| 1 | M | 31.2 | Very low | 31.2 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 84% | 0.842 | 75% | 0.753 | S | S | * | * | | | | 0 | 89.7 | 0 | -93.4 | -147.8 | -160.2 | 0 | 0 | 110.3 | S916 | M1-S916 WeakPolarHBondContact CE-OG 3.08Š|
| 2 | D | 35.1 | Very low | 31.1 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | | | | 57.4 | 111.5 | 120.5 | -84.5 | -24.8 | 0 | 0 | 0 | 111 | | |
| 3 | E | 34.5 | Very low | 31 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | | | | 146.2 | 106.4 | 106.3 | -124.7 | 178.4 | 176.2 | 0 | 0 | 109.6 | | |
| 4 | M | 35.1 | Very low | 30.9 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | | | | 92.6 | 106.5 | 85.8 | -105.6 | 164.4 | -169.5 | 0 | 0 | 110 | | |
| 5 | N | 36 | Very low | 30.8 | Very low | 150 Ų | 150 | 145.3 Ų | 145.3 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | | | | 147.9 | 0 | 84.9 | -91.4 | -12.9 | 0 | 0 | 0 | 109.8 | | |
| 6 | S | 32 | Very low | 30.8 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | | | | 0 | 126 | 0 | 176.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 7 | C | 26.9 | Very low | 31 | Very low | 93 Ų | 93 | 143.5 Ų | 143.5 | 63% | 0.628 | 75% | 0.747 | S | S | * | * | | | | 147.3 | 131.9 | 115.8 | -90.6 | 0 | 0 | 0 | 0 | 109.1 | M909 | C7-M909 HydrophobicContact CB-CE 4.46Å; C7-M909 WeakPolarHBondContact O-CE 3.27Å |
| 8 | V | 29.2 | Very low | 31 | Very low | 83 Ų | 83 | 142.8 Ų | 142.8 | 50% | 0.503 | 75% | 0.745 | S | S | . | * | | | | 90.1 | 127.1 | 104.6 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | M909 | V8-M909 HydrophobicContact CB-CE 3.27Å; V8-M909 HydrophobicContact CG1-CE 4.14Å; V8-M909 HydrophobicContact CG2-CE 4.5Å; V8-M909 CovalentContact O-CE 1.62Å; V8-M909 WeakPolarHBondContact O-CE 2.55Å |
| 9 | F | 27.8 | Very low | 31.3 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 75% | 0.75 | 75% | 0.749 | S | S | * | * | | | | 115.4 | 128.5 | 101.5 | -109.7 | -85.9 | 0 | 0 | 0 | 109.5 | | |
| 10 | T | 28.4 | Very low | 31.2 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | | | | 128.6 | 124.5 | 103.8 | 50.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 11 | R | 27.3 | Very low | 32 | Very low | 233 Ų | 233 | 140.5 Ų | 140.5 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | | | | 74.5 | 122.5 | 99.7 | -141.7 | 175 | -172.2 | -174 | -0.3 | 110.3 | | |
| 12 | S | 29.9 | Very low | 32.1 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | | | | 176.6 | 111.8 | 128.8 | -69 | 0 | 0 | 0 | 0 | 109.1 | | |
| 13 | V | 29.5 | Very low | 31.8 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | | | | 11.2 | 117.7 | 109.4 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 14 | D | 29 | Very low | 31.3 | Very low | 113 Ų | 113 | 133 Ų | 133 | 60% | 0.604 | 74% | 0.737 | S | S | * | * | | | | 169.3 | 116.7 | 116.5 | -106.9 | -16.6 | 0 | 0 | 0 | 109.3 | | |
| 15 | R | 29.4 | Very low | 31 | Very low | 217 Ų | 217 | 133.2 Ų | 133.2 | 82% | 0.819 | 74% | 0.74 | S | S | * | * | | | | 112.8 | 117.6 | 90.6 | -104.9 | -175.5 | 175.8 | 151.9 | 0.4 | 109.6 | | |
| 16 | S | 31.3 | Very low | 30.7 | Very low | 96 Ų | 96 | 130 Ų | 130 | 67% | 0.671 | 73% | 0.726 | S | S | * | * | | | | 153.7 | 111.1 | 104.1 | 70.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 17 | E | 33.7 | Very low | 30.4 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | | | | 118.9 | 113.3 | 93.3 | -91.4 | -178.9 | 158.8 | 0 | 0 | 109.9 | | |
| 18 | D | 32.2 | Very low | 30.4 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | | 109 | 102.9 | 103.6 | -104.9 | -19.2 | 0 | 0 | 0 | 109.8 | | |
| 19 | D | 35.6 | Very low | 30.5 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | | | | 167.4 | 97.1 | 114.7 | -111 | -24.8 | 0 | 0 | 0 | 109.3 | | |
| 20 | S | 30.2 | Very low | 30.6 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | | | | 36.8 | 138 | 112.8 | -82.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 21 | P | 47.4 | Very low | 30.7 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | | | trans | -96 | 176.9 | -179.3 | 34.5 | -5.5 | 0 | 0 | 0 | 112 | | |
| 22 | P | 34.4 | Very low | 31 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | | | | -163.4 | 142.2 | 110.2 | 34.1 | -5.5 | 0 | 0 | 0 | 111.9 | | |
| 23 | V | 27.2 | Very low | 31.2 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 75% | 0.745 | 73% | 0.731 | S | S | * | * | | | | 36.3 | 118.9 | 106.6 | -179.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 24 | C | 25.3 | Very low | 31.4 | Very low | 104 Ų | 104 | 133 Ų | 133 | 70% | 0.703 | 72% | 0.722 | S | S | * | * | | | | 131 | 128.5 | 96.5 | -80.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 25 | L | 27.9 | Very low | 31.7 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 82% | 0.822 | 71% | 0.708 | S | S | * | * | | | | 148.4 | 124.9 | 110.4 | -122.4 | 139.9 | 0 | 0 | 0 | 109.2 | | |
| 26 | V | 29.5 | Very low | 31.9 | Very low | 84 Ų | 84 | 122.8 Ų | 122.8 | 51% | 0.509 | 69% | 0.688 | S | S | . | * | | | | 111.9 | 119.4 | 101.8 | 174.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 27 | E | 25.9 | Very low | 32 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | | | | 93.2 | 114.9 | 109 | -117.9 | -177.4 | 174.2 | 0 | 0 | 110.1 | | |
| 28 | L | 26.6 | Very low | 32.1 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 67% | 0.665 | 70% | 0.701 | S | S | * | * | | | | 98.8 | 109.5 | 116 | -108.6 | 130.5 | 0 | 0 | 0 | 109.6 | | |
| 29 | I | 32.4 | Very low | 32.3 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | | | | 139.9 | 107.2 | 121 | -55.9 | 174.1 | 0 | 0 | 0 | 108.1 | | |
| 30 | N | 29.9 | Very low | 32.2 | Very low | 143 Ų | 143 | 128.6 Ų | 128.6 | 77% | 0.765 | 71% | 0.709 | S | S | * | * | | | | 62.9 | 115.4 | 115.8 | -101.3 | -4.1 | 0 | 0 | 0 | 110.9 | | |
| 31 | S | 29.7 | Very low | 32.5 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | | | | 67 | 113.4 | 120.5 | 22.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 32 | K | 33.3 | Very low | 32.1 | Very low | 195 Ų | 195 | 128.1 Ų | 128.1 | 85% | 0.848 | 70% | 0.704 | S | S | * | * | | | | 80.2 | 120.2 | 109.2 | -119.5 | 173.8 | -179.8 | 174.8 | 0 | 110.2 | | |
| 33 | T | 34.6 | Very low | 32.2 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 71% | 0.712 | 70% | 0.702 | S | S | * | * | | | | 114.8 | 124.6 | 105.7 | 26.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 34 | K | 33.3 | Very low | 32.7 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 55% | 0.548 | 70% | 0.703 | S | S | . | * | | | | 33.8 | 124 | 110.6 | -145 | 174.5 | -179.7 | -176.4 | 0 | 111.7 | | |
| 35 | V | 35.5 | Very low | 33.2 | Very low | 51 Ų | 51 | 132 Ų | 132 | 31% | 0.309 | 71% | 0.712 | S | S | . | * | | | | 139.1 | 135.9 | 90.4 | 172.7 | 0 | 0 | 0 | 0 | 108.6 | S1517 S1518 | V35-S1517 WeakPolarHBondContact CA-OG 2.64Å; V35-S1517 WeakPolarHBondContact CB-OG 3.26Å; V35-S1517 VanDerWaalsContact CG1-CA 3.4Å; V35-S1517 WeakPolarHBondContact CG1-OG 2.7Å; V35-S1517 WeakPolarHBondContact CG2-OG 3.27Å; V35-S1518 WeakPolarHBondContact CG1-OG 3.4Å |
| 36 | T | 34.5 | Very low | 33.3 | Very low | 64 Ų | 64 | 128.4 Ų | 128.4 | 39% | 0.393 | 71% | 0.712 | S | S | . | * | | | | 123 | 140 | 67.9 | 40.7 | 0 | 0 | 0 | 0 | 109.7 | S1517 S1518 | T36-S1517 WeakPolarHBondContact CA-OG 3.37Å; T36-S1517 WeakPolarHBondContact CB-OG 3.01Å; T36-S1517 CovalentContact CG2-OG 0.97Å; T36-S1517 WeakPolarHBondContact CG2-OG 3.42Å; T36-S1517 PolarHBondContact OG1-OG 3.47Å; T36-S1518 WeakPolarHBondContact OG1-CB 3.39Å; T36-S1518 PolarHBondContact OG1-OG 3.06Å |
| 37 | D | 32.3 | Very low | 33.6 | Very low | 169 Ų | 169 | 128 Ų | 128 | 90% | 0.904 | 73% | 0.725 | S | S | * | * | | | trans | -139.5 | 129.4 | 139 | -86.7 | -21.3 | 0 | 0 | 0 | 109.6 | | |
| 38 | T | 36.4 | Very low | 34.1 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | | | trans | -83.8 | 147.5 | 156.6 | 28.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 39 | H | 36.5 | Very low | 34.4 | Very low | 197 Ų | 197 | 128.3 Ų | 128.3 | 91% | 0.912 | 73% | 0.729 | S | S | * | * | | | trans | -133.7 | 131.9 | 143.3 | -98.4 | -84.3 | 0 | 0 | 0 | 109.7 | | |
| 40 | E | 34.4 | Very low | 34.5 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | | | | -20.1 | 0 | 122.5 | -140.3 | -175.4 | 160.6 | 0 | 0 | 112.1 | | |
| 41 | S | 34.9 | Very low | 34.7 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | | | | 0 | 0 | 0 | -56.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 42 | T | 39.2 | Very low | 34.6 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | | | | 0 | 0 | 0 | -39.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 43 | E | 36.7 | Very low | 34.5 | Very low | 157 Ų | 157 | 127.3 Ų | 127.3 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | | | | 0 | 0 | 0 | -94.8 | -157.6 | 164.4 | 0 | 0 | 110 | | |
| 44 | L | 38.5 | Very low | 34.2 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | | | | 0 | 0 | 0 | -80.9 | 165.4 | 0 | 0 | 0 | 109.4 | | |
| 45 | S | 34.7 | Very low | 34.2 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 90% | 0.895 | 75% | 0.751 | S | S | * | * | | | | 0 | 0 | 0 | 168.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 46 | G | 30.1 | Very low | 34.1 | Very low | 80 Ų | 80 | 137.7 Ų | 137.7 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 47 | G | 35.5 | Very low | 34.1 | Very low | 75 Ų | 75 | 140.5 Ų | 140.5 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 48 | K | 38.3 | Very low | 34 | Very low | 203 Ų | 203 | 135.8 Ų | 135.8 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | | 0 | 134 | 0 | -82.3 | 179.9 | 177.7 | 175.9 | 0 | 110.2 | | |
| 49 | S | 32.7 | Very low | 33.8 | Very low | 88 Ų | 88 | 138 Ų | 138 | 62% | 0.615 | 80% | 0.796 | S | S | * | * | | | | 77.5 | 0 | 83.3 | 44.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 50 | N | 33.1 | Very low | 33.6 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | | 0 | 0 | 0 | -93.4 | -22.3 | 0 | 0 | 0 | 109.9 | | |
| 51 | I | 35.1 | Very low | 33.4 | Very low | 169 Ų | 169 | 129.9 Ų | 129.9 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | | | | 0 | 129.3 | 0 | -81.3 | 164.2 | 0 | 0 | 0 | 108 | | |
| 52 | S | 27.2 | Very low | 33.3 | Very low | 95 Ų | 95 | 133.7 Ų | 133.7 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | | | | 8 | 0 | 111.8 | -170.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 53 | L | 31.9 | Very low | 33 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | | 0 | 132.4 | 0 | -78.6 | 170.7 | 0 | 0 | 0 | 109.3 | | |
| 54 | Q | 28.1 | Very low | 32.7 | Very low | 176 Ų | 176 | 130.9 Ų | 130.9 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | | | | 74 | 0 | 84.1 | -154.9 | 143 | 23.8 | 0 | 0 | 110.5 | | |
| 55 | E | 32 | Very low | 32.4 | Very low | 181 Ų | 181 | 127.2 Ų | 127.2 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | | 0 | 122.7 | 0 | -92.1 | -173.5 | 172 | 0 | 0 | 109.3 | | |
| 56 | N | 33.3 | Very low | 32.2 | Very low | 155 Ų | 155 | 128.9 Ų | 128.9 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | | | | 82.6 | 0 | 105.3 | -101.7 | -1.8 | 0 | 0 | 0 | 111 | | |
| 57 | S | 34.3 | Very low | 32.2 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | | 0 | 0 | 0 | 56 | 0 | 0 | 0 | 0 | 109.8 | | |
| 58 | G | 31.4 | Very low | 32.5 | Very low | 70 Ų | 70 | 132.4 Ų | 132.4 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 59 | N | 33 | Very low | 32 | Very low | 177 Ų | 177 | 130 Ų | 130 | 95% | 0.947 | 79% | 0.787 | S | S | * | * | | | | 0 | 0 | 0 | -93.7 | 23 | 0 | 0 | 0 | 110.4 | | |
| 60 | G | 31.9 | Very low | 31.8 | Very low | 69 Ų | 69 | 135.8 Ų | 135.8 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 61 | C | 28.8 | Very low | 31.7 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | | 0 | 0 | 0 | -89.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 62 | K | 33 | Very low | 31.5 | Very low | 193 Ų | 193 | 129.8 Ų | 129.8 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | | 0 | 0 | 0 | -122.8 | 174.8 | -179.3 | 177.4 | 0 | 110.1 | | |
