114.6 | K177 K186 | K177-E181 WeakPolarHBondContact CE-OE1 3.31Å; K177-E181 WeakPolarHBondContact CE-OE2 3.38Å; K177-E181 HydrophobicContact CG-CG 4.27Å; K177-E181 IonicContact NZ-OE1 3.43Å; K177-E181 PolarHBondContact O-N 3.37Å; K177-E181 VanDerWaalsContact O-N 3.13Å; E181-K186 WeakPolarHBondContact O-CE 3.47Å; E181-K186 PolarHBondContact O-NZ 3.43Å |
| 182 | L | 95.2 | Very high | 94.9 | Very high | 102 Ų | 102 | 76.5 Ų | 76.5 | 53% | 0.534 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -74.1 | 144.3 | -179.6 | -61.4 | 173.1 | 0 | 0 | 0 | 111.2 | G178 C184 G185 K186 | G178-L182 WeakPolarHBondContact O-CB 3.06Å; G178-L182 VanDerWaalsContact O-CG 3.22Å; G178-L182 WeakPolarHBondContact O-CG 3.47Å; G178-L182 PolarHBondContact O-N 2.83Å; L182-C184 VanDerWaalsContact C-N 3.26Å; L182-C184 PolarHBondContact O-N 3.39Å; L182-G185 PolarHBondContact O-N 2.97Å; L182-K186 PolarHBondContact O-N 3.28Å |
| 183 | E | 95.6 | Very high | 94.7 | Very high | 125 Ų | 125 | 78.7 Ų | 78.7 | 58% | 0.584 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.6 | -32.4 | -175.3 | -168.1 | 52 | -143 | 0 | 0 | 113.1 | G185 K187 | E183-G185 VanDerWaalsContact C-N 3.35Å; E183-G185 PolarHBondContact O-N 2.77Å; E183-K187 WeakPolarHBondContact O-CB 3.48Å; E183-K187 PolarHBondContact O-N 3.33Å |
| 184 | C | 94.1 | Very high | 94.4 | Very high | 96 Ų | 96 | 81.2 Ų | 81.2 | 65% | 0.649 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.9 | -38.9 | 172.4 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | L182 L188 | L182-C184 VanDerWaalsContact C-N 3.26Å; L182-C184 PolarHBondContact O-N 3.39Å; C184-L188 WeakPolarHBondContact O-CB 3.4Å; C184-L188 PolarHBondContact O-N 2.62Å; C184-L188 VanDerWaalsContact O-N 3.11Å |
| 185 | G | 94.6 | Very high | 93.5 | Very high | 8 Ų | 8 | 78.9 Ų | 78.9 | 8% | 0.082 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -73.7 | -45.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I179 L182 E183 K187 L188 I189 | I179-G185 CarbonylContact O-C 3.46Å; I179-G185 VanDerWaalsContact O-CA 3.26Å; I179-G185 WeakPolarHBondContact O-CA 3.49Å; L182-G185 PolarHBondContact O-N 2.97Å; E183-G185 VanDerWaalsContact C-N 3.35Å; E183-G185 PolarHBondContact O-N 2.77Å; G185-K187 PolarHBondContact O-N 3.06Å; G185-L188 WeakPolarHBondContact O-CB 3.32Å; G185-L188 PolarHBondContact O-N 3.37Å; G185-I189 WeakPolarHBondContact O-CG1 3.25Å; G185-I189 PolarHBondContact O-N 2.71Å |
| 186 | K | 93.9 | Very high | 92 | Very high | 86 Ų | 86 | 75.1 Ų | 75.1 | 37% | 0.374 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -54.4 | -49.4 | 172 | -73.3 | 167.6 | 171.9 | 158 | 0 | 112 | I180 E181 L182 L188 I189 Q190 | I180-K186 WeakPolarHBondContact O-CE 3.31Å; I180-K186 WeakPolarHBondContact O-CG 3.24Å; E181-K186 WeakPolarHBondContact O-CE 3.47Å; E181-K186 PolarHBondContact O-NZ 3.43Å; L182-K186 PolarHBondContact O-N 3.28Å; K186-L188 VanDerWaalsContact C-N 3.35Å; K186-L188 PolarHBondContact O-N 2.92Å; K186-I189 PolarHBondContact O-N 3.34Å; K186-Q190 WeakPolarHBondContact O-CB 3.47Å; K186-Q190 PolarHBondContact O-N 3.42Å |
| 187 | K | 94.7 | Very high | 90.2 | Very high | 122 Ų | 122 | 77.7 Ų | 77.7 | 53% | 0.53 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.1 | -36.5 | 178.6 | -171.8 | 168.5 | -174.9 | 168.6 | 0 | 112.8 | E183 G185 T191 | E183-K187 WeakPolarHBondContact O-CB 3.48Å; E183-K187 PolarHBondContact O-N 3.33Å; G185-K187 PolarHBondContact O-N 3.06Å; K187-T191 WeakPolarHBondContact O-CB 3.24Å; K187-T191 PolarHBondContact O-N 3.08Å; K187-T191 PolarHBondContact O-OG1 2.89Å |
| 188 | L | 95.3 | Very high | 88.2 | Confident | 108 Ų | 108 | 80.7 Ų | 80.7 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.5 | -52.3 | 172.2 | 178.3 | 61.4 | 0 | 0 | 0 | 111.2 | C184 G185 K186 Q190 T191 C192 | C184-L188 WeakPolarHBondContact O-CB 3.4Å; C184-L188 PolarHBondContact O-N 2.62Å; C184-L188 VanDerWaalsContact O-N 3.11Å; G185-L188 WeakPolarHBondContact O-CB 3.32Å; G185-L188 PolarHBondContact O-N 3.37Å; K186-L188 VanDerWaalsContact C-N 3.35Å; K186-L188 PolarHBondContact O-N 2.92Å; L188-Q190 VanDerWaalsContact C-N 3.33Å; L188-Q190 PolarHBondContact O-N 3.22Å; L188-T191 WeakPolarHBondContact O-CB 3.43Å; L188-T191 PolarHBondContact O-N 3.03Å; L188-T191 VanDerWaalsContact O-N 3.13Å; L188-C192 PolarHBondContact O-N 2.68Å; L188-C192 PolarHBondContact O-SG 3.28Å; L188-C192 VanDerWaalsContact O-SG 3.38Å |
| 189 | I | 94.4 | Very high | 86.1 | Confident | 32 Ų | 32 | 83.6 Ų | 83.6 | 16% | 0.164 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -57.4 | -45.4 | 178.2 | -67 | 162.3 | 0 | 0 | 0 | 110.8 | L160 I180 G185 K186 C192 L193 | L160-I189 HydrophobicContact CD1-CD1 3.85Å; L160-I189 HydrophobicContact CD1-CG1 4.06Å; L160-I189 HydrophobicContact CD1-CG2 3.99Å; I180-I189 HydrophobicContact CG2-CD1 4.25Å; G185-I189 WeakPolarHBondContact O-CG1 3.25Å; G185-I189 PolarHBondContact O-N 2.71Å; K186-I189 PolarHBondContact O-N 3.34Å; I189-C192 PolarHBondContact O-N 3.39Å; I189-L193 HydrophobicContact CG2-CD1 3.9Å; I189-L193 WeakPolarHBondContact O-CG 2.93Å; I189-L193 PolarHBondContact O-N 3.13Å |
| 190 | Q | 92.7 | Very high | 83.9 | Confident | 131 Ų | 131 | 86.6 Ų | 86.6 | 61% | 0.612 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.6 | -42.4 | 176.8 | -175.3 | -178.9 | 6.4 | 0 | 0 | 111.9 | K186 L188 L193 S194 | K186-Q190 WeakPolarHBondContact O-CB 3.47Å; K186-Q190 PolarHBondContact O-N 3.42Å; L188-Q190 VanDerWaalsContact C-N 3.33Å; L188-Q190 PolarHBondContact O-N 3.22Å; Q190-L193 PolarHBondContact O-N 2.84Å; Q190-S194 VanDerWaalsContact O-CB 3.24Å; Q190-S194 WeakPolarHBondContact O-CB 3.39Å; Q190-S194 PolarHBondContact O-N 3.33Å; Q190-S194 PolarHBondContact O-OG 3.44Å |
| 191 | T | 94.5 | Very high | 81.5 | Confident | 80 Ų | 80 | 93.3 Ų | 93.3 | 49% | 0.491 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.1 | -50.6 | 177.7 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | K187 L188 L193 S194 S195 | K187-T191 WeakPolarHBondContact O-CB 3.24Å; K187-T191 PolarHBondContact O-N 3.08Å; K187-T191 PolarHBondContact O-OG1 2.89Å; L188-T191 WeakPolarHBondContact O-CB 3.43Å; L188-T191 PolarHBondContact O-N 3.03Å; L188-T191 VanDerWaalsContact O-N 3.13Å; T191-L193 PolarHBondContact O-N 3.3Å; T191-S194 PolarHBondContact O-N 3.22Å; T191-S194 PolarHBondContact O-OG 3.49Å; T191-S195 PolarHBondContact O-N 3.32Å |
| 192 | C | 94.4 | Very high | 78.9 | Confident | 73 Ų | 73 | 93.5 Ų | 93.5 | 49% | 0.493 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -55.7 | -51.7 | 176.9 | -66 | 0 | 0 | 0 | 0 | 112 | L188 I189 S194 S195 | L188-C192 PolarHBondContact O-N 2.68Å; L188-C192 PolarHBondContact O-SG 3.28Å; L188-C192 VanDerWaalsContact O-SG 3.38Å; I189-C192 PolarHBondContact O-N 3.39Å; C192-S194 VanDerWaalsContact C-N 3.34Å; C192-S194 PolarHBondContact O-N 2.7Å; C192-S195 PolarHBondContact O-N 3.47Å; C192-S195 PolarHBondContact O-OG 2.9Å |
| 193 | L | 92.5 | Very high | 76.2 | Confident | 53 Ų | 53 | 93.8 Ų | 93.8 | 28% | 0.277 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.7 | -29.1 | -178 | -66.5 | 174.7 | 0 | 0 | 0 | 113.5 | A162 V168 I189 Q190 T191 | A162-L193 HydrophobicContact CB-CD2 4.01Å; V168-L193 HydrophobicContact CG2-CD1 3.74Å; I189-L193 HydrophobicContact CG2-CD1 3.9Å; I189-L193 WeakPolarHBondContact O-CG 2.93Å; I189-L193 PolarHBondContact O-N 3.13Å; Q190-L193 PolarHBondContact O-N 2.84Å; T191-L193 PolarHBondContact O-N 3.3Å |
