| 1 | M | 46.8 | Very low | 52.6 | Low | 238 Ų | 238 | 155.2 Ų | 155.2 | 100% | 1.172 | 80% | 0.795 | S | S | * | * | | | | 0 | 148.1 | 0 | -61 | 67.5 | 165.8 | 0 | 0 | 107.3 | | |
| 2 | A | 52.2 | Low | 52.5 | Low | 89 Ų | 89 | 154.5 Ų | 154.5 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | cis | 177.9 | 114 | -26.2 | 0 | 0 | 0 | 0 | 0 | 105.3 | P4 | A2-P4 WeakPolarHBondContact O-CD 3.22Š|
| 3 | D | 51.9 | Low | 52.1 | Low | 168 Ų | 168 | 152.8 Ų | 152.8 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | | | trans | -71.4 | 137.7 | 175.2 | -72.3 | -51.5 | 0 | 0 | 0 | 111.2 | | |
| 4 | P | 70.1 | Confident | 52.1 | Low | 118 Ų | 118 | 155.6 Ų | 155.6 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | | | trans | -106.7 | 103.9 | 159.1 | 33.4 | -21.9 | 0 | 0 | 0 | 110.4 | A2 | A2-P4 WeakPolarHBondContact O-CD 3.22Š|
| 5 | R | 43.5 | Very low | 51.9 | Low | 209 Ų | 209 | 151.2 Ų | 151.2 | 79% | 0.789 | 79% | 0.785 | S | S | * | * | | | trans | -68.2 | 137.9 | 153 | -88.9 | 176.5 | 153.8 | -117 | 0.9 | 108.9 | | |
| 6 | Q | 55.7 | Low | 51.6 | Low | 170 Ų | 170 | 145.6 Ų | 145.6 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | | | trans | -156.7 | 160.9 | 142.9 | -118.3 | 151 | 105.1 | 0 | 0 | 110.9 | F8 | Q6-F8 HydrophobicContact CG-CE2 4.07Š|
| 7 | E | 44.4 | Very low | 51 | Low | 151 Ų | 151 | 145.1 Ų | 145.1 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | trans | -106.4 | -139.3 | -166.1 | -65.2 | 165.8 | 145.6 | 0 | 0 | 109.7 | | |
| 8 | F | 50.6 | Low | 50.6 | Low | 152 Ų | 152 | 150.1 Ų | 150.1 | 67% | 0.667 | 78% | 0.781 | S | S | * | * | | | trans | 90.2 | 77.7 | 172.4 | -44.7 | -56.6 | 0 | 0 | 0 | 118 | Q6 | Q6-F8 HydrophobicContact CG-CE2 4.07Š|
| 9 | D | 47.6 | Very low | 50.6 | Low | 136 Ų | 136 | 148.6 Ų | 148.6 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | | 71 | 121.3 | 112.8 | -72.1 | -57.1 | 0 | 0 | 0 | 122.6 | | |
| 10 | T | 52.8 | Low | 50.3 | Low | 110 Ų | 110 | 149.5 Ų | 149.5 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | | | trans | 60.9 | 120 | 135.5 | -34.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 11 | M | 62.7 | Low | 50.3 | Low | 166 Ų | 166 | 149.4 Ų | 149.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | | -173.8 | 167.5 | 105.5 | -94.7 | -177 | 168.5 | 0 | 0 | 114.5 | | |
| 12 | E | 51.8 | Low | 50.3 | Low | 147 Ų | 147 | 144.6 Ų | 144.6 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | | | trans | -24.6 | 120.8 | -166.2 | -86.2 | 83 | 140.2 | 0 | 0 | 121.9 | | |
| 13 | D | 47.6 | Very low | 50.2 | Low | 132 Ų | 132 | 146.2 Ų | 146.2 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | | 45.8 | 106.6 | 107 | -175.1 | 25.7 | 0 | 0 | 0 | 119.9 | A15 | D13-A15 PolarHBondContact OD1-N 2.94Š|
| 14 | H | 51.7 | Low | 49.8 | Very low | 192 Ų | 192 | 146.9 Ų | 146.9 | 89% | 0.889 | 75% | 0.752 | S | S | * | * | | | trans | -140.8 | 97.2 | 147.1 | -90.7 | 1.2 | 0 | 0 | 0 | 112.4 | | |
| 15 | A | 49.5 | Very low | 48.4 | Very low | 90 Ų | 90 | 150.1 Ų | 150.1 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | | | trans | 49.7 | 105.6 | 141.9 | 0 | 0 | 0 | 0 | 0 | 121 | D13 | D13-A15 PolarHBondContact OD1-N 2.94Š|
| 16 | G | 46.6 | Very low | 48.4 | Very low | 61 Ų | 61 | 143.4 Ų | 143.4 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | | | | 82.7 | 67.6 | 105.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 17 | D | 40.7 | Very low | 48.1 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | | | trans | 27.6 | 101.6 | 140.5 | -169.9 | 21 | 0 | 0 | 0 | 118.8 | | |
| 18 | Y | 43.9 | Very low | 48.6 | Very low | 234 Ų | 234 | 141.6 Ų | 141.6 | 92% | 0.918 | 75% | 0.75 | S | S | * | * | | | trans | -117.3 | 120.4 | 154.5 | -82.5 | -95.9 | 0 | 0 | 0 | 109.2 | | |
| 19 | T | 51.2 | Low | 48.6 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | | | trans | -85.4 | 171.6 | 179.1 | 42.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 20 | L | 43.7 | Very low | 48.6 | Very low | 166 Ų | 166 | 139 Ų | 139 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | | | trans | 94.8 | 62.9 | 172.4 | -155.8 | 67.8 | 0 | 0 | 0 | 117.6 | | |
| 21 | L | 51.5 | Low | 48.2 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | | | trans | -85.7 | 155.4 | 136.2 | -56.7 | 173 | 0 | 0 | 0 | 107.7 | | |
| 22 | Q | 45.7 | Very low | 47.7 | Very low | 138 Ų | 138 | 138 Ų | 138 | 65% | 0.645 | 75% | 0.747 | S | S | * | * | | | cis | -159.6 | 161.6 | -13.7 | -116.4 | 175.8 | -71.5 | 0 | 0 | 108.5 | | |
| 23 | D | 51.7 | Low | 47.4 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 65% | 0.652 | 76% | 0.758 | S | S | * | * | | | trans | 34.3 | 108.3 | 144.3 | -45.5 | -24.9 | 0 | 0 | 0 | 118.5 | | |
| 24 | Q | 43 | Very low | 47.6 | Very low | 182 Ų | 182 | 138.7 Ų | 138.7 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | | | | 101.1 | 144.9 | 67.3 | -177.3 | 165.2 | 98.2 | 0 | 0 | 112.5 | | |
| 25 | E | 40.2 | Very low | 47.7 | Very low | 186 Ų | 186 | 138.2 Ų | 138.2 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | | | trans | -62.7 | 159.6 | -176 | -60.8 | 138.9 | 171.6 | 0 | 0 | 113.1 | | |
| 26 | G | 43.7 | Very low | 47.7 | Very low | 68 Ų | 68 | 141.5 Ų | 141.5 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | cis | 175 | -120 | 5.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 27 | D | 50 | Low | 48 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | | | trans | 80.8 | 138.5 | 167.2 | -92 | 17.9 | 0 | 0 | 0 | 121.4 | | |
| 28 | M | 54.2 | Low | 48.5 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | | | trans | 78.6 | 143.4 | 160.7 | -47.1 | -167 | -162 | 0 | 0 | 122.1 | | |
| 29 | D | 50.4 | Low | 49 | Very low | 96 Ų | 96 | 136.1 Ų | 136.1 | 51% | 0.513 | 76% | 0.755 | S | S | . | * | | | cis | -167.5 | 170.9 | -36.4 | -107.3 | -19.1 | 0 | 0 | 0 | 112.2 | | |
| 30 | H | 48.2 | Very low | 48.9 | Very low | 138 Ų | 138 | 133 Ų | 133 | 64% | 0.639 | 75% | 0.747 | S | S | * | * | | | trans | -33.8 | 156.5 | 168.9 | -59.3 | -107.3 | 0 | 0 | 0 | 117.1 | P232 | H30-P232 WeakPolarHBondContact CD2-CB 3.39Å; H30-P232 WeakPolarHBondContact NE2-CB 3.35Å |
| 31 | G | 45.1 | Very low | 49.4 | Very low | 66 Ų | 66 | 132.9 Ų | 132.9 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | | | cis | 155.4 | -147.2 | 10.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 32 | L | 52.4 | Low | 49.5 | Very low | 188 Ų | 188 | 132 Ų | 132 | 98% | 0.984 | 75% | 0.748 | S | S | * | * | | | trans | 84.2 | 166.4 | 171.6 | -52.6 | -178 | 0 | 0 | 0 | 119 | | |
| 33 | K | 43.6 | Very low | 50.4 | Low | 209 Ų | 209 | 132 Ų | 132 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | | | trans | -160.3 | 133.8 | -146.9 | 168 | -171.8 | 170.9 | -174.9 | 0 | 113.1 | | |
| 34 | A | 53.2 | Low | 50.4 | Low | 85 Ų | 85 | 132.4 Ų | 132.4 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | | | trans | -159.9 | 148.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 35 | E | 53 | Low | 51 | Low | 183 Ų | 183 | 130.8 Ų | 130.8 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | | | cis | 64.9 | 136.4 | 41.8 | -164.3 | 171.8 | -155.1 | 0 | 0 | 112.7 | | |
| 36 | E | 49.4 | Very low | 51.6 | Low | 158 Ų | 158 | 130.4 Ų | 130.4 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | cis | -85.9 | -156.3 | -10.4 | -139.8 | -139.3 | 122.5 | 0 | 0 | 109.7 | | |
| 37 | A | 52.5 | Low | 52.6 | Low | 83 Ų | 83 | 134.5 Ų | 134.5 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | | | cis | -146.4 | 175.6 | -1.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 38 | G | 51.3 | Low | 53.1 | Low | 72 Ų | 72 | 137.2 Ų | 137.2 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | trans | 164.4 | 16.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 39 | I | 55.8 | Low | 53.1 | Low | 165 Ų | 165 | 134.3 Ų | 134.3 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | trans | -68.5 | 133.1 | 165.1 | -52.7 | 162.6 | 0 | 0 | 0 | 106.6 | | |
| 40 | G | 49.1 | Very low | 53.5 | Low | 57 Ų | 57 | 135 Ų | 135 | 59% | 0.588 | 79% | 0.787 | S | S | * | * | | | cis | 132.9 | 114.4 | 10.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 41 | D | 53.3 | Low | 53.4 | Low | 165 Ų | 165 | 132.2 Ų | 132.2 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | | | trans | -160.1 | 140.2 | 170.3 | -116.6 | -28.7 | 0 | 0 | 0 | 110.1 | | |
| 42 | T | 53.9 | Low | 53.5 | Low | 127 Ų | 127 | 137 Ų | 137 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | | | trans | -138.3 | 103.9 | -176 | 42.4 | 0 | 0 | 0 | 0 | 110.9 | N44 | T42-N44 PolarHBondContact O-N 3.3Å; T42-N44 VanDerWaalsContact O-N 3.13Å |
| 43 | P | 65.3 | Low | 53.6 | Low | 138 Ų | 138 | 132.2 Ų | 132.2 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | | | trans | -73.7 | 103.1 | 171.7 | 29.4 | -31.8 | 0 | 0 | 0 | 109.5 | | |
| 44 | N | 50.4 | Low | 53.8 | Low | 131 Ų | 131 | 128.8 Ų | 128.8 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | trans | -95.5 | 155.4 | 175.4 | -173.1 | 26.5 | 0 | 0 | 0 | 110.9 | T42 | T42-N44 PolarHBondContact O-N 3.3Å; T42-N44 VanDerWaalsContact O-N 3.13Å |
| 45 | Q | 55.2 | Low | 53.2 | Low | 149 Ų | 149 | 132.6 Ų | 132.6 | 70% | 0.696 | 78% | 0.778 | S | S | * | * | | | trans | 78.1 | 148.8 | 166 | -71.6 | 165.4 | 142.6 | 0 | 0 | 120.8 | | |
| 46 | E | 52.8 | Low | 52.6 | Low | 177 Ų | 177 | 127.8 Ų | 127.8 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | | | trans | 67.3 | 84.7 | 148.7 | -70.1 | 160.5 | 126 | 0 | 0 | 120.3 | | |
| 47 | D | 66.3 | Low | 52.2 | Low | 154 Ų | 154 | 131.4 Ų | 131.4 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | | -149.1 | 152.3 | 100.7 | -162.3 | 4.1 | 0 | 0 | 0 | 111 | | |
| 48 | Q | 60.9 | Low | 51.9 | Low | 187 Ų | 187 | 134.1 Ų | 134.1 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -146.4 | 95.2 | -174.4 | -82.2 | -73.8 | -10.6 | 0 | 0 | 111.6 | | |
| 49 | A | 52.9 | Low | 51.5 | Low | 92 Ų | 92 | 135 Ų | 135 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | trans | -132.4 | 107.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 50 | A | 58.8 | Low | 51.2 | Low | 111 Ų | 111 | 132.5 Ų | 132.5 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | | | trans | -28 | 135 | -178.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 51 | G | 47.4 | Very low | 51.2 | Low | 80 Ų | 80 | 137 Ų | 137 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -167.9 | 66.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V53 | G51-V53 PolarHBondContact O-N 3.32Š|
| 52 | H | 45.7 | Very low | 50.6 | Low | 166 Ų | 166 | 133.7 Ų | 133.7 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | -71.1 | 114.2 | -165.6 | 169.2 | -75.4 | 0 | 0 | 0 | 115.9 | | |
| 53 | V | 55 | Low | 50.4 | Low | 88 Ų | 88 | 136.2 Ų | 136.2 | 53% | 0.533 | 76% | 0.763 | S | S | . | * | | | | 46.1 | 122.4 | 128.9 | 178.6 | 0 | 0 | 0 | 0 | 117.5 | G51 | G51-V53 PolarHBondContact O-N 3.32Š|
| 54 | T | 46.7 | Very low | 49.1 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | | | | -146.7 | 146.3 | 90.2 | -61.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 55 | Q | 40.8 | Very low | 48.6 | Very low | 165 Ų | 165 | 133 Ų | 133 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | | | trans | -78.3 | 147.8 | -168.1 | -59.1 | 167.1 | 26.1 | 0 | 0 | 112 | | |
| 56 | A | 41.2 | Very low | 48.1 | Very low | 83 Ų | 83 | 133 Ų | 133 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | | | cis | 100.5 | 115.5 | 20.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 57 | R | 41.5 | Very low | 47.6 | Very low | 233 Ų | 233 | 130.1 Ų | 130.1 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | | | trans | 57 | 130.5 | 147.3 | -65.1 | 175.8 | 179.3 | 156.3 | -0.1 | 118.4 | | |
| 58 | V | 46.5 | Very low | 46.3 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | | | cis | 56.6 | 89.6 | 26 | -54.8 | 0 | 0 | 0 | 0 | 117.7 | | |
| 59 | A | 43 | Very low | 45.6 | Very low | 90 Ų | 90 | 131.8 Ų | 131.8 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | | | trans | -169.4 | 142.5 | 142.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 60 | S | 49.6 | Very low | 44.8 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | cis | 68.2 | 136.8 | 41.5 | -51.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 61 | K | 47.9 | Very low | 44.2 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 65% | 0.652 | 75% | 0.753 | S | S | * | * | | | cis | -169.4 | 169.4 | 13.2 | -146 | 179.5 | 152.9 | -137.3 | 0 | 111 | | |