| 63 | V | 32.4 | Very low | 31.8 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 75% | 0.745 | 80% | 0.804 | S | S | * | * | | | | 0 | 0 | 0 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 64 | G | 31.5 | Very low | 31.8 | Very low | 77 Ų | 77 | 128.8 Ų | 128.8 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | | 0 | 123.3 | 0 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 65 | G | 32.1 | Very low | 32 | Very low | 70 Ų | 70 | 125.3 Ų | 125.3 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | | 108.6 | 0 | 93.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 66 | I | 31.5 | Very low | 32 | Very low | 163 Ų | 163 | 124.3 Ų | 124.3 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | | | | 0 | 118.7 | 0 | -60.5 | 175.6 | 0 | 0 | 0 | 108.5 | | |
| 67 | C | 30.1 | Very low | 31.7 | Very low | 122 Ų | 122 | 121.2 Ų | 121.2 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | | 80.9 | 0 | 98.9 | -88.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 68 | P | 40.4 | Very low | 31.6 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 69% | 0.688 | 78% | 0.782 | S | S | * | * | | | | 0 | 0 | 0 | 34 | -4.9 | 0 | 0 | 0 | 112 | | |
| 69 | I | 28.1 | Very low | 31.5 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | | 0 | 132.6 | 0 | -38.7 | 175.4 | 0 | 0 | 0 | 108.1 | | |
| 70 | K | 29.3 | Very low | 31.5 | Very low | 208 Ų | 208 | 124.6 Ų | 124.6 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | | | | -171.1 | 127.7 | 122.6 | -108.1 | 179.4 | -176.2 | 179.1 | 0 | 109.3 | | |
| 71 | S | 31.3 | Very low | 31.4 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | | | trans | -59.6 | 0 | 136.8 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 72 | G | 30.2 | Very low | 31.5 | Very low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | | | | 0 | 130.2 | 0 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 73 | S | 33.4 | Very low | 31.5 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | | 96.7 | 134.1 | 100.1 | -35.6 | 0 | 0 | 0 | 0 | 110 | | |
| 74 | S | 31.2 | Very low | 31.6 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | | 93 | 128.4 | 100.4 | 38.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 75 | S | 33.1 | Very low | 31.6 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | | 87.9 | 124.7 | 102.3 | 49.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 76 | I | 32 | Very low | 32.1 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 82% | 0.821 | 77% | 0.771 | S | S | * | * | | | | 101.2 | 117.4 | 102.7 | -82.6 | 157.9 | 0 | 0 | 0 | 108.6 | | |
| 77 | S | 27.8 | Very low | 32.1 | Very low | 91 Ų | 91 | 135.5 Ų | 135.5 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | | 90 | 0 | 91.1 | 89.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 78 | F | 30.5 | Very low | 32.5 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 77% | 0.768 | 76% | 0.758 | S | S | * | * | | | | 0 | 132.6 | 0 | -99.6 | -82.6 | 0 | 0 | 0 | 109.3 | | |
| 79 | H | 30.9 | Very low | 32.1 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 68% | 0.676 | 76% | 0.76 | S | S | * | * | | | | 144.6 | 128.9 | 98.1 | -103.4 | -79.6 | 0 | 0 | 0 | 109.5 | | |
| 80 | D | 31 | Very low | 32.3 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 64% | 0.642 | 75% | 0.753 | S | S | * | * | | | | 111 | 0 | 84.5 | -120.5 | -11.1 | 0 | 0 | 0 | 109.9 | | |
| 81 | L | 30.6 | Very low | 32.4 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | | 0 | 122.7 | 0 | -74.6 | 168.4 | 0 | 0 | 0 | 109.2 | | |
| 82 | K | 31.7 | Very low | 32.5 | Very low | 200 Ų | 200 | 126.9 Ų | 126.9 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | | | | -175.3 | 116.5 | 110 | -144.4 | 142.5 | 178.2 | -175 | 0 | 109.5 | | |
| 83 | S | 33 | Very low | 32.7 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | | | | 100.6 | 0 | 83.2 | 65.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 84 | K | 33.8 | Very low | 32.7 | Very low | 205 Ų | 205 | 128.5 Ų | 128.5 | 89% | 0.891 | 73% | 0.733 | S | S | * | * | | | | 0 | 115.4 | 0 | -128.5 | 164.8 | -174.5 | -176 | 0 | 109.7 | | |
| 85 | S | 31.2 | Very low | 33.1 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | | | | -5.1 | 0 | 128.6 | 80.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 86 | P | 42.2 | Very low | 33.4 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | | | | 0 | 145.8 | 0 | 33.8 | -4.9 | 0 | 0 | 0 | 111.8 | | |
| 87 | L | 31.8 | Very low | 33.5 | Very low | 169 Ų | 169 | 130.4 Ų | 130.4 | 89% | 0.885 | 73% | 0.726 | S | S | * | * | | | trans | 30.8 | 0 | 147 | -72.4 | 173.9 | 0 | 0 | 0 | 111.2 | | |
| 88 | P | 38.3 | Very low | 33.8 | Very low | 78 Ų | 78 | 132.5 Ų | 132.5 | 51% | 0.506 | 73% | 0.73 | S | S | . | * | | | | 0 | 0 | 0 | 34 | -5.1 | 0 | 0 | 0 | 112.1 | | |
| 89 | V | 32.3 | Very low | 34.1 | Very low | 123 Ų | 123 | 128 Ų | 128 | 75% | 0.745 | 73% | 0.733 | S | S | * | * | | | | 0 | 134.9 | 0 | 176.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 90 | V | 32 | Very low | 34.1 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 63% | 0.63 | 73% | 0.733 | S | S | * | * | | | | 121.9 | 136.3 | 88.4 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 91 | T | 33.2 | Very low | 34.4 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 69% | 0.693 | 74% | 0.736 | S | S | * | * | | | | 143.7 | 131.3 | 93.3 | 51.2 | 0 | 0 | 0 | 0 | 109 | | |
| 92 | S | 32.5 | Very low | 34.6 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | | | | 122.6 | 124.7 | 97.2 | 55.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 93 | A | 33.4 | Very low | 34.5 | Very low | 77 Ų | 77 | 122.5 Ų | 122.5 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | | | | 103.7 | 120.8 | 95.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 94 | D | 34.6 | Very low | 34.4 | Very low | 146 Ų | 146 | 121.9 Ų | 121.9 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | | | | 139.6 | 109.9 | 105.2 | -78.9 | -28.3 | 0 | 0 | 0 | 109.4 | | |
| 95 | D | 39 | Very low | 34.1 | Very low | 140 Ų | 140 | 116.3 Ų | 116.3 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | | | | -173 | 100.4 | 115.2 | -94.5 | -19 | 0 | 0 | 0 | 109.4 | | |
| 96 | K | 39.8 | Very low | 34.1 | Very low | 186 Ų | 186 | 115.9 Ų | 115.9 | 81% | 0.809 | 71% | 0.707 | S | S | * | * | | | | 89.5 | 93.9 | 92.6 | -95.8 | -173 | -179.4 | 159.7 | 0 | 110.4 | | |
| 97 | S | 33.8 | Very low | 33.6 | Very low | 82 Ų | 82 | 118.3 Ų | 118.3 | 57% | 0.573 | 71% | 0.708 | S | S | * | * | | | | 48.5 | 117.6 | 88.6 | 63.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 98 | D | 33.5 | Very low | 33.6 | Very low | 135 Ų | 135 | 117.6 Ų | 117.6 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | | | | 102.1 | 110.5 | 81.8 | -79.4 | -26.2 | 0 | 0 | 0 | 109.8 | L100 | D98-L100 HydrophobicContact CB-CD1 4.27Å; D98-L100 HydrophobicContact CB-CG 4.33Å |
| 99 | G | 37.9 | Very low | 33.4 | Very low | 80 Ų | 80 | 118.5 Ų | 118.5 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | | | trans | -164.1 | 92.1 | 131 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 100 | L | 31.4 | Very low | 34 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | | | | 53.9 | 121.8 | 87.1 | -70.3 | 174.4 | 0 | 0 | 0 | 110.8 | D98 | D98-L100 HydrophobicContact CB-CD1 4.27Å; D98-L100 HydrophobicContact CB-CG 4.33Å |
| 101 | S | 37.5 | Very low | 34.3 | Very low | 102 Ų | 102 | 121 Ų | 121 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | | | | 143.7 | 0 | 105.8 | 46.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 102 | N | 34.4 | Very low | 34.1 | Very low | 143 Ų | 143 | 126.9 Ų | 126.9 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | | | | 0 | 0 | 0 | -82.3 | -7.6 | 0 | 0 | 0 | 110.2 | | |
| 103 | T | 29.8 | Very low | 34 | Very low | 129 Ų | 129 | 126 Ų | 126 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | | | | 0 | 0 | 0 | 34.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 104 | V | 29.4 | Very low | 34 | Very low | 87 Ų | 87 | 129 Ų | 129 | 53% | 0.527 | 73% | 0.73 | S | S | . | * | | | | 0 | 0 | 0 | 174.8 | 0 | 0 | 0 | 0 | 108.3 | S106 E107 | V104-S106 WeakPolarHBondContact CG1-O 2.88Å; V104-E107 HydrophobicContact CG1-CB 3.85Å; V104-E107 WeakPolarHBondContact CG1-O 2.77Å |
| 105 | S | 28.7 | Very low | 33.9 | Very low | 87 Ų | 87 | 127.8 Ų | 127.8 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | | | | 0 | 101.8 | 0 | -75.1 | 0 | 0 | 0 | 0 | 111.1 | E107 | S105-E107 PolarHBondContact O-N 3.3Å; S105-E107 VanDerWaalsContact O-O 3.1Å |
| 106 | S | 30.2 | Very low | 34 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | S | Bend | | 30.2 | 88.7 | 125.7 | 53.9 | 0 | 0 | 0 | 0 | 111.1 | V104 | V104-S106 WeakPolarHBondContact CG1-O 2.88Š|
| 107 | E | 31.7 | Very low | 34.1 | Very low | 165 Ų | 165 | 124.4 Ų | 124.4 | 77% | 0.771 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 107.2 | 0 | 157.1 | -76.4 | -141.2 | 154.3 | 0 | 0 | 110.1 | V104 S105 | V104-E107 HydrophobicContact CG1-CB 3.85Å; V104-E107 WeakPolarHBondContact CG1-O 2.77Å; S105-E107 PolarHBondContact O-N 3.3Å; S105-E107 VanDerWaalsContact O-O 3.1Å |
| 108 | D | 31.6 | Very low | 34.1 | Very low | 155 Ų | 155 | 126.3 Ų | 126.3 | 83% | 0.829 | 72% | 0.717 | S | S | * | * | | | | 0 | 0 | 0 | -90.8 | -20.5 | 0 | 0 | 0 | 111.6 | | |
| 109 | P | 35.7 | Very low | 34.3 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 63% | 0.63 | 71% | 0.71 | S | S | * | * | | | | 0 | 0 | 0 | 33.5 | -4 | 0 | 0 | 0 | 112 | | |
| 110 | L | 44.3 | Very low | 34.3 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 86% | 0.859 | 70% | 0.699 | S | S | * | * | | | | 0 | 156 | 0 | -78.2 | 163.9 | 0 | 0 | 0 | 111.1 | | |
| 111 | P | 38.3 | Very low | 34.3 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 75% | 0.747 | 70% | 0.698 | S | S | * | * | | | | -176.4 | 125 | 99.2 | 33.9 | -5.4 | 0 | 0 | 0 | 111.8 | | |
| 112 | R | 28.8 | Very low | 34.4 | Very low | 236 Ų | 236 | 124.5 Ų | 124.5 | 89% | 0.891 | 68% | 0.683 | S | S | * | * | | | | 121.6 | 106.3 | 120.4 | -113.7 | -167.9 | -136.4 | -176.6 | 1.3 | 109.6 | | |
| 113 | S | 29.6 | Very low | 34.3 | Very low | 90 Ų | 90 | 122.4 Ų | 122.4 | 63% | 0.629 | 68% | 0.675 | S | S | * | * | | | | 138.9 | 96.5 | 90.7 | -77 | 0 | 0 | 0 | 0 | 109.6 | | |
| 114 | I | 33.6 | Very low | 34.1 | Very low | 140 Ų | 140 | 123.1 Ų | 123.1 | 72% | 0.718 | 67% | 0.671 | S | S | * | * | | | | 167.8 | 97.5 | 105.2 | -62.7 | 167.3 | 0 | 0 | 0 | 107.9 | | |
| 115 | D | 33.8 | Very low | 34.1 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | | | | 115.7 | 101.8 | 109 | -110 | -15.5 | 0 | 0 | 0 | 109.9 | | |
| 116 | L | 40.6 | Very low | 34.4 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 62% | 0.623 | 69% | 0.693 | S | S | * | * | | | | 86.7 | 94.4 | 105.3 | -81.7 | 149 | 0 | 0 | 0 | 110.3 | | |
| 117 | D | 41.6 | Very low | 34.7 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | | | | 174 | 0 | 101.4 | -89.4 | -21.7 | 0 | 0 | 0 | 109.3 | | |
| 118 | N | 33.2 | Very low | 34.5 | Very low | 121 Ų | 121 | 129 Ų | 129 | 65% | 0.647 | 69% | 0.691 | S | S | * | * | | | | 0 | 107.6 | 0 | -90.3 | 3.6 | 0 | 0 | 0 | 111.8 | | |
| 119 | T | 38.1 | Very low | 34.5 | Very low | 95 Ų | 95 | 126.8 Ų | 126.8 | 58% | 0.583 | 69% | 0.687 | S | S | * | * | | | | 112.5 | 106.4 | 103.4 | 24.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 120 | H | 38.9 | Very low | 34.4 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 59% | 0.593 | 69% | 0.694 | S | S | * | * | | | | 112.3 | 100.1 | 96.3 | -123.6 | -79.9 | 0 | 0 | 0 | 110 | P122 | H120-P122 WeakPolarHBondContact ND1-CG 2.79Š|
| 121 | L | 30.2 | Very low | 33.8 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 65% | 0.654 | 69% | 0.688 | S | S | * | * | | | | 62.6 | 140.2 | 94.9 | -112.1 | 108.8 | 0 | 0 | 0 | 110.6 | T123 | L121-T123 HydrophobicContact CD2-CG2 4.12Š|