| 194 | S | 90.3 | Very high | 73.8 | Confident | 63 Ų | 63 | 95.2 Ų | 95.2 | 44% | 0.441 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -72.7 | -30.4 | 177.2 | 70 | 0 | 0 | 0 | 0 | 113.1 | Q190 T191 C192 S196 V197 | Q190-S194 VanDerWaalsContact O-CB 3.24Å; Q190-S194 WeakPolarHBondContact O-CB 3.39Å; Q190-S194 PolarHBondContact O-N 3.33Å; Q190-S194 PolarHBondContact O-OG 3.44Å; T191-S194 PolarHBondContact O-N 3.22Å; T191-S194 PolarHBondContact O-OG 3.49Å; C192-S194 VanDerWaalsContact C-N 3.34Å; C192-S194 PolarHBondContact O-N 2.7Å; S194-S196 VanDerWaalsContact C-N 3.26Å; S194-S196 PolarHBondContact O-N 2.76Å; S194-V197 PolarHBondContact O-N 3.16Å |
| 195 | S | 77.2 | Confident | 71.2 | Confident | 74 Ų | 74 | 102.1 Ų | 102.1 | 52% | 0.517 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.8 | -32.9 | -174.6 | 71.2 | 0 | 0 | 0 | 0 | 114.1 | T191 C192 V197 | T191-S195 PolarHBondContact O-N 3.32Å; C192-S195 PolarHBondContact O-N 3.47Å; C192-S195 PolarHBondContact O-OG 2.9Å; S195-V197 VanDerWaalsContact C-N 3.31Å; S195-V197 PolarHBondContact O-N 2.9Å |
| 196 | S | 63 | Low | 68.5 | Low | 86 Ų | 86 | 106.3 Ų | 106.3 | 60% | 0.601 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -8.1 | -174.3 | -46.3 | 0 | 0 | 0 | 0 | 115 | S194 | S194-S196 VanDerWaalsContact C-N 3.26Å; S194-S196 PolarHBondContact O-N 2.76Å |
| 197 | V | 58.1 | Low | 66 | Low | 99 Ų | 99 | 108.6 Ų | 108.6 | 60% | 0.6 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -25.7 | -174 | -169.2 | 0 | 0 | 0 | 0 | 112.3 | S194 S195 | S194-V197 PolarHBondContact O-N 3.16Å; S195-V197 VanDerWaalsContact C-N 3.31Å; S195-V197 PolarHBondContact O-N 2.9Å |
| 198 | N | 52.3 | Low | 63.8 | Low | 134 Ų | 134 | 111 Ų | 111 | 72% | 0.717 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -92.8 | -9.8 | -167.3 | -66.7 | -13.2 | 0 | 0 | 0 | 114.9 | N200 | N198-N200 PolarHBondContact O-N 3.36Š|
| 199 | S | 51.4 | Low | 61.1 | Low | 87 Ų | 87 | 110.5 Ų | 110.5 | 61% | 0.608 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -9.4 | -170.2 | -60 | 0 | 0 | 0 | 0 | 115.8 | | |
| 200 | N | 47.4 | Very low | 58.1 | Low | 140 Ų | 140 | 116.1 Ų | 116.1 | 75% | 0.749 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -2 | -165 | -66.6 | 3.7 | 0 | 0 | 0 | 115.2 | N198 | N198-N200 PolarHBondContact O-N 3.36Š|
| 201 | N | 44.9 | Very low | 55.7 | Low | 156 Ų | 156 | 117.6 Ų | 117.6 | 83% | 0.834 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -114.1 | 4.1 | -174.7 | -74.7 | -3.2 | 0 | 0 | 0 | 114.6 | | |
| 202 | S | 40.4 | Very low | 52.8 | Low | 108 Ų | 108 | 118.2 Ų | 118.2 | 76% | 0.755 | 68% | 0.676 | S | S | * | * | | | trans | -106.3 | 63.1 | -178.3 | 63.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 203 | S | 37.6 | Very low | 49.7 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 76% | 0.762 | 69% | 0.69 | S | S | * | * | | | trans | -143.5 | 155.9 | 166.9 | -167.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 204 | I | 45.9 | Very low | 46.9 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 80% | 0.795 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 68.4 | 81.6 | -170.8 | -45.5 | 168.7 | 0 | 0 | 0 | 113.8 | | |
| 205 | R | 40.7 | Very low | 44.4 | Very low | 240 Ų | 240 | 128.5 Ų | 128.5 | 91% | 0.906 | 73% | 0.733 | S | S | * | * | | | | -178.6 | 99.4 | 129.2 | -98.7 | 161.7 | -164.8 | -79.4 | -1.7 | 110.4 | | |
| 206 | S | 36.5 | Very low | 42.3 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | | | trans | -75 | 146.8 | 156.8 | 56.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 207 | D | 41 | Very low | 40.8 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | | | | 164.2 | 131.2 | 120.5 | -81.6 | -3.3 | 0 | 0 | 0 | 112.8 | | |
| 208 | Q | 48.5 | Very low | 39.8 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | | | trans | 72.5 | 155.9 | 155.1 | -64.6 | -48.8 | -57.7 | 0 | 0 | 119 | | |
| 209 | P | 39.3 | Very low | 39 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | | -129.3 | -175.4 | -127.2 | 45.7 | -33.4 | 0 | 0 | 0 | 116.4 | | |
| 210 | D | 32 | Very low | 38.1 | Very low | 150 Ų | 150 | 140 Ų | 140 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | 32.9 | 110.6 | 154.7 | -69.3 | -16.6 | 0 | 0 | 0 | 120 | | |
| 211 | L | 41.6 | Very low | 37.5 | Very low | 163 Ų | 163 | 139 Ų | 139 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | | -159 | 140.2 | 128.7 | -134.7 | 73.7 | 0 | 0 | 0 | 114 | | |
| 212 | S | 34.9 | Very low | 36.8 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | | | trans | 41.5 | 89.6 | 152.1 | 61.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 213 | S | 29 | Very low | 36.5 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | | 28.1 | 98.9 | 126.1 | 60.6 | 0 | 0 | 0 | 0 | 120 | | |
| 214 | S | 33.8 | Very low | 36.3 | Very low | 111 Ų | 111 | 146 Ų | 146 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | -162.7 | 127.9 | 139.6 | -90 | 0 | 0 | 0 | 0 | 114.5 | | |
| 215 | Q | 37.1 | Very low | 35.7 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | | | trans | 33.7 | 113.2 | 144.3 | -50.5 | -176.7 | -7.6 | 0 | 0 | 119.7 | | |
| 216 | V | 32.8 | Very low | 35.3 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 66% | 0.661 | 76% | 0.762 | S | S | * | * | | | | 170.4 | 117.4 | 93.6 | 164.4 | 0 | 0 | 0 | 0 | 109.1 | K218 | V216-K218 HydrophobicContact CG1-CG 4.22Å; V216-K218 PolarHBondContact O-N 3.47Å |
| 217 | N | 32.5 | Very low | 35.4 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | -72.7 | 106.9 | 170.9 | -72 | -17.7 | 0 | 0 | 0 | 110.7 | N219 | N217-N219 PolarHBondContact O-N 2.83Š|
| 218 | K | 35.6 | Very low | 35 | Very low | 192 Ų | 192 | 146.9 Ų | 146.9 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | -82.5 | 65.6 | 172.3 | -70.2 | -178.8 | 179.4 | 172 | 0 | 111.1 | V216 | V216-K218 HydrophobicContact CG1-CG 4.22Å; V216-K218 PolarHBondContact O-N 3.47Å |
| 219 | N | 35.9 | Very low | 34.3 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | | | trans | -66.3 | 137.1 | 179.3 | -77.4 | 2.6 | 0 | 0 | 0 | 111.9 | N217 N221 | N217-N219 PolarHBondContact O-N 2.83Å; N219-N221 PolarHBondContact O-N 3.45Å |
| 220 | V | 33 | Very low | 33.9 | Very low | 140 Ų | 140 | 150 Ų | 150 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | | | trans | -73 | 116.7 | -176.7 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 221 | N | 34.4 | Very low | 34 | Very low | 119 Ų | 119 | 146 Ų | 146 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | | | trans | -146.3 | 68.4 | 172.1 | -169 | 13.3 | 0 | 0 | 0 | 111.8 | N219 R223 | N219-N221 PolarHBondContact O-N 3.45Å; N221-R223 VanDerWaalsContact C-N 3.28Å; N221-R223 PolarHBondContact O-N 2.85Å |
| 222 | C | 31 | Very low | 33.3 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | | | trans | -73.2 | 78.4 | 172.6 | -82 | 0 | 0 | 0 | 0 | 111.3 | | |
| 223 | R | 33.8 | Very low | 33 | Very low | 191 Ų | 191 | 146.7 Ų | 146.7 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | | | trans | -115.4 | 106.2 | 178 | -163.5 | -179.7 | -61.8 | -152.5 | -0.6 | 111.7 | N221 | N221-R223 VanDerWaalsContact C-N 3.28Å; N221-R223 PolarHBondContact O-N 2.85Å |
| 224 | R | 32.2 | Very low | 32.8 | Very low | 190 Ų | 190 | 147.8 Ų | 147.8 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | | | trans | 21.6 | 103 | 159.4 | -69.9 | -175.4 | -94.3 | 143.8 | -11.9 | 117.4 | Y324 | R224-Y324 PolarHBondContact NH1-OH 2.88Å; R224-Y324 VanDerWaalsContact NH1-OH 3.09Å |
| 225 | I | 34.2 | Very low | 32.6 | Very low | 151 Ų | 151 | 147.9 Ų | 147.9 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | | | trans | -159.9 | 130.9 | 135.1 | -93.1 | 138.1 | 0 | 0 | 0 | 107.9 | | |