| 62 | D | 41.3 | Very low | 43.9 | Very low | 96 Ų | 96 | 142 Ų | 142 | 51% | 0.513 | 76% | 0.757 | S | S | . | * | | | trans | 65.9 | 152.6 | 152.8 | -69.2 | -37.7 | 0 | 0 | 0 | 115.7 | | |
| 63 | R | 49.3 | Very low | 43.5 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 68% | 0.683 | 76% | 0.757 | S | S | * | * | | | cis | -161.7 | 149.2 | -7.4 | -123 | 169.7 | -133.2 | -178.4 | 16.8 | 113.6 | | |
| 64 | T | 37.7 | Very low | 43.2 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | 26.4 | 138.5 | 143.8 | 55.1 | 0 | 0 | 0 | 0 | 122.6 | | |
| 65 | G | 39.9 | Very low | 43.3 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | | | trans | 174.1 | 70 | 155.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 66 | N | 44.9 | Very low | 43.7 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | trans | 49.3 | 137.2 | 154.4 | -71.4 | 30.5 | 0 | 0 | 0 | 124.5 | | |
| 67 | D | 43.2 | Very low | 44 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | | | trans | 31.9 | 115.4 | 140.3 | -62.2 | -111.6 | 0 | 0 | 0 | 122.2 | | |
| 68 | E | 38.9 | Very low | 44.1 | Very low | 200 Ų | 200 | 134.8 Ų | 134.8 | 94% | 0.935 | 77% | 0.77 | S | S | * | * | | | | -120.3 | 129.4 | 129.4 | -102.3 | -163.4 | 103.6 | 0 | 0 | 111.2 | | |
| 69 | K | 45.3 | Very low | 44 | Very low | 175 Ų | 175 | 131.2 Ų | 131.2 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | | | trans | -94.3 | 147.6 | 166.1 | -63.1 | 168.1 | -177 | 167.7 | 0 | 107.9 | | |
| 70 | K | 36 | Very low | 44.1 | Very low | 197 Ų | 197 | 131.2 Ų | 131.2 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | | | | 144.1 | 117.3 | 114.5 | -175.5 | 173.2 | 179.5 | -178.8 | 0 | 115.1 | | |
| 71 | A | 46.4 | Very low | 44 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | | | trans | 69.2 | 169.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 72 | K | 40.9 | Very low | 43.6 | Very low | 208 Ų | 208 | 135.2 Ų | 135.2 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | | | cis | -152.8 | 144.5 | 15.3 | -167.7 | 179.3 | -179.2 | -176.3 | 0 | 113.2 | | |
| 73 | G | 36.8 | Very low | 43.6 | Very low | 75 Ų | 75 | 134.9 Ų | 134.9 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | 104.3 | 146.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 74 | A | 49.7 | Very low | 43.3 | Very low | 83 Ų | 83 | 132.6 Ų | 132.6 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | | | cis | -159 | 161.8 | -9.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 75 | D | 48.4 | Very low | 43.5 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | | | trans | 61.7 | 166 | 161.7 | -53.7 | -51.9 | 0 | 0 | 0 | 118.9 | | |
| 76 | G | 48.4 | Very low | 43.2 | Very low | 73 Ų | 73 | 140.1 Ų | 140.1 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | trans | 152.8 | -20.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 77 | K | 49.1 | Very low | 42.7 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | 42.4 | 111.5 | 161.9 | -172.9 | -178.4 | 176.9 | 177.9 | 0 | 119.3 | | |
| 78 | T | 42.4 | Very low | 42.2 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | | | trans | 64.8 | 156.9 | 157.8 | 60.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 79 | G | 44.1 | Very low | 42.2 | Very low | 66 Ų | 66 | 131.2 Ų | 131.2 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | | | cis | 167.1 | 89.6 | -7.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 80 | A | 45.5 | Very low | 41.9 | Very low | 90 Ų | 90 | 128.4 Ų | 128.4 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | | | trans | 78.2 | 146.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 81 | K | 46.9 | Very low | 42.2 | Very low | 182 Ų | 182 | 125.1 Ų | 125.1 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | 84.2 | 115.1 | 130.8 | 75 | -165.1 | 167.4 | -172.3 | 0 | 123.8 | | |
| 82 | I | 40.8 | Very low | 41.7 | Very low | 164 Ų | 164 | 125.3 Ų | 125.3 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | | | trans | 94.2 | 144.9 | 137.1 | -68.7 | 157.6 | 0 | 0 | 0 | 119.8 | | |
| 83 | A | 41.4 | Very low | 41.9 | Very low | 89 Ų | 89 | 122.9 Ų | 122.9 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | 86.9 | 100 | 161.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 84 | T | 41.6 | Very low | 42 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | | | trans | -49.3 | 158.5 | 134.3 | 0.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 85 | P | 42.4 | Very low | 41.2 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | | | cis | -154.1 | 172.7 | 35.1 | 45.8 | -24.8 | 0 | 0 | 0 | 120.6 | | |
| 86 | R | 33.1 | Very low | 41 | Very low | 249 Ų | 249 | 126.6 Ų | 126.6 | 94% | 0.94 | 80% | 0.796 | S | S | * | * | | | trans | 30.4 | 108.7 | 133.6 | -166.8 | -176.7 | -170.1 | 167.7 | 2.4 | 120.5 | | |
| 87 | G | 36 | Very low | 40.5 | Very low | 68 Ų | 68 | 128.2 Ų | 128.2 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | trans | 163.7 | 117.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 88 | A | 32.8 | Very low | 40 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | | | | 88.1 | 135.1 | 53.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 89 | A | 37.8 | Very low | 39.7 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | | | trans | 76.8 | 131.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 90 | S | 39.5 | Very low | 39.7 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | | | trans | -78.9 | 168.4 | 171.8 | -25.8 | 0 | 0 | 0 | 0 | 111 | | |
| 91 | P | 42.8 | Very low | 39.4 | Very low | 129 Ų | 129 | 134 Ų | 134 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | | -145.1 | 175.8 | 61.5 | 39.1 | -18.8 | 0 | 0 | 0 | 117.4 | | |
| 92 | A | 34.3 | Very low | 39.5 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | | | trans | -58 | 150.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 93 | Q | 46.5 | Very low | 39.5 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | trans | -159.2 | 142.2 | 139.4 | -117 | -174.7 | 44.4 | 0 | 0 | 112.8 | | |
| 94 | K | 38.2 | Very low | 39.2 | Very low | 188 Ų | 188 | 130.5 Ų | 130.5 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | | | trans | 61.9 | 120.6 | 163.6 | -57 | 161.8 | -174.7 | 159.8 | 0 | 116.9 | | |
| 95 | G | 33.3 | Very low | 39.2 | Very low | 72 Ų | 72 | 133.1 Ų | 133.1 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | cis | 118.8 | 98.9 | -9.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 96 | T | 44.9 | Very low | 39.2 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | -136.8 | 45.7 | 172.3 | 44.2 | 0 | 0 | 0 | 0 | 111.9 | N98 | T96-N98 PolarHBondContact O-N 3.07Å; T96-N98 VanDerWaalsContact O-N 3.15Å |
| 97 | S | 38.1 | Very low | 39.7 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | trans | -74.8 | 96.7 | 175.6 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | A99 | S97-A99 VanDerWaalsContact C-N 3.25Å; S97-A99 PolarHBondContact O-N 2.85Å |
| 98 | N | 37 | Very low | 40.1 | Very low | 159 Ų | 159 | 129.7 Ų | 129.7 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | | | trans | -75.3 | 74 | 173 | -91.6 | -19.1 | 0 | 0 | 0 | 112 | T96 | T96-N98 PolarHBondContact O-N 3.07Å; T96-N98 VanDerWaalsContact O-N 3.15Å |
| 99 | A | 37.6 | Very low | 40.5 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | -120 | 66.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | S97 R101 | S97-A99 VanDerWaalsContact C-N 3.25Å; S97-A99 PolarHBondContact O-N 2.85Å; A99-R101 PolarHBondContact O-N 3.13Å |
| 100 | T | 42.6 | Very low | 40.6 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 62% | 0.62 | 78% | 0.78 | S | S | * | * | | | trans | -98.3 | 91.3 | -158.4 | -58.2 | 0 | 0 | 0 | 0 | 113 | I102 | T100-I102 HydrophobicContact CG2-CD1 3.73Å; T100-I102 HydrophobicContact CG2-CG1 3.67Å |
| 101 | R | 38.8 | Very low | 40.7 | Very low | 245 Ų | 245 | 134.4 Ų | 134.4 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | | | trans | -75.9 | 130.4 | 159.5 | -81.2 | -175 | 170.4 | -157.1 | -0.6 | 109.9 | A99 | A99-R101 PolarHBondContact O-N 3.13Š|
| 102 | I | 50.9 | Low | 40.2 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | | | trans | -143.9 | 160.3 | 166 | 5.9 | 177.8 | 0 | 0 | 0 | 109.2 | T100 | T100-I102 HydrophobicContact CG2-CD1 3.73Å; T100-I102 HydrophobicContact CG2-CG1 3.67Å |
| 103 | P | 39.5 | Very low | 40.8 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | | | | -129.7 | -178.6 | -105.6 | 40.8 | -24.7 | 0 | 0 | 0 | 114.8 | | |
| 104 | A | 36.5 | Very low | 40.6 | Very low | 97 Ų | 97 | 134 Ų | 134 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | -82.3 | 153.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 105 | K | 41.2 | Very low | 40.3 | Very low | 188 Ų | 188 | 128.6 Ų | 128.6 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | | | trans | -150.3 | 115.3 | 157.8 | -114.9 | -172.8 | 176.9 | -177.5 | 0 | 112.5 | | |
| 106 | T | 42.3 | Very low | 40.3 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 64% | 0.644 | 79% | 0.791 | S | S | * | * | | | | 58.3 | 100 | 126.6 | 55.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 107 | T | 43.3 | Very low | 39.9 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | | 90.2 | 153.8 | 81.9 | 51.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 108 | P | 43.7 | Very low | 40 | Very low | 119 Ų | 119 | 132 Ų | 132 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | cis | -130.2 | -178.8 | -10.8 | 36 | -16.8 | 0 | 0 | 0 | 115.1 | | |
| 109 | S | 41 | Very low | 40.6 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -65.6 | 166.4 | 173 | -31 | 0 | 0 | 0 | 0 | 113.9 | | |
| 110 | P | 41.1 | Very low | 41.2 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | | | | -156.6 | 150.2 | 86.9 | 39.2 | -19.2 | 0 | 0 | 0 | 120.1 | | |
| 111 | K | 40.3 | Very low | 41.2 | Very low | 206 Ų | 206 | 134 Ų | 134 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | | | trans | 70.1 | 150.3 | 138.1 | -67.7 | 172.1 | -176.9 | 177.8 | 0 | 122.7 | | |
| 112 | T | 32.2 | Very low | 41.5 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -117.4 | 174.9 | -173.1 | -24.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 113 | P | 47.7 | Very low | 41.1 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | | -78.7 | -107.8 | -99 | 38.1 | -20.2 | 0 | 0 | 0 | 110.3 | | |
| 114 | P | 41.7 | Very low | 41.3 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | cis | -111.2 | -175.6 | -19.9 | 43.2 | -30.8 | 0 | 0 | 0 | 113.6 | | |
| 115 | G | 31.5 | Very low | 41.6 | Very low | 76 Ų | 76 | 135.2 Ų | 135.2 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | | | trans | 136.9 | 132 | 150 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 116 | S | 33.3 | Very low | 41.7 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | trans | -60.1 | 152.1 | 169.8 | 47.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 117 | G | 37.4 | Very low | 41.5 | Very low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | | | trans | -177.2 | 95.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 118 | E | 41.4 | Very low | 41.7 | Very low | 185 Ų | 185 | 133.5 Ų | 133.5 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -68.8 | 170.5 | 150.1 | -93.4 | -169.5 | 91.9 | 0 | 0 | 110.1 | | |
| 119 | P | 49.2 | Very low | 41.8 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | | | cis | -152.3 | -143.1 | 38.3 | 40.6 | -14.6 | 0 | 0 | 0 | 114 | | |
| 120 | P | 49.7 | Very low | 42 | Very low | 92 Ų | 92 | 133 Ų | 133 | 60% | 0.597 | 79% | 0.794 | S | S | * | * | | | | -126.8 | -173.8 | -57.7 | 27.6 | -7 | 0 | 0 | 0 | 114.6 | | |
| 121 | K | 43.3 | Very low | 42.6 | Very low | 194 Ų | 194 | 133.6 Ų | 133.6 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | | | trans | 80.4 | 143.9 | 163.1 | -52.5 | 172.1 | -175.5 | 176 | 0 | 115.3 | | |
| 122 | S | 44 | Very low | 42.4 | Very low | 124 Ų | 124 | 127 Ų | 127 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | | | cis | -172.9 | 161.6 | -12.1 | 44.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 123 | G | 43.6 | Very low | 42.8 | Very low | 69 Ų | 69 | 126.7 Ų | 126.7 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | cis | 170.4 | -167.8 | 0.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 124 | E | 43.6 | Very low | 43.2 | Very low | 199 Ų | 199 | 127.1 Ų | 127.1 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | | | trans | 48.3 | 111.3 | 158.5 | -55.3 | -167.8 | 140.9 | 0 | 0 | 122.6 | | |