| 122 | P | 40.5 | Very low | 33.4 | Very low | 60 Ų | 60 | 125.4 Ų | 125.4 | 39% | 0.39 | 68% | 0.679 | S | S | . | * | | | cis | 139.3 | 145.9 | 22.9 | 34.7 | -6.1 | 0 | 0 | 0 | 112.2 | H120 | H120-P122 WeakPolarHBondContact ND1-CG 2.79Š|
| 123 | T | 31.3 | Very low | 33.5 | Very low | 99 Ų | 99 | 120.3 Ų | 120.3 | 61% | 0.607 | 67% | 0.67 | S | S | * | * | | | | 139 | 109.1 | 124.9 | 32.9 | 0 | 0 | 0 | 0 | 109.2 | L121 | L121-T123 HydrophobicContact CD2-CG2 4.12Š|
| 124 | M | 26.7 | Very low | 33.9 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 71% | 0.709 | 68% | 0.68 | S | S | * | * | | | | 90.3 | 107.3 | 92.5 | -83.4 | -144.5 | 130.8 | 0 | 0 | 110.1 | | |
| 125 | K | 29.6 | Very low | 33.7 | Very low | 179 Ų | 179 | 125.8 Ų | 125.8 | 78% | 0.778 | 68% | 0.681 | S | S | * | * | | | | 126.3 | 95.2 | 105 | -125.5 | 175 | -177.7 | 177.8 | 0 | 109.7 | | |
| 126 | E | 33.6 | Very low | 33.9 | Very low | 174 Ų | 174 | 124.9 Ų | 124.9 | 81% | 0.813 | 69% | 0.691 | S | S | * | * | | | | 42.6 | 151.5 | 114.5 | -104.7 | -155.2 | 168.9 | 0 | 0 | 111.3 | | |
| 127 | P | 37 | Very low | 33.6 | Very low | 100 Ų | 100 | 124.4 Ų | 124.4 | 65% | 0.649 | 69% | 0.689 | S | S | * | * | | | | 165.6 | 131.8 | 64.5 | 33.8 | -4.8 | 0 | 0 | 0 | 111.9 | | |
| 128 | S | 27.9 | Very low | 32.9 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 79% | 0.79 | 69% | 0.689 | S | S | * | * | | | trans | 152.7 | 104.1 | 141.5 | 46 | 0 | 0 | 0 | 0 | 109.4 | | |
| 129 | S | 31.8 | Very low | 33 | Very low | 108 Ų | 108 | 127 Ų | 127 | 76% | 0.755 | 69% | 0.688 | S | S | * | * | | | | 162.8 | 107.7 | 110.9 | 58 | 0 | 0 | 0 | 0 | 109.6 | | |
| 130 | L | 32.4 | Very low | 32.6 | Very low | 146 Ų | 146 | 128.8 Ų | 128.8 | 76% | 0.764 | 69% | 0.694 | S | S | * | * | | | | 85.6 | 113.6 | 79.7 | -93.9 | 151.2 | 0 | 0 | 0 | 110.3 | | |
| 131 | T | 32.6 | Very low | 32.4 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 74% | 0.742 | 70% | 0.702 | S | S | * | * | | | | 94.8 | 110 | 125.5 | 48.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 132 | S | 30.1 | Very low | 32.6 | Very low | 80 Ų | 80 | 132.2 Ų | 132.2 | 56% | 0.559 | 71% | 0.712 | S | S | * | * | | | | 115.7 | 110.7 | 59.8 | 166.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 133 | N | 31.2 | Very low | 32.3 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 69% | 0.69 | 73% | 0.729 | S | S | * | * | | | | 154.4 | 93.6 | 113.5 | -84.4 | -20 | 0 | 0 | 0 | 109.7 | | |
| 134 | H | 37.1 | Very low | 32.3 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | | | trans | 142.6 | 98 | 169.2 | -98.6 | -55.7 | 0 | 0 | 0 | 109.5 | | |
| 135 | H | 30.7 | Very low | 32.5 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | | | | 68.1 | 102.6 | 107 | -112.2 | -46.1 | 0 | 0 | 0 | 110.5 | | |
| 136 | A | 37.8 | Very low | 32.7 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | | | | -4 | 0 | 124.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 137 | N | 32.8 | Very low | 32.7 | Very low | 108 Ų | 108 | 133 Ų | 133 | 58% | 0.578 | 75% | 0.75 | S | S | * | * | | | | 0 | 114.5 | 0 | -117.9 | -14.2 | 0 | 0 | 0 | 109.7 | | |
| 138 | R | 27.2 | Very low | 32.7 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | | | | 81.4 | 105.8 | 94 | -110 | -179.9 | 165 | 151.2 | -2.5 | 110.4 | | |
| 139 | D | 35.5 | Very low | 33 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 62% | 0.62 | 77% | 0.766 | S | S | * | * | | | | 132.2 | 101.9 | 121.6 | -82.6 | -28 | 0 | 0 | 0 | 109.4 | | |
| 140 | D | 29.9 | Very low | 33.1 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | | | | 64.4 | 110 | 95.1 | -68.2 | -34.3 | 0 | 0 | 0 | 110.7 | | |
| 141 | N | 35.3 | Very low | 33.3 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | | | | 167.1 | 105.1 | 110.4 | -88.9 | -10 | 0 | 0 | 0 | 109.7 | | |
| 142 | E | 33.6 | Very low | 33.3 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | | 106.7 | 0 | 97.6 | -110.8 | -176 | 167 | 0 | 0 | 110.1 | | |
| 143 | S | 33.6 | Very low | 33.5 | Very low | 108 Ų | 108 | 148.3 Ų | 148.3 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | | 0 | 0 | 0 | 122.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 144 | L | 32.2 | Very low | 33.6 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | | | | 0 | 120.4 | 0 | -89.1 | 152.6 | 0 | 0 | 0 | 109.5 | | |
| 145 | T | 31.8 | Very low | 33.5 | Very low | 138 Ų | 138 | 147 Ų | 147 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | | | trans | -37.4 | 0 | 135.3 | 41 | 0 | 0 | 0 | 0 | 111.5 | | |
| 146 | G | 32.5 | Very low | 33.8 | Very low | 76 Ų | 76 | 146.1 Ų | 146.1 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 147 | E | 34.8 | Very low | 33.5 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | | | | 0 | 0 | 0 | -69.9 | -151.9 | 164.1 | 0 | 0 | 109.5 | | |
| 148 | N | 35.8 | Very low | 33.6 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 92% | 0.92 | 78% | 0.781 | S | S | * | * | | | | 0 | 0 | 0 | -81.4 | -24.5 | 0 | 0 | 0 | 109.8 | | |
| 149 | Y | 34.6 | Very low | 33.9 | Very low | 220 Ų | 220 | 142.6 Ų | 142.6 | 86% | 0.863 | 78% | 0.78 | S | S | * | * | | | | 0 | 0 | 0 | -117.7 | -94.2 | 0 | 0 | 0 | 111.6 | | |
| 150 | L | 34 | Very low | 33.9 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | | | | 0 | 0 | 0 | -90.6 | 160 | 0 | 0 | 0 | 110.1 | | |
| 151 | Q | 35.5 | Very low | 34.4 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | | 0 | 0 | 0 | -154.6 | 103.3 | 21.2 | 0 | 0 | 109.4 | | |
| 152 | S | 34.4 | Very low | 34.3 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | | 0 | 0 | 0 | 56.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 153 | K | 33 | Very low | 34.6 | Very low | 206 Ų | 206 | 139.1 Ų | 139.1 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | | | | 0 | 0 | 0 | -125.3 | 165 | 178.2 | -170.6 | 0 | 109.7 | | |
| 154 | A | 33.5 | Very low | 34.7 | Very low | 89 Ų | 89 | 141.5 Ų | 141.5 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | | 0 | 120.1 | 0 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 155 | K | 35.9 | Very low | 35.1 | Very low | 192 Ų | 192 | 140.1 Ų | 140.1 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | | | | 126.4 | 115.1 | 94 | -123.9 | 158.2 | -177.3 | -179.5 | 0 | 109.6 | | |
| 156 | I | 35.7 | Very low | 35.4 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | | | | 123.6 | 0 | 95.4 | -71.6 | 165.5 | 0 | 0 | 0 | 108.2 | | |
| 157 | S | 31.3 | Very low | 35.9 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | | 0 | 0 | 0 | 168.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 158 | T | 35.2 | Very low | 36.5 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | | | | 0 | 0 | 0 | -45 | 0 | 0 | 0 | 0 | 109.3 | | |
| 159 | C | 33.8 | Very low | 36.7 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | | | | 0 | 0 | 0 | -70.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 160 | D | 36.4 | Very low | 36.8 | Very low | 128 Ų | 128 | 138 Ų | 138 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | | | | 0 | 0 | 0 | -104.4 | -21.7 | 0 | 0 | 0 | 109.7 | | |
| 161 | L | 39.3 | Very low | 37.1 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 64% | 0.644 | 76% | 0.759 | S | S | * | * | | | | 0 | 117.4 | 0 | -71.5 | 176.7 | 0 | 0 | 0 | 109.5 | | |
| 162 | E | 34 | Very low | 37.1 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | | | | 98.3 | 0 | 66.9 | -69.1 | -161.2 | 163.4 | 0 | 0 | 110.2 | | |
| 163 | A | 38.6 | Very low | 37.1 | Very low | 82 Ų | 82 | 141.7 Ų | 141.7 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | | 0 | 117 | 0 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 164 | E | 36.4 | Very low | 37.3 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | | | | 117.3 | 0 | 74.5 | -60 | -88.9 | 154.5 | 0 | 0 | 109.9 | | |
| 165 | D | 40 | Very low | 37.4 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | | 0 | 0 | 0 | -82.6 | -24.7 | 0 | 0 | 0 | 110.3 | | |
| 166 | E | 38.5 | Very low | 37 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | | | | 0 | 0 | 0 | -66.2 | -78.4 | 167.4 | 0 | 0 | 111 | | |
| 167 | D | 43.9 | Very low | 36.6 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | | | | 0 | 0 | 0 | -68.3 | -40.9 | 0 | 0 | 0 | 111.8 | | |
| 168 | D | 46.4 | Very low | 36.6 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | | | | 0 | 140.2 | 0 | -85.8 | -29.4 | 0 | 0 | 0 | 110 | | |
| 169 | V | 41 | Very low | 36.5 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | | | | 169.2 | 127.3 | 115.7 | -117.4 | 0 | 0 | 0 | 0 | 108 | | |
| 170 | D | 36.2 | Very low | 36.7 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | | | | 53.4 | 130.6 | 106.5 | -88.3 | -17.6 | 0 | 0 | 0 | 110.9 | | |
| 171 | L | 39.6 | Very low | 36.7 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | | | | 148.9 | 108 | 122.3 | -103.7 | 123.6 | 0 | 0 | 0 | 109 | | |
| 172 | E | 35.5 | Very low | 36.4 | Very low | 160 Ų | 160 | 143 Ų | 143 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | | 77.2 | 118.5 | 103.6 | -73.9 | -117 | 168.5 | 0 | 0 | 110.3 | | |
| 173 | D | 35.8 | Very low | 36.4 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | | | | 154.2 | 92.3 | 124.2 | -91.4 | -19.6 | 0 | 0 | 0 | 109.1 | | |
| 174 | R | 36.9 | Very low | 36.2 | Very low | 244 Ų | 244 | 141.8 Ų | 141.8 | 92% | 0.921 | 74% | 0.741 | S | S | * | * | | | trans | -13.1 | 149.2 | 134.8 | -106.7 | -176.7 | -179 | -163.3 | -0.6 | 111.9 | | |
| 175 | P | 36.3 | Very low | 36 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 69% | 0.688 | 74% | 0.744 | S | S | * | * | | | | -171.7 | 140.2 | 84 | 34.3 | -5.5 | 0 | 0 | 0 | 112.1 | | |
| 176 | L | 27.2 | Very low | 35.6 | Very low | 156 Ų | 156 | 140 Ų | 140 | 82% | 0.817 | 74% | 0.741 | S | S | * | * | | | | 79.3 | 120.4 | 98.6 | -80.5 | 164.5 | 0 | 0 | 0 | 110.2 | | |
| 177 | T | 26.2 | Very low | 35.3 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 64% | 0.638 | 74% | 0.742 | S | S | * | * | | | | 100.1 | 118.3 | 104.9 | -26 | 0 | 0 | 0 | 0 | 109.6 | | |
| 178 | V | 31.6 | Very low | 34.8 | Very low | 91 Ų | 91 | 139.2 Ų | 139.2 | 55% | 0.552 | 74% | 0.741 | S | S | * | * | | | | 133.8 | 111.8 | 114.4 | 177.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 179 | D | 32.9 | Very low | 34.2 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | | | | 141.4 | 111.7 | 101.5 | -91.9 | -28.9 | 0 | 0 | 0 | 109.4 | | |
| 180 | T | 38.7 | Very low | 33.8 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | | | | 134.9 | 108.5 | 96.4 | 4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 181 | Q | 35.4 | Very low | 33.6 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | | | | 126.6 | 110.2 | 91.3 | -132.5 | 171.4 | -32.9 | 0 | 0 | 109.9 | | |
| 182 | E | 33.3 | Very low | 33.3 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | | 96.7 | 112.8 | 85.3 | -137.1 | -174.5 | 171.5 | 0 | 0 | 110.2 | | |
| 183 | S | 35 | Very low | 33.2 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 55% | 0.552 | 75% | 0.746 | S | S | * | * | | | | 123.7 | 117.2 | 94.4 | -5.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 184 | D | 32.8 | Very low | 33 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | | | | 129 | 113.9 | 94.4 | -85.1 | -19.7 | 0 | 0 | 0 | 109.6 | | |
| 185 | E | 33.9 | Very low | 32.5 | Very low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | | 137.7 | 112.7 | 99.8 | -80.4 | -103.8 | 163.8 | 0 | 0 | 109.5 | | |
| 186 | A | 30.7 | Very low | 32.2 | Very low | 79 Ų | 79 | 137.8 Ų | 137.8 | 65% | 0.653 | 74% | 0.743 | S | S | * | * | | | | 113.9 | 112.9 | 97.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 187 | L | 32.4 | Very low | 32.6 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | | | | 128.9 | 117.5 | 103.2 | -85.5 | 176.9 | 0 | 0 | 0 | 109.3 | | |
| 188 | L | 34.3 | Very low | 32.8 | Very low | 144 Ų | 144 | 135 Ų | 135 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | | | | 106 | 122.6 | 101.9 | -78.7 | 171.7 | 0 | 0 | 0 | 109.5 | | |
| 189 | N | 32.4 | Very low | 32.8 | Very low | 138 Ų | 138 | 136 Ų | 136 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | | | | 106.7 | 125.5 | 93.7 | -125.5 | 17.6 | 0 | 0 | 0 | 110.2 | | |