| 226 | C | 32.2 | Very low | 32.2 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | | | trans | -138.3 | 95.4 | 161.4 | -67 | 0 | 0 | 0 | 0 | 106.8 | | |
| 227 | K | 37.7 | Very low | 32 | Very low | 188 Ų | 188 | 145 Ų | 145 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | | | trans | -90.7 | 150.1 | 163.2 | -72.8 | -177.4 | 174.2 | -175.9 | 0 | 107.7 | | |
| 228 | K | 33.1 | Very low | 31.7 | Very low | 182 Ų | 182 | 144.5 Ų | 144.5 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | trans | -71.5 | 135 | 171.2 | -76 | -172.9 | 170.7 | -166.9 | 0 | 109.9 | | |
| 229 | E | 35 | Very low | 31.3 | Very low | 186 Ų | 186 | 142 Ų | 142 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | | | trans | -130.9 | 130.8 | 149.1 | -68.8 | -178.9 | 174.5 | 0 | 0 | 105.4 | G231 | E229-G231 PolarHBondContact O-N 3.33Š|
| 230 | D | 30.6 | Very low | 31 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | | | trans | -83.2 | 84.6 | -163.8 | -63.6 | -64.9 | 0 | 0 | 0 | 111.7 | | |
| 231 | G | 34.3 | Very low | 30.8 | Very low | 68 Ų | 68 | 136.7 Ų | 136.7 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | trans | -98.1 | 99.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | E229 V233 | E229-G231 PolarHBondContact O-N 3.33Å; G231-V233 PolarHBondContact O-N 2.97Å |
| 232 | T | 25.4 | Very low | 30.9 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | | | trans | -58.4 | 112.6 | -178.2 | -54.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 233 | V | 29 | Very low | 31.1 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 79% | 0.788 | 74% | 0.736 | S | S | * | * | | | trans | -134.2 | 136.5 | 160 | -176 | 0 | 0 | 0 | 0 | 108.8 | G231 V235 | G231-V233 PolarHBondContact O-N 2.97Å; V233-V235 PolarHBondContact O-N 2.7Å |
| 234 | I | 26.2 | Very low | 31 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 70% | 0.697 | 73% | 0.728 | S | S | * | * | | | trans | -74.7 | 126 | -166.6 | -60.8 | 165.4 | 0 | 0 | 0 | 111.1 | N236 | I234-N236 WeakPolarHBondContact CG2-OD1 3.43Š|
| 235 | V | 29.2 | Very low | 31.1 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | | | trans | -117 | 100.1 | 167.2 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | V233 T237 | V233-V235 PolarHBondContact O-N 2.7Å; V235-T237 HydrophobicContact CG1-CG2 4.32Å; V235-T237 PolarHBondContact O-N 3.47Å |
| 236 | N | 28.4 | Very low | 31.2 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 62% | 0.62 | 72% | 0.721 | S | S | * | * | | | trans | -69.1 | 98.6 | 176.1 | -76.2 | 6.9 | 0 | 0 | 0 | 109.8 | I234 D238 | I234-N236 WeakPolarHBondContact CG2-OD1 3.43Å; N236-D238 PolarHBondContact O-N 2.8Å |
| 237 | T | 28 | Very low | 31.4 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | | | trans | -81.1 | 62.8 | 172.5 | 55.5 | 0 | 0 | 0 | 0 | 110.4 | V235 T239 | V235-T237 HydrophobicContact CG1-CG2 4.32Å; V235-T237 PolarHBondContact O-N 3.47Å; T237-T239 PolarHBondContact O-N 3.37Å |
| 238 | D | 27.6 | Very low | 31.3 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | | | trans | -67.2 | 100.8 | 175 | -73 | -42.3 | 0 | 0 | 0 | 109.4 | N236 C240 | N236-D238 PolarHBondContact O-N 2.8Å; D238-C240 PolarHBondContact O-N 3.46Å |
| 239 | T | 27.1 | Very low | 31.6 | Very low | 138 Ų | 138 | 129 Ų | 129 | 85% | 0.847 | 70% | 0.702 | S | S | * | * | | | trans | -75.6 | 63.7 | 178.4 | 42 | 0 | 0 | 0 | 0 | 110.6 | T237 S241 | T237-T239 PolarHBondContact O-N 3.37Å; T239-S241 VanDerWaalsContact C-N 3.32Å; T239-S241 PolarHBondContact O-N 2.91Å |
| 240 | C | 29.3 | Very low | 31.5 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 71% | 0.709 | 70% | 0.695 | S | S | * | * | | | trans | -66.7 | 91.7 | 178.1 | -161 | 0 | 0 | 0 | 0 | 111 | D238 | D238-C240 PolarHBondContact O-N 3.46Š|
| 241 | S | 28.4 | Very low | 31.6 | Very low | 62 Ų | 62 | 128.2 Ų | 128.2 | 43% | 0.434 | 70% | 0.696 | S | S | . | * | | | trans | 25.5 | 120.6 | 162.4 | -71.9 | 0 | 0 | 0 | 0 | 119.6 | T239 K243 | T239-S241 VanDerWaalsContact C-N 3.32Å; T239-S241 PolarHBondContact O-N 2.91Å; S241-K243 PolarHBondContact O-N 3Å |
| 242 | K | 36.6 | Very low | 31.5 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | 34.5 | 158.3 | -142.2 | -174.3 | -152.7 | -175.4 | 0 | 114.3 | H282 | K242-H282 VanDerWaalsContact CE-NE2 3.31Å; K242-H282 WeakPolarHBondContact CE-NE2 3.39Å; K242-H282 PolarHBondContact NZ-CD2 3.23Å; K242-H282 PolarHBondContact NZ-NE2 3.14Å |
| 243 | K | 34.1 | Very low | 31.8 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 66% | 0.657 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.4 | -30.4 | -167.4 | -62.7 | -179.1 | 176.3 | 176.1 | 0 | 114.2 | S241 Y245 F246 | S241-K243 PolarHBondContact O-N 3Å; K243-Y245 PolarHBondContact O-N 2.81Å; K243-F246 PolarHBondContact O-N 3.24Å |
| 244 | D | 33.1 | Very low | 31.9 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 54% | 0.54 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.8 | -7.4 | -166.4 | -60.9 | -23.6 | 0 | 0 | 0 | 114.8 | | |
| 245 | Y | 33.8 | Very low | 32.2 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 77% | 0.765 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -7.5 | 171.9 | -84.7 | -72.5 | 0 | 0 | 0 | 114.6 | K243 | K243-Y245 PolarHBondContact O-N 2.81Š|
| 246 | F | 35.5 | Very low | 32.5 | Very low | 133 Ų | 133 | 137 Ų | 137 | 58% | 0.583 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -100.2 | -13.1 | 177.2 | -111.8 | -91.1 | 0 | 0 | 0 | 114.2 | K243 | K243-F246 PolarHBondContact O-N 3.24Š|
| 247 | S | 36.3 | Very low | 32.7 | Very low | 56 Ų | 56 | 137.4 Ų | 137.4 | 39% | 0.392 | 72% | 0.724 | S | S | . | * | G | 310 helix | trans | -65.4 | -42.8 | -171.9 | -49.9 | 0 | 0 | 0 | 0 | 113.8 | L249 N251 | S247-L249 VanDerWaalsContact C-N 3.27Å; S247-L249 PolarHBondContact O-N 3.13Å; S247-N251 PolarHBondContact O-ND2 3.25Å |
| 248 | D | 36.6 | Very low | 33.1 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 83% | 0.829 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -79.9 | -5.3 | -172.8 | -72.1 | -12.5 | 0 | 0 | 0 | 113.8 | | |
| 249 | L | 39.4 | Very low | 33.3 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -119.2 | 15 | -177.5 | -73.6 | 172 | 0 | 0 | 0 | 114.2 | S247 | S247-L249 VanDerWaalsContact C-N 3.27Å; S247-L249 PolarHBondContact O-N 3.13Å |
| 250 | K | 33.6 | Very low | 33.5 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 73% | 0.726 | 73% | 0.731 | S | S | * | * | | | trans | -140.1 | 34.7 | 176.6 | -144 | 169.1 | -174.5 | 173.9 | 0 | 116.2 | | |
| 251 | N | 31.9 | Very low | 33.5 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | | | trans | -104 | 54 | 171.9 | -86 | -68.9 | 0 | 0 | 0 | 113 | S247 | S247-N251 PolarHBondContact O-ND2 3.25Š|
| 252 | I | 32 | Very low | 33.6 | Very low | 149 Ų | 149 | 146 Ų | 146 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -136.5 | 139.8 | 166.4 | -61.8 | -178.7 | 0 | 0 | 0 | 107.6 | | |
| 253 | S | 31.7 | Very low | 33.6 | Very low | 105 Ų | 105 | 144 Ų | 144 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 82.5 | 151 | -171.2 | -149.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 254 | N | 30.5 | Very low | 33.7 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | | | trans | 71.4 | 50.9 | 167.6 | -55.2 | 15.4 | 0 | 0 | 0 | 117.1 | | |
| 255 | K | 32.8 | Very low | 33.7 | Very low | 202 Ų | 202 | 146 Ų | 146 | 88% | 0.878 | 76% | 0.757 | S | S | * | * | | | trans | -117.5 | 78.2 | 144.7 | -85.7 | -172.1 | 175.6 | 179.5 | 0 | 109.4 | | |