| 125 | R | 41.1 | Very low | 43 | Very low | 241 Ų | 241 | 124.8 Ų | 124.8 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | | | | -163.9 | 131.7 | 116.2 | -132.3 | 178.8 | 173.8 | 178.6 | -3.1 | 114.1 | | |
| 126 | S | 44.8 | Very low | 43.9 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | | | trans | 23.9 | 128.4 | 153.4 | 56.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 127 | G | 37.3 | Very low | 44.5 | Very low | 64 Ų | 64 | 127.3 Ų | 127.3 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | | | cis | 86.1 | 145.2 | 11.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 128 | Y | 48.7 | Very low | 44.6 | Very low | 227 Ų | 227 | 127 Ų | 127 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | | | trans | 79.4 | 139.4 | -168.5 | 122.5 | -81 | 0 | 0 | 0 | 115.1 | | |
| 129 | S | 44.8 | Very low | 45 | Very low | 97 Ų | 97 | 123.3 Ų | 123.3 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | cis | -157 | 155.7 | -19.4 | -89.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 130 | S | 44.8 | Very low | 45.1 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -82.4 | 145.9 | 164 | -52 | 0 | 0 | 0 | 0 | 111.8 | | |
| 131 | P | 55.1 | Low | 45.4 | Very low | 124 Ų | 124 | 130 Ų | 130 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | | | | -123.7 | 162 | 123 | 36.2 | -31 | 0 | 0 | 0 | 110.6 | | |
| 132 | G | 35.9 | Very low | 45.7 | Very low | 68 Ų | 68 | 132.3 Ų | 132.3 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | | | cis | 111.9 | 99.4 | 18.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 133 | S | 40.3 | Very low | 46.1 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -71.5 | 138 | -162.4 | -46.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 134 | P | 55.3 | Low | 46.7 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | -103.4 | 111.6 | 155.1 | 33.4 | -24.3 | 0 | 0 | 0 | 110.4 | | |
| 135 | G | 36.9 | Very low | 47.2 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | trans | -102.8 | 129 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 136 | T | 51.8 | Low | 48.3 | Very low | 136 Ų | 136 | 126.3 Ų | 126.3 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | -147.1 | 154.2 | 170.6 | 23.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 137 | P | 45.5 | Very low | 49 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | trans | -100.7 | 144.1 | -150.2 | 36.4 | -35.5 | 0 | 0 | 0 | 116.2 | | |
| 138 | G | 40.4 | Very low | 50 | Low | 71 Ų | 71 | 130.7 Ų | 130.7 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | | | trans | 65.8 | 106.7 | 132.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 139 | S | 48.9 | Very low | 50.9 | Low | 109 Ų | 109 | 125.1 Ų | 125.1 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | | -161.9 | 126.6 | 116.7 | -91.7 | 0 | 0 | 0 | 0 | 115 | | |
| 140 | R | 52.2 | Low | 51.7 | Low | 236 Ų | 236 | 126 Ų | 126 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | | | trans | 43.6 | 92.6 | 140.3 | -57.9 | 176 | 179.3 | 172.9 | -1 | 118.5 | | |
| 141 | S | 55.7 | Low | 51.9 | Low | 104 Ų | 104 | 126.4 Ų | 126.4 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | | -141.8 | 133.1 | 104.1 | -168.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 142 | R | 49.8 | Very low | 52 | Low | 244 Ų | 244 | 132.2 Ų | 132.2 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | trans | -116.1 | 73.6 | 179.2 | -68.6 | -174.1 | -176.4 | 178.7 | 1.6 | 109 | P144 | R142-P144 VanDerWaalsContact O-CD 3.29Å; R142-P144 WeakPolarHBondContact O-CD 3.36Å |
| 143 | T | 51.4 | Low | 52.7 | Low | 120 Ų | 120 | 135 Ų | 135 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | trans | -80.7 | 110.9 | 171.4 | 47.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 144 | P | 56.9 | Low | 53.4 | Low | 120 Ų | 120 | 133.7 Ų | 133.7 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 138.7 | 175.8 | 29.3 | -34.1 | 0 | 0 | 0 | 110.3 | R142 | R142-P144 VanDerWaalsContact O-CD 3.29Å; R142-P144 WeakPolarHBondContact O-CD 3.36Å |
| 145 | S | 53.4 | Low | 53.1 | Low | 116 Ų | 116 | 135.1 Ų | 135.1 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 129.4 | -179.9 | 51.2 | 0 | 0 | 0 | 0 | 112 | | |
| 146 | L | 63.8 | Low | 53.7 | Low | 151 Ų | 151 | 140.6 Ų | 140.6 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 150.4 | 164 | -102.9 | 65.9 | 0 | 0 | 0 | 110.9 | T148 | L146-T148 PolarHBondContact O-N 3.48Š|
| 147 | P | 61 | Low | 53.5 | Low | 126 Ų | 126 | 139.6 Ų | 139.6 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 118.1 | 178.2 | 26.7 | -33.7 | 0 | 0 | 0 | 111 | | |
| 148 | T | 58 | Low | 53.7 | Low | 128 Ų | 128 | 137.8 Ų | 137.8 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 135.6 | 175.3 | -49.8 | 0 | 0 | 0 | 0 | 110 | L146 | L146-T148 PolarHBondContact O-N 3.48Š|
| 149 | P | 68 | Low | 54.7 | Low | 110 Ų | 110 | 139.4 Ų | 139.4 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 148.5 | 178.1 | 26.3 | -34.7 | 0 | 0 | 0 | 112.1 | T151 | P149-T151 PolarHBondContact O-N 3.47Š|
| 150 | P | 60.9 | Low | 55.2 | Low | 116 Ų | 116 | 140 Ų | 140 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 126.2 | -167.4 | 29.2 | -35.3 | 0 | 0 | 0 | 114.2 | | |
| 151 | T | 48 | Very low | 55.6 | Low | 126 Ų | 126 | 139 Ų | 139 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | 37 | 105.1 | 137.4 | 61.1 | 0 | 0 | 0 | 0 | 119 | P149 | P149-T151 PolarHBondContact O-N 3.47Š|
| 152 | R | 57.4 | Low | 56.2 | Low | 246 Ų | 246 | 139.1 Ų | 139.1 | 93% | 0.928 | 75% | 0.752 | S | S | * | * | | | | -130.3 | 103 | 125 | -87.6 | -160.5 | 173.8 | -145.7 | -1.2 | 110.6 | | |
| 153 | E | 50.8 | Low | 57.2 | Low | 126 Ų | 126 | 132.6 Ų | 132.6 | 59% | 0.589 | 74% | 0.741 | S | S | * | * | | | trans | -63.5 | 152.9 | 147.6 | 66.8 | 170.2 | 116.7 | 0 | 0 | 108.7 | K155 | E153-K155 IonicContact OE1-NZ 2.69Å; E153-K155 PolarHBondContact OE1-NZ 2.98Å; E153-K155 WeakPolarHBondContact OE2-CG 3.13Å; E153-K155 PolarHBondContact OE2-N 3.34Å; E153-K155 IonicContact OE2-NZ 2.66Å; E153-K155 PolarHBondContact OE2-NZ 3.15Å |
| 154 | P | 55.5 | Low | 57.9 | Low | 99 Ų | 99 | 132.5 Ų | 132.5 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | | | | -108.1 | 146.8 | 78.7 | 31.5 | -35.7 | 0 | 0 | 0 | 113 | K156 | P154-K156 HydrophobicContact CG-CG 4.34Å; P154-K156 PolarHBondContact O-N 2.85Å |
| 155 | K | 49 | Very low | 58.4 | Low | 155 Ų | 155 | 136.7 Ų | 136.7 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | | | trans | -52.6 | 93.4 | 148.9 | -66.9 | 165.1 | -169.4 | 82.8 | 0 | 107.5 | E153 V157 | E153-K155 IonicContact OE1-NZ 2.69Å; E153-K155 PolarHBondContact OE1-NZ 2.98Å; E153-K155 WeakPolarHBondContact OE2-CG 3.13Å; E153-K155 PolarHBondContact OE2-N 3.34Å; E153-K155 IonicContact OE2-NZ 2.66Å; E153-K155 PolarHBondContact OE2-NZ 3.15Å; K155-V157 PolarHBondContact O-N 2.89Å |
| 156 | K | 48.5 | Very low | 59.3 | Low | 190 Ų | 190 | 136 Ų | 136 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | | | trans | -69.1 | 79.5 | 165.8 | -79.9 | -169.8 | 177 | 178.8 | 0 | 107.4 | P154 A158 | P154-K156 HydrophobicContact CG-CG 4.34Å; P154-K156 PolarHBondContact O-N 2.85Å; K156-A158 PolarHBondContact O-N 3.2Å |
| 157 | V | 47.9 | Very low | 59.8 | Low | 116 Ų | 116 | 134.6 Ų | 134.6 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | | | trans | -45.2 | 113.1 | 154.2 | 176.6 | 0 | 0 | 0 | 0 | 104.9 | K155 V159 | K155-V157 PolarHBondContact O-N 2.89Å; V157-V159 PolarHBondContact O-N 3Å |
| 158 | A | 51.1 | Low | 60.2 | Low | 85 Ų | 85 | 134.1 Ų | 134.1 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | | | trans | -67.1 | 91.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | K156 V160 | K156-A158 PolarHBondContact O-N 3.2Å; A158-V160 PolarHBondContact O-N 2.66Å |
| 159 | V | 60.7 | Low | 60.6 | Low | 104 Ų | 104 | 131.9 Ų | 131.9 | 63% | 0.63 | 74% | 0.737 | S | S | * | * | | | trans | -55.7 | 107.3 | 172.5 | 175 | 0 | 0 | 0 | 0 | 105.2 | V157 R161 | V157-V159 PolarHBondContact O-N 3Å; V159-R161 HydrophobicContact CG1-CG 4.31Å; V159-R161 PolarHBondContact O-N 3.19Å |
| 160 | V | 59.4 | Low | 60.5 | Low | 121 Ų | 121 | 131.9 Ų | 131.9 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | | | trans | -69.4 | 80 | 175.7 | -176.7 | 0 | 0 | 0 | 0 | 106.3 | A158 T162 | A158-V160 PolarHBondContact O-N 2.66Å; V160-T162 HydrophobicContact CG1-CG2 4.23Å; V160-T162 PolarHBondContact O-N 3.35Å |
| 161 | R | 61.4 | Low | 60.7 | Low | 215 Ų | 215 | 136 Ų | 136 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | | | trans | -61.1 | 90.7 | 155.9 | -74.8 | -173 | 166.1 | 93.3 | -1.5 | 104.6 | V159 | V159-R161 HydrophobicContact CG1-CG 4.31Å; V159-R161 PolarHBondContact O-N 3.19Å |
| 162 | T | 66.5 | Low | 61.4 | Low | 108 Ų | 108 | 135.3 Ų | 135.3 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | | | trans | -48.2 | 126.5 | 170.1 | 38.9 | 0 | 0 | 0 | 0 | 106.8 | V160 | V160-T162 HydrophobicContact CG1-CG2 4.23Å; V160-T162 PolarHBondContact O-N 3.35Å |
| 163 | P | 70.9 | Confident | 62.1 | Low | 107 Ų | 107 | 134.6 Ų | 134.6 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | | | trans | -55.2 | 129.9 | 179.5 | 22.7 | -32.6 | 0 | 0 | 0 | 107.1 | K165 | P163-K165 PolarHBondContact O-N 3.49Š|
| 164 | P | 67.8 | Low | 62.9 | Low | 118 Ų | 118 | 136.3 Ų | 136.3 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | trans | -59.9 | 110.8 | -166.1 | 22.2 | -33.1 | 0 | 0 | 0 | 108.8 | S166 | P164-S166 PolarHBondContact O-N 3.05Š|
| 165 | K | 66 | Low | 63.6 | Low | 207 Ų | 207 | 140.6 Ų | 140.6 | 90% | 0.9 | 77% | 0.768 | S | S | * | * | | | trans | -68.2 | 89 | 174.9 | -78.6 | -173.2 | 174.8 | -178.5 | 0 | 107.8 | P163 | P163-K165 PolarHBondContact O-N 3.49Š|
| 166 | S | 73.7 | Confident | 64.6 | Low | 101 Ų | 101 | 139.8 Ų | 139.8 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -48.4 | 134.1 | 164.5 | -46.2 | 0 | 0 | 0 | 0 | 108 | P164 S168 | P164-S166 PolarHBondContact O-N 3.05Å; S166-S168 PolarHBondContact O-N 3.49Å; S166-S168 VanDerWaalsContact O-N 3.13Å |
| 167 | P | 74.1 | Confident | 65.7 | Low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | trans | -57.7 | 124.4 | 172.2 | 25 | -32.7 | 0 | 0 | 0 | 107.8 | A169 | P167-A169 PolarHBondContact O-N 3.46Š|
| 168 | S | 68.8 | Low | 67 | Low | 117 Ų | 117 | 134.8 Ų | 134.8 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -61 | 106.8 | 179.2 | 177.1 | 0 | 0 | 0 | 0 | 108.3 | S166 S170 | S166-S168 PolarHBondContact O-N 3.49Å; S166-S168 VanDerWaalsContact O-N 3.13Å; S168-S170 PolarHBondContact O-N 3.34Å |
| 169 | A | 67.2 | Low | 68.2 | Low | 80 Ų | 80 | 136.9 Ų | 136.9 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | | | trans | -63.7 | 100.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | P167 K171 | P167-A169 PolarHBondContact O-N 3.46Å; A169-K171 PolarHBondContact O-N 3.05Å |
| 170 | S | 64.8 | Low | 69.1 | Low | 110 Ų | 110 | 137.6 Ų | 137.6 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -62.7 | 103.8 | 170.1 | 42.9 | 0 | 0 | 0 | 0 | 108.2 | S168 S172 | S168-S170 PolarHBondContact O-N 3.34Å; S170-S172 PolarHBondContact O-N 3.22Å |
| 171 | K | 65.5 | Low | 70.1 | Confident | 203 Ų | 203 | 140.3 Ų | 140.3 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -72.9 | 56.5 | -177.6 | -67.7 | -178.9 | 179.4 | 175.4 | 0 | 112.1 | A169 R173 | A169-K171 PolarHBondContact O-N 3.05Å; K171-R173 VanDerWaalsContact C-N 3.27Å; K171-R173 PolarHBondContact O-N 2.93Å |
| 172 | S | 63.4 | Low | 71 | Confident | 112 Ų | 112 | 135.1 Ų | 135.1 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | trans | -73.3 | 85 | 166.3 | -167.3 | 0 | 0 | 0 | 0 | 108.4 | S170 L174 | S170-S172 PolarHBondContact O-N 3.22Å; S172-L174 PolarHBondContact O-N 2.77Å |
| 173 | R | 71 | Confident | 71.8 | Confident | 230 Ų | 230 | 135.4 Ų | 135.4 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 118.4 | 170.4 | -169 | 176.5 | -163.6 | 159.8 | 5.5 | 107.1 | K171 Q175 | K171-R173 VanDerWaalsContact C-N 3.27Å; K171-R173 PolarHBondContact O-N 2.93Å; R173-Q175 PolarHBondContact O-N 3.41Å; R173-Q175 VanDerWaalsContact O-N 3.09Å |
| 174 | L | 67.7 | Low | 72.4 | Confident | 163 Ų | 163 | 136.2 Ų | 136.2 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 120.2 | 171 | -78.5 | 166.1 | 0 | 0 | 0 | 108.7 | S172 T176 | S172-L174 PolarHBondContact O-N 2.77Å; L174-T176 PolarHBondContact O-N 3.04Å |