| 190 | E | 32.9 | Very low | 32.8 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | | | | 132.2 | 125.5 | 103.1 | -108 | -158.5 | 167.1 | 0 | 0 | 109.5 | | |
| 191 | S | 31.8 | Very low | 32.6 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | | 107.9 | 117.7 | 90.9 | -136 | 0 | 0 | 0 | 0 | 109.6 | | |
| 192 | S | 33 | Very low | 32.5 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 92% | 0.923 | 75% | 0.749 | S | S | * | * | | | | -171.5 | 110.4 | 119.4 | -54.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 193 | K | 34.6 | Very low | 32.4 | Very low | 213 Ų | 213 | 134 Ų | 134 | 93% | 0.926 | 75% | 0.752 | S | S | * | * | | | trans | -88.5 | 0 | 174.5 | -124.7 | 175.4 | -177.3 | -178 | 0 | 109.9 | | |
| 194 | K | 30.8 | Very low | 31.9 | Very low | 200 Ų | 200 | 135.5 Ų | 135.5 | 87% | 0.87 | 76% | 0.762 | S | S | * | * | | | | 0 | 115 | 0 | -147.9 | 172.9 | -178.5 | 178.8 | 0 | 109.5 | | |
| 195 | T | 27.5 | Very low | 31.7 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 64% | 0.638 | 76% | 0.76 | S | S | * | * | | | | 123.7 | 117.2 | 93.3 | -46.1 | 0 | 0 | 0 | 0 | 109 | | |
| 196 | I | 28.6 | Very low | 31.4 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | | | | -168.5 | 0 | 120.3 | -58.7 | 176.1 | 0 | 0 | 0 | 108.4 | | |
| 197 | P | 36.3 | Very low | 31.2 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | | | | 0 | 0 | 0 | 34 | -5.3 | 0 | 0 | 0 | 111.9 | | |
| 198 | S | 29.2 | Very low | 31.1 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | | 0 | 0 | 0 | 75.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 199 | T | 31.8 | Very low | 30.8 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 68% | 0.681 | 75% | 0.748 | S | S | * | * | | | | 0 | 128.6 | 0 | 47.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 200 | N | 33.5 | Very low | 30.6 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 69% | 0.69 | 75% | 0.751 | S | S | * | * | | | | 149.6 | 118.4 | 101.8 | -79.8 | -17.7 | 0 | 0 | 0 | 109.8 | | |
| 201 | N | 34.5 | Very low | 30.5 | Very low | 145 Ų | 145 | 125.6 Ų | 125.6 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | | | | 115.1 | 124.6 | 92.3 | -87.2 | -9.3 | 0 | 0 | 0 | 110.3 | | |
| 202 | S | 33.8 | Very low | 30.5 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | | | | 30.7 | 127.2 | 99.4 | 70.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 203 | V | 30.3 | Very low | 30.6 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | | | | 131.6 | 127.7 | 95.9 | 172.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 204 | C | 25.6 | Very low | 30.5 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | | | | 80.5 | 128.4 | 96.8 | -87.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 205 | T | 27.2 | Very low | 30.8 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | | | | 131.1 | 125.1 | 100 | 5.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 206 | I | 28.6 | Very low | 30.7 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 70% | 0.697 | 73% | 0.733 | S | S | * | * | | | | 123.5 | 119.8 | 109 | -61.7 | 179.1 | 0 | 0 | 0 | 108.1 | | |
| 207 | S | 27.3 | Very low | 31.5 | Very low | 90 Ų | 90 | 125.3 Ų | 125.3 | 63% | 0.629 | 73% | 0.725 | S | S | * | * | | | | 96.2 | 120 | 107.2 | -61.4 | 0 | 0 | 0 | 0 | 110 | | |
| 208 | N | 28.9 | Very low | 31.3 | Very low | 149 Ų | 149 | 126.7 Ų | 126.7 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | | | | 89.5 | 116.8 | 109.2 | -88.8 | -6 | 0 | 0 | 0 | 110.5 | | |
| 209 | S | 28.2 | Very low | 31.6 | Very low | 92 Ų | 92 | 127.1 Ų | 127.1 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | | | | 88.3 | 121.8 | 97.5 | 60 | 0 | 0 | 0 | 0 | 110.3 | | |
| 210 | V | 27.3 | Very low | 31.6 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | | | | 113.5 | 120.6 | 102.7 | 174 | 0 | 0 | 0 | 0 | 108.5 | | |
| 211 | A | 31.8 | Very low | 31.5 | Very low | 74 Ų | 74 | 126.7 Ų | 126.7 | 61% | 0.612 | 74% | 0.741 | S | S | * | * | | | | 138.2 | 115.3 | 106.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 212 | E | 32.3 | Very low | 31.2 | Very low | 175 Ų | 175 | 125 Ų | 125 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | | | | 143.2 | 0 | 98.1 | -94.3 | -173.7 | 173.8 | 0 | 0 | 109.6 | | |
| 213 | D | 33.5 | Very low | 31.1 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | | | | 0 | 0 | 0 | -127.9 | -0.9 | 0 | 0 | 0 | 109.5 | | |
| 214 | K | 34.1 | Very low | 31.1 | Very low | 171 Ų | 171 | 124.7 Ų | 124.7 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | | | | 0 | 0 | 0 | -103.4 | -177 | -177.7 | -178.2 | 0 | 109.6 | | |
| 215 | Q | 35.5 | Very low | 31.2 | Very low | 184 Ų | 184 | 124.8 Ų | 124.8 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | | | | 0 | 112.3 | 0 | -116.9 | 165.9 | 9.1 | 0 | 0 | 109.3 | | |
| 216 | D | 27 | Very low | 31.4 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | | | | -9.2 | 0 | 121.3 | -85.7 | -20.4 | 0 | 0 | 0 | 112 | | |
| 217 | P | 44.1 | Very low | 31.4 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | | | | 0 | 0 | 0 | 34.8 | -5.9 | 0 | 0 | 0 | 112.3 | | |
| 218 | T | 33.7 | Very low | 31.4 | Very low | 128 Ų | 128 | 129 Ų | 129 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | | 0 | 0 | 0 | 38.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 219 | S | 33.8 | Very low | 31.2 | Very low | 111 Ų | 111 | 131 Ų | 131 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | | 0 | 113.7 | 0 | 54.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 220 | S | 32.2 | Very low | 31.1 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | | 96.9 | 0 | 83.3 | 61.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 221 | V | 30.8 | Very low | 31.2 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 76% | 0.758 | 76% | 0.761 | S | S | * | * | | | | 0 | 113 | 0 | 175.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 222 | T | 29.6 | Very low | 31 | Very low | 110 Ų | 110 | 134 Ų | 134 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | | 35.6 | 127.7 | 105.7 | 0.4 | 0 | 0 | 0 | 0 | 111 | | |
| 223 | T | 31.6 | Very low | 30.9 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | | | | 112.8 | 130.6 | 82.5 | 34 | 0 | 0 | 0 | 0 | 109.7 | | |
| 224 | A | 30.9 | Very low | 30.6 | Very low | 95 Ų | 95 | 133 Ų | 133 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | | 112.4 | 128.6 | 78.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 225 | S | 27.5 | Very low | 30.4 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | | 21.3 | 0 | 105.2 | -68.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 226 | K | 31.4 | Very low | 30.7 | Very low | 198 Ų | 198 | 127 Ų | 127 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | | | | 0 | 137.1 | 0 | -103.2 | 175.8 | -177.8 | 174.8 | 0 | 109.9 | | |
| 227 | T | 29 | Very low | 30.6 | Very low | 132 Ų | 132 | 125.4 Ų | 125.4 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | | | trans | 28.6 | 126.9 | 136.7 | 47.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 228 | S | 26.4 | Very low | 29.7 | Very low | 104 Ų | 104 | 124.9 Ų | 124.9 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | | 134.5 | 119.7 | 111.7 | -66.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 229 | F | 25.3 | Very low | 29.5 | Very low | 193 Ų | 193 | 125.3 Ų | 125.3 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | | | | 87 | 119.3 | 103.3 | -91.5 | -82.2 | 0 | 0 | 0 | 110.1 | | |
| 230 | V | 25.1 | Very low | 29.3 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | | 136.6 | 114.7 | 98.4 | 174.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 231 | V | 30.1 | Very low | 28.9 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | | | | 62.1 | 123.4 | 89.5 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 232 | I | 27 | Very low | 28.7 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 63% | 0.631 | 76% | 0.758 | S | S | * | * | | | | 175.5 | 121.1 | 122.1 | -59.8 | 178.3 | 0 | 0 | 0 | 108.1 | | |
| 233 | N | 30 | Very low | 28.6 | Very low | 113 Ų | 113 | 125.3 Ų | 125.3 | 60% | 0.604 | 75% | 0.752 | S | S | * | * | | | | 162.3 | 112.6 | 88.1 | -85.3 | -0.1 | 0 | 0 | 0 | 109.8 | | |
| 234 | N | 26.8 | Very low | 28.3 | Very low | 166 Ų | 166 | 123.4 Ų | 123.4 | 89% | 0.888 | 75% | 0.745 | S | S | * | * | | | | -145.6 | 94.3 | 107.2 | -93.7 | -3.4 | 0 | 0 | 0 | 109.7 | | |
| 235 | T | 30.6 | Very low | 28.1 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | | | trans | -13.7 | 0 | 132.7 | 38.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 236 | P | 41.8 | Very low | 28.1 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | | 0 | 0 | 0 | 34.1 | -4.6 | 0 | 0 | 0 | 111.9 | | |
| 237 | S | 25.1 | Very low | 27.8 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | | | | 0 | 127.2 | 0 | -96 | 0 | 0 | 0 | 0 | 109.3 | | |
| 238 | A | 25.7 | Very low | 27.6 | Very low | 92 Ų | 92 | 118.1 Ų | 118.1 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | | | | 108 | 112.9 | 109.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 239 | V | 29 | Very low | 27.6 | Very low | 136 Ų | 136 | 118.8 Ų | 118.8 | 82% | 0.824 | 72% | 0.723 | S | S | * | * | | | | 164 | 103.9 | 124.2 | 176.6 | 0 | 0 | 0 | 0 | 108 | | |
| 240 | V | 29.4 | Very low | 27.5 | Very low | 109 Ų | 109 | 118.5 Ų | 118.5 | 66% | 0.661 | 72% | 0.724 | S | S | * | * | | | | 150.3 | 106.6 | 104.7 | 173.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 241 | C | 23.9 | Very low | 27.6 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 76% | 0.757 | 72% | 0.723 | S | S | * | * | | | | 33.8 | 121.8 | 104 | -72.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 242 | L | 27.4 | Very low | 27.4 | Very low | 153 Ų | 153 | 117.7 Ų | 117.7 | 80% | 0.801 | 72% | 0.724 | S | S | * | * | | | | 170.3 | 105.8 | 92.6 | -77.5 | 160 | 0 | 0 | 0 | 109.2 | | |
| 243 | S | 26.1 | Very low | 27.5 | Very low | 79 Ų | 79 | 119.1 Ų | 119.1 | 55% | 0.552 | 73% | 0.732 | S | S | * | * | | | | -35.6 | 124.4 | 120.3 | 44.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 244 | S | 26.9 | Very low | 27.3 | Very low | 85 Ų | 85 | 118.4 Ų | 118.4 | 59% | 0.594 | 74% | 0.736 | S | S | * | * | | | | 155.7 | 119.3 | 125.5 | 19.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 245 | S | 26.5 | Very low | 27.5 | Very low | 96 Ų | 96 | 118.5 Ų | 118.5 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | | | | 87.5 | 115.5 | 110.8 | -53.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 246 | L | 27.8 | Very low | 27.5 | Very low | 150 Ų | 150 | 121.1 Ų | 121.1 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | | 101.3 | 105.3 | 118.5 | -112.6 | 98.4 | 0 | 0 | 0 | 109.8 | | |
| 247 | S | 24.7 | Very low | 27 | Very low | 87 Ų | 87 | 122.4 Ų | 122.4 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | | | | 70.8 | 109.8 | 104.9 | 74 | 0 | 0 | 0 | 0 | 110.6 | | |
| 248 | S | 23.8 | Very low | 27 | Very low | 95 Ų | 95 | 120.9 Ų | 120.9 | 66% | 0.664 | 73% | 0.729 | S | S | * | * | | | | 119.9 | 112.6 | 115.1 | 71.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 249 | C | 26.8 | Very low | 27.2 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | | | | -179 | 94.5 | 114.8 | -68.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 250 | Q | 23.2 | Very low | 27.3 | Very low | 188 Ų | 188 | 122.7 Ų | 122.7 | 88% | 0.879 | 72% | 0.722 | S | S | * | * | | | | -40.4 | 123.4 | 124.3 | -93.7 | -166.8 | -5.1 | 0 | 0 | 111.5 | | |
| 251 | S | 26.2 | Very low | 27.3 | Very low | 96 Ų | 96 | 123.7 Ų | 123.7 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | | | | 146.9 | 120 | 115.8 | -51.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 252 | T | 26.4 | Very low | 27.7 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 76% | 0.761 | 73% | 0.73 | S | S | * | * | | | | 68.1 | 121.4 | 106.2 | 46.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 253 | L | 29.2 | Very low | 28.6 | Very low | 154 Ų | 154 | 122.8 Ų | 122.8 | 81% | 0.806 | 73% | 0.73 | S | S | * | * | | | | 151.2 | 108.9 | 119.3 | -98.9 | 147.3 | 0 | 0 | 0 | 109.1 | | |