| 256 | D | 35.3 | Very low | 33.7 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | | | trans | -166.3 | 102.2 | 162.3 | -92.9 | -38.5 | 0 | 0 | 0 | 108.3 | | |
| 257 | S | 33 | Very low | 33.7 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | | | trans | -153.2 | 65 | -179.3 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 258 | K | 36 | Very low | 33.7 | Very low | 195 Ų | 195 | 146.4 Ų | 146.4 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | | | trans | -144.7 | 136.9 | 165.4 | -151 | -177.4 | -179.3 | 179.9 | 0 | 110.7 | | |
| 259 | V | 31.7 | Very low | 33.7 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | | | trans | 63.7 | 91.2 | 174.9 | -161.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 260 | N | 32 | Very low | 33.1 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | | | | -163.3 | 169.1 | 108.8 | -98.8 | -47.9 | 0 | 0 | 0 | 110.8 | | |
| 261 | S | 29.5 | Very low | 33 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | -126.5 | -176.9 | -166.8 | 61.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 262 | M | 30.6 | Very low | 32.9 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | trans | 83.8 | 138.3 | 165.6 | -75.9 | 171.8 | 51 | 0 | 0 | 119.5 | | |
| 263 | L | 35.7 | Very low | 32.8 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | | | trans | 69.9 | 118.9 | 167.5 | -55.9 | 165 | 0 | 0 | 0 | 115.1 | | |
| 264 | Q | 37.1 | Very low | 33.1 | Very low | 162 Ų | 162 | 141 Ų | 141 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | | | | 61.7 | 131.3 | 64.4 | -64.8 | 178.2 | -0.8 | 0 | 0 | 112.5 | | |
| 265 | N | 32.3 | Very low | 33.4 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | cis | -171.3 | -177.9 | -13.7 | -123.3 | 29.5 | 0 | 0 | 0 | 107.7 | | |
| 266 | D | 33.6 | Very low | 33.4 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | 72 | 114.7 | 150.1 | -58 | -18.4 | 0 | 0 | 0 | 123.1 | | |
| 267 | T | 35.9 | Very low | 33.3 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | | | | 95 | 93 | 126.2 | -56.3 | 0 | 0 | 0 | 0 | 122.8 | | |
| 268 | V | 36.8 | Very low | 33.2 | Very low | 136 Ų | 136 | 140 Ų | 140 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | | 70.3 | 144.3 | 127.6 | 178 | 0 | 0 | 0 | 0 | 120.8 | | |
| 269 | P | 36.8 | Very low | 33.2 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | | | trans | -122.6 | -175.3 | -165.2 | 44.4 | -30.4 | 0 | 0 | 0 | 115.7 | | |
| 270 | T | 26.3 | Very low | 33.5 | Very low | 122 Ų | 122 | 140 Ų | 140 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | 155.3 | 160.8 | 135.3 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 271 | L | 31.7 | Very low | 33.5 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | | | trans | 77.7 | 145.4 | -179.4 | -55.5 | 153.1 | 0 | 0 | 0 | 115.3 | | |
| 272 | S | 30 | Very low | 34.2 | Very low | 86 Ų | 86 | 141.9 Ų | 141.9 | 60% | 0.601 | 75% | 0.752 | S | S | * | * | | | cis | -170.7 | 141.3 | -20.6 | 52.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 273 | N | 30.6 | Very low | 34.8 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | | | trans | 64.7 | 154.1 | 167.7 | -45.4 | -28.5 | 0 | 0 | 0 | 115.6 | | |
| 274 | Q | 37.1 | Very low | 35.1 | Very low | 152 Ų | 152 | 139 Ų | 139 | 71% | 0.71 | 73% | 0.73 | S | S | * | * | | | cis | -172.5 | 151.3 | 35.3 | -157 | 107.6 | 29 | 0 | 0 | 111.4 | | |
| 275 | N | 36.7 | Very low | 35.5 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | | | trans | 65.2 | 95.7 | 153.9 | -62.7 | -9.4 | 0 | 0 | 0 | 123.9 | | |
| 276 | H | 32.3 | Very low | 35.8 | Very low | 182 Ų | 182 | 130 Ų | 130 | 84% | 0.843 | 69% | 0.694 | S | S | * | * | | | | 48 | 90.4 | 110.6 | -170.3 | -67.8 | 0 | 0 | 0 | 120.5 | | |
| 277 | V | 34.2 | Very low | 35.9 | Very low | 131 Ų | 131 | 126.6 Ų | 126.6 | 79% | 0.794 | 68% | 0.676 | S | S | * | * | | | trans | -164.4 | 87.6 | 145.6 | -102.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 278 | D | 29.8 | Very low | 35.9 | Very low | 174 Ų | 174 | 126 Ų | 126 | 93% | 0.93 | 67% | 0.674 | S | S | * | * | | | trans | -165.8 | 40.2 | 179.8 | -110.5 | -28.4 | 0 | 0 | 0 | 116.7 | | |
| 279 | E | 36.2 | Very low | 36.1 | Very low | 189 Ų | 189 | 124.4 Ų | 124.4 | 88% | 0.883 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -147.8 | 32.2 | -179.1 | -140.5 | -177.1 | 159.4 | 0 | 0 | 119.5 | | |
| 280 | L | 37.4 | Very low | 35.7 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 64% | 0.644 | 66% | 0.657 | S | S | * | * | | | trans | -129.9 | -10.8 | 179 | -76.4 | 172.9 | 0 | 0 | 0 | 118.3 | H282 | L280-H282 VanDerWaalsContact C-N 3.3Å; L280-H282 PolarHBondContact O-N 3.12Å |
| 281 | E | 33.1 | Very low | 35.9 | Very low | 164 Ų | 164 | 125.6 Ų | 125.6 | 77% | 0.766 | 66% | 0.661 | S | S | * | * | | | trans | -82.1 | 41.1 | -170.5 | -61.8 | -153.6 | 130.4 | 0 | 0 | 116.1 | | |
| 282 | H | 43.4 | Very low | 35.9 | Very low | 134 Ų | 134 | 125.4 Ų | 125.4 | 62% | 0.62 | 66% | 0.659 | S | S | * | * | | | trans | -128.3 | 16.8 | -166.2 | -84 | 15 | 0 | 0 | 0 | 116.9 | K242 L280 | K242-H282 VanDerWaalsContact CE-NE2 3.31Å; K242-H282 WeakPolarHBondContact CE-NE2 3.39Å; K242-H282 PolarHBondContact NZ-CD2 3.23Å; K242-H282 PolarHBondContact NZ-NE2 3.14Å; L280-H282 VanDerWaalsContact C-N 3.3Å; L280-H282 PolarHBondContact O-N 3.12Å |
| 283 | R | 43.6 | Very low | 35.9 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 46% | 0.46 | 67% | 0.669 | S | S | . | * | | | trans | -120.8 | -0.1 | -167.3 | -66.4 | -173 | 64.6 | 159.5 | 4.8 | 118.6 | A172 G285 | A172-R283 PolarHBondContact O-NH2 2.8Å; R283-G285 PolarHBondContact O-N 2.68Å |
| 284 | I | 43 | Very low | 35.8 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 55% | 0.549 | 67% | 0.669 | S | S | . | * | | | trans | -87.3 | 102.6 | -178.8 | -58.7 | 178.6 | 0 | 0 | 0 | 110.5 | | |
| 285 | G | 44 | Very low | 35.5 | Very low | 34 Ų | 34 | 123.1 Ų | 123.1 | 35% | 0.351 | 67% | 0.671 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.8 | 122.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T170 R283 | T170-G285 PolarHBondContact N-O 3.29Å; T170-G285 PolarHBondContact OG1-O 2.64Å; T170-G285 VanDerWaalsContact OG1-O 3.14Å; R283-G285 PolarHBondContact O-N 2.68Å |
| 286 | I | 40.4 | Very low | 35.3 | Very low | 71 Ų | 71 | 124.9 Ų | 124.9 | 36% | 0.364 | 68% | 0.675 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.5 | 165.5 | -56.8 | 179.9 | 0 | 0 | 0 | 107.3 | Y169 P288 | Y169-I286 HydrophobicContact CD1-CD1 4.25Å; Y169-I286 HydrophobicContact CD1-CG1 4.08Å; Y169-I286 HydrophobicContact CD1-CG2 4.47Å; Y169-I286 HydrophobicContact CE1-CD1 4.18Å; Y169-I286 HydrophobicContact CE1-CG1 4.45Å; Y169-I286 HydrophobicContact CE1-CG2 4.45Å; I286-P288 WeakPolarHBondContact O-CD 3.34Å |
| 287 | I | 35.2 | Very low | 35.3 | Very low | 66 Ų | 66 | 124 Ų | 124 | 34% | 0.338 | 68% | 0.677 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 113.4 | 177.6 | -56.6 | 177.4 | 0 | 0 | 0 | 108.4 | V168 | V168-I287 PolarHBondContact O-N 3.23Å |
| 288 | P | 36 | Very low | 34.9 | Very low | 108 Ų | 108 | 121.1 Ų | 121.1 | 70% | 0.701 | 67% | 0.673 | S | S | * | * | | | trans | -68.9 | 156.7 | 174 | -15.7 | 31.2 | 0 | 0 | 0 | 111.4 | I286 | I286-P288 WeakPolarHBondContact O-CD 3.34Š|
| 289 | K | 39.4 | Very low | 35 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 44% | 0.443 | 67% | 0.672 | S | S | . | * | | | trans | -116 | 129.9 | 167.7 | -84.2 | 179.4 | 170.8 | 165.6 | 0 | 109.9 | N166 | N166-K289 HydrophobicContact CB-CD 4.04Å; N166-K289 WeakPolarHBondContact O-CD 3.45Å; N166-K289 VanDerWaalsContact O-CE 3.32Å; N166-K289 WeakPolarHBondContact O-CE 3.11Å; N166-K289 PolarHBondContact O-NZ 3.03Å; N166-K289 PolarHBondContact OD1-NZ 3.1Å |