| 175 | Q | 70.5 | Confident | 73.1 | Confident | 189 Ų | 189 | 138.7 Ų | 138.7 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 128.4 | 176.3 | -68.4 | -179.6 | -10.8 | 0 | 0 | 107.9 | R173 A177 | R173-Q175 PolarHBondContact O-N 3.41Å; R173-Q175 VanDerWaalsContact O-N 3.09Å; Q175-A177 PolarHBondContact O-N 3.14Å |
| 176 | T | 69.9 | Low | 73.8 | Confident | 137 Ų | 137 | 134.9 Ų | 134.9 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -57 | 135.8 | 171.7 | -49.9 | 0 | 0 | 0 | 0 | 108.4 | L174 | L174-T176 PolarHBondContact O-N 3.04Š|
| 177 | A | 71.2 | Confident | 74.3 | Confident | 80 Ų | 80 | 135.7 Ų | 135.7 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -54 | 142.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q175 V179 | Q175-A177 PolarHBondContact O-N 3.14Å; A177-V179 PolarHBondContact O-N 3.24Å |
| 178 | P | 74.8 | Confident | 74.5 | Confident | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 143 | 175.1 | 25.7 | -34.2 | 0 | 0 | 0 | 109.6 | | |
| 179 | V | 76.1 | Confident | 75.1 | Confident | 128 Ų | 128 | 139 Ų | 139 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 143 | -179.2 | -70.9 | 0 | 0 | 0 | 0 | 111 | A177 M181 | A177-V179 PolarHBondContact O-N 3.24Å; V179-M181 PolarHBondContact O-N 2.96Å |
| 180 | P | 80.6 | Confident | 75.9 | Confident | 120 Ų | 120 | 145.5 Ų | 145.5 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 136.9 | 179.7 | 24.6 | -34.3 | 0 | 0 | 0 | 110 | | |
| 181 | M | 79.9 | Confident | 76.4 | Confident | 177 Ų | 177 | 146.6 Ų | 146.6 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 138.5 | -177.3 | -70.7 | -149.2 | -53.9 | 0 | 0 | 111 | V179 | V179-M181 PolarHBondContact O-N 2.96Š|
| 182 | P | 81.2 | Confident | 76.8 | Confident | 106 Ų | 106 | 138.3 Ų | 138.3 | 69% | 0.688 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 143.5 | 177.8 | 26.9 | -34.7 | 0 | 0 | 0 | 111 | L184 | P182-L184 PolarHBondContact O-N 3.36Š|
| 183 | D | 82.1 | Confident | 77.2 | Confident | 115 Ų | 115 | 137.7 Ų | 137.7 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | | | trans | -85.5 | 109.7 | -170.5 | -165.9 | 57.9 | 0 | 0 | 0 | 112.3 | K185 | D183-K185 VanDerWaalsContact CG-CG 3.49Å; D183-K185 WeakPolarHBondContact OD1-CE 3.49Å; D183-K185 VanDerWaalsContact OD1-CG 3.25Å; D183-K185 WeakPolarHBondContact OD1-CG 3.49Å; D183-K185 WeakPolarHBondContact OD2-CG 2.82Å |
| 184 | L | 84.2 | Confident | 77.4 | Confident | 124 Ų | 124 | 131.3 Ų | 131.3 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | | | trans | -98.6 | 10.9 | -172.4 | -59.1 | 178.4 | 0 | 0 | 0 | 114.3 | P182 N186 V187 | P182-L184 PolarHBondContact O-N 3.36Å; L184-N186 PolarHBondContact O-N 3.08Å; L184-N186 VanDerWaalsContact O-N 3.08Å; L184-V187 HydrophobicContact CB-CG2 4.29Å; L184-V187 HydrophobicContact CD2-CG2 4.24Å; L184-V187 PolarHBondContact O-N 3.03Å |
| 185 | K | 81.9 | Confident | 78 | Confident | 170 Ų | 170 | 131.3 Ų | 131.3 | 74% | 0.739 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -28.4 | -170 | -47.7 | -76.3 | 174.1 | 170.1 | 0 | 113.9 | D183 | D183-K185 VanDerWaalsContact CG-CG 3.49Å; D183-K185 WeakPolarHBondContact OD1-CE 3.49Å; D183-K185 VanDerWaalsContact OD1-CG 3.25Å; D183-K185 WeakPolarHBondContact OD1-CG 3.49Å; D183-K185 WeakPolarHBondContact OD2-CG 2.82Å |
| 186 | N | 81.9 | Confident | 78.3 | Confident | 127 Ų | 127 | 127.3 Ų | 127.3 | 68% | 0.679 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | 10.7 | -169 | -66 | -59.5 | 0 | 0 | 0 | 113.9 | L184 R188 | L184-N186 PolarHBondContact O-N 3.08Å; L184-N186 VanDerWaalsContact O-N 3.08Å; N186-R188 PolarHBondContact O-N 3.47Å; N186-R188 VanDerWaalsContact O-N 3.11Å |
| 187 | V | 82.8 | Confident | 78.8 | Confident | 118 Ų | 118 | 127.2 Ų | 127.2 | 72% | 0.715 | 70% | 0.698 | S | S | * | * | | | trans | -69.5 | 106.2 | 176.4 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | L184 | L184-V187 HydrophobicContact CB-CG2 4.29Å; L184-V187 HydrophobicContact CD2-CG2 4.24Å; L184-V187 PolarHBondContact O-N 3.03Å |
| 188 | R | 79.6 | Confident | 79.4 | Confident | 218 Ų | 218 | 132.9 Ų | 132.9 | 82% | 0.823 | 71% | 0.707 | S | S | * | * | | | trans | -96 | 153.7 | 176.7 | -63.9 | -177.9 | -175.7 | 172.4 | 2.5 | 111.5 | N186 | N186-R188 PolarHBondContact O-N 3.47Å; N186-R188 VanDerWaalsContact O-N 3.11Å |
| 189 | S | 81.4 | Confident | 80 | Confident | 89 Ų | 89 | 132.2 Ų | 132.2 | 62% | 0.622 | 69% | 0.693 | S | S | * | * | | | trans | -64.7 | 136.6 | 175.6 | 50.4 | 0 | 0 | 0 | 0 | 112 | I191 | S189-I191 VanDerWaalsContact C-N 3.28Š|
| 190 | K | 82.8 | Confident | 80.3 | Confident | 217 Ų | 217 | 133.6 Ų | 133.6 | 94% | 0.943 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -79.7 | -7.6 | 171.9 | -65.2 | -172.1 | 178 | -175.7 | 0 | 113.9 | | |
| 191 | I | 75.2 | Confident | 80.4 | Confident | 133 Ų | 133 | 132.8 Ų | 132.8 | 68% | 0.682 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -87.4 | 126.5 | 177.4 | -58.8 | 173.8 | 0 | 0 | 0 | 108.1 | S189 S193 | S189-I191 VanDerWaalsContact C-N 3.28Å; I191-S193 PolarHBondContact O-N 2.66Å |
| 192 | G | 75.7 | Confident | 80.6 | Confident | 30 Ų | 30 | 128.3 Ų | 128.3 | 31% | 0.309 | 69% | 0.685 | S | S | . | * | | | trans | -67.1 | 11.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | T194 E195 | G192-T194 PolarHBondContact O-N 3.43Å; G192-E195 WeakPolarHBondContact O-CB 3.45Å; G192-E195 WeakPolarHBondContact O-CG 3.43Å; G192-E195 PolarHBondContact O-N 3.21Å |
| 193 | S | 70.1 | Confident | 80.7 | Confident | 99 Ų | 99 | 126.5 Ų | 126.5 | 69% | 0.692 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -11.7 | -172.6 | -170.7 | 0 | 0 | 0 | 0 | 115.7 | I191 | I191-S193 PolarHBondContact O-N 2.66Š|
| 194 | T | 76.7 | Confident | 80.7 | Confident | 95 Ų | 95 | 124.6 Ų | 124.6 | 58% | 0.583 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -7.2 | 174.1 | 52.3 | 0 | 0 | 0 | 0 | 114.3 | G192 L197 | G192-T194 PolarHBondContact O-N 3.43Å; T194-L197 HydrophobicContact CG2-CD1 4.33Å; T194-L197 VanDerWaalsContact O-CD1 3.29Å; T194-L197 WeakPolarHBondContact O-CD1 3.25Å; T194-L197 VanDerWaalsContact O-CG 3.3Å; T194-L197 WeakPolarHBondContact O-CG 3.3Å |
| 195 | E | 79 | Confident | 80.3 | Confident | 164 Ų | 164 | 128.8 Ų | 128.8 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -32.9 | -178 | 76.5 | -154.3 | 146.7 | 0 | 0 | 112.5 | G192 | G192-E195 WeakPolarHBondContact O-CB 3.45Å; G192-E195 WeakPolarHBondContact O-CG 3.43Å; G192-E195 PolarHBondContact O-N 3.21Å |
| 196 | N | 76.7 | Confident | 80.2 | Confident | 104 Ų | 104 | 127.1 Ų | 127.1 | 56% | 0.556 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 17 | -172.6 | -143.9 | 29.6 | 0 | 0 | 0 | 113.9 | K198 H199 | N196-K198 PolarHBondContact O-N 3.17Å; N196-H199 HydrophobicContact CB-CB 4.42Å; N196-H199 VanDerWaalsContact CG-CB 3.48Å; N196-H199 WeakPolarHBondContact ND2-CB 3.32Å; N196-H199 VanDerWaalsContact O-CB 3.24Å; N196-H199 WeakPolarHBondContact O-CB 3.06Å; N196-H199 PolarHBondContact O-N 3.12Å; N196-H199 WeakPolarHBondContact OD1-CB 3.23Å |
| 197 | L | 81 | Confident | 80.2 | Confident | 135 Ų | 135 | 129.2 Ų | 129.2 | 71% | 0.707 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -10.2 | -174.7 | -72.6 | 171.6 | 0 | 0 | 0 | 115.7 | T194 | T194-L197 HydrophobicContact CG2-CD1 4.33Å; T194-L197 VanDerWaalsContact O-CD1 3.29Å; T194-L197 WeakPolarHBondContact O-CD1 3.25Å; T194-L197 VanDerWaalsContact O-CG 3.3Å; T194-L197 WeakPolarHBondContact O-CG 3.3Å |
| 198 | K | 84.8 | Confident | 80.1 | Confident | 199 Ų | 199 | 131.3 Ų | 131.3 | 87% | 0.865 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 12.5 | 177 | -62.1 | -177.9 | -179.4 | 179 | 0 | 112.9 | N196 Q200 | N196-K198 PolarHBondContact O-N 3.17Å; K198-Q200 PolarHBondContact O-N 3.44Å |
| 199 | H | 85.7 | Confident | 80.2 | Confident | 108 Ų | 108 | 126 Ų | 126 | 50% | 0.5 | 71% | 0.713 | S | S | . | * | | | trans | -83.8 | 97 | -179.8 | -172.8 | 90.1 | 0 | 0 | 0 | 111.2 | N196 | N196-H199 HydrophobicContact CB-CB 4.42Å; N196-H199 VanDerWaalsContact CG-CB 3.48Å; N196-H199 WeakPolarHBondContact ND2-CB 3.32Å; N196-H199 VanDerWaalsContact O-CB 3.24Å; N196-H199 WeakPolarHBondContact O-CB 3.06Å; N196-H199 PolarHBondContact O-N 3.12Å; N196-H199 WeakPolarHBondContact OD1-CB 3.23Å |
| 200 | Q | 82.9 | Confident | 80.2 | Confident | 158 Ų | 158 | 131.2 Ų | 131.2 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | | | trans | -78.8 | 125 | 156.1 | -94.5 | 54.4 | 55.4 | 0 | 0 | 108.5 | K198 | K198-Q200 PolarHBondContact O-N 3.44Š|
| 201 | P | 82.8 | Confident | 80.3 | Confident | 102 Ų | 102 | 129.1 Ų | 129.1 | 66% | 0.662 | 71% | 0.711 | S | S | * | * | | | trans | -63.1 | 138.6 | 178 | 26.2 | -33.9 | 0 | 0 | 0 | 110.7 | G203 | P201-G203 PolarHBondContact O-N 2.95Å; P201-G203 VanDerWaalsContact O-N 3.14Å |
| 202 | G | 85 | Confident | 80.6 | Confident | 83 Ų | 83 | 127 Ų | 127 | 86% | 0.856 | 71% | 0.707 | S | S | * | * | | | trans | -69 | 107.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 203 | G | 82.5 | Confident | 80.9 | Confident | 69 Ų | 69 | 131.2 Ų | 131.2 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | | | trans | -74 | 123.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P201 | P201-G203 PolarHBondContact O-N 2.95Å; P201-G203 VanDerWaalsContact O-N 3.14Å |
| 204 | G | 82.4 | Confident | 81.3 | Confident | 74 Ų | 74 | 132.3 Ų | 132.3 | 76% | 0.763 | 72% | 0.724 | S | S | * | * | | | trans | -75.2 | 138 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 205 | K | 75.2 | Confident | 81.4 | Confident | 212 Ų | 212 | 133.6 Ų | 133.6 | 92% | 0.922 | 73% | 0.727 | S | S | * | * | | | trans | -105.4 | 76.4 | 178.6 | -60.8 | -175 | -175.7 | -177.7 | 0 | 110.8 | | |
| 206 | V | 81 | Confident | 81.2 | Confident | 136 Ų | 136 | 129.9 Ų | 129.9 | 82% | 0.824 | 72% | 0.719 | S | S | * | * | | | trans | -97.1 | 122.3 | 175.5 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 207 | Q | 80.4 | Confident | 80.9 | Confident | 171 Ų | 171 | 133.9 Ų | 133.9 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | | | trans | -115.8 | 118.5 | 176.4 | -170.8 | 167.7 | 9.1 | 0 | 0 | 109.6 | V209 | Q207-V209 PolarHBondContact O-N 3.27Š|
| 208 | I | 81.4 | Confident | 80.4 | Confident | 162 Ų | 162 | 133 Ų | 133 | 83% | 0.831 | 73% | 0.731 | S | S | * | * | | | trans | -77.5 | 113.7 | 177.9 | -58.7 | 176.1 | 0 | 0 | 0 | 108 | Y210 | I208-Y210 PolarHBondContact O-N 2.9Š|
| 209 | V | 81.6 | Confident | 79.5 | Confident | 107 Ų | 107 | 129.1 Ų | 129.1 | 65% | 0.648 | 72% | 0.724 | S | S | * | * | | | trans | -90.8 | 103.1 | -177.8 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | Q207 K211 | Q207-V209 PolarHBondContact O-N 3.27Å; V209-K211 HydrophobicContact CG1-CG 4.2Å; V209-K211 PolarHBondContact O-N 3.43Å |
| 210 | Y | 80.9 | Confident | 78.7 | Confident | 197 Ų | 197 | 129.4 Ų | 129.4 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | | | trans | -76.5 | 121.2 | 173.8 | -174.4 | -117.9 | 0 | 0 | 0 | 110.8 | I208 P212 | I208-Y210 PolarHBondContact O-N 2.9Å; Y210-P212 HydrophobicContact CD1-CG 4.42Å; Y210-P212 HydrophobicContact CE1-CB 4.05Å; Y210-P212 HydrophobicContact CE1-CG 3.87Å |
| 211 | K | 85.6 | Confident | 78 | Confident | 173 Ų | 173 | 131.8 Ų | 131.8 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | trans | -130.6 | 94.5 | 171 | -69.1 | -171.6 | 179.1 | -174.9 | 0 | 108.6 | V209 | V209-K211 HydrophobicContact CG1-CG 4.2Å; V209-K211 PolarHBondContact O-N 3.43Å |
| 212 | P | 81.2 | Confident | 77 | Confident | 90 Ų | 90 | 132 Ų | 132 | 58% | 0.584 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -66 | 144.8 | 175.4 | 28 | -32.3 | 0 | 0 | 0 | 110 | Y210 | Y210-P212 HydrophobicContact CD1-CG 4.42Å; Y210-P212 HydrophobicContact CE1-CB 4.05Å; Y210-P212 HydrophobicContact CE1-CG 3.87Å |
| 213 | V | 81.7 | Confident | 75.6 | Confident | 118 Ų | 118 | 131.8 Ų | 131.8 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 125.4 | 172.8 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | L215 | V213-L215 HydrophobicContact CG1-CD2 3.94Å; V213-L215 HydrophobicContact CG1-CG 4.41Å |