| 254 | S | 25.7 | Very low | 29.3 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | | | | 73.6 | 118.9 | 102.7 | -70.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 255 | L | 31.7 | Very low | 29.5 | Very low | 167 Ų | 167 | 126.5 Ų | 126.5 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | | | | 162.3 | 106.6 | 115.3 | -114 | 114.5 | 0 | 0 | 0 | 109 | | |
| 256 | Q | 29.8 | Very low | 29.8 | Very low | 170 Ų | 170 | 131 Ų | 131 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | | | | 30.9 | 121.9 | 105.5 | -147 | 117.1 | 6.7 | 0 | 0 | 111.4 | | |
| 257 | N | 31.2 | Very low | 30 | Very low | 140 Ų | 140 | 128.8 Ų | 128.8 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | | | | 156.5 | 118 | 114.2 | -124.7 | -3.5 | 0 | 0 | 0 | 109.9 | | |
| 258 | C | 26.6 | Very low | 30.4 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | | | | 91.1 | 124.1 | 82.1 | -71.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 259 | Q | 29.7 | Very low | 30.6 | Very low | 181 Ų | 181 | 129.5 Ų | 129.5 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | | | | 138.4 | 116.3 | 107.6 | -111.3 | 168.4 | 9.3 | 0 | 0 | 109.5 | | |
| 260 | S | 29.4 | Very low | 30.8 | Very low | 84 Ų | 84 | 128.5 Ų | 128.5 | 59% | 0.587 | 74% | 0.738 | S | S | * | * | | | | 125.5 | 119 | 100.8 | -46 | 0 | 0 | 0 | 0 | 109.6 | | |
| 261 | T | 31.1 | Very low | 31.1 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | | | | 121.8 | 114.4 | 93.7 | 41.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 262 | S | 31.8 | Very low | 31.3 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | | 139.5 | 96.5 | 103.3 | 78.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 263 | V | 46.1 | Very low | 31.6 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | | | trans | -91.8 | 150.2 | 145.2 | -171.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 264 | P | 40.6 | Very low | 31.6 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | | | | -166.2 | 140.8 | 118.7 | 33.3 | -5 | 0 | 0 | 0 | 111.8 | | |
| 265 | N | 31.8 | Very low | 32 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 67% | 0.674 | 74% | 0.735 | S | S | * | * | | | | 76.9 | 126.8 | 77.3 | -123.7 | -3.4 | 0 | 0 | 0 | 111 | | |
| 266 | K | 32.1 | Very low | 31.9 | Very low | 192 Ų | 192 | 123.6 Ų | 123.6 | 84% | 0.835 | 72% | 0.717 | S | S | * | * | | | | -161.5 | 116.3 | 108.8 | -89.9 | -177.5 | -175.9 | 176.6 | 0 | 109.5 | | |
| 267 | N | 33.1 | Very low | 31.8 | Very low | 102 Ų | 102 | 119.5 Ų | 119.5 | 55% | 0.545 | 71% | 0.712 | S | S | . | * | | | | 101.9 | 118.7 | 74.5 | -92.1 | -4.9 | 0 | 0 | 0 | 110.5 | | |
| 268 | C | 31 | Very low | 31.7 | Very low | 88 Ų | 88 | 118 Ų | 118 | 60% | 0.595 | 71% | 0.709 | S | S | * | * | | | | 130.8 | 124.6 | 73.3 | -77.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 269 | S | 29.8 | Very low | 31.9 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 76% | 0.762 | 72% | 0.716 | S | S | * | * | | | | 129.4 | 119.1 | 78 | -121 | 0 | 0 | 0 | 0 | 109.7 | | |
| 270 | S | 30.7 | Very low | 31.8 | Very low | 96 Ų | 96 | 114.2 Ų | 114.2 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | | | | -1.4 | 123.3 | 108.7 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 271 | D | 28.1 | Very low | 31.6 | Very low | 154 Ų | 154 | 116.5 Ų | 116.5 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | | | | 85.8 | 107.9 | 101.9 | -84.5 | -25.1 | 0 | 0 | 0 | 110.4 | | |
| 272 | G | 31 | Very low | 31.5 | Very low | 85 Ų | 85 | 112 Ų | 112 | 88% | 0.876 | 68% | 0.684 | S | S | * | * | | | trans | -144.3 | 97.2 | 134.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 273 | H | 32.4 | Very low | 31.4 | Very low | 164 Ų | 164 | 111.8 Ų | 111.8 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | | | trans | -55.7 | 120 | 144.1 | -91.1 | -69.3 | 0 | 0 | 0 | 111.4 | | |
| 274 | H | 30.5 | Very low | 30.9 | Very low | 176 Ų | 176 | 111.4 Ų | 111.4 | 82% | 0.815 | 68% | 0.676 | S | S | * | * | | | | -173.7 | 105.1 | 119.4 | -81.1 | -79.4 | 0 | 0 | 0 | 109 | | |
| 275 | T | 33.1 | Very low | 30.3 | Very low | 75 Ų | 75 | 109.7 Ų | 109.7 | 46% | 0.46 | 67% | 0.672 | S | S | . | * | | | | 165.7 | 90.8 | 114.5 | 50.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 276 | S | 29.2 | Very low | 30.7 | Very low | 71 Ų | 71 | 108.5 Ų | 108.5 | 50% | 0.497 | 67% | 0.671 | S | S | . | * | | | | 43.1 | 105.5 | 109.2 | 56.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 277 | A | 28.6 | Very low | 30.6 | Very low | 83 Ų | 83 | 105.9 Ų | 105.9 | 69% | 0.686 | 66% | 0.664 | S | S | * | * | | | | -162.1 | 117.1 | 97.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 278 | P | 29.3 | Very low | 30.5 | Very low | 108 Ų | 108 | 107.5 Ų | 107.5 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | | | | -69.2 | 119.5 | 120.3 | 33.5 | -5.2 | 0 | 0 | 0 | 111.9 | | |
| 279 | V | 30.6 | Very low | 30.2 | Very low | 123 Ų | 123 | 109.7 Ų | 109.7 | 75% | 0.745 | 67% | 0.666 | S | S | * | * | | | | 107.8 | 110.2 | 123.7 | 177.4 | 0 | 0 | 0 | 0 | 108.4 | L281 | V279-L281 HydrophobicContact CG1-CD1 4.35Š|
| 280 | A | 27 | Very low | 30 | Very low | 70 Ų | 70 | 109.2 Ų | 109.2 | 58% | 0.579 | 66% | 0.663 | S | S | * | * | | | trans | -153.4 | 112.9 | 137.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 281 | L | 26.3 | Very low | 29.8 | Very low | 132 Ų | 132 | 109.2 Ų | 109.2 | 69% | 0.691 | 66% | 0.663 | S | S | * | * | | | | 65.4 | 104.6 | 80.6 | -138 | 75.4 | 0 | 0 | 0 | 110.4 | V279 T849 | V279-L281 HydrophobicContact CG1-CD1 4.35Å; L281-T849 VanDerWaalsContact O-CG2 3.22Å; L281-T849 WeakPolarHBondContact O-CG2 3.45Å |
| 282 | A | 29.2 | Very low | 30 | Very low | 37 Ų | 37 | 108.6 Ų | 108.6 | 31% | 0.306 | 66% | 0.664 | S | S | . | * | | | | 140.6 | 109.5 | 107.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | T849 T850 | A282-T849 HydrophobicContact CB-CG2 3.58Å; A282-T850 VanDerWaalsContact O-CG2 3.23Å; A282-T850 WeakPolarHBondContact O-CG2 3.28Å |
| 283 | T | 29.5 | Very low | 29.9 | Very low | 110 Ų | 110 | 107.6 Ų | 107.6 | 68% | 0.675 | 65% | 0.654 | S | S | * | * | | | | 123.2 | 105.5 | 96.4 | -32.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 284 | V | 34.9 | Very low | 30.1 | Very low | 123 Ų | 123 | 105.1 Ų | 105.1 | 75% | 0.745 | 65% | 0.653 | S | S | * | * | | | | 151.5 | 94.5 | 99.7 | 176 | 0 | 0 | 0 | 0 | 107.9 | | |
| 285 | A | 28.1 | Very low | 30 | Very low | 80 Ų | 80 | 103.8 Ų | 103.8 | 66% | 0.661 | 65% | 0.651 | S | S | * | * | | | | 48.3 | 153.9 | 98.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 286 | P | 39.3 | Very low | 29.7 | Very low | 101 Ų | 101 | 110.8 Ų | 110.8 | 66% | 0.656 | 67% | 0.671 | S | S | * | * | | | cis | -179 | 153.1 | -4.5 | 34.1 | -5.6 | 0 | 0 | 0 | 112 | | |
| 287 | I | 31.5 | Very low | 29.5 | Very low | 137 Ų | 137 | 112.2 Ų | 112.2 | 70% | 0.703 | 68% | 0.681 | S | S | * | * | | | | 144.3 | 121.8 | 111.7 | -60.5 | 178.9 | 0 | 0 | 0 | 108.1 | | |
| 288 | R | 31.2 | Very low | 29.4 | Very low | 135 Ų | 135 | 115.7 Ų | 115.7 | 51% | 0.509 | 69% | 0.687 | S | S | . | * | | | | 108.8 | 123.5 | 86.2 | -104.7 | -158 | -167.9 | -175.3 | -0 | 109.9 | P1078 | R288-P1078 PolarHBondContact NH2-O 2.02Š|
| 289 | M | 24.2 | Very low | 29.3 | Very low | 135 Ų | 135 | 114.5 Ų | 114.5 | 67% | 0.665 | 68% | 0.682 | S | S | * | * | | | | 110.3 | 124.2 | 90.7 | -86.8 | -151.3 | -118.9 | 0 | 0 | 109.5 | | |
| 290 | S | 26 | Very low | 29.4 | Very low | 99 Ų | 99 | 115.8 Ų | 115.8 | 69% | 0.692 | 68% | 0.684 | S | S | * | * | | | | 97.9 | 113.9 | 102.3 | 110.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 291 | S | 26.6 | Very low | 29.5 | Very low | 96 Ų | 96 | 120 Ų | 120 | 67% | 0.671 | 69% | 0.692 | S | S | * | * | | | | 82 | 108.3 | 105.9 | 87.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 292 | V | 31.4 | Very low | 29.8 | Very low | 140 Ų | 140 | 119.7 Ų | 119.7 | 85% | 0.848 | 69% | 0.69 | S | S | * | * | | | | 171.5 | 102.3 | 123.5 | 179.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 293 | G | 29.6 | Very low | 29.9 | Very low | 65 Ų | 65 | 125.2 Ų | 125.2 | 67% | 0.67 | 71% | 0.713 | S | S | * | * | | | | 35.9 | 146.7 | 124.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 294 | P | 36.5 | Very low | 30 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | trans | -102.9 | 135.7 | -130.4 | 33.3 | -4.6 | 0 | 0 | 0 | 111.9 | | |
| 295 | D | 27.7 | Very low | 30 | Very low | 147 Ų | 147 | 128.5 Ų | 128.5 | 79% | 0.786 | 71% | 0.713 | S | S | * | * | | | trans | -161.1 | 119.2 | 143.5 | -72.9 | -25.3 | 0 | 0 | 0 | 109.4 | | |
| 296 | Y | 26.8 | Very low | 30.2 | Very low | 222 Ų | 222 | 131.9 Ų | 131.9 | 87% | 0.871 | 72% | 0.718 | S | S | * | * | | | | 46.2 | 118.2 | 116.3 | -82.9 | -82.7 | 0 | 0 | 0 | 110.8 | | |
| 297 | S | 25.4 | Very low | 29.9 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | | | | 122.6 | 0 | 97.6 | -116.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 298 | L | 26.6 | Very low | 30.2 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | | | | 0 | 121.4 | 0 | -95 | 151.1 | 0 | 0 | 0 | 110.1 | | |
| 299 | S | 27.9 | Very low | 30.2 | Very low | 84 Ų | 84 | 132.7 Ų | 132.7 | 59% | 0.587 | 74% | 0.739 | S | S | * | * | | | | 121 | 0 | 88.8 | -51.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 300 | N | 31.5 | Very low | 30.6 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | | | | 0 | 131.1 | 0 | -93.2 | -6.9 | 0 | 0 | 0 | 110 | | |
| 301 | E | 29.9 | Very low | 30.9 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | | 132.1 | 127.4 | 96.6 | -128.9 | -176.9 | 174.9 | 0 | 0 | 109.6 | | |
| 302 | I | 33.1 | Very low | 31.1 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 64% | 0.641 | 74% | 0.74 | S | S | * | * | | | | 150 | 118.8 | 106.4 | -68 | 173.1 | 0 | 0 | 0 | 108.3 | | |
| 303 | L | 30.9 | Very low | 31.2 | Very low | 153 Ų | 153 | 133 Ų | 133 | 80% | 0.801 | 73% | 0.729 | S | S | * | * | | | | 100.7 | 109.4 | 95.5 | -119.7 | 95.7 | 0 | 0 | 0 | 110.1 | | |
| 304 | R | 30.9 | Very low | 31.4 | Very low | 201 Ų | 201 | 137.8 Ų | 137.8 | 76% | 0.758 | 73% | 0.734 | S | S | * | * | | | | -6.2 | 0 | 128.5 | -79.6 | -168.5 | -158.4 | -143.6 | -0.1 | 111.8 | | |
| 305 | P | 35.9 | Very low | 31 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 66% | 0.656 | 73% | 0.733 | S | S | * | * | | | | 0 | 0 | 0 | 34.4 | -5.5 | 0 | 0 | 0 | 112.3 | | |
| 306 | I | 31.1 | Very low | 30.9 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 77% | 0.774 | 73% | 0.734 | S | S | * | * | | | | 0 | 126.4 | 0 | -61.1 | 176.8 | 0 | 0 | 0 | 108.4 | | |
| 307 | K | 34.3 | Very low | 30.9 | Very low | 182 Ų | 182 | 133.2 Ų | 133.2 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | | | | 61 | 0 | 100.8 | -128.1 | 173.1 | -177.3 | 171 | 0 | 111 | | |
| 308 | P | 37.7 | Very low | 31 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | | | | 0 | 0 | 0 | 30.1 | -2.8 | 0 | 0 | 0 | 111.9 | | |
| 309 | A | 31.2 | Very low | 31.1 | Very low | 85 Ų | 85 | 133.2 Ų | 133.2 | 70% | 0.702 | 72% | 0.72 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 310 | S | 32 | Very low | 31.2 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | | | | 0 | 0 | 0 | 31.3 | 0 | 0 | 0 | 0 | 110 | | |
| 311 | Q | 31.1 | Very low | 31.2 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | | | | 0 | 0 | 0 | -111.4 | 178.3 | -12.4 | 0 | 0 | 109.8 | | |
| 312 | D | 32.6 | Very low | 31.3 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 64% | 0.642 | 73% | 0.731 | S | S | * | * | | | | 0 | 0 | 0 | -90.6 | -19.5 | 0 | 0 | 0 | 109.7 | | |
| 313 | T | 31.6 | Very low | 31.2 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 61% | 0.613 | 73% | 0.733 | S | S | * | * | | | | 0 | 0 | 0 | -32.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 314 | Q | 34.5 | Very low | 31.2 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | | | | 0 | 0 | 0 | -94.9 | -174.5 | 12.6 | 0 | 0 | 109.7 | | |