| 290 | T | 29.3 | Very low | 34.5 | Very low | 120 Ų | 120 | 121 Ų | 121 | 74% | 0.736 | 67% | 0.665 | S | S | * | * | | | trans | -79.4 | 139.7 | 165.1 | 43.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 291 | T | 31.5 | Very low | 34.1 | Very low | 137 Ų | 137 | 121.4 Ų | 121.4 | 84% | 0.84 | 67% | 0.673 | S | S | * | * | | | trans | -75.7 | 135.4 | 175.4 | -53 | 0 | 0 | 0 | 0 | 110 | | |
| 292 | I | 30.1 | Very low | 33.9 | Very low | 156 Ų | 156 | 118.5 Ų | 118.5 | 80% | 0.8 | 67% | 0.67 | S | S | * | * | | | trans | -97.3 | 115.3 | 164 | -62 | 177.9 | 0 | 0 | 0 | 107.3 | | |
| 293 | D | 31 | Very low | 32.9 | Very low | 149 Ų | 149 | 121.4 Ų | 121.4 | 80% | 0.797 | 68% | 0.682 | S | S | * | * | | | trans | -84.8 | 151.5 | 169.9 | -169.2 | 17.9 | 0 | 0 | 0 | 110.8 | G295 | D293-G295 PolarHBondContact O-N 3.27Š|
| 294 | S | 27.7 | Very low | 32.3 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 76% | 0.755 | 70% | 0.7 | S | S | * | * | | | trans | -94.4 | 64.8 | -166.8 | -62.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 295 | G | 31.1 | Very low | 31.6 | Very low | 74 Ų | 74 | 123.3 Ų | 123.3 | 76% | 0.763 | 71% | 0.71 | S | S | * | * | | | trans | -73.9 | 122.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D293 | D293-G295 PolarHBondContact O-N 3.27Š|
| 296 | Q | 32.6 | Very low | 31.1 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | | | trans | -83.2 | 173.9 | 172.1 | -64.5 | -176.8 | -4 | 0 | 0 | 112.1 | | |
| 297 | N | 32.8 | Very low | 30.5 | Very low | 165 Ų | 165 | 132.1 Ų | 132.1 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | | | trans | 80.5 | 130.7 | -179.6 | -43.7 | -53.4 | 0 | 0 | 0 | 114.9 | | |
| 298 | G | 26.3 | Very low | 30.2 | Very low | 69 Ų | 69 | 133.6 Ų | 133.6 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | cis | 133.8 | 61.6 | -9.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 299 | R | 30 | Very low | 30 | Very low | 241 Ų | 241 | 137.5 Ų | 137.5 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | | | trans | -163.1 | 149.8 | 153.8 | -113.7 | 161.1 | -175.1 | 174.3 | 0.9 | 113.8 | | |
| 300 | T | 26.4 | Very low | 29.5 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | -39 | 165 | 154.4 | 24.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 301 | V | 28.6 | Very low | 29.6 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | cis | -157.6 | 164.5 | 44.1 | -142.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 302 | S | 28.8 | Very low | 29.4 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | | | trans | 78.1 | 109 | 148 | -143.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 303 | F | 22.9 | Very low | 29.5 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | trans | -75.6 | 156.9 | 150.7 | -70.8 | -107.5 | 0 | 0 | 0 | 110.3 | | |
| 304 | C | 32.4 | Very low | 29.4 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | -148.2 | 131.4 | 150.2 | -88.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 305 | N | 27.5 | Very low | 29.3 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | trans | -94.3 | 144.2 | 168.4 | -66.6 | -43 | 0 | 0 | 0 | 109.8 | | |
| 306 | N | 34.2 | Very low | 29.3 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | trans | -175.7 | 119.3 | 141.8 | -89.9 | -32.3 | 0 | 0 | 0 | 107.5 | | |
| 307 | I | 27.2 | Very low | 29.2 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | | | | 77.5 | 102.5 | 75.1 | -74.6 | -179.7 | 0 | 0 | 0 | 113 | | |
| 308 | S | 27.7 | Very low | 29.2 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | | | trans | 61.6 | 146 | 144.7 | -58.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 309 | Q | 31.9 | Very low | 29.3 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | | | trans | 72.8 | 148 | 178.9 | -43.4 | 173.3 | 47.9 | 0 | 0 | 111.7 | | |
| 310 | V | 30.4 | Very low | 29.4 | Very low | 135 Ų | 135 | 143 Ų | 143 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | cis | -129.8 | 167.3 | 14.5 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 311 | T | 30.1 | Very low | 29.5 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | | | trans | -94.9 | 166.3 | -178.5 | 44.9 | 0 | 0 | 0 | 0 | 115 | | |
| 312 | N | 27 | Very low | 29.7 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 78% | 0.775 | 82% | 0.815 | S | S | * | * | | | trans | 57.3 | 102.4 | 156.6 | -63 | -13.8 | 0 | 0 | 0 | 120 | | |
| 313 | I | 32.9 | Very low | 29.6 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 91% | 0.913 | 82% | 0.819 | S | S | * | * | | | trans | -129.9 | 147.3 | 136.7 | -63.4 | -174.6 | 0 | 0 | 0 | 108.1 | | |
| 314 | S | 29.3 | Very low | 30 | Very low | 94 Ų | 94 | 147 Ų | 147 | 66% | 0.657 | 81% | 0.81 | S | S | * | * | | | trans | -102.5 | 166.9 | -156.9 | -41.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 315 | N | 26.3 | Very low | 30 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | trans | 63.1 | 93.4 | 150.1 | -57.4 | -10.6 | 0 | 0 | 0 | 118.9 | | |
| 316 | S | 29.3 | Very low | 30.1 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | | | trans | -139.7 | 135.6 | 140.9 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 317 | S | 31.9 | Very low | 30.1 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | | | trans | -106.6 | 39.5 | -149.2 | 57.7 | 0 | 0 | 0 | 0 | 116 | | |
| 318 | E | 31.8 | Very low | 30.2 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -143.1 | 30.4 | -179.3 | -144.3 | 166.4 | -165.1 | 0 | 0 | 116.5 | | |
| 319 | C | 28.7 | Very low | 30.4 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 89% | 0.892 | 81% | 0.808 | S | S | * | * | | | trans | -128.6 | 84.3 | 174.6 | -82.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 320 | K | 31.7 | Very low | 30.5 | Very low | 205 Ų | 205 | 140.1 Ų | 140.1 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | | | trans | -93.4 | 131.6 | 172.9 | -78 | -178.6 | 178.2 | 173.4 | 0 | 111.9 | | |
| 321 | K | 29.3 | Very low | 30.5 | Very low | 200 Ų | 200 | 139.9 Ų | 139.9 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | | | trans | 66.2 | 73.9 | 165.1 | -58.3 | -176.1 | 179.1 | -177.6 | 0 | 118.4 | | |
| 322 | V | 31.9 | Very low | 30.8 | Very low | 133 Ų | 133 | 140 Ų | 140 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | | | trans | -135 | 115.2 | 131.3 | -177 | 0 | 0 | 0 | 0 | 108.6 | | |
| 323 | V | 28.4 | Very low | 30.9 | Very low | 135 Ų | 135 | 138 Ų | 138 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -110.1 | 130.2 | 167.2 | 177.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 324 | Y | 29.5 | Very low | 31.1 | Very low | 166 Ų | 166 | 138 Ų | 138 | 65% | 0.651 | 80% | 0.801 | S | S | * | * | | | trans | -129.4 | 107.9 | -178.2 | -147.7 | -73.4 | 0 | 0 | 0 | 109.4 | R224 | R224-Y324 PolarHBondContact NH1-OH 2.88Å; R224-Y324 VanDerWaalsContact NH1-OH 3.09Å |
| 325 | V | 32.4 | Very low | 31.1 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 67% | 0.667 | 81% | 0.808 | S | S | * | * | | | trans | -86.7 | 123.1 | 177.1 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | V327 | V325-V327 PolarHBondContact O-N 2.83Š|
| 326 | P | 31.3 | Very low | 31.3 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | | | trans | -81.4 | 118.1 | 176.1 | 31.3 | -31.4 | 0 | 0 | 0 | 110.5 | | |