| 214 | D | 79 | Confident | 74.3 | Confident | 122 Ų | 122 | 133.3 Ų | 133.3 | 65% | 0.652 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 128.9 | 170.7 | -179 | 27 | 0 | 0 | 0 | 110.4 | S216 | D214-S216 VanDerWaalsContact CG-OG 3.28Å; D214-S216 WeakPolarHBondContact OD1-CB 3.3Å; D214-S216 PolarHBondContact OD1-N 2.87Å; D214-S216 PolarHBondContact OD1-OG 3.04Å; D214-S216 WeakPolarHBondContact OD2-CB 3.45Å; D214-S216 PolarHBondContact OD2-OG 3.27Å |
| 215 | L | 79.1 | Confident | 73.1 | Confident | 121 Ų | 121 | 137 Ų | 137 | 63% | 0.634 | 75% | 0.748 | S | S | * | * | | | trans | -118.9 | 13.8 | 178.4 | -60.4 | 176.1 | 0 | 0 | 0 | 111.9 | V213 K217 V218 | V213-L215 HydrophobicContact CG1-CD2 3.94Å; V213-L215 HydrophobicContact CG1-CG 4.41Å; L215-K217 PolarHBondContact O-N 3.36Å; L215-V218 HydrophobicContact CB-CG2 4.17Å; L215-V218 HydrophobicContact CD2-CG2 4.2Å; L215-V218 PolarHBondContact O-N 3.14Å |
| 216 | S | 75 | Confident | 72.6 | Confident | 86 Ų | 86 | 130.1 Ų | 130.1 | 60% | 0.601 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.9 | -16.5 | -175.1 | 61 | 0 | 0 | 0 | 0 | 116.9 | D214 | D214-S216 VanDerWaalsContact CG-OG 3.28Å; D214-S216 WeakPolarHBondContact OD1-CB 3.3Å; D214-S216 PolarHBondContact OD1-N 2.87Å; D214-S216 PolarHBondContact OD1-OG 3.04Å; D214-S216 WeakPolarHBondContact OD2-CB 3.45Å; D214-S216 PolarHBondContact OD2-OG 3.27Å |
| 217 | K | 70.1 | Confident | 71.7 | Confident | 189 Ų | 189 | 130.3 Ų | 130.3 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 8.3 | -178.3 | -64.9 | 177.6 | -177.4 | 173.7 | 0 | 114.3 | L215 T219 | L215-K217 PolarHBondContact O-N 3.36Å; K217-T219 PolarHBondContact O-N 2.72Å |
| 218 | V | 69.6 | Low | 70.9 | Confident | 116 Ų | 116 | 128.4 Ų | 128.4 | 70% | 0.703 | 73% | 0.727 | S | S | * | * | | | trans | -83.7 | 102.9 | 177.8 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | L215 | L215-V218 HydrophobicContact CB-CG2 4.17Å; L215-V218 HydrophobicContact CD2-CG2 4.2Å; L215-V218 PolarHBondContact O-N 3.14Å |
| 219 | T | 67.6 | Low | 70.3 | Confident | 117 Ų | 117 | 129.6 Ų | 129.6 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | | | trans | -93.4 | 145.5 | 169.8 | 54.5 | 0 | 0 | 0 | 0 | 111.3 | K217 | K217-T219 PolarHBondContact O-N 2.72Š|
| 220 | S | 68.8 | Low | 69.8 | Low | 115 Ų | 115 | 130 Ų | 130 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | | | trans | -71.6 | 140.4 | 176.8 | 48 | 0 | 0 | 0 | 0 | 111.4 | | |
| 221 | K | 66.7 | Low | 69.3 | Low | 208 Ų | 208 | 128 Ų | 128 | 90% | 0.904 | 72% | 0.719 | S | S | * | * | | | trans | -105.5 | 6.7 | 177.8 | -68.3 | -168.7 | 175.3 | -174.9 | 0 | 114.3 | | |
| 222 | C | 62.2 | Low | 68.4 | Low | 106 Ų | 106 | 121.9 Ų | 121.9 | 72% | 0.716 | 70% | 0.697 | S | S | * | * | | | trans | -95.6 | 105.7 | 179.7 | -168.1 | 0 | 0 | 0 | 0 | 110.4 | S224 | C222-S224 PolarHBondContact O-N 3.48Š|
| 223 | G | 55.5 | Low | 67.7 | Low | 78 Ų | 78 | 121.6 Ų | 121.6 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | | | trans | -90.8 | 89.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L225 | G223-L225 PolarHBondContact O-N 2.95Š|
| 224 | S | 54.7 | Low | 67.2 | Low | 102 Ų | 102 | 119.7 Ų | 119.7 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | | | trans | -91.2 | 32.6 | -167.2 | 53.1 | 0 | 0 | 0 | 0 | 115.8 | C222 G226 | C222-S224 PolarHBondContact O-N 3.48Å; S224-G226 PolarHBondContact O-N 2.91Å |
| 225 | L | 58.3 | Low | 66.4 | Low | 152 Ų | 152 | 117.6 Ų | 117.6 | 80% | 0.796 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 25.1 | -176.6 | -64.5 | 176.6 | 0 | 0 | 0 | 115.2 | G223 | G223-L225 PolarHBondContact O-N 2.95Š|
| 226 | G | 65 | Low | 65.7 | Low | 66 Ų | 66 | 121.4 Ų | 121.4 | 68% | 0.68 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -30.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | S224 | S224-G226 PolarHBondContact O-N 2.91Š|
| 227 | N | 61.4 | Low | 65.4 | Low | 140 Ų | 140 | 123.2 Ų | 123.2 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | | | trans | -114.8 | 20.4 | -160.9 | -73.5 | -4.9 | 0 | 0 | 0 | 115.2 | H229 H230 | N227-H229 PolarHBondContact O-N 3.48Å; N227-H230 PolarHBondContact O-N 2.98Å |
| 228 | I | 64.5 | Low | 65.5 | Low | 132 Ų | 132 | 121.2 Ų | 121.2 | 68% | 0.677 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -3.6 | -168.4 | -20.6 | 180 | 0 | 0 | 0 | 115.2 | | |
| 229 | H | 67.4 | Low | 65.5 | Low | 186 Ų | 186 | 122 Ų | 122 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | 8 | 179.1 | -58 | 143.9 | 0 | 0 | 0 | 114.2 | N227 K231 | N227-H229 PolarHBondContact O-N 3.48Å; H229-K231 PolarHBondContact O-N 3.29Å |
| 230 | H | 72.3 | Confident | 65.4 | Low | 116 Ų | 116 | 124.2 Ų | 124.2 | 54% | 0.537 | 74% | 0.741 | S | S | . | * | P | Polyproline II helix | trans | -74.5 | 117.5 | 173.7 | -173.2 | 42 | 0 | 0 | 0 | 110.4 | N227 | N227-H230 PolarHBondContact O-N 2.98Š|
| 231 | K | 68.8 | Low | 65.4 | Low | 156 Ų | 156 | 123 Ų | 123 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 121.4 | 156.9 | -74.4 | -63.9 | -174.8 | -174.9 | 0 | 108.2 | H229 G233 | H229-K231 PolarHBondContact O-N 3.29Å; K231-G233 PolarHBondContact O-N 3.33Å |
| 232 | P | 68.4 | Low | 66 | Low | 43 Ų | 43 | 120.8 Ų | 120.8 | 28% | 0.279 | 73% | 0.726 | S | S | . | * | P | Polyproline II helix | trans | -72.4 | 127.3 | 179.7 | 28.5 | -34.4 | 0 | 0 | 0 | 111.2 | H30 | H30-P232 WeakPolarHBondContact CD2-CB 3.39Å; H30-P232 WeakPolarHBondContact NE2-CB 3.35Å |
| 233 | G | 66.3 | Low | 66.5 | Low | 84 Ų | 84 | 124.3 Ų | 124.3 | 87% | 0.866 | 73% | 0.729 | S | S | * | * | | | trans | -89.4 | 110.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K231 | K231-G233 PolarHBondContact O-N 3.33Š|
| 234 | G | 70.6 | Confident | 67.3 | Low | 78 Ų | 78 | 125.2 Ų | 125.2 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | | | trans | -162.8 | 156.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 235 | G | 62.6 | Low | 68.3 | Low | 78 Ų | 78 | 125.5 Ų | 125.5 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | | | trans | 120.8 | -7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | V237 | G235-V237 PolarHBondContact O-N 2.79Å; G235-V237 VanDerWaalsContact O-N 3.15Å |
| 236 | Q | 64.5 | Low | 69 | Low | 202 Ų | 202 | 123.9 Ų | 123.9 | 94% | 0.944 | 70% | 0.695 | S | S | * | * | | | trans | -85.6 | 24.5 | -172.8 | -145.1 | 169.4 | 34.1 | 0 | 0 | 115 | | |
| 237 | V | 68.8 | Low | 69.2 | Low | 124 Ų | 124 | 128.5 Ų | 128.5 | 75% | 0.752 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -124.5 | 119 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | G235 V239 | G235-V237 PolarHBondContact O-N 2.79Å; G235-V237 VanDerWaalsContact O-N 3.15Å; V237-V239 PolarHBondContact O-N 2.89Å |
| 238 | E | 72.3 | Confident | 69.8 | Low | 147 Ų | 147 | 129.4 Ų | 129.4 | 69% | 0.687 | 70% | 0.701 | S | S | * | * | | | trans | -69 | 108.1 | 176.8 | -174.6 | -168.9 | -169.7 | 0 | 0 | 110.7 | K240 | E238-K240 VanDerWaalsContact CD-CE 3.45Å; E238-K240 HydrophobicContact CG-CG 4.14Å; E238-K240 PolarHBondContact O-N 2.99Å; E238-K240 WeakPolarHBondContact OE2-CE 3.21Å; E238-K240 IonicContact OE2-NZ 3.54Å |
| 239 | V | 67.9 | Low | 70.4 | Confident | 131 Ų | 131 | 133.4 Ų | 133.4 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | | | trans | -77.3 | 88.1 | 175.2 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | V237 S241 | V237-V239 PolarHBondContact O-N 2.89Å; V239-S241 PolarHBondContact O-N 3.26Å |
| 240 | K | 66.7 | Low | 71.1 | Confident | 164 Ų | 164 | 129.9 Ų | 129.9 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | | | trans | -66.1 | 102.7 | 176.6 | -66.1 | -177.6 | 179.6 | -179.4 | 0 | 110.7 | E238 E242 | E238-K240 VanDerWaalsContact CD-CE 3.45Å; E238-K240 HydrophobicContact CG-CG 4.14Å; E238-K240 PolarHBondContact O-N 2.99Å; E238-K240 WeakPolarHBondContact OE2-CE 3.21Å; E238-K240 IonicContact OE2-NZ 3.54Å; K240-E242 PolarHBondContact O-N 3.3Å |
| 241 | S | 69.1 | Low | 71.4 | Confident | 91 Ų | 91 | 132.4 Ų | 132.4 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | | | trans | -92.3 | 95.9 | 178.5 | 62.8 | 0 | 0 | 0 | 0 | 111.7 | V239 K243 | V239-S241 PolarHBondContact O-N 3.26Å; S241-K243 PolarHBondContact O-N 3.06Å |
| 242 | E | 77.9 | Confident | 72.1 | Confident | 161 Ų | 161 | 129.5 Ų | 129.5 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | | | trans | -76.9 | 101.2 | 172.5 | -164.2 | -179.3 | 174.5 | 0 | 0 | 110.4 | K240 L244 | K240-E242 PolarHBondContact O-N 3.3Å; E242-L244 HydrophobicContact CG-CD2 4.2Å; E242-L244 HydrophobicContact CG-CG 4.06Å; E242-L244 PolarHBondContact O-N 3.47Å; E242-L244 WeakPolarHBondContact OE1-CD2 3.18Å |
| 243 | K | 72.7 | Confident | 72.9 | Confident | 179 Ų | 179 | 137.8 Ų | 137.8 | 78% | 0.778 | 74% | 0.742 | S | S | * | * | | | trans | -80.1 | 84.5 | 178.6 | -68.5 | -175.6 | 179.7 | 179.1 | 0 | 110.6 | S241 D245 | S241-K243 PolarHBondContact O-N 3.06Å; K243-D245 PolarHBondContact O-N 3.25Å; K243-D245 VanDerWaalsContact O-N 3.08Å |
| 244 | L | 74.1 | Confident | 73.6 | Confident | 97 Ų | 97 | 140.1 Ų | 140.1 | 51% | 0.508 | 73% | 0.733 | S | S | . | * | | | trans | -76.2 | 89.2 | 177.4 | -69.6 | 169.5 | 0 | 0 | 0 | 111.9 | E242 F246 | E242-L244 HydrophobicContact CG-CD2 4.2Å; E242-L244 HydrophobicContact CG-CG 4.06Å; E242-L244 PolarHBondContact O-N 3.47Å; E242-L244 WeakPolarHBondContact OE1-CD2 3.18Å; L244-F246 HydrophobicContact CB-CD2 3.87Å; L244-F246 HydrophobicContact CB-CE2 3.47Å; L244-F246 VanDerWaalsContact CB-CE2 3.47Å; L244-F246 HydrophobicContact CB-CZ 3.97Å; L244-F246 HydrophobicContact CD1-CE2 3.84Å; L244-F246 HydrophobicContact CD1-CZ 3.91Å; L244-F246 HydrophobicContact CD2-CZ 4.39Å; L244-F246 HydrophobicContact CG-CE2 4.19Å; L244-F246 HydrophobicContact CG-CZ 4.32Å; L244-F246 WeakPolarHBondContact O-CD2 3.37Å; L244-F246 PolarHBondContact O-N 3.48Å |
| 245 | D | 75.3 | Confident | 74.2 | Confident | 109 Ų | 109 | 138.4 Ų | 138.4 | 58% | 0.583 | 72% | 0.716 | S | S | * | * | | | trans | -72.6 | 84.1 | 172.8 | -92.3 | -58.3 | 0 | 0 | 0 | 111.9 | K243 K247 | K243-D245 PolarHBondContact O-N 3.25Å; K243-D245 VanDerWaalsContact O-N 3.08Å; D245-K247 VanDerWaalsContact C-N 3.27Å; D245-K247 PolarHBondContact O-N 2.95Å; D245-K247 VanDerWaalsContact OD1-CE 3.3Å; D245-K247 WeakPolarHBondContact OD1-CE 3.25Å; D245-K247 IonicContact OD1-NZ 3.02Å; D245-K247 PolarHBondContact OD1-NZ 3.42Å |
| 246 | F | 71.6 | Confident | 75.1 | Confident | 117 Ų | 117 | 139.1 Ų | 139.1 | 51% | 0.513 | 71% | 0.708 | S | S | . | * | | | trans | -77.4 | -2.8 | -179.2 | -78 | -61.6 | 0 | 0 | 0 | 115.7 | L244 D248 R249 V250 | L244-F246 HydrophobicContact CB-CD2 3.87Å; L244-F246 HydrophobicContact CB-CE2 3.47Å; L244-F246 VanDerWaalsContact CB-CE2 3.47Å; L244-F246 HydrophobicContact CB-CZ 3.97Å; L244-F246 HydrophobicContact CD1-CE2 3.84Å; L244-F246 HydrophobicContact CD1-CZ 3.91Å; L244-F246 HydrophobicContact CD2-CZ 4.39Å; L244-F246 HydrophobicContact CG-CE2 4.19Å; L244-F246 HydrophobicContact CG-CZ 4.32Å; L244-F246 WeakPolarHBondContact O-CD2 3.37Å; L244-F246 PolarHBondContact O-N 3.48Å; F246-D248 VanDerWaalsContact C-N 3.33Å; F246-D248 PolarHBondContact O-N 3.06Å; F246-D248 VanDerWaalsContact O-N 3.14Å; F246-R249 PolarHBondContact O-N 2.95Å; F246-V250 HydrophobicContact CB-CG2 3.86Å; F246-V250 HydrophobicContact CG-CG2 4.44Å; F246-V250 PolarHBondContact O-N 2.72Å |
| 247 | K | 70.3 | Confident | 76 | Confident | 164 Ų | 164 | 134.9 Ų | 134.9 | 71% | 0.713 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.7 | -45.6 | -166.7 | -69.4 | 161.3 | -178.6 | 149 | 0 | 114.3 | D245 | D245-K247 VanDerWaalsContact C-N 3.27Å; D245-K247 PolarHBondContact O-N 2.95Å; D245-K247 VanDerWaalsContact OD1-CE 3.3Å; D245-K247 WeakPolarHBondContact OD1-CE 3.25Å; D245-K247 IonicContact OD1-NZ 3.02Å; D245-K247 PolarHBondContact OD1-NZ 3.42Å |
| 248 | D | 74.4 | Confident | 76.7 | Confident | 158 Ų | 158 | 134.9 Ų | 134.9 | 85% | 0.845 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -4.9 | -173.9 | -50.5 | -39.3 | 0 | 0 | 0 | 113.8 | F246 | F246-D248 VanDerWaalsContact C-N 3.33Å; F246-D248 PolarHBondContact O-N 3.06Å; F246-D248 VanDerWaalsContact O-N 3.14Å |
| 249 | R | 76.8 | Confident | 77.1 | Confident | 217 Ų | 217 | 134.3 Ų | 134.3 | 82% | 0.819 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -15.6 | -173.4 | -61.9 | -171.5 | -174 | -133.5 | 2.9 | 114.1 | F246 Q251 | F246-R249 PolarHBondContact O-N 2.95Å; R249-Q251 PolarHBondContact O-N 3.12Å |