| 315 | T | 28 | Very low | 31.3 | Very low | 114 Ų | 114 | 128 Ų | 128 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | | | | 0 | 114.8 | 0 | 33.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 316 | N | 25.2 | Very low | 31 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | | | | 92.2 | 118.1 | 119.5 | -86.4 | -16.7 | 0 | 0 | 0 | 110.8 | | |
| 317 | T | 27.2 | Very low | 31 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | | | | 117.4 | 110.4 | 122.6 | -41.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 318 | V | 28.6 | Very low | 30.6 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 59% | 0.594 | 73% | 0.733 | S | S | * | * | | | | 114.6 | 106.4 | 117 | 176.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 319 | M | 27.8 | Very low | 30.1 | Very low | 159 Ų | 159 | 126.4 Ų | 126.4 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | | | | 95.1 | 99.6 | 118.8 | -109.6 | -171.1 | -58.8 | 0 | 0 | 109.9 | | |
| 320 | S | 30.9 | Very low | 29.9 | Very low | 119 Ų | 119 | 127 Ų | 127 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | | | | -153.7 | 91 | 122.2 | -164 | 0 | 0 | 0 | 0 | 109.4 | | |
| 321 | N | 30.9 | Very low | 29.7 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | | | | 58.6 | 90.9 | 122.5 | -76.2 | -18.2 | 0 | 0 | 0 | 111.1 | | |
| 322 | H | 31.7 | Very low | 29.5 | Very low | 183 Ų | 183 | 131 Ų | 131 | 85% | 0.847 | 74% | 0.738 | S | S | * | * | | | | 104 | 99 | 118.6 | -108.9 | -77.1 | 0 | 0 | 0 | 110 | | |
| 323 | A | 30.5 | Very low | 29.6 | Very low | 83 Ų | 83 | 129.9 Ų | 129.9 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | | | | 144.5 | 94.6 | 91.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 324 | T | 31.4 | Very low | 29.4 | Very low | 138 Ų | 138 | 130 Ų | 130 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | | | | 98.7 | 130.2 | 102.9 | 17.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 325 | P | 33.4 | Very low | 29.1 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | | | trans | -108.4 | 0 | 170.5 | 33.7 | -4.6 | 0 | 0 | 0 | 112 | | |
| 326 | Q | 30.3 | Very low | 29.1 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | | | | 0 | 130.4 | 0 | -71.7 | -147 | -0.8 | 0 | 0 | 109.6 | | |
| 327 | T | 29.4 | Very low | 29.2 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | | | | 73.5 | 124.5 | 90.2 | -43.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 328 | V | 26.3 | Very low | 29.4 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | | | | 75.2 | 120.9 | 106.7 | -167.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 329 | T | 27.9 | Very low | 29.4 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | | | | 99.4 | 115.2 | 129.2 | -8.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 330 | S | 27.4 | Very low | 29.6 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | | | | 61.5 | 118.2 | 122.6 | 74.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 331 | I | 26 | Very low | 29.6 | Very low | 145 Ų | 145 | 128.8 Ų | 128.8 | 74% | 0.744 | 73% | 0.732 | S | S | * | * | | | trans | 123.3 | 112.1 | 136.8 | -65 | 177.3 | 0 | 0 | 0 | 108.2 | | |
| 332 | F | 28.6 | Very low | 29.6 | Very low | 196 Ų | 196 | 128.7 Ų | 128.7 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | | | | 77.3 | 142.3 | 128.2 | -101.8 | -85.8 | 0 | 0 | 0 | 110 | | |
| 333 | P | 33.9 | Very low | 29.4 | Very low | 95 Ų | 95 | 125.2 Ų | 125.2 | 62% | 0.617 | 73% | 0.732 | S | S | * | * | | | trans | -74.5 | 125.1 | -171.1 | 33.9 | -5.4 | 0 | 0 | 0 | 111.9 | | |
| 334 | S | 27.3 | Very low | 29.3 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | | | | 115.8 | 119.4 | 126.8 | -88.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 335 | K | 27.7 | Very low | 29.1 | Very low | 180 Ų | 180 | 127.9 Ų | 127.9 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | | | | 115.8 | 0 | 103.3 | -92.1 | -172.4 | -176.1 | 176.8 | 0 | 109.6 | | |
| 336 | H | 29.1 | Very low | 28.8 | Very low | 145 Ų | 145 | 126.5 Ų | 126.5 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | | | | 0 | 116.8 | 0 | -108.5 | -83.9 | 0 | 0 | 0 | 109.4 | | |
| 337 | E | 26.5 | Very low | 28.9 | Very low | 162 Ų | 162 | 128.3 Ų | 128.3 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | | | | 134.5 | 107.1 | 105 | -127.7 | -178.3 | 174.1 | 0 | 0 | 109.6 | | |
| 338 | A | 31.3 | Very low | 28.8 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | | | | 174.8 | 101.1 | 117.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 339 | V | 29.5 | Very low | 29.6 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | | 90.6 | 105.2 | 82 | 176.3 | 0 | 0 | 0 | 0 | 109 | | |
| 340 | S | 31.8 | Very low | 29.6 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | | | | 160.3 | 107.1 | 107.8 | -91.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 341 | T | 30.3 | Very low | 29.8 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 68% | 0.681 | 75% | 0.748 | S | S | * | * | | | | 98.7 | 119.8 | 86.8 | 41.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 342 | T | 31.7 | Very low | 30.1 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | | 117.2 | 115.5 | 92.3 | 41.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 343 | S | 27.3 | Very low | 30.3 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | | 28.7 | 128 | 105.5 | -39.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 344 | T | 28.5 | Very low | 30.1 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | | 40.1 | 0 | 125.7 | 50.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 345 | V | 26.4 | Very low | 30.3 | Very low | 144 Ų | 144 | 133 Ų | 133 | 87% | 0.873 | 76% | 0.759 | S | S | * | * | | | | 0 | 124.5 | 0 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 346 | S | 28 | Very low | 30.4 | Very low | 83 Ų | 83 | 130.6 Ų | 130.6 | 58% | 0.58 | 76% | 0.76 | S | S | * | * | | | trans | 150.2 | 118.1 | 131 | -162.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 347 | Y | 31.3 | Very low | 30.5 | Very low | 220 Ų | 220 | 131.2 Ų | 131.2 | 86% | 0.863 | 77% | 0.768 | S | S | * | * | | | | 107.5 | 101.2 | 110.9 | -94 | -85 | 0 | 0 | 0 | 109.7 | | |
| 348 | N | 27.2 | Very low | 30.6 | Very low | 151 Ų | 151 | 132 Ų | 132 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | | | | 26.9 | 0 | 123.6 | -127.3 | -25.2 | 0 | 0 | 0 | 112 | | |
| 349 | P | 43.8 | Very low | 30.5 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | | | | 0 | 142.2 | 0 | 33.9 | -5 | 0 | 0 | 0 | 111.9 | | |
| 350 | K | 28.1 | Very low | 30.4 | Very low | 202 Ų | 202 | 140.1 Ų | 140.1 | 88% | 0.878 | 78% | 0.775 | S | S | * | * | S | Bend | | 177.3 | 100.1 | 112.2 | -89.8 | -176.2 | -178.4 | 171.1 | 0 | 109.1 | | |
| 351 | S | 30.7 | Very low | 30.3 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | S | Bend | | 137.7 | 95.8 | 94.6 | 66.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 352 | S | 32.2 | Very low | 30.3 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | | 137 | 0 | 107.7 | 35.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 353 | Q | 33.2 | Very low | 30.6 | Very low | 189 Ų | 189 | 143.3 Ų | 143.3 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | | 0 | 0 | 0 | -84.2 | -162.5 | 1.7 | 0 | 0 | 109.8 | | |
| 354 | S | 31 | Very low | 30.6 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | | 0 | 0 | 0 | 108.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 355 | S | 30.3 | Very low | 30.6 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | | 0 | 0 | 0 | 60.4 | 0 | 0 | 0 | 0 | 110 | | |
| 356 | T | 30.3 | Very low | 30.7 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | | 0 | 0 | 0 | 47.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 357 | N | 31.9 | Very low | 30.8 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | | | | 0 | 126.4 | 0 | -92.4 | -21.2 | 0 | 0 | 0 | 109.7 | | |
| 358 | E | 27.9 | Very low | 30.8 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 84% | 0.841 | 74% | 0.736 | S | S | * | * | | | | 18.8 | 0 | 114.5 | -78 | -147.2 | 165.6 | 0 | 0 | 111.5 | | |
| 359 | R | 28.9 | Very low | 31.1 | Very low | 212 Ų | 212 | 128.4 Ų | 128.4 | 80% | 0.8 | 72% | 0.715 | S | S | * | * | | | | 0 | 107.9 | 0 | -160.2 | 171.4 | -161.6 | -156.1 | -2.2 | 110.1 | | |
| 360 | F | 28.5 | Very low | 30.8 | Very low | 169 Ų | 169 | 129.9 Ų | 129.9 | 74% | 0.741 | 73% | 0.725 | S | S | * | * | | | | 119.3 | 99 | 117.9 | -91.7 | -79 | 0 | 0 | 0 | 109.2 | | |
| 361 | G | 29.1 | Very low | 31.1 | Very low | 77 Ų | 77 | 122.9 Ų | 122.9 | 79% | 0.794 | 70% | 0.704 | S | S | * | * | | | | 176.4 | 98.1 | 125 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 362 | F | 30.9 | Very low | 31.3 | Very low | 198 Ų | 198 | 121.5 Ų | 121.5 | 87% | 0.868 | 70% | 0.695 | S | S | * | * | | | trans | -31.7 | 0 | 141.8 | -79.3 | -76.9 | 0 | 0 | 0 | 111.5 | | |
| 363 | P | 36.5 | Very low | 31.6 | Very low | 119 Ų | 119 | 121 Ų | 121 | 77% | 0.773 | 68% | 0.682 | S | S | * | * | | | | 0 | 145.2 | 0 | 34.3 | -5.3 | 0 | 0 | 0 | 112.1 | | |
| 364 | A | 28.8 | Very low | 31.8 | Very low | 86 Ų | 86 | 112.8 Ų | 112.8 | 71% | 0.711 | 65% | 0.648 | S | S | * | * | | | | 128.7 | 119 | 114 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 365 | I | 27.4 | Very low | 32 | Very low | 152 Ų | 152 | 113.7 Ų | 113.7 | 78% | 0.779 | 65% | 0.649 | S | S | * | * | | | | 63.9 | 113.5 | 108.8 | -66.1 | 169 | 0 | 0 | 0 | 109.4 | | |
| 366 | S | 28.6 | Very low | 32.2 | Very low | 55 Ų | 55 | 114.5 Ų | 114.5 | 39% | 0.385 | 65% | 0.649 | S | S | . | * | | | | 112.6 | 128.6 | 107.5 | -100.7 | 0 | 0 | 0 | 0 | 110.1 | C1018 N1019 | S366-C1018 CarbonylContact O-C 1.84Å; S366-C1018 WeakPolarHBondContact O-CA 3.48Å; S366-N1019 CovalentContact C-OD1 0.82Å; S366-N1019 WeakPolarHBondContact CA-ND2 2.99Å; S366-N1019 WeakPolarHBondContact CA-OD1 3.33Å; S366-N1019 WeakPolarHBondContact CB-ND2 1.85Å; S366-N1019 WeakPolarHBondContact CB-OD1 3.35Å; S366-N1019 PolarHBondContact N-OD1 2.94Å; S366-N1019 CarbonylContact O-C 2.82Å; S366-N1019 WeakPolarHBondContact O-CA 3.36Å; S366-N1019 WeakPolarHBondContact O-CB 3.31Å; S366-N1019 CovalentContact O-CG 1.7Å; S366-N1019 PolarHBondContact O-N 3.46Å; S366-N1019 PolarHBondContact O-ND2 3.44Å; S366-N1019 PolarHBondContact O-OD1 3.18Å; S366-N1019 PolarHBondContact OG-OD1 3.5Å |
| 367 | I | 30.1 | Very low | 32.2 | Very low | 59 Ų | 59 | 113.1 Ų | 113.1 | 30% | 0.303 | 65% | 0.646 | S | S | . | * | | | | 82.3 | 126.7 | 98.4 | -57.2 | 175.9 | 0 | 0 | 0 | 109.3 | C1018 N1019 Q1020 | I367-C1018 CarbonylContact O-C 2.19Å; I367-N1019 CovalentContact C-C 1.54Å; I367-N1019 CarbonylContact C-O 3.59Å; I367-N1019 WeakPolarHBondContact CA-OD1 3.39Å; I367-N1019 HydrophobicContact CB-CB 3.02Å; I367-N1019 WeakPolarHBondContact CB-ND2 3.04Å; I367-N1019 WeakPolarHBondContact CB-OD1 3.43Å; I367-N1019 HydrophobicContact CG1-CB 4.13Å; I367-N1019 HydrophobicContact CG2-CB 4.14Å; I367-N1019 PolarHBondContact N-OD1 3.47Å; I367-N1019 CarbonylContact O-C 3.49Å; I367-N1019 WeakPolarHBondContact O-CA 3.43Å; I367-N1019 CovalentContact O-CB 1.39Å; I367-N1019 WeakPolarHBondContact O-CB 1.76Å; I367-N1019 PolarHBondContact O-N 3.37Å; I367-Q1020 VanDerWaalsContact C-C 3.42Å; I367-Q1020 HydrophobicContact CB-CB 2.86Å; I367-Q1020 CovalentContact CB-CD 1.52Å; I367-Q1020 HydrophobicContact CB-CG 2.67Å; I367-Q1020 CovalentContact CB-OE1 1.05Å; I367-Q1020 HydrophobicContact CG1-CB 4.18Å; I367-Q1020 HydrophobicContact CG1-CG 3.77Å; I367-Q1020 VanDerWaalsContact CG2-CA 3.41Å; I367-Q1020 HydrophobicContact CG2-CB 2.53Å; I367-Q1020 HydrophobicContact CG2-CG 1.54Å; I367-Q1020 CovalentContact CG2-OE1 1.22Å; I367-Q1020 VanDerWaalsContact O-CA 3.23Å; I367-Q1020 WeakPolarHBondContact O-CA 2.28Å; I367-Q1020 WeakPolarHBondContact O-CB 3.34Å; I367-Q1020 PolarHBondContact O-N 2.66Å; I367-Q1020 PolarHBondContact O-OE1 3.46Å; I367-Q1020 VanDerWaalsContact O-OE1 3.07Å |