| 327 | V | 32.2 | Very low | 31 | Very low | 124 Ų | 124 | 142 Ų | 142 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | | | trans | -107.1 | 114.8 | 165.9 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | V325 V329 | V325-V327 PolarHBondContact O-N 2.83Å; V327-V329 HydrophobicContact CG1-CG2 4.29Å |
| 328 | S | 30 | Very low | 30.9 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -88.8 | 129.9 | 174.1 | 53.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 329 | V | 32.9 | Very low | 30.5 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | -127.7 | 121.8 | 169.8 | -169 | 0 | 0 | 0 | 0 | 108.4 | V327 | V327-V329 HydrophobicContact CG1-CG2 4.29Š|
| 330 | S | 32.6 | Very low | 30.8 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -92.8 | 124.9 | -177.2 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | S332 | S330-S332 PolarHBondContact O-N 3.37Š|
| 331 | P | 31.2 | Very low | 30.9 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | | | trans | -83.5 | 101.7 | 173.9 | 31.9 | -31.4 | 0 | 0 | 0 | 110.9 | | |
| 332 | S | 35.5 | Very low | 31.2 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | | | trans | -90.2 | 110.6 | 172 | 54.2 | 0 | 0 | 0 | 0 | 111.1 | S330 | S330-S332 PolarHBondContact O-N 3.37Š|
| 333 | S | 30.6 | Very low | 31.5 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -94.4 | 110.8 | -178.5 | 55.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 334 | Q | 36 | Very low | 32 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | trans | -163.2 | 120.2 | 156.5 | -99.5 | 137.5 | 91.9 | 0 | 0 | 105.7 | | |
| 335 | N | 29.4 | Very low | 32.3 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | | | | 70.6 | 133.3 | 73.7 | -78 | -13.2 | 0 | 0 | 0 | 114.3 | | |
| 336 | V | 30.2 | Very low | 32.4 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | | | trans | 78.2 | 139.9 | 174 | -161 | 0 | 0 | 0 | 0 | 116.2 | | |
| 337 | L | 24.6 | Very low | 32.3 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | | | trans | -84.6 | 134.5 | -178.2 | -65.7 | 152.8 | 0 | 0 | 0 | 112 | | |
| 338 | S | 28 | Very low | 32.1 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | | | trans | -165.5 | 152.4 | 148.7 | 51.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 339 | L | 24.3 | Very low | 32.1 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | | | trans | -112.4 | 117.8 | 177.8 | -74.1 | 166.3 | 0 | 0 | 0 | 109.7 | | |
| 340 | T | 35 | Very low | 31.7 | Very low | 129 Ų | 129 | 134 Ų | 134 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | | | trans | -144.3 | 92.5 | 171.5 | 44.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 341 | P | 33.8 | Very low | 31.6 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | trans | -99.4 | 113.4 | 176.4 | 34.4 | -27.9 | 0 | 0 | 0 | 112.4 | | |
| 342 | L | 35.8 | Very low | 31.5 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 88% | 0.88 | 82% | 0.817 | S | S | * | * | | | trans | -146.1 | 140.3 | 173.2 | -71.4 | 174.3 | 0 | 0 | 0 | 110 | | |
| 343 | S | 38.8 | Very low | 31.3 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | | | cis | -152.9 | 160.2 | -9.8 | 52.2 | 0 | 0 | 0 | 0 | 111 | | |
| 344 | P | 37.8 | Very low | 31.9 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 84% | 0.844 | 82% | 0.816 | S | S | * | * | | | trans | -109.7 | 159.4 | -165.8 | 39.9 | -33.9 | 0 | 0 | 0 | 115.8 | | |
| 345 | S | 35.3 | Very low | 31.6 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | | | trans | -150.1 | 134.6 | 155 | 48.8 | 0 | 0 | 0 | 0 | 107 | | |
| 346 | L | 34.4 | Very low | 31.7 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | | | cis | -122.1 | 143.4 | 10.3 | -55.4 | 153.4 | 0 | 0 | 0 | 107.7 | | |
| 347 | L | 30.3 | Very low | 31.4 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | | | | 62.8 | 114.2 | 50.9 | -162.9 | 156.6 | 0 | 0 | 0 | 111 | | |
| 348 | L | 27.4 | Very low | 31.4 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | | | cis | -154.8 | 173.1 | -2.6 | -148.5 | 54.2 | 0 | 0 | 0 | 105.9 | | |
| 349 | T | 29.5 | Very low | 31.3 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | | | cis | -156 | 167.5 | 21.1 | -47 | 0 | 0 | 0 | 0 | 109.6 | | |
| 350 | A | 25 | Very low | 31.6 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | -131.9 | 152.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 351 | Q | 31.5 | Very low | 31.6 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | -143.8 | 118.2 | 172.4 | -167.2 | 164.4 | -29.8 | 0 | 0 | 111.3 | | |
| 352 | M | 27.8 | Very low | 31.4 | Very low | 189 Ų | 189 | 141 Ų | 141 | 93% | 0.931 | 80% | 0.797 | S | S | * | * | | | trans | -95.6 | 135 | 176.1 | -73.4 | -82.9 | -75.7 | 0 | 0 | 109.8 | | |
| 353 | A | 32.9 | Very low | 31.3 | Very low | 82 Ų | 82 | 138.9 Ų | 138.9 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | | | trans | -153.2 | 150 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 354 | T | 42.2 | Very low | 31 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | | | trans | 54.4 | 104.5 | 165.6 | 52.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 355 | N | 29.8 | Very low | 30.9 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | | | trans | -55.7 | 166.8 | 149.9 | -46 | -78.1 | 0 | 0 | 0 | 111.7 | | |
| 356 | Q | 32.2 | Very low | 31 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | 115.9 | 119.4 | 160.2 | -61.8 | -78.6 | 24.4 | 0 | 0 | 116.2 | | |
| 357 | L | 23.7 | Very low | 31 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 73% | 0.728 | 78% | 0.78 | S | S | * | * | | | trans | 11.7 | 132.9 | 148.5 | -72.2 | 159.8 | 0 | 0 | 0 | 121.8 | | |
| 358 | L | 25 | Very low | 31 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | 61.6 | 116.7 | 143.2 | -70.1 | 168.5 | 0 | 0 | 0 | 119.5 | | |
| 359 | L | 25.7 | Very low | 31.2 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | | | | -156.1 | 141.9 | 121.2 | -133.6 | 69 | 0 | 0 | 0 | 110.8 | | |
| 360 | V | 30.5 | Very low | 31.1 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | | | trans | -109.3 | 123.7 | 178.3 | 173.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 361 | P | 35 | Very low | 31.6 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | -74.8 | 128.3 | 161.8 | -10.5 | 27.7 | 0 | 0 | 0 | 109.5 | | |
| 362 | Q | 30.2 | Very low | 31.8 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | -117.9 | 165 | -168.9 | -168.3 | -171.3 | -22.7 | 0 | 0 | 110.9 | | |
| 363 | L | 32.8 | Very low | 32.3 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | | | trans | 99.2 | 111.7 | 156.8 | -54.4 | 172 | 0 | 0 | 0 | 118.8 | | |
| 364 | N | 32.2 | Very low | 32.3 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | | | | 68.8 | 139.7 | 127.3 | -54.3 | -4.3 | 0 | 0 | 0 | 118.9 | | |
| 365 | S | 35.7 | Very low | 31.9 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | cis | -152.2 | 163.4 | 29.5 | 37.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 366 | I | 37.3 | Very low | 31.8 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | | | trans | -123.8 | 156.8 | 175.5 | -19.2 | 176.4 | 0 | 0 | 0 | 108.1 | | |
| 367 | P | 35.6 | Very low | 31.9 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | | | | -139.6 | 147.8 | 90.4 | 33.8 | -17.6 | 0 | 0 | 0 | 113.8 | | |
| 368 | Y | 28.7 | Very low | 32 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | | | | 77.4 | 111.3 | 55.5 | -113.7 | -75.4 | 0 | 0 | 0 | 115.8 | T370 | Y368-T370 HydrophobicContact CD1-CG2 4.1Å; Y368-T370 HydrophobicContact CE1-CG2 3.78Å |