| 250 | V | 81 | Confident | 77.9 | Confident | 111 Ų | 111 | 134.2 Ų | 134.2 | 67% | 0.673 | 68% | 0.683 | S | S | * | * | | | trans | -88.2 | 103.3 | 179.8 | 173.7 | 0 | 0 | 0 | 0 | 110.2 | F246 | F246-V250 HydrophobicContact CB-CG2 3.86Å; F246-V250 HydrophobicContact CG-CG2 4.44Å; F246-V250 PolarHBondContact O-N 2.72Å |
| 251 | Q | 79.3 | Confident | 78.7 | Confident | 170 Ų | 170 | 132.2 Ų | 132.2 | 79% | 0.794 | 68% | 0.684 | S | S | * | * | | | trans | -98.1 | 150.8 | 171.2 | -63.7 | -178 | -5.4 | 0 | 0 | 111.1 | R249 K253 | R249-Q251 PolarHBondContact O-N 3.12Å; Q251-K253 PolarHBondContact O-N 3Å |
| 252 | S | 83.2 | Confident | 79.5 | Confident | 95 Ų | 95 | 134.4 Ų | 134.4 | 66% | 0.664 | 68% | 0.684 | S | S | * | * | | | trans | -70 | 125 | 177 | 52.6 | 0 | 0 | 0 | 0 | 111.7 | I254 | S252-I254 PolarHBondContact O-N 3.45Š|
| 253 | K | 85.7 | Confident | 79.7 | Confident | 217 Ų | 217 | 132.6 Ų | 132.6 | 94% | 0.943 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -76.2 | 22.1 | 176 | -60.6 | -176.7 | 179.4 | 179.7 | 0 | 114.2 | Q251 | Q251-K253 PolarHBondContact O-N 3Š|
| 254 | I | 81.5 | Confident | 80.1 | Confident | 132 Ų | 132 | 129 Ų | 129 | 68% | 0.677 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -124.5 | 124.9 | -175.3 | -59 | 176.1 | 0 | 0 | 0 | 108 | S252 S256 | S252-I254 PolarHBondContact O-N 3.45Å; I254-S256 PolarHBondContact O-N 2.93Å |
| 255 | G | 82.2 | Confident | 80.4 | Confident | 43 Ų | 43 | 127.1 Ų | 127.1 | 44% | 0.443 | 68% | 0.683 | S | S | . | * | | | trans | -72.7 | 59.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L257 D258 | G255-L257 PolarHBondContact O-N 2.8Å; G255-D258 VanDerWaalsContact C-OD1 3.3Å; G255-D258 WeakPolarHBondContact CA-OD1 3.46Å |
| 256 | S | 82.6 | Confident | 80.6 | Confident | 92 Ų | 92 | 124.9 Ų | 124.9 | 64% | 0.643 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -16.7 | -177.5 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | I254 | I254-S256 PolarHBondContact O-N 2.93Š|
| 257 | L | 81.9 | Confident | 80.7 | Confident | 114 Ų | 114 | 123.2 Ų | 123.2 | 60% | 0.597 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | 7.3 | -176.4 | -57.8 | -176.6 | 0 | 0 | 0 | 113.6 | G255 N259 I260 | G255-L257 PolarHBondContact O-N 2.8Å; L257-N259 PolarHBondContact O-N 2.82Å; L257-I260 HydrophobicContact CB-CB 4.43Å; L257-I260 HydrophobicContact CB-CG2 4.49Å; L257-I260 HydrophobicContact CD2-CD1 4.43Å; L257-I260 VanDerWaalsContact O-CB 3.25Å; L257-I260 WeakPolarHBondContact O-CB 3.24Å; L257-I260 WeakPolarHBondContact O-CG2 3.27Å; L257-I260 PolarHBondContact O-N 2.96Å |
| 258 | D | 84.8 | Confident | 80.7 | Confident | 123 Ų | 123 | 122 Ų | 122 | 66% | 0.658 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -24.6 | -172.7 | -63.6 | 3.3 | 0 | 0 | 0 | 113.6 | G255 | G255-D258 VanDerWaalsContact C-OD1 3.3Å; G255-D258 WeakPolarHBondContact CA-OD1 3.46Å |
| 259 | N | 81.2 | Confident | 80.8 | Confident | 136 Ų | 136 | 123.8 Ų | 123.8 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 6.1 | 177.8 | -68 | -71.6 | 0 | 0 | 0 | 114.4 | L257 T261 H262 | L257-N259 PolarHBondContact O-N 2.82Å; N259-T261 PolarHBondContact O-N 2.96Å; N259-T261 VanDerWaalsContact O-N 3.12Å; N259-H262 VanDerWaalsContact O-CB 3.29Å; N259-H262 WeakPolarHBondContact O-CB 3.29Å; N259-H262 PolarHBondContact O-N 3.34Å |
| 260 | I | 83.4 | Confident | 80.7 | Confident | 129 Ų | 129 | 122.5 Ų | 122.5 | 66% | 0.662 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -25.7 | -173.7 | -162.2 | 173.4 | 0 | 0 | 0 | 113.4 | L257 H262 | L257-I260 HydrophobicContact CB-CB 4.43Å; L257-I260 HydrophobicContact CB-CG2 4.49Å; L257-I260 HydrophobicContact CD2-CD1 4.43Å; L257-I260 VanDerWaalsContact O-CB 3.25Å; L257-I260 WeakPolarHBondContact O-CB 3.24Å; L257-I260 WeakPolarHBondContact O-CG2 3.27Å; L257-I260 PolarHBondContact O-N 2.96Å; I260-H262 VanDerWaalsContact C-N 3.31Å |
| 261 | T | 84.9 | Confident | 80.6 | Confident | 121 Ų | 121 | 124.4 Ų | 124.4 | 74% | 0.742 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 1.4 | 178.1 | 54.9 | 0 | 0 | 0 | 0 | 113.9 | N259 V263 | N259-T261 PolarHBondContact O-N 2.96Å; N259-T261 VanDerWaalsContact O-N 3.12Å; T261-V263 PolarHBondContact O-N 2.92Å |
| 262 | H | 84.7 | Confident | 80.3 | Confident | 138 Ų | 138 | 123.8 Ų | 123.8 | 64% | 0.639 | 71% | 0.705 | S | S | * | * | | | trans | -72.3 | 92.3 | 178.4 | 177.2 | -83.3 | 0 | 0 | 0 | 111.5 | N259 I260 | N259-H262 VanDerWaalsContact O-CB 3.29Å; N259-H262 WeakPolarHBondContact O-CB 3.29Å; N259-H262 PolarHBondContact O-N 3.34Å; I260-H262 VanDerWaalsContact C-N 3.31Å |
| 263 | V | 81.9 | Confident | 79.8 | Confident | 123 Ų | 123 | 125 Ų | 125 | 75% | 0.745 | 71% | 0.709 | S | S | * | * | | | trans | -72.8 | 124.5 | 166.4 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | T261 G265 | T261-V263 PolarHBondContact O-N 2.92Å; V263-G265 PolarHBondContact O-N 3.13Å |
| 264 | P | 80.4 | Confident | 79.2 | Confident | 104 Ų | 104 | 122.2 Ų | 122.2 | 68% | 0.675 | 70% | 0.699 | S | S | * | * | | | trans | -70.1 | 102.6 | -176.7 | 27.8 | -34.7 | 0 | 0 | 0 | 111.6 | G266 | P264-G266 PolarHBondContact O-N 2.97Š|
| 265 | G | 81.5 | Confident | 78.7 | Confident | 57 Ų | 57 | 124.7 Ų | 124.7 | 59% | 0.588 | 71% | 0.705 | S | S | * | * | | | trans | -69.8 | 28.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | V263 N268 | V263-G265 PolarHBondContact O-N 3.13Å; G265-N268 PolarHBondContact O-ND2 3Å; G265-N268 VanDerWaalsContact O-ND2 3.14Å |
| 266 | G | 80.4 | Confident | 78.1 | Confident | 62 Ų | 62 | 128.6 Ų | 128.6 | 64% | 0.639 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 159.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P264 N268 | P264-G266 PolarHBondContact O-N 2.97Å; G266-N268 PolarHBondContact O-N 3.07Å |
| 267 | G | 72.5 | Confident | 77.3 | Confident | 82 Ų | 82 | 129.9 Ų | 129.9 | 85% | 0.845 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.7 | -19.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | K269 | G267-K269 VanDerWaalsContact C-N 3.26Å; G267-K269 PolarHBondContact O-N 3.46Å |
| 268 | N | 70.6 | Confident | 76.5 | Confident | 137 Ų | 137 | 131.1 Ų | 131.1 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | | | trans | -68.5 | -16 | -176.2 | -66.6 | -35.2 | 0 | 0 | 0 | 115.1 | G265 G266 K270 | G265-N268 PolarHBondContact O-ND2 3Å; G265-N268 VanDerWaalsContact O-ND2 3.14Å; G266-N268 PolarHBondContact O-N 3.07Å; N268-K270 PolarHBondContact O-N 2.96Å |
| 269 | K | 75.6 | Confident | 75.5 | Confident | 197 Ų | 197 | 137.4 Ų | 137.4 | 86% | 0.857 | 73% | 0.734 | S | S | * | * | | | trans | -91.9 | 95.1 | 175.3 | -69.6 | -170.6 | 178.9 | -176.2 | 0 | 110.8 | G267 I271 | G267-K269 VanDerWaalsContact C-N 3.26Å; G267-K269 PolarHBondContact O-N 3.46Å; K269-I271 PolarHBondContact O-N 3.01Å |
| 270 | K | 75.4 | Confident | 74.7 | Confident | 190 Ų | 190 | 139.7 Ų | 139.7 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | | | trans | -66.5 | 123.6 | 170 | -173.2 | 179.9 | -178.7 | -175.7 | 0 | 109.7 | N268 E272 | N268-K270 PolarHBondContact O-N 2.96Å; K270-E272 PolarHBondContact O-N 3.45Å |
| 271 | I | 78.5 | Confident | 73.7 | Confident | 151 Ų | 151 | 140.5 Ų | 140.5 | 77% | 0.774 | 75% | 0.746 | S | S | * | * | | | trans | -76 | 119.6 | 175.1 | -58.8 | 174.9 | 0 | 0 | 0 | 108.5 | K269 T273 | K269-I271 PolarHBondContact O-N 3.01Å; I271-T273 PolarHBondContact O-N 3.14Å |
| 272 | E | 74.8 | Confident | 72.5 | Confident | 157 Ų | 157 | 138.2 Ų | 138.2 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | | | trans | -80.9 | 106.5 | -179 | -63.7 | -169.6 | 141.9 | 0 | 0 | 111.3 | K270 H274 | K270-E272 PolarHBondContact O-N 3.45Å; E272-H274 PolarHBondContact O-N 2.84Å |
| 273 | T | 71.4 | Confident | 71.5 | Confident | 120 Ų | 120 | 141 Ų | 141 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | | | trans | -83 | 78.7 | -173.5 | -36.2 | 0 | 0 | 0 | 0 | 112.2 | I271 K275 | I271-T273 PolarHBondContact O-N 3.14Å; T273-K275 VanDerWaalsContact C-N 3.27Å; T273-K275 PolarHBondContact O-N 3.21Å |
| 274 | H | 74.1 | Confident | 70.9 | Confident | 158 Ų | 158 | 139.4 Ų | 139.4 | 73% | 0.731 | 75% | 0.75 | S | S | * | * | | | trans | -67.5 | 80.6 | 172.2 | -83.4 | -100.2 | 0 | 0 | 0 | 111.9 | E272 L276 | E272-H274 PolarHBondContact O-N 2.84Å; H274-L276 PolarHBondContact O-N 3.44Å; H274-L276 VanDerWaalsContact O-N 3.16Å |
| 275 | K | 70.7 | Confident | 70.4 | Confident | 184 Ų | 184 | 144.1 Ų | 144.1 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | | | trans | -82.9 | 89.1 | -175.4 | -164.7 | 177.6 | -174.7 | -179.3 | 0 | 111.2 | T273 T277 | T273-K275 VanDerWaalsContact C-N 3.27Å; T273-K275 PolarHBondContact O-N 3.21Å; K275-T277 PolarHBondContact O-N 3.21Å |
| 276 | L | 69.8 | Low | 70 | Confident | 126 Ų | 126 | 146.9 Ų | 146.9 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | | | trans | -64 | 119.1 | -175.7 | -64.4 | 163.9 | 0 | 0 | 0 | 112.8 | H274 F278 | H274-L276 PolarHBondContact O-N 3.44Å; H274-L276 VanDerWaalsContact O-N 3.16Å; L276-F278 HydrophobicContact CB-CD2 3.9Å; L276-F278 HydrophobicContact CB-CE2 3.54Å; L276-F278 HydrophobicContact CB-CZ 3.94Å; L276-F278 HydrophobicContact CD1-CE2 3.71Å; L276-F278 HydrophobicContact CD1-CZ 3.91Å; L276-F278 HydrophobicContact CD2-CE2 4.46Å; L276-F278 HydrophobicContact CD2-CZ 4.05Å; L276-F278 HydrophobicContact CG-CE2 4.09Å; L276-F278 HydrophobicContact CG-CZ 4.18Å; L276-F278 PolarHBondContact O-N 2.83Å |
| 277 | T | 64.3 | Low | 69.4 | Low | 118 Ų | 118 | 150.3 Ų | 150.3 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | | | trans | -93.1 | 45.3 | -172.6 | 44.8 | 0 | 0 | 0 | 0 | 113.9 | K275 R279 | K275-T277 PolarHBondContact O-N 3.21Å; T277-R279 PolarHBondContact O-N 2.77Å; T277-R279 VanDerWaalsContact O-N 3.1Å |
| 278 | F | 65.1 | Low | 69 | Low | 141 Ų | 141 | 153 Ų | 153 | 62% | 0.618 | 76% | 0.759 | S | S | * | * | H | α-helix | trans | -62.7 | -20 | -174 | -62.9 | -55.2 | 0 | 0 | 0 | 115.8 | L276 E280 A282 | L276-F278 HydrophobicContact CB-CD2 3.9Å; L276-F278 HydrophobicContact CB-CE2 3.54Å; L276-F278 HydrophobicContact CB-CZ 3.94Å; L276-F278 HydrophobicContact CD1-CE2 3.71Å; L276-F278 HydrophobicContact CD1-CZ 3.91Å; L276-F278 HydrophobicContact CD2-CE2 4.46Å; L276-F278 HydrophobicContact CD2-CZ 4.05Å; L276-F278 HydrophobicContact CG-CE2 4.09Å; L276-F278 HydrophobicContact CG-CZ 4.18Å; L276-F278 PolarHBondContact O-N 2.83Å; F278-E280 VanDerWaalsContact C-N 3.27Å; F278-E280 PolarHBondContact O-N 2.98Å; F278-E280 VanDerWaalsContact O-N 3.17Å; F278-A282 WeakPolarHBondContact O-CB 3.29Å; F278-A282 PolarHBondContact O-N 3.43Å; F278-A282 VanDerWaalsContact O-N 3.08Å |
| 279 | R | 63.7 | Low | 68.8 | Low | 254 Ų | 254 | 150 Ų | 150 | 96% | 0.958 | 76% | 0.761 | S | S | * | * | H | α-helix | trans | -65.9 | -19.6 | -168.3 | -63.3 | -174.5 | 86 | 152.2 | 4.4 | 115.6 | T277 | T277-R279 PolarHBondContact O-N 2.77Å; T277-R279 VanDerWaalsContact O-N 3.1Å |
| 280 | E | 64.2 | Low | 68.5 | Low | 184 Ų | 184 | 144.1 Ų | 144.1 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -100.3 | -34.2 | -176.8 | -166.7 | 162.9 | -156.4 | 0 | 0 | 112.8 | F278 | F278-E280 VanDerWaalsContact C-N 3.27Å; F278-E280 PolarHBondContact O-N 2.98Å; F278-E280 VanDerWaalsContact O-N 3.17Å |
| 281 | N | 62.5 | Low | 68.3 | Low | 147 Ų | 147 | 143.8 Ų | 143.8 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -91.5 | -15.9 | 179.9 | -71.6 | -34.4 | 0 | 0 | 0 | 114.1 | K283 | N281-K283 PolarHBondContact O-N 3.11Å |
| 282 | A | 61.4 | Low | 67.9 | Low | 73 Ų | 73 | 143 Ų | 143 | 60% | 0.603 | 75% | 0.746 | S | S | * | * | | | trans | -78.1 | 84.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F278 A284 | F278-A282 WeakPolarHBondContact O-CB 3.29Å; F278-A282 PolarHBondContact O-N 3.43Å; F278-A282 VanDerWaalsContact O-N 3.08Å; A282-A284 PolarHBondContact O-N 3.16Å |
| 283 | K | 62.9 | Low | 67.8 | Low | 195 Ų | 195 | 140.6 Ų | 140.6 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | | | trans | -63 | 129.2 | 162.6 | -76 | -164.9 | 174.9 | -171.5 | 0 | 110 | N281 K285 | N281-K283 PolarHBondContact O-N 3.11Å; K283-K285 PolarHBondContact O-N 3.01Å |
| 284 | A | 70 | Confident | 67.5 | Low | 90 Ų | 90 | 144.2 Ų | 144.2 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | | | trans | -62.7 | 109.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | A282 T286 | A282-A284 PolarHBondContact O-N 3.16Å; A284-T286 PolarHBondContact O-N 3.33Å |