| 368 | T | 31.4 | Very low | 32.1 | Very low | 92 Ų | 92 | 111.5 Ų | 111.5 | 56% | 0.564 | 64% | 0.641 | S | S | * | * | | | | 161.2 | 121.6 | 110.3 | 29.2 | 0 | 0 | 0 | 0 | 108 | N1019 Q1020 I1021 | T368-N1019 CarbonylContact C-O 3.06Å; T368-N1019 WeakPolarHBondContact CA-O 3.18Å; T368-N1019 WeakPolarHBondContact CB-O 3.26Å; T368-N1019 PolarHBondContact N-O 2.79Å; T368-N1019 VanDerWaalsContact OG1-C 3.28Å; T368-N1019 PolarHBondContact OG1-O 3.21Å; T368-Q1020 CarbonylContact C-O 3.5Å; T368-Q1020 CovalentContact CA-CB 1.46Å; T368-Q1020 VanDerWaalsContact CA-N 3.3Å; T368-Q1020 WeakPolarHBondContact CA-O 3Å; T368-Q1020 HydrophobicContact CG2-CB 2.84Å; T368-Q1020 HydrophobicContact CG2-CG 2.72Å; T368-Q1020 VanDerWaalsContact CG2-OE1 3.26Å; T368-Q1020 CovalentContact N-CA 1.5Å; T368-Q1020 CovalentContact N-CB 1Å; T368-Q1020 PolarHBondContact N-O 2.89Å; T368-Q1020 CarbonylContact O-C 3.54Å; T368-Q1020 WeakPolarHBondContact OG1-CB 3.48Å; T368-I1021 WeakPolarHBondContact O-CD1 3.43Å; T368-I1021 WeakPolarHBondContact O-CG1 3.25Å |
| 369 | K | 33.8 | Very low | 32.1 | Very low | 85 Ų | 85 | 109 Ų | 109 | 37% | 0.37 | 64% | 0.638 | S | S | . | * | | | | 15.3 | 170.8 | 119.2 | -110 | 177.5 | -177.9 | 169.1 | 0 | 109.9 | Q1020 I1021 S1022 T1023 | K369-Q1020 PolarHBondContact N-O 3.04Å; K369-I1021 VanDerWaalsContact C-CG1 3.43Å; K369-I1021 CovalentContact CA-CD1 0.48Å; K369-I1021 VanDerWaalsContact CA-CG2 3.48Å; K369-I1021 HydrophobicContact CB-CB 3.05Å; K369-I1021 CovalentContact CB-CD1 1.42Å; K369-I1021 HydrophobicContact CB-CD1 1.42Å; K369-I1021 HydrophobicContact CB-CG1 2.29Å; K369-I1021 HydrophobicContact CB-CG2 2.9Å; K369-I1021 HydrophobicContact CD-CB 3.77Å; K369-I1021 HydrophobicContact CD-CD1 3.71Å; K369-I1021 HydrophobicContact CD-CG1 3.89Å; K369-I1021 HydrophobicContact CD-CG2 2.51Å; K369-I1021 HydrophobicContact CG-CB 2.7Å; K369-I1021 HydrophobicContact CG-CD1 2.39Å; K369-I1021 HydrophobicContact CG-CG1 2.81Å; K369-I1021 CovalentContact CG-CG2 1.88Å; K369-I1021 HydrophobicContact CG-CG2 1.88Å; K369-I1021 CovalentContact N-CD1 1.26Å; K369-I1021 CovalentContact N-CG1 1.41Å; K369-I1021 WeakPolarHBondContact O-CD1 3.45Å; K369-S1022 WeakPolarHBondContact CE-O 3.48Å; K369-S1022 PolarHBondContact NZ-O 2.7Å; K369-T1023 HydrophobicContact CD-CG2 3.71Å; K369-T1023 CovalentContact NZ-CG2 1.48Å; K369-T1023 PolarHBondContact NZ-OG1 2.31Å |
| 370 | P | 36.3 | Very low | 32.1 | Very low | 130 Ų | 130 | 105.9 Ų | 105.9 | 84% | 0.844 | 64% | 0.636 | S | S | * | * | | | | -160.8 | 136.9 | 99.7 | 34 | -5.4 | 0 | 0 | 0 | 111.5 | | |
| 371 | A | 35.2 | Very low | 31.9 | Very low | 54 Ų | 54 | 103 Ų | 103 | 45% | 0.446 | 64% | 0.636 | S | S | . | * | | | trans | -18 | 0 | 130.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T819 T820 | A371-T819 HydrophobicContact CB-CG2 4.18Å; A371-T820 HydrophobicContact CB-CG2 4.27Å |
| 372 | S | 34.9 | Very low | 31.9 | Very low | 81 Ų | 81 | 106.8 Ų | 106.8 | 57% | 0.566 | 64% | 0.637 | S | S | * | * | | | | 0 | 0 | 0 | 154.6 | 0 | 0 | 0 | 0 | 109.2 | T819 | S372-T819 WeakPolarHBondContact CA-OG1 3.49Š|
| 373 | I | 37.6 | Very low | 31.7 | Very low | 103 Ų | 103 | 101.4 Ų | 101.4 | 53% | 0.528 | 63% | 0.629 | S | S | . | * | | | | 0 | 0 | 0 | -67.3 | 168.1 | 0 | 0 | 0 | 107.6 | G817 T818 T819 | I373-G817 CarbonylContact O-C 3.18Å; I373-G817 WeakPolarHBondContact O-CA 3.31Å; I373-G817 PolarHBondContact O-N 3.5Å; I373-T818 CovalentContact C-CA 1.37Å; I373-T818 CovalentContact C-CB 0.88Å; I373-T818 CovalentContact C-CG2 1.21Å; I373-T818 CarbonylContact C-O 3.49Å; I373-T818 VanDerWaalsContact CA-C 3.44Å; I373-T818 CovalentContact CA-CB 1.81Å; I373-T818 CovalentContact CA-CG2 1.49Å; I373-T818 WeakPolarHBondContact CA-OG1 3.41Å; I373-T818 CovalentContact CB-CG2 1.57Å; I373-T818 HydrophobicContact CB-CG2 1.57Å; I373-T818 HydrophobicContact CD1-CG2 4.11Å; I373-T818 HydrophobicContact CG1-CG2 3.1Å; I373-T818 HydrophobicContact CG2-CG2 1.89Å; I373-T818 VanDerWaalsContact CG2-OG1 3.28Å; I373-T818 WeakPolarHBondContact CG2-OG1 3.19Å; I373-T818 CarbonylContact O-C 3.51Å; I373-T818 WeakPolarHBondContact O-CA 3.37Å; I373-T818 WeakPolarHBondContact O-CB 3.37Å; I373-T818 WeakPolarHBondContact O-CG2 3.43Å; I373-T818 CovalentContact O-N 1.69Å; I373-T818 PolarHBondContact O-N 2.85Å; I373-T818 PolarHBondContact O-OG1 3.3Å; I373-T819 WeakPolarHBondContact CA-OG1 3.48Å; I373-T819 PolarHBondContact N-OG1 2.81Å |
| 374 | G | 38 | Very low | 31.6 | Very low | 15 Ų | 15 | 100.7 Ų | 100.7 | 16% | 0.155 | 63% | 0.625 | C | S | . | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.4 | G817 T818 | G374-G817 CarbonylContact O-C 2.34Å; G374-G817 WeakPolarHBondContact O-CA 3.32Å; G374-T818 CarbonylContact C-O 3.35Å; G374-T818 WeakPolarHBondContact CA-O 3.29Å; G374-T818 CovalentContact CA-OG1 1.08Å; G374-T818 WeakPolarHBondContact CA-OG1 3.41Å; G374-T818 CovalentContact N-CA 1.54Å; G374-T818 CovalentContact N-CB 0.82Å; G374-T818 PolarHBondContact N-O 3.46Å; G374-T818 CovalentContact N-OG1 1.09Å; G374-T818 PolarHBondContact N-OG1 3.26Å; G374-T818 WeakPolarHBondContact O-CB 3.22Å; G374-T818 PolarHBondContact O-N 3.17Å; G374-T818 PolarHBondContact O-OG1 2.44Å |
| 375 | T | 35.6 | Very low | 31.5 | Very low | 125 Ų | 125 | 102.1 Ų | 102.1 | 77% | 0.767 | 63% | 0.625 | S | S | * | * | | | | 0 | 128.2 | 0 | 47.5 | 0 | 0 | 0 | 0 | 108.8 | T818 | T375-T818 PolarHBondContact N-OG1 3.33Å; T375-T818 VanDerWaalsContact N-OG1 3.13Å |
| 376 | T | 33.9 | Very low | 31.7 | Very low | 124 Ų | 124 | 101.3 Ų | 101.3 | 76% | 0.761 | 62% | 0.62 | S | S | * | * | | | | 120.7 | 121.2 | 84.6 | 46.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 377 | S | 30.3 | Very low | 31.7 | Very low | 103 Ų | 103 | 102.6 Ų | 102.6 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | | | | 103.6 | 126.9 | 78.7 | 60.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 378 | V | 30.7 | Very low | 31.7 | Very low | 123 Ų | 123 | 104.4 Ų | 104.4 | 75% | 0.745 | 65% | 0.647 | S | S | * | * | | | | 150.4 | 118.4 | 104.6 | 177 | 0 | 0 | 0 | 0 | 108 | | |
| 379 | T | 27.2 | Very low | 31.7 | Very low | 126 Ų | 126 | 104.1 Ų | 104.1 | 77% | 0.773 | 65% | 0.649 | S | S | * | * | | | | 10 | 0 | 121.9 | 21.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 380 | I | 28.9 | Very low | 31.8 | Very low | 148 Ų | 148 | 103.7 Ų | 103.7 | 76% | 0.759 | 65% | 0.653 | S | S | * | * | | | | 0 | 123.3 | 0 | -63.9 | 173 | 0 | 0 | 0 | 107.9 | | |
| 381 | S | 24.2 | Very low | 31.6 | Very low | 107 Ų | 107 | 101.2 Ų | 101.2 | 75% | 0.748 | 63% | 0.632 | S | S | * | * | | | | 37.5 | 120.1 | 110.9 | -103.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 382 | I | 29.4 | Very low | 31.6 | Very low | 157 Ų | 157 | 103.9 Ų | 103.9 | 81% | 0.805 | 64% | 0.643 | S | S | * | * | | | | 156.3 | 114.1 | 116.7 | -53.2 | 175 | 0 | 0 | 0 | 107.9 | | |
| 383 | A | 26.5 | Very low | 31.5 | Very low | 86 Ų | 86 | 104.9 Ų | 104.9 | 71% | 0.711 | 65% | 0.646 | S | S | * | * | | | | 88 | 142 | 112.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 384 | P | 35.1 | Very low | 31.3 | Very low | 104 Ų | 104 | 108.5 Ų | 108.5 | 68% | 0.675 | 66% | 0.66 | S | S | * | * | | | trans | -64.3 | 138 | 168.7 | 33.7 | -4.7 | 0 | 0 | 0 | 112 | | |
| 385 | T | 27.1 | Very low | 31 | Very low | 116 Ų | 116 | 113.6 Ų | 113.6 | 71% | 0.712 | 69% | 0.694 | S | S | * | * | | | | 92.7 | 125.1 | 116.7 | 42 | 0 | 0 | 0 | 0 | 109.8 | | |
| 386 | I | 30.9 | Very low | 30.6 | Very low | 134 Ų | 134 | 115.7 Ų | 115.7 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | | | | 115.6 | 127.3 | 95.1 | -36.6 | 173.7 | 0 | 0 | 0 | 108.8 | | |
| 387 | S | 28 | Very low | 31.1 | Very low | 83 Ų | 83 | 114.9 Ų | 114.9 | 58% | 0.58 | 69% | 0.693 | S | S | * | * | | | | 109.5 | 132.5 | 93.7 | -56 | 0 | 0 | 0 | 0 | 110 | | |
| 388 | S | 31.2 | Very low | 31 | Very low | 96 Ų | 96 | 114.9 Ų | 114.9 | 67% | 0.671 | 69% | 0.694 | S | S | * | * | | | | 103.6 | 0 | 87.6 | -27.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 389 | S | 30.7 | Very low | 30.8 | Very low | 86 Ų | 86 | 115.7 Ų | 115.7 | 60% | 0.601 | 69% | 0.692 | S | S | * | * | | | | 0 | 0 | 0 | -9.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 390 | V | 35.3 | Very low | 30.9 | Very low | 76 Ų | 76 | 118 Ų | 118 | 46% | 0.461 | 69% | 0.692 | S | S | . | * | | | | 0 | 0 | 0 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | N852 I853 | V390-N852 WeakPolarHBondContact CG1-O 3.45Å; V390-N852 WeakPolarHBondContact CG2-O 3.47Å; V390-I853 WeakPolarHBondContact CA-O 3.44Å; V390-I853 VanDerWaalsContact CB-O 3.27Å; V390-I853 WeakPolarHBondContact CB-O 3.26Å; V390-I853 WeakPolarHBondContact CG1-O 3.31Å; V390-I853 VanDerWaalsContact CG2-O 3.25Å; V390-I853 WeakPolarHBondContact CG2-O 3.41Å |
| 391 | I | 33.9 | Very low | 30.8 | Very low | 79 Ų | 79 | 116.9 Ų | 116.9 | 41% | 0.405 | 69% | 0.687 | S | S | . | * | | | | 0 | 0 | 0 | -64.1 | 174.8 | 0 | 0 | 0 | 108.5 | N852 I853 | I391-N852 WeakPolarHBondContact CD1-O 3.24Å; I391-I853 HydrophobicContact CD1-CB 4Å; I391-I853 HydrophobicContact CG1-CB 3.85Å; I391-I853 WeakPolarHBondContact CG1-O 3.21Å |
| 392 | T | 35.1 | Very low | 31 | Very low | 109 Ų | 109 | 117.4 Ų | 117.4 | 67% | 0.669 | 69% | 0.686 | S | S | * | * | | | | 0 | 0 | 0 | -7.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 393 | T | 32.1 | Very low | 31 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 63% | 0.632 | 69% | 0.687 | S | S | * | * | | | | 0 | 134.5 | 0 | 50.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 394 | H | 33 | Very low | 31.5 | Very low | 179 Ų | 179 | 121.3 Ų | 121.3 | 83% | 0.829 | 68% | 0.684 | S | S | * | * | | | | 179.4 | 118.3 | 86 | -76.9 | -76.7 | 0 | 0 | 0 | 109.2 | | |
| 395 | S | 31.3 | Very low | 31.3 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 85% | 0.853 | 69% | 0.689 | S | S | * | * | | | | 137.8 | 103.3 | 104.8 | 153.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 396 | M | 28.6 | Very low | 31.8 | Very low | 168 Ų | 168 | 126 Ų | 126 | 83% | 0.828 | 69% | 0.689 | S | S | * | * | | | trans | -49.3 | 0 | 152.5 | -79.5 | -118.6 | 126.3 | 0 | 0 | 111.1 | | |
| 397 | P | 43.1 | Very low | 31.9 | Very low | 107 Ų | 107 | 124 Ų | 124 | 70% | 0.695 | 68% | 0.683 | S | S | * | * | | | | 0 | 0 | 0 | 33.8 | -5.7 | 0 | 0 | 0 | 112.1 | | |
| 398 | S | 28.3 | Very low | 32.2 | Very low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | | | | 0 | 134.3 | 0 | -161.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 399 | I | 27.9 | Very low | 32.1 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | | | | 63.3 | 131.8 | 106.6 | -64.5 | 172.2 | 0 | 0 | 0 | 109.1 | | |
| 400 | F | 28.5 | Very low | 32.3 | Very low | 176 Ų | 176 | 130.2 Ų | 130.2 | 77% | 0.772 | 71% | 0.705 | S | S | * | * | | | | 74.7 | 119.8 | 127.2 | -104.2 | -84.4 | 0 | 0 | 0 | 109.8 | | |
| 401 | N | 26.3 | Very low | 32.3 | Very low | 124 Ų | 124 | 131 Ų | 131 | 66% | 0.663 | 71% | 0.714 | S | S | * | * | | | | 144.5 | 129.5 | 104.2 | -112.7 | -4.9 | 0 | 0 | 0 | 109.8 | | |
| 402 | V | 27.9 | Very low | 32.1 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 71% | 0.709 | 73% | 0.726 | S | S | * | * | | | | 176.2 | 107.4 | 120.8 | 177 | 0 | 0 | 0 | 0 | 108 | | |
| 403 | R | 31 | Very low | 31.7 | Very low | 221 Ų | 221 | 134.7 Ų | 134.7 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | | | | -34 | 124.6 | 129.3 | -162.3 | 160.5 | -163.6 | 169.7 | 0.3 | 111.4 | | |
| 404 | T | 37.1 | Very low | 32.3 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 64% | 0.638 | 73% | 0.729 | S | S | * | * | | | | 117.4 | 133 | 99.2 | 38.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 405 | R | 29.5 | Very low | 31.9 | Very low | 212 Ų | 212 | 130.9 Ų | 130.9 | 80% | 0.8 | 72% | 0.724 | S | S | * | * | | | trans | -159.6 | 0 | 142.9 | -115.6 | -173.5 | -176.6 | -142.4 | 0.5 | 109.4 | | |