| 369 | V | 32.3 | Very low | 32.5 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | | | trans | -143 | 128.2 | 149 | -179.6 | 0 | 0 | 0 | 0 | 108 | | |
| 370 | T | 27.5 | Very low | 32.7 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | | | trans | -152 | 145.7 | 176.4 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | Y368 | Y368-T370 HydrophobicContact CD1-CG2 4.1Å; Y368-T370 HydrophobicContact CE1-CG2 3.78Å |
| 371 | S | 36.1 | Very low | 32.9 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -149.4 | 107.8 | 170 | 52 | 0 | 0 | 0 | 0 | 107.8 | | |
| 372 | S | 35.4 | Very low | 32.9 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | | 61.1 | 131.9 | 92.1 | 70 | 0 | 0 | 0 | 0 | 113.7 | | |
| 373 | S | 36.7 | Very low | 33 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | | | cis | -174.8 | 162.5 | 0.1 | 37.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 374 | G | 34.8 | Very low | 33.2 | Very low | 64 Ų | 64 | 126.8 Ų | 126.8 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | | | cis | 168.8 | -169.8 | -0.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 375 | N | 32.9 | Very low | 33.3 | Very low | 171 Ų | 171 | 128.1 Ų | 128.1 | 91% | 0.914 | 78% | 0.775 | S | S | * | * | | | trans | 73.2 | 143.9 | 168.3 | -64.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 376 | V | 28.2 | Very low | 33.2 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | | | trans | -139.7 | 146.8 | -175.2 | 171.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 377 | S | 34.1 | Very low | 32.9 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | -151.7 | 120.8 | 164.8 | 57.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 378 | N | 26.2 | Very low | 32.7 | Very low | 155 Ų | 155 | 127.8 Ų | 127.8 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | | | trans | -103.5 | 128.1 | 176.6 | -72.8 | -29.3 | 0 | 0 | 0 | 111.3 | | |
| 379 | S | 34.6 | Very low | 33 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -167.2 | 109.3 | 156.4 | 43.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 380 | S | 30.4 | Very low | 32.9 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | | | | 63.9 | 103.7 | 71.8 | 76.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 381 | L | 35.3 | Very low | 33.2 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | | | | -174.3 | 132.2 | 126.7 | -120.1 | 66.4 | 0 | 0 | 0 | 113.6 | | |
| 382 | N | 34.8 | Very low | 32.8 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | 66.9 | 142.9 | 147.1 | -58.7 | -11.3 | 0 | 0 | 0 | 123.4 | | |
| 383 | T | 32.2 | Very low | 32.7 | Very low | 134 Ų | 134 | 140 Ų | 140 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | -117.9 | -165.4 | 174.4 | 59.6 | 0 | 0 | 0 | 0 | 108 | | |
| 384 | P | 36.5 | Very low | 32.3 | Very low | 105 Ų | 105 | 141 Ų | 141 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | | | cis | -138 | -171.3 | -5.9 | 39.8 | -19.6 | 0 | 0 | 0 | 115.6 | | |
| 385 | M | 33.5 | Very low | 32 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | | | trans | 64.7 | 124.6 | 160.1 | -61.3 | -156 | 75.7 | 0 | 0 | 118.3 | | |
| 386 | S | 34.6 | Very low | 31.8 | Very low | 97 Ų | 97 | 142 Ų | 142 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | | | cis | -177.4 | 159.8 | 37.1 | 45.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 387 | N | 29.8 | Very low | 32 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | 32.4 | 102.6 | 154.7 | -57.8 | -4.2 | 0 | 0 | 0 | 120.6 | | |
| 388 | S | 31 | Very low | 31.6 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | | 176.9 | 174.3 | 102.5 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 389 | Y | 35.3 | Very low | 31.9 | Very low | 227 Ų | 227 | 144.4 Ų | 144.4 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -53 | 147.1 | -165.5 | -81.1 | -103.8 | 0 | 0 | 0 | 117.1 | | |
| 390 | N | 31.4 | Very low | 31.7 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 130.2 | -176.7 | -74.3 | -38.6 | 0 | 0 | 0 | 114.8 | | |
| 391 | P | 33.6 | Very low | 31.9 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 163.6 | 160.1 | 36.7 | -32.9 | 0 | 0 | 0 | 112.4 | | |
| 392 | Y | 28.3 | Very low | 31.8 | Very low | 227 Ų | 227 | 145.4 Ų | 145.4 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72 | 130 | 161.3 | -80.5 | -111.6 | 0 | 0 | 0 | 110.4 | | |
| 393 | L | 31.5 | Very low | 31.7 | Very low | 162 Ų | 162 | 147 Ų | 147 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | | | | -168.3 | 147 | 128.8 | -133.8 | 73.2 | 0 | 0 | 0 | 115 | | |
| 394 | M | 29 | Very low | 31.6 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 71% | 0.709 | 80% | 0.804 | S | S | * | * | | | trans | 11.2 | 126.8 | 152.4 | -75.6 | -76.9 | 104.3 | 0 | 0 | 121.3 | F396 | M394-F396 HydrophobicContact SD-CZ 4.5Š|
| 395 | G | 29.3 | Very low | 31.5 | Very low | 74 Ų | 74 | 144.6 Ų | 144.6 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | -139.9 | 129.3 | 149.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 396 | F | 28 | Very low | 31.6 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | | | trans | -86.3 | 156.9 | -175.7 | -60.6 | -97.5 | 0 | 0 | 0 | 112.4 | M394 | M394-F396 HydrophobicContact SD-CZ 4.5Š|
| 397 | L | 32.5 | Very low | 31.6 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 96% | 0.958 | 82% | 0.82 | S | S | * | * | | | | -166.6 | 156.9 | 127.4 | -103.6 | 158.9 | 0 | 0 | 0 | 111.1 | | |
| 398 | N | 26.1 | Very low | 31.5 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | | | trans | -122.5 | 139.4 | -171.4 | -178.8 | 27.8 | 0 | 0 | 0 | 110.4 | | |
| 399 | V | 33 | Very low | 31.6 | Very low | 138 Ų | 138 | 148.8 Ų | 148.8 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | | | trans | -138.6 | 113 | 173.3 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 400 | S | 29.5 | Very low | 31.5 | Very low | 85 Ų | 85 | 143 Ų | 143 | 59% | 0.594 | 81% | 0.809 | S | S | * | * | | | trans | -80.6 | 150.1 | 178.8 | -50.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 401 | T | 35.8 | Very low | 31.6 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | | | trans | -119.9 | 134.1 | 149.6 | 47.5 | 0 | 0 | 0 | 0 | 109 | | |
| 402 | N | 33.1 | Very low | 31.5 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | | | trans | -88.9 | 117.6 | -171 | -64.1 | -31.4 | 0 | 0 | 0 | 111.1 | | |
| 403 | N | 32.7 | Very low | 31.7 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 95% | 0.947 | 81% | 0.808 | S | S | * | * | | | trans | -104.3 | 100.7 | 156.2 | -84.2 | -9.6 | 0 | 0 | 0 | 107.8 | | |
| 404 | G | 30 | Very low | 31.8 | Very low | 74 Ų | 74 | 137.3 Ų | 137.3 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | | | trans | -163.1 | 60.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 405 | S | 34.5 | Very low | 32.1 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -157.7 | 76.4 | 178.4 | 56.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 406 | S | 34.7 | Very low | 32.3 | Very low | 126 Ų | 126 | 143 Ų | 143 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | | | trans | -145.3 | 90.2 | 162.1 | -54.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 407 | E | 34.1 | Very low | 32.7 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | trans | -72.8 | 132.4 | 177.4 | -66.5 | -176.6 | 131.8 | 0 | 0 | 110.8 | L409 | E407-L409 PolarHBondContact O-N 2.95Š|
| 408 | I | 28.6 | Very low | 33 | Very low | 155 Ų | 155 | 135 Ų | 135 | 80% | 0.795 | 79% | 0.791 | S | S | * | * | | | trans | 23.9 | 98.9 | 137.7 | -47.4 | 173.3 | 0 | 0 | 0 | 115.4 | | |