| 285 | K | 69.6 | Low | 67.2 | Low | 204 Ų | 204 | 145.6 Ų | 145.6 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | | | trans | -91.1 | 57 | 167.9 | -70.8 | -171.6 | 175.9 | -175.1 | 0 | 110 | K283 D287 | K283-K285 PolarHBondContact O-N 3.01Å; K285-D287 PolarHBondContact O-N 3.17Å |
| 286 | T | 71.6 | Confident | 66.3 | Low | 114 Ų | 114 | 140.9 Ų | 140.9 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | | | trans | -83.7 | 87 | 173 | -50.9 | 0 | 0 | 0 | 0 | 108.3 | A284 H288 | A284-T286 PolarHBondContact O-N 3.33Å; T286-H288 PolarHBondContact O-N 2.93Å |
| 287 | D | 69.2 | Low | 66.1 | Low | 135 Ų | 135 | 140.6 Ų | 140.6 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | | | trans | -77.3 | 107.8 | 157 | -173.4 | 13.4 | 0 | 0 | 0 | 108 | K285 G289 | K285-D287 PolarHBondContact O-N 3.17Å; D287-G289 PolarHBondContact O-N 3.38Å |
| 288 | H | 64 | Low | 65.5 | Low | 138 Ų | 138 | 141.4 Ų | 141.4 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | | | trans | -69.4 | 79.8 | 162.3 | 40.5 | 32.9 | 0 | 0 | 0 | 108.4 | T286 A290 | T286-H288 PolarHBondContact O-N 2.93Å; H288-A290 PolarHBondContact O-N 3.34Å |
| 289 | G | 65.4 | Low | 64.5 | Low | 75 Ų | 75 | 141.1 Ų | 141.1 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | -70.1 | 49.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D287 | D287-G289 PolarHBondContact O-N 3.38Š|
| 290 | A | 69.2 | Low | 63.7 | Low | 72 Ų | 72 | 134.8 Ų | 134.8 | 60% | 0.595 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -135.1 | 131.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | H288 I292 | H288-A290 PolarHBondContact O-N 3.34Å; A290-I292 PolarHBondContact O-N 3.04Å |
| 291 | E | 71.4 | Confident | 62.7 | Low | 183 Ų | 183 | 129.6 Ų | 129.6 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | | | trans | -67.2 | 106 | 176.7 | -67.2 | -169.5 | 134.2 | 0 | 0 | 110.6 | V293 | E291-V293 HydrophobicContact CB-CG2 4.13Å; E291-V293 PolarHBondContact O-N 2.97Å |
| 292 | I | 70 | Confident | 61.6 | Low | 135 Ų | 135 | 130.1 Ų | 130.1 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | | | trans | -78.2 | 77.4 | 174.5 | -51.7 | -178.4 | 0 | 0 | 0 | 108.8 | A290 Y294 | A290-I292 PolarHBondContact O-N 3.04Å; I292-Y294 PolarHBondContact O-N 2.91Å |
| 293 | V | 73.2 | Confident | 60.8 | Low | 106 Ų | 106 | 132.5 Ų | 132.5 | 64% | 0.642 | 76% | 0.757 | S | S | * | * | | | trans | -69.2 | 95.3 | 178.5 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | E291 K295 | E291-V293 HydrophobicContact CB-CG2 4.13Å; E291-V293 PolarHBondContact O-N 2.97Å; V293-K295 PolarHBondContact O-N 3.09Å |
| 294 | Y | 64.2 | Low | 59.6 | Low | 197 Ų | 197 | 128.7 Ų | 128.7 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | | | trans | -74 | 89.9 | 178.1 | -168.9 | -93.2 | 0 | 0 | 0 | 111.6 | I292 S296 | I292-Y294 PolarHBondContact O-N 2.91Å; Y294-S296 PolarHBondContact O-N 2.99Å |
| 295 | K | 68.9 | Low | 59 | Low | 187 Ų | 187 | 130.5 Ų | 130.5 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | | | trans | -78.4 | 101.8 | 166 | -81.6 | -169.8 | 173.2 | -177 | 0 | 110 | V293 P297 | V293-K295 PolarHBondContact O-N 3.09Å; K295-P297 WeakPolarHBondContact O-CD 3.34Å |
| 296 | S | 51.4 | Low | 58.1 | Low | 85 Ų | 85 | 131.4 Ų | 131.4 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 125.8 | 170.5 | 52.3 | 0 | 0 | 0 | 0 | 111.3 | Y294 | Y294-S296 PolarHBondContact O-N 2.99Š|
| 297 | P | 66.3 | Low | 56.8 | Low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 145.1 | 168.6 | -23.5 | 35.2 | 0 | 0 | 0 | 111.6 | K295 | K295-P297 WeakPolarHBondContact O-CD 3.34Š|
| 298 | V | 51 | Low | 55.7 | Low | 136 Ų | 136 | 134 Ų | 134 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 149.2 | -172.9 | 178.1 | 0 | 0 | 0 | 0 | 111.6 | S300 | V298-S300 PolarHBondContact O-N 2.98Š|
| 299 | V | 44.4 | Very low | 54.8 | Low | 135 Ų | 135 | 132 Ų | 132 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 126.3 | -175.3 | -164.9 | 0 | 0 | 0 | 0 | 113 | | |
| 300 | S | 46.2 | Very low | 54 | Low | 121 Ų | 121 | 135 Ų | 135 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | trans | -151.9 | 138.4 | 159 | -75.4 | 0 | 0 | 0 | 0 | 107.7 | V298 | V298-S300 PolarHBondContact O-N 2.98Š|
| 301 | G | 44.5 | Very low | 53.1 | Low | 75 Ų | 75 | 137.2 Ų | 137.2 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | trans | -97.1 | 160.5 | -156.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 302 | D | 37.9 | Very low | 51.8 | Low | 157 Ų | 157 | 133 Ų | 133 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 65.9 | 151.6 | 168.3 | -137.4 | -27.8 | 0 | 0 | 0 | 118.1 | | |
| 303 | T | 45 | Very low | 50.8 | Low | 123 Ų | 123 | 132.3 Ų | 132.3 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 64 | 126.7 | -172.9 | 75.8 | 0 | 0 | 0 | 0 | 115.4 | P305 | T303-P305 WeakPolarHBondContact O-CD 3.1Š|
| 304 | S | 39.1 | Very low | 49.7 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 123.3 | -173.7 | -55.2 | 0 | 0 | 0 | 0 | 113.3 | R306 | S304-R306 PolarHBondContact O-N 2.54Š|
| 305 | P | 56.7 | Low | 49.1 | Very low | 128 Ų | 128 | 128 Ų | 128 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 135.6 | 167.3 | -24.4 | 35.5 | 0 | 0 | 0 | 110.9 | T303 | T303-P305 WeakPolarHBondContact O-CD 3.1Š|
| 306 | R | 50.7 | Low | 48.2 | Very low | 223 Ų | 223 | 123.2 Ų | 123.2 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 141 | -174.1 | -58 | -177.1 | -170 | 178.7 | 4.3 | 110.8 | S304 L308 | S304-R306 PolarHBondContact O-N 2.54Å; R306-L308 HydrophobicContact CB-CG 4.4Å; R306-L308 PolarHBondContact O-N 3.12Å |
| 307 | H | 44.9 | Very low | 48.3 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | trans | -70.6 | 71.7 | 178.9 | -171.9 | -66.7 | 0 | 0 | 0 | 111.9 | | |
| 308 | L | 46 | Very low | 47.6 | Very low | 139 Ų | 139 | 126 Ų | 126 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | | | trans | -86 | 165 | 173.1 | -61.7 | 179.2 | 0 | 0 | 0 | 110.5 | R306 | R306-L308 HydrophobicContact CB-CG 4.4Å; R306-L308 PolarHBondContact O-N 3.12Å |
| 309 | S | 44.8 | Very low | 47.5 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | | | trans | 71.6 | 46.8 | 175.6 | 71.4 | 0 | 0 | 0 | 0 | 118.7 | V311 | S309-V311 PolarHBondContact O-N 3.35Š|
| 310 | N | 47.7 | Very low | 47.9 | Very low | 136 Ų | 136 | 126.4 Ų | 126.4 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -69.9 | 59.1 | 143.6 | -85.8 | 17.6 | 0 | 0 | 0 | 110 | S312 | N310-S312 PolarHBondContact O-N 3.34Š|
| 311 | V | 50 | Low | 48.3 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | | | trans | -80 | 52 | 175.8 | -70.1 | 0 | 0 | 0 | 0 | 110.9 | S309 S313 | S309-V311 PolarHBondContact O-N 3.35Å; V311-S313 PolarHBondContact O-N 3.08Å; V311-S313 VanDerWaalsContact O-N 3.13Å |
| 312 | S | 44.7 | Very low | 48.9 | Very low | 94 Ų | 94 | 127 Ų | 127 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | | | trans | -74.6 | 99.5 | 170.8 | -70.5 | 0 | 0 | 0 | 0 | 109 | N310 T314 | N310-S312 PolarHBondContact O-N 3.34Å; S312-T314 PolarHBondContact O-N 2.81Å |
| 313 | S | 49.3 | Very low | 50.3 | Low | 122 Ų | 122 | 124 Ų | 124 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | | | trans | -68.6 | 69.7 | 173.8 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | V311 G315 | V311-S313 PolarHBondContact O-N 3.08Å; V311-S313 VanDerWaalsContact O-N 3.13Å; S313-G315 PolarHBondContact O-N 3.02Å; S313-G315 VanDerWaalsContact O-N 3.09Å |
| 314 | T | 49.7 | Very low | 51.2 | Low | 125 Ų | 125 | 125.5 Ų | 125.5 | 77% | 0.767 | 73% | 0.73 | S | S | * | * | | | trans | -66.4 | 105 | 167.1 | 49.4 | 0 | 0 | 0 | 0 | 108.3 | S312 S316 | S312-T314 PolarHBondContact O-N 2.81Å; T314-S316 PolarHBondContact O-N 3.08Å |
| 315 | G | 51.9 | Low | 52.2 | Low | 86 Ų | 86 | 125.8 Ų | 125.8 | 89% | 0.887 | 72% | 0.721 | S | S | * | * | | | trans | -62.5 | 104.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111 | S313 | S313-G315 PolarHBondContact O-N 3.02Å; S313-G315 VanDerWaalsContact O-N 3.09Å |
| 316 | S | 51.1 | Low | 52.6 | Low | 87 Ų | 87 | 122.1 Ų | 122.1 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | | | trans | -102 | 123.9 | 168.7 | -148.5 | 0 | 0 | 0 | 0 | 109.3 | T314 D318 | T314-S316 PolarHBondContact O-N 3.08Å; S316-D318 VanDerWaalsContact CB-OD2 3.24Å; S316-D318 WeakPolarHBondContact CB-OD2 3.45Å; S316-D318 PolarHBondContact O-N 3.17Å; S316-D318 VanDerWaalsContact O-N 3.12Å; S316-D318 PolarHBondContact OG-OD2 3.1Å |
| 317 | I | 53.2 | Low | 53.8 | Low | 149 Ų | 149 | 115.6 Ų | 115.6 | 76% | 0.764 | 69% | 0.687 | S | S | * | * | | | trans | -85.9 | 47.3 | 174.3 | -173.6 | 54.4 | 0 | 0 | 0 | 109.9 | M319 | I317-M319 VanDerWaalsContact C-N 3.32Å; I317-M319 HydrophobicContact CD1-CG 3.85Å; I317-M319 HydrophobicContact CD1-SD 4.25Å; I317-M319 HydrophobicContact CG1-CG 4.29Å; I317-M319 PolarHBondContact O-N 3.07Å |
| 318 | D | 49.9 | Very low | 55.3 | Low | 115 Ų | 115 | 112.3 Ų | 112.3 | 62% | 0.615 | 67% | 0.674 | S | S | * | * | | | trans | -76.3 | 85.4 | 175 | -77.9 | -55.6 | 0 | 0 | 0 | 108.9 | S316 V320 | S316-D318 VanDerWaalsContact CB-OD2 3.24Å; S316-D318 WeakPolarHBondContact CB-OD2 3.45Å; S316-D318 PolarHBondContact O-N 3.17Å; S316-D318 VanDerWaalsContact O-N 3.12Å; S316-D318 PolarHBondContact OG-OD2 3.1Å; D318-V320 HydrophobicContact CB-CG2 4.25Å; D318-V320 PolarHBondContact O-N 3.28Å |
| 319 | M | 49.9 | Very low | 56.5 | Low | 165 Ų | 165 | 108.2 Ų | 108.2 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | | | trans | -73.1 | 50.9 | 176.1 | -67.8 | -177.9 | 60.1 | 0 | 0 | 112.2 | I317 | I317-M319 VanDerWaalsContact C-N 3.32Å; I317-M319 HydrophobicContact CD1-CG 3.85Å; I317-M319 HydrophobicContact CD1-SD 4.25Å; I317-M319 HydrophobicContact CG1-CG 4.29Å; I317-M319 PolarHBondContact O-N 3.07Å |
| 320 | V | 52.3 | Low | 58.2 | Low | 114 Ų | 114 | 109.5 Ų | 109.5 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | | | trans | -108.6 | 106.1 | 176.3 | -67.3 | 0 | 0 | 0 | 0 | 110.6 | D318 S322 | D318-V320 HydrophobicContact CB-CG2 4.25Å; D318-V320 PolarHBondContact O-N 3.28Å; V320-S322 PolarHBondContact O-N 3.42Å |
| 321 | D | 54.2 | Low | 59.7 | Low | 135 Ų | 135 | 108.8 Ų | 108.8 | 72% | 0.722 | 65% | 0.652 | S | S | * | * | | | trans | 49.4 | 66.3 | 152.6 | -154.6 | 18 | 0 | 0 | 0 | 116.8 | P323 | D321-P323 WeakPolarHBondContact O-CD 3.35Š|
| 322 | S | 58.1 | Low | 61.1 | Low | 74 Ų | 74 | 107.9 Ų | 107.9 | 52% | 0.517 | 65% | 0.647 | S | S | . | * | | | trans | -71.1 | 113.9 | 159.3 | -74.7 | 0 | 0 | 0 | 0 | 108.9 | V320 Q324 L325 | V320-S322 PolarHBondContact O-N 3.42Å; S322-Q324 PolarHBondContact O-N 3.13Å; S322-L325 PolarHBondContact O-N 2.79Å |
| 323 | P | 67.5 | Low | 62.7 | Low | 94 Ų | 94 | 106.7 Ų | 106.7 | 61% | 0.61 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.1 | -21.5 | -168.8 | 23.7 | -34.7 | 0 | 0 | 0 | 113.5 | D321 L325 A326 T327 | D321-P323 WeakPolarHBondContact O-CD 3.35Å; P323-L325 VanDerWaalsContact C-N 3.26Å; P323-L325 PolarHBondContact O-N 2.94Å; P323-A326 WeakPolarHBondContact O-CB 3.3Å; P323-A326 PolarHBondContact O-N 2.87Å; P323-A326 VanDerWaalsContact O-N 3.13Å; P323-T327 PolarHBondContact O-N 3.39Å; P323-T327 PolarHBondContact O-OG1 3.31Å; P323-T327 VanDerWaalsContact O-OG1 3.07Å |
| 324 | Q | 64.6 | Low | 63.9 | Low | 154 Ų | 154 | 103 Ų | 103 | 72% | 0.72 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -57.8 | -35.7 | 172.1 | -65.9 | 177.7 | -17.3 | 0 | 0 | 112.7 | S322 L328 | S322-Q324 PolarHBondContact O-N 3.13Å; Q324-L328 VanDerWaalsContact O-CG 3.27Å; Q324-L328 WeakPolarHBondContact O-CG 3.33Å; Q324-L328 PolarHBondContact O-N 3.15Å |
| 325 | L | 58.8 | Low | 65.1 | Low | 122 Ų | 122 | 100 Ų | 100 | 64% | 0.639 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -73.6 | -32.8 | 176.3 | -62.9 | -176.4 | 0 | 0 | 0 | 112.1 | S322 P323 L328 A329 | S322-L325 PolarHBondContact O-N 2.79Å; P323-L325 VanDerWaalsContact C-N 3.26Å; P323-L325 PolarHBondContact O-N 2.94Å; L325-L328 HydrophobicContact CD2-CD1 4.45Å; L325-A329 WeakPolarHBondContact O-CB 3.29Å; L325-A329 PolarHBondContact O-N 3.45Å |
| 326 | A | 66 | Low | 65.7 | Low | 50 Ų | 50 | 101.8 Ų | 101.8 | 41% | 0.413 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.1 | -44.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P323 L328 A329 D330 | P323-A326 WeakPolarHBondContact O-CB 3.3Å; P323-A326 PolarHBondContact O-N 2.87Å; P323-A326 VanDerWaalsContact O-N 3.13Å; A326-L328 PolarHBondContact O-N 3.4Å; A326-A329 PolarHBondContact O-N 3.4Å; A326-D330 PolarHBondContact O-N 3.49Å |
| 327 | T | 74.7 | Confident | 66.3 | Low | 87 Ų | 87 | 101.7 Ų | 101.7 | 53% | 0.534 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.4 | -45 | 175 | -47.2 | 0 | 0 | 0 | 0 | 111.9 | P323 A329 D330 E331 | P323-T327 PolarHBondContact O-N 3.39Å; P323-T327 PolarHBondContact O-OG1 3.31Å; P323-T327 VanDerWaalsContact O-OG1 3.07Å; T327-A329 VanDerWaalsContact C-N 3.34Å; T327-A329 PolarHBondContact O-N 2.9Å; T327-D330 PolarHBondContact O-N 3.42Å; T327-E331 PolarHBondContact O-N 3.41Å |
| 328 | L | 76.5 | Confident | 66.9 | Low | 95 Ų | 95 | 103 Ų | 103 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.7 | -34.9 | 176.9 | -71.5 | 168.7 | 0 | 0 | 0 | 112.6 | Q324 L325 A326 E331 V332 | Q324-L328 VanDerWaalsContact O-CG 3.27Å; Q324-L328 WeakPolarHBondContact O-CG 3.33Å; Q324-L328 PolarHBondContact O-N 3.15Å; L325-L328 HydrophobicContact CD2-CD1 4.45Å; A326-L328 PolarHBondContact O-N 3.4Å; L328-E331 PolarHBondContact O-N 2.78Å; L328-V332 WeakPolarHBondContact O-CB 3.24Å; L328-V332 VanDerWaalsContact O-CG2 3.3Å; L328-V332 WeakPolarHBondContact O-CG2 3.12Å; L328-V332 PolarHBondContact O-N 2.97Å |
| 329 | A | 72.4 | Confident | 67.3 | Low | 54 Ų | 54 | 105.3 Ų | 105.3 | 45% | 0.446 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.9 | -38.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L325 A326 T327 S333 | L325-A329 WeakPolarHBondContact O-CB 3.29Å; L325-A329 PolarHBondContact O-N 3.45Å; A326-A329 PolarHBondContact O-N 3.4Å; T327-A329 VanDerWaalsContact C-N 3.34Å; T327-A329 PolarHBondContact O-N 2.9Å; A329-S333 VanDerWaalsContact O-CB 3.29Å; A329-S333 WeakPolarHBondContact O-CB 3.44Å; A329-S333 PolarHBondContact O-N 2.75Å; A329-S333 PolarHBondContact O-OG 3.13Å |
| 330 | D | 79.2 | Confident | 67.4 | Low | 123 Ų | 123 | 100.1 Ų | 100.1 | 66% | 0.658 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69 | -41.6 | 172.9 | -103.2 | -10.5 | 0 | 0 | 0 | 111.9 | A326 T327 V332 S333 A334 | A326-D330 PolarHBondContact O-N 3.49Å; T327-D330 PolarHBondContact O-N 3.42Å; D330-V332 PolarHBondContact O-N 3.09Å; D330-S333 PolarHBondContact O-N 3.33Å; D330-A334 WeakPolarHBondContact O-CB 3.08Å; D330-A334 PolarHBondContact O-N 2.92Å |
| 331 | E | 80.8 | Confident | 67.2 | Low | 120 Ų | 120 | 104.2 Ų | 104.2 | 56% | 0.561 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.6 | -41.7 | 175.5 | -77.1 | -165.2 | 111.4 | 0 | 0 | 112.6 | T327 L328 S335 | T327-E331 PolarHBondContact O-N 3.41Å; L328-E331 PolarHBondContact O-N 2.78Å; E331-S335 VanDerWaalsContact O-CB 3.25Å; E331-S335 WeakPolarHBondContact O-CB 3.25Å; E331-S335 PolarHBondContact O-N 3.43Å; E331-S335 PolarHBondContact O-OG 2.89Å |
| 332 | V | 78.9 | Confident | 66.8 | Low | 100 Ų | 100 | 102.8 Ų | 102.8 | 61% | 0.606 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.3 | -43.2 | 174.8 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | L328 D330 S335 L336 | L328-V332 WeakPolarHBondContact O-CB 3.24Å; L328-V332 VanDerWaalsContact O-CG2 3.3Å; L328-V332 WeakPolarHBondContact O-CG2 3.12Å; L328-V332 PolarHBondContact O-N 2.97Å; D330-V332 PolarHBondContact O-N 3.09Å; V332-S335 PolarHBondContact O-N 3Å; V332-L336 WeakPolarHBondContact O-CB 3.35Å; V332-L336 PolarHBondContact O-N 2.85Å |
| 333 | S | 77.4 | Confident | 66.3 | Low | 70 Ų | 70 | 103.7 Ų | 103.7 | 49% | 0.49 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.8 | -43.9 | 178 | -60.2 | 0 | 0 | 0 | 0 | 112 | A329 D330 S335 L336 A337 | A329-S333 VanDerWaalsContact O-CB 3.29Å; A329-S333 WeakPolarHBondContact O-CB 3.44Å; A329-S333 PolarHBondContact O-N 2.75Å; A329-S333 PolarHBondContact O-OG 3.13Å; D330-S333 PolarHBondContact O-N 3.33Å; S333-S335 VanDerWaalsContact C-N 3.32Å; S333-S335 PolarHBondContact O-N 2.88Å; S333-L336 PolarHBondContact O-N 2.76Å; S333-A337 WeakPolarHBondContact O-CB 2.86Å; S333-A337 PolarHBondContact O-N 2.71Å |
| 334 | A | 75.8 | Confident | 65.2 | Low | 44 Ų | 44 | 107.4 Ų | 107.4 | 36% | 0.364 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68.5 | -29.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D330 K338 | D330-A334 WeakPolarHBondContact O-CB 3.08Å; D330-A334 PolarHBondContact O-N 2.92Å; A334-K338 WeakPolarHBondContact O-CD 3.29Å; A334-K338 VanDerWaalsContact O-CG 3.23Å; A334-K338 WeakPolarHBondContact O-CG 3.37Å; A334-K338 PolarHBondContact O-N 2.77Å |
| 335 | S | 73.3 | Confident | 64.4 | Low | 61 Ų | 61 | 108.3 Ų | 108.3 | 43% | 0.427 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -74 | -44.9 | 173.7 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | E331 V332 S333 A337 K338 Q339 | E331-S335 VanDerWaalsContact O-CB 3.25Å; E331-S335 WeakPolarHBondContact O-CB 3.25Å; E331-S335 PolarHBondContact O-N 3.43Å; E331-S335 PolarHBondContact O-OG 2.89Å; V332-S335 PolarHBondContact O-N 3Å; S333-S335 VanDerWaalsContact C-N 3.32Å; S333-S335 PolarHBondContact O-N 2.88Å; S335-A337 VanDerWaalsContact C-N 3.33Å; S335-A337 PolarHBondContact O-N 2.97Å; S335-K338 PolarHBondContact O-N 2.8Å; S335-Q339 PolarHBondContact O-N 2.8Å; S335-Q339 VanDerWaalsContact O-N 3.12Å |
| 336 | L | 64.6 | Low | 63.5 | Low | 125 Ų | 125 | 107.8 Ų | 107.8 | 65% | 0.654 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -61.3 | -41.9 | 175.6 | -174.9 | 60.9 | 0 | 0 | 0 | 111.5 | V332 S333 K338 Q339 G340 | V332-L336 WeakPolarHBondContact O-CB 3.35Å; V332-L336 PolarHBondContact O-N 2.85Å; S333-L336 PolarHBondContact O-N 2.76Å; L336-K338 PolarHBondContact O-N 2.85Å; L336-Q339 PolarHBondContact O-N 3.45Å; L336-G340 PolarHBondContact O-N 3.02Å |
| 337 | A | 64.3 | Low | 62.6 | Low | 84 Ų | 84 | 110.2 Ų | 110.2 | 69% | 0.694 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -61.6 | -26.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S333 S335 | S333-A337 WeakPolarHBondContact O-CB 2.86Å; S333-A337 PolarHBondContact O-N 2.71Å; S335-A337 VanDerWaalsContact C-N 3.33Å; S335-A337 PolarHBondContact O-N 2.97Å |
| 338 | K | 65 | Low | 61.3 | Low | 176 Ų | 176 | 115 Ų | 115 | 77% | 0.765 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -87.2 | -17.1 | 176.6 | -72.5 | 167.8 | -172.8 | 170.6 | 0 | 113.9 | A334 S335 L336 | A334-K338 WeakPolarHBondContact O-CD 3.29Å; A334-K338 VanDerWaalsContact O-CG 3.23Å; A334-K338 WeakPolarHBondContact O-CG 3.37Å; A334-K338 PolarHBondContact O-N 2.77Å; S335-K338 PolarHBondContact O-N 2.8Å; L336-K338 PolarHBondContact O-N 2.85Å |
| 339 | Q | 59.1 | Low | 60 | Low | 164 Ų | 164 | 116.5 Ų | 116.5 | 77% | 0.766 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -110.6 | -11.6 | -179.7 | -65.2 | -167.7 | -68.9 | 0 | 0 | 114.6 | S335 L336 K341 | S335-Q339 PolarHBondContact O-N 2.8Å; S335-Q339 VanDerWaalsContact O-N 3.12Å; L336-Q339 PolarHBondContact O-N 3.45Å; Q339-K341 VanDerWaalsContact C-N 3.27Å; Q339-K341 PolarHBondContact O-N 2.69Å |
| 340 | G | 51.1 | Low | 58.8 | Low | 56 Ų | 56 | 125 Ų | 125 | 58% | 0.577 | 71% | 0.709 | S | S | * | * | | | trans | -68 | 49.2 | -167.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | L336 | L336-G340 PolarHBondContact O-N 3.02Š|
| 341 | K | 48 | Very low | 57.6 | Low | 200 Ų | 200 | 126.1 Ų | 126.1 | 87% | 0.87 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -74.7 | 136.8 | 150.8 | -77.6 | -175.5 | 177.2 | 178.9 | 0 | 108.4 | Q339 | Q339-K341 VanDerWaalsContact C-N 3.27Å; Q339-K341 PolarHBondContact O-N 2.69Å |
| 342 | A | 45.6 | Very low | 56.3 | Low | 106 Ų | 106 | 131.5 Ų | 131.5 | 88% | 0.876 | 73% | 0.731 | S | S | * | * | | | trans | 67.6 | 80.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 343 | A | 48.2 | Very low | 54.9 | Low | 92 Ų | 92 | 131.7 Ų | 131.7 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | | | trans | -140.2 | 27.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 344 | L | 45.5 | Very low | 54 | Low | 172 Ų | 172 | 137.4 Ų | 137.4 | 90% | 0.901 | 76% | 0.756 | S | S | * | * | | | trans | -99.2 | 35.4 | -172.8 | -70.5 | 177.1 | 0 | 0 | 0 | 114.5 | | |
| 345 | L | 47.1 | Very low | 52.6 | Low | 173 Ų | 173 | 142.8 Ų | 142.8 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | | | trans | -145.6 | 93.2 | 171.9 | -82.8 | 106 | 0 | 0 | 0 | 111.4 | | |
| 346 | S | 40.1 | Very low | 51.3 | Low | 111 Ų | 111 | 148.4 Ų | 148.4 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -162.9 | -24.1 | 165.1 | -167 | 0 | 0 | 0 | 0 | 116 | Q348 | S346-Q348 PolarHBondContact O-N 3.48Š|
| 347 | S | 46.7 | Very low | 50.8 | Low | 101 Ų | 101 | 147 Ų | 147 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | G | 310 helix | trans | -84.6 | -5.5 | -165.7 | -140.9 | 0 | 0 | 0 | 0 | 115.8 | V349 | S347-V349 VanDerWaalsContact C-N 3.25Å; S347-V349 PolarHBondContact O-N 3.2Å |
| 348 | Q | 47.4 | Very low | 50.2 | Low | 188 Ų | 188 | 149.2 Ų | 149.2 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | G | 310 helix | trans | -73 | -10.1 | -171 | -133.3 | 72.8 | 15.6 | 0 | 0 | 115.1 | S346 | S346-Q348 PolarHBondContact O-N 3.48Š|
| 349 | V | 49.5 | Very low | 49.5 | Very low | 126 Ų | 126 | 148.3 Ų | 148.3 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | G | 310 helix | trans | -100.1 | -18.8 | -161.4 | -179 | 0 | 0 | 0 | 0 | 113.9 | S347 | S347-V349 VanDerWaalsContact C-N 3.25Å; S347-V349 PolarHBondContact O-N 3.2Å |
| 350 | W | 48.1 | Very low | 49.1 | Very low | 234 Ų | 234 | 147.6 Ų | 147.6 | 89% | 0.886 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -96.8 | 1.7 | -162.5 | -130.7 | 73.9 | 0 | 0 | 0 | 116.8 | | |
| 351 | N | 53.4 | Low | 48.8 | Very low | 146 Ų | 146 | 152.1 Ų | 152.1 | 78% | 0.781 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -118.8 | 24 | -167.8 | -78 | -56.4 | 0 | 0 | 0 | 115.6 | | |
| 352 | Y | 52.7 | Low | 48.6 | Very low | 232 Ų | 232 | 150.6 Ų | 150.6 | 91% | 0.91 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -112.4 | 23.8 | -174.7 | -132.1 | -86.5 | 0 | 0 | 0 | 115.1 | | |
| 353 | S | 51 | Low | 48.4 | Very low | 105 Ų | 105 | 149.1 Ų | 149.1 | 73% | 0.734 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -139.7 | 27.4 | -162.6 | -167.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 354 | H | 57.3 | Low | 47.8 | Very low | 189 Ų | 189 | 156.8 Ų | 156.8 | 88% | 0.875 | 86% | 0.856 | S | S | * | * | S | Bend | trans | -146.7 | 13.1 | -178 | -114.6 | 90.3 | 0 | 0 | 0 | 117.8 | | |
| 355 | D | 46.5 | Very low | 48 | Very low | 158 Ų | 158 | 156 Ų | 156 | 85% | 0.845 | 85% | 0.854 | S | S | * | * | | | trans | -126.4 | 61.5 | -171.7 | -153.8 | 4.9 | 0 | 0 | 0 | 113.7 | | |
| 356 | L | 46.2 | Very low | 48 | Very low | 179 Ų | 179 | 155.1 Ų | 155.1 | 94% | 0.937 | 85% | 0.852 | S | S | * | * | | | trans | -150.4 | 58.5 | 171.5 | -87.6 | -178.1 | 0 | 0 | 0 | 110.6 | | |
| 357 | A | 53.5 | Low | 48.4 | Very low | 94 Ų | 94 | 157.6 Ų | 157.6 | 78% | 0.777 | 86% | 0.856 | S | S | * | * | S | Bend | trans | -147.9 | 16.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 358 | T | 51.6 | Low | 48.5 | Very low | 132 Ų | 132 | 160.9 Ų | 160.9 | 81% | 0.81 | 87% | 0.865 | S | S | * | * | | | trans | -145 | 165.7 | 174.2 | -35.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 359 | I | 50.7 | Low | 48.6 | Very low | 156 Ų | 156 | 159.2 Ų | 159.2 | 80% | 0.8 | 86% | 0.864 | S | S | * | * | | | trans | 78.5 | 64.4 | 177.8 | -41 | 172.6 | 0 | 0 | 0 | 114.6 | | |
| 360 | T | 51 | Low | 48.6 | Very low | 150 Ų | 150 | 161.4 Ų | 161.4 | 92% | 0.92 | 87% | 0.87 | S | S | * | * | | | trans | -144.7 | 67.1 | 148.2 | 55.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 361 | D | 45.5 | Very low | 48.6 | Very low | 150 Ų | 150 | 156.2 Ų | 156.2 | 80% | 0.802 | 87% | 0.869 | S | S | * | * | | | trans | -150.9 | 155.3 | 161.3 | -168 | 10.8 | 0 | 0 | 0 | 108.3 | | |
| 362 | L | 44 | Very low | 48.2 | Very low | 169 Ų | 169 | 157 Ų | 157 | 89% | 0.885 | 88% | 0.876 | S | S | * | * | S | Bend | trans | 69 | 106.9 | -161.5 | -52.9 | 167.9 | 0 | 0 | 0 | 113.8 | | |
| 363 | G | 41.6 | Very low | 47.9 | Very low | 75 Ų | 75 | 150.8 Ų | 150.8 | 77% | 0.773 | 87% | 0.873 | S | S | * | * | | | trans | -178.7 | -38.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 364 | L | 35.7 | Very low | 47.6 | Very low | 252 Ų | 252 | 154.9 Ų | 154.9 | 100% | 1.319 | 89% | 0.886 | S | S | * | * | | | trans | -163.9 | 0 | 172 | -138.4 | 73.8 | 0 | 0 | 0 | 112 | | |