| 409 | L | 33.4 | Very low | 33.5 | Very low | 168 Ų | 168 | 136 Ų | 136 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | | | trans | -146 | 130.5 | 135.6 | -114.5 | 170.6 | 0 | 0 | 0 | 110.4 | E407 | E407-L409 PolarHBondContact O-N 2.95Š|
| 410 | T | 33.4 | Very low | 33.7 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 64% | 0.644 | 80% | 0.795 | S | S | * | * | | | trans | -79.2 | 138.2 | -174.6 | 47.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 411 | N | 33.4 | Very low | 34.3 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | | -173.2 | 141.5 | 110.7 | -88 | -22.7 | 0 | 0 | 0 | 112 | | |
| 412 | C | 30.4 | Very low | 34.3 | Very low | 125 Ų | 125 | 137 Ų | 137 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | | | trans | -93.4 | 145.2 | 178.1 | -53.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 413 | V | 32.3 | Very low | 34.6 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | trans | -140.8 | 104 | 162.7 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 414 | T | 34.1 | Very low | 34.8 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | trans | -152.6 | 114.2 | 154.9 | 17.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 415 | K | 34.4 | Very low | 34.9 | Very low | 171 Ų | 171 | 137 Ų | 137 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | trans | 72.9 | 146.1 | 155.8 | -67.4 | -176.3 | 160.1 | -159.9 | 0 | 121 | | |
| 416 | E | 33.8 | Very low | 35.2 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | 65.6 | 137.5 | 159.2 | -69.9 | 147.9 | -129.5 | 0 | 0 | 116.4 | | |
| 417 | S | 36.6 | Very low | 35.1 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | | | cis | -165.7 | 165.4 | -9.6 | 53.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 418 | S | 38.4 | Very low | 35.3 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | 63.3 | 155.9 | 172.7 | 8.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 419 | D | 37.9 | Very low | 35.7 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | | | cis | -151.6 | 177 | -4.5 | -113.3 | -32.6 | 0 | 0 | 0 | 112.4 | | |
| 420 | F | 37.5 | Very low | 35.9 | Very low | 190 Ų | 190 | 135.1 Ų | 135.1 | 83% | 0.833 | 77% | 0.772 | S | S | * | * | | | trans | -75.3 | 179 | 179.8 | -89.3 | -120.9 | 0 | 0 | 0 | 114.2 | | |
| 421 | P | 40.4 | Very low | 36.1 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | | | cis | -147.9 | -176.1 | -42 | 42 | -23.9 | 0 | 0 | 0 | 116.8 | | |
| 422 | S | 37.5 | Very low | 36 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | | | trans | 102.8 | 144.7 | 131 | 78.9 | 0 | 0 | 0 | 0 | 124.1 | | |
| 423 | Q | 39.4 | Very low | 36.4 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | | | trans | 68.7 | 152.9 | 164.1 | -41.3 | -158.1 | 26.7 | 0 | 0 | 117.3 | | |
| 424 | S | 35.5 | Very low | 36.6 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | cis | -142.7 | 167.3 | 4.5 | 57.6 | 0 | 0 | 0 | 0 | 113 | | |
| 425 | S | 32.8 | Very low | 37 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | | | trans | -101.6 | 157.8 | -176.5 | 57.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 426 | T | 40.9 | Very low | 37.1 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | | | trans | -152.1 | 156.3 | 143.4 | 19.6 | 0 | 0 | 0 | 0 | 111 | | |
| 427 | N | 31.6 | Very low | 37.6 | Very low | 148 Ų | 148 | 138 Ų | 138 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | trans | -123 | 158.7 | -175.3 | -50.6 | -71.8 | 0 | 0 | 0 | 111 | | |
| 428 | E | 40 | Very low | 37.7 | Very low | 192 Ų | 192 | 138.8 Ų | 138.8 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | | | trans | 170.2 | 164.7 | 142.5 | -98.1 | 168.3 | -167.1 | 0 | 0 | 109 | | |
| 429 | S | 35.2 | Very low | 37.6 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | | -175.8 | 178 | -71 | 60.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 430 | V | 39.3 | Very low | 37.8 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | | | trans | 76.5 | 141.8 | 172.4 | -178 | 0 | 0 | 0 | 0 | 116.8 | | |
| 431 | T | 37.1 | Very low | 38.3 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 68% | 0.681 | 80% | 0.795 | S | S | * | * | | | cis | -165 | 142.1 | -29.7 | -85.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 432 | N | 30.9 | Very low | 38.2 | Very low | 142 Ų | 142 | 145.5 Ų | 145.5 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | | | trans | 7.5 | 131.3 | 159.2 | -52.7 | -23.4 | 0 | 0 | 0 | 123.6 | | |
| 433 | Q | 37.9 | Very low | 38.8 | Very low | 186 Ų | 186 | 149.8 Ų | 149.8 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | | | | -164.2 | 126.4 | 126.2 | -101 | 175 | 17.5 | 0 | 0 | 107.2 | | |
| 434 | V | 37.1 | Very low | 39.6 | Very low | 118 Ų | 118 | 150 Ų | 150 | 72% | 0.715 | 81% | 0.812 | S | S | * | * | | | cis | 79.1 | 91.2 | 49.4 | -177.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 435 | M | 42.3 | Very low | 40.8 | Very low | 177 Ų | 177 | 149.7 Ų | 149.7 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | | | | -170.5 | 141.4 | 126.7 | -109.1 | 177.7 | -74.8 | 0 | 0 | 112.7 | | |
| 436 | N | 36 | Very low | 42.7 | Very low | 151 Ų | 151 | 150.5 Ų | 150.5 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | | | trans | -94.6 | 158.2 | 166.8 | -71.2 | -43.6 | 0 | 0 | 0 | 109.9 | | |
| 437 | N | 44.3 | Very low | 43.6 | Very low | 169 Ų | 169 | 155.1 Ų | 155.1 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | | | trans | -163.7 | 148.1 | 136.9 | -99.7 | -35.1 | 0 | 0 | 0 | 111.8 | | |
| 438 | S | 38.7 | Very low | 44.2 | Very low | 113 Ų | 113 | 155.5 Ų | 155.5 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | | | trans | -113.8 | 150.5 | -174.8 | -53.9 | 0 | 0 | 0 | 0 | 112 | | |
| 439 | C | 38 | Very low | 44.4 | Very low | 134 Ų | 134 | 153.6 Ų | 153.6 | 91% | 0.905 | 83% | 0.828 | S | S | * | * | | | trans | -130.4 | 136.4 | 156.6 | -94.4 | 0 | 0 | 0 | 0 | 110 | | |
| 440 | K | 40.8 | Very low | 44.9 | Very low | 177 Ų | 177 | 156.9 Ų | 156.9 | 77% | 0.77 | 84% | 0.838 | S | S | * | * | | | trans | -107.8 | 147.5 | 177.1 | -65.8 | 176.2 | 177.9 | 175.4 | 0 | 109.9 | | |
| 441 | Y | 48 | Very low | 45.3 | Very low | 231 Ų | 231 | 158.4 Ų | 158.4 | 91% | 0.906 | 84% | 0.84 | S | S | * | * | | | trans | -138.1 | 138.2 | 144.1 | -81.9 | -73.4 | 0 | 0 | 0 | 109.9 | | |
| 442 | N | 38.6 | Very low | 45.8 | Very low | 143 Ų | 143 | 161.4 Ų | 161.4 | 77% | 0.765 | 85% | 0.85 | S | S | * | * | | | trans | -106.5 | 144.8 | 176.4 | -76.8 | -46.5 | 0 | 0 | 0 | 109.4 | | |
| 443 | L | 50.9 | Low | 46.8 | Very low | 185 Ų | 185 | 162.7 Ų | 162.7 | 97% | 0.969 | 86% | 0.856 | S | S | * | * | | | trans | -150.9 | 143.6 | 150.2 | -96.5 | 128.5 | 0 | 0 | 0 | 108.7 | | |
| 444 | K | 55 | Low | 47.4 | Very low | 192 Ų | 192 | 161 Ų | 161 | 84% | 0.835 | 86% | 0.855 | S | S | * | * | | | trans | -136.1 | 139 | -179.8 | -173.9 | -170.5 | 176 | -165.2 | 0 | 107.8 | | |
| 445 | P | 61.1 | Low | 48.2 | Very low | 109 Ų | 109 | 164.3 Ų | 164.3 | 71% | 0.708 | 87% | 0.866 | S | S | * | * | | | trans | -70.2 | 157.4 | 176.3 | 30.3 | -36.1 | 0 | 0 | 0 | 112.1 | | |
| 446 | P | 73.5 | Confident | 48.7 | Very low | 114 Ų | 114 | 163.3 Ų | 163.3 | 74% | 0.74 | 87% | 0.866 | S | S | * | * | | | trans | -79.4 | 154.3 | 173.2 | 34.4 | -34.9 | 0 | 0 | 0 | 112.6 | | |
| 447 | D | 59 | Low | 49.8 | Very low | 241 Ų | 241 | 164.4 Ų | 164.4 | 100% | 1.289 | 87% | 0.871 | S | S | * | * | | | trans | 37.5 | 0 | 158.5 | -53.1 | -5.6 | 0 | 0 | 0 | 119.3 | | |