| 406 | P | 38.3 | Very low | 31.7 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | | | | 0 | 0 | 0 | 32.7 | -4 | 0 | 0 | 0 | 112.4 | | |
| 407 | T | 33.3 | Very low | 32.1 | Very low | 93 Ų | 93 | 130.5 Ų | 130.5 | 57% | 0.571 | 73% | 0.725 | S | S | * | * | | | | 0 | 0 | 0 | -38.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 408 | V | 33.9 | Very low | 31.7 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | | | | 0 | 134.3 | 0 | 178 | 0 | 0 | 0 | 0 | 108.4 | | |
| 409 | A | 28.6 | Very low | 31.8 | Very low | 85 Ų | 85 | 130.8 Ų | 130.8 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | | | | 105.8 | 127 | 78.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 410 | Q | 35.7 | Very low | 32.5 | Very low | 186 Ų | 186 | 130 Ų | 130 | 87% | 0.869 | 74% | 0.737 | S | S | * | * | | | | -161.2 | 121 | 117.6 | -83.4 | -167.2 | -20.9 | 0 | 0 | 109.4 | | |
| 411 | S | 33.9 | Very low | 32.6 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | | | | 61.5 | 121.7 | 94 | 67 | 0 | 0 | 0 | 0 | 110.9 | | |
| 412 | V | 30.5 | Very low | 33.1 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 66% | 0.661 | 74% | 0.741 | S | S | * | * | | | | 73.3 | 109.5 | 91.3 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 413 | L | 27.6 | Very low | 33.2 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | | | | 119.8 | 152.6 | 111.9 | -80.2 | 167.6 | 0 | 0 | 0 | 109.7 | | |
| 414 | P | 43.3 | Very low | 33.6 | Very low | 84 Ų | 84 | 123.2 Ų | 123.2 | 55% | 0.545 | 74% | 0.741 | S | S | . | * | | | | -169.2 | 137.6 | -76.1 | 34.6 | -5.1 | 0 | 0 | 0 | 112.1 | | |
| 415 | V | 24.2 | Very low | 33.6 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 72% | 0.715 | 74% | 0.744 | S | S | * | * | | | trans | 104.5 | 114.9 | 136 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 416 | L | 27.9 | Very low | 33.4 | Very low | 156 Ų | 156 | 120.2 Ų | 120.2 | 82% | 0.817 | 74% | 0.742 | S | S | * | * | | | | 175.6 | 89.4 | 113.6 | -79.8 | 168.2 | 0 | 0 | 0 | 109.2 | | |
| 417 | S | 37.3 | Very low | 33.1 | Very low | 126 Ų | 126 | 121 Ų | 121 | 88% | 0.881 | 74% | 0.74 | S | S | * | * | | | trans | -69.8 | 108 | 146.5 | -141.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 418 | V | 33.7 | Very low | 33.1 | Very low | 149 Ų | 149 | 122.1 Ų | 122.1 | 90% | 0.903 | 75% | 0.748 | S | S | * | * | | | trans | -54.2 | 0 | 155.9 | -169.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 419 | G | 31.4 | Very low | 33 | Very low | 68 Ų | 68 | 124.1 Ų | 124.1 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 420 | P | 43.4 | Very low | 33.3 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | | | | 0 | 137.2 | 0 | 33 | -5 | 0 | 0 | 0 | 111.9 | | |
| 421 | Q | 30.4 | Very low | 33.3 | Very low | 185 Ų | 185 | 121.8 Ų | 121.8 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | | | | 117.7 | 0 | 116.8 | -142.8 | -178.8 | -9 | 0 | 0 | 109.8 | | |
| 422 | P | 36.9 | Very low | 33 | Very low | 100 Ų | 100 | 125.3 Ų | 125.3 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | | | | 0 | 0 | 0 | 33.9 | -3.8 | 0 | 0 | 0 | 111.9 | | |
| 423 | A | 29.5 | Very low | 33.1 | Very low | 97 Ų | 97 | 124.8 Ų | 124.8 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | | | | 0 | 144.5 | 0 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 424 | P | 39.8 | Very low | 33.4 | Very low | 113 Ų | 113 | 122 Ų | 122 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | | | | -102.8 | 169.5 | -110.2 | 34 | -4.9 | 0 | 0 | 0 | 111.9 | | |
| 425 | P | 35.9 | Very low | 32.6 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | | | | 168.9 | 142.4 | 59.1 | 34.3 | -5.1 | 0 | 0 | 0 | 112 | | |
| 426 | L | 26.9 | Very low | 33 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | | | trans | 136.7 | 105.8 | 135 | -144.2 | 80.2 | 0 | 0 | 0 | 109.4 | | |
| 427 | N | 30.3 | Very low | 33.1 | Very low | 123 Ų | 123 | 124 Ų | 124 | 66% | 0.658 | 75% | 0.753 | S | S | * | * | | | | 107.9 | 105.5 | 112.4 | -94.7 | 1.2 | 0 | 0 | 0 | 110.3 | | |
| 428 | T | 33.9 | Very low | 32.9 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | | | | 152.3 | 104.9 | 104.5 | 13.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 429 | Q | 32.4 | Very low | 32.7 | Very low | 166 Ų | 166 | 124.3 Ų | 124.3 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | | | | 79.1 | 110.5 | 93.8 | -82.8 | -167.2 | 5.5 | 0 | 0 | 110.5 | | |
| 430 | T | 33.9 | Very low | 32.6 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | | | | 133.1 | 104.9 | 96.7 | 14.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 431 | S | 35.5 | Very low | 31.9 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | | 120.5 | 109.3 | 97.5 | 45.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 432 | L | 27.6 | Very low | 32 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | | | | 55.6 | 110.5 | 83.6 | -81.4 | 166.1 | 0 | 0 | 0 | 110.9 | | |
| 433 | S | 33 | Very low | 31.6 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | | | | 151 | 110.4 | 102.2 | -24.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 434 | S | 33.2 | Very low | 31.8 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | | | | 77.3 | 112.1 | 87.2 | 65 | 0 | 0 | 0 | 0 | 110.8 | | |
| 435 | L | 26.6 | Very low | 31.8 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | | 65.1 | 117.5 | 94 | -102.4 | 125.2 | 0 | 0 | 0 | 110.6 | | |
| 436 | Q | 34.1 | Very low | 31.4 | Very low | 161 Ų | 161 | 136 Ų | 136 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | | 130.2 | 118.9 | 108.5 | -98.8 | 177.7 | -15.7 | 0 | 0 | 109.7 | | |
| 437 | S | 30.4 | Very low | 31.6 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | | | | 60.3 | 128 | 97.9 | 65 | 0 | 0 | 0 | 0 | 110.9 | | |
| 438 | Q | 31.9 | Very low | 31.6 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | | | | 147.8 | 125.9 | 104.3 | -93.9 | -154.4 | 15 | 0 | 0 | 109.4 | | |
| 439 | S | 29.7 | Very low | 31.7 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | | 50.8 | 126.5 | 103.6 | -56.6 | 0 | 0 | 0 | 0 | 111 | | |
| 440 | T | 28.9 | Very low | 31.7 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | | 90 | 119.9 | 95.7 | -58.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 441 | V | 30.1 | Very low | 32.1 | Very low | 125 Ų | 125 | 135 Ų | 135 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | | | trans | 3.8 | 118.9 | 140.4 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 442 | Q | 30.9 | Very low | 32.2 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | | | | 113 | 120.4 | 91.5 | -78.4 | -126.5 | 0.2 | 0 | 0 | 109.7 | | |
| 443 | F | 28.9 | Very low | 32.8 | Very low | 210 Ų | 210 | 134.3 Ų | 134.3 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | | | trans | -166 | 102.1 | 138.3 | -94.5 | -80.6 | 0 | 0 | 0 | 108.7 | | |
| 444 | M | 33.5 | Very low | 32.6 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | trans | -51.8 | 150.1 | 149.6 | -100.9 | 158.9 | 103.2 | 0 | 0 | 111.3 | L446 | M444-L446 HydrophobicContact CE-CD1 3.01Å; M444-L446 HydrophobicContact CE-CG 4.45Å |
| 445 | P | 39.5 | Very low | 33.1 | Very low | 128 Ų | 128 | 138 Ų | 138 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | | | | -141 | 121.4 | 121.2 | 32.9 | -4.8 | 0 | 0 | 0 | 111.7 | | |
| 446 | L | 28.9 | Very low | 33.3 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | | | trans | -20 | 129.1 | 134 | -113 | 97.9 | 0 | 0 | 0 | 111.7 | M444 | M444-L446 HydrophobicContact CE-CD1 3.01Å; M444-L446 HydrophobicContact CE-CG 4.45Å |
| 447 | V | 30.8 | Very low | 33.7 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | | | | 157 | 124 | 106.8 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 448 | G | 29.3 | Very low | 33.8 | Very low | 57 Ų | 57 | 134.8 Ų | 134.8 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | | | | 150.8 | 106.7 | 102.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 449 | N | 35.8 | Very low | 33.7 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | | 146.3 | 101.9 | 105.4 | -90.5 | 18.3 | 0 | 0 | 0 | 109.7 | | |
| 450 | M | 33.3 | Very low | 33.8 | Very low | 185 Ų | 185 | 132.2 Ų | 132.2 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | | | | 27.7 | 158.8 | 119.7 | -72.2 | -140.6 | -169.1 | 0 | 0 | 111.1 | | |
| 451 | P | 42.1 | Very low | 33.7 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | | | cis | -166.4 | 134.5 | 48.6 | 34.2 | -5.5 | 0 | 0 | 0 | 112 | | |
| 452 | V | 38.1 | Very low | 33.8 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | | | | 149.8 | 100.3 | 123.8 | 177.2 | 0 | 0 | 0 | 0 | 108 | | |
| 453 | T | 39.4 | Very low | 33.7 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | | 130.4 | 88.1 | 110.4 | 10.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 454 | M | 30.2 | Very low | 33.7 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | | | | 6.1 | 0 | 127.6 | -83.7 | -100 | -87.5 | 0 | 0 | 111.6 | | |
| 455 | P | 42.7 | Very low | 33.6 | Very low | 91 Ų | 91 | 129.4 Ų | 129.4 | 59% | 0.591 | 77% | 0.768 | S | S | * | * | | | | 0 | 152.9 | 0 | 33.5 | -4.4 | 0 | 0 | 0 | 111.8 | | |
| 456 | V | 31.7 | Very low | 33.2 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | | | trans | 179.7 | 149.5 | 149.4 | 179.5 | 0 | 0 | 0 | 0 | 108 | | |
| 457 | P | 42.6 | Very low | 33.3 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | | | | -127.7 | 0 | -110.9 | 33.6 | -3.9 | 0 | 0 | 0 | 111.9 | | |
| 458 | A | 31.1 | Very low | 33.3 | Very low | 88 Ų | 88 | 128.3 Ų | 128.3 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | | 0 | 114.7 | 0 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 459 | T | 31.2 | Very low | 33.5 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | | | | 74.8 | 125 | 91.2 | 28.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 460 | S | 29.9 | Very low | 33.3 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | | | | 103.3 | 126.6 | 99.2 | 91.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 461 | T | 28.5 | Very low | 33.4 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | | | | 65.6 | 127.7 | 108.8 | 45.7 | 0 | 0 | 0 | 0 | 110 | | |
| 462 | G | 31.4 | Very low | 32.8 | Very low | 67 Ų | 67 | 129.3 Ų | 129.3 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | | | | 147.9 | 115 | 122.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 463 | L | 28.6 | Very low | 32.6 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | | | | 75.8 | 126.9 | 105.2 | -78.6 | 169.6 | 0 | 0 | 0 | 110.3 | | |
| 464 | R | 29.4 | Very low | 32.7 | Very low | 216 Ų | 216 | 128.6 Ų | 128.6 | 82% | 0.815 | 73% | 0.732 | S | S | * | * | | | | 110.3 | 124.7 | 103.6 | -105.2 | -168.8 | -150.5 | -121 | -0.3 | 109.7 | | |
| 465 | N | 30.7 | Very low | 32.8 | Very low | 142 Ų | 142 | 127 Ų | 127 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | | | | 57.4 | 120.7 | 105 | -104.6 | 0.2 | 0 | 0 | 0 | 111.2 | | |
| 466 | V | 30.7 | Very low | 32.3 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 67% | 0.667 | 74% | 0.736 | S | S | * | * | | | | 66.5 | 119.6 | 105.4 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 467 | I | 32.3 | Very low | 32.3 | Very low | 141 Ų | 141 | 124.7 Ų | 124.7 | 72% | 0.723 | 74% | 0.737 | S | S | * | * | | | | 129.6 | 123 | 111.9 | -63.9 | 175.9 | 0 | 0 | 0 | 108.2 | | |
| 468 | N | 30.5 | Very low | 32 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 67% | 0.674 | 74% | 0.743 | S | S | * | * | | | | 79.2 | 124.9 | 96.9 | -126.5 | -15.8 | 0 | 0 | 0 | 110.8 | | |
| 469 | H | 33.8 | Very low | 32.6 | Very low | 172 Ų | 172 | 125.3 Ų | 125.3 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | | | | -178.2 | 111.4 | 120.7 | -95 | 26 | 0 | 0 | 0 | 109.4 | | |
| 470 | N | 30.8 | Very low | 32.9 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 66% | 0.658 | 74% | 0.744 | S | S | * | * | | | | 41.1 | 129.9 | 97.6 | -93.2 | -7.6 | 0 | 0 | 0 | 111.8 | | |
| 471 | Q | 35.6 | Very low | 32.9 | Very low | 170 Ų | 170 | 125.6 Ų | 125.6 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | | | | 123.6 | 124.9 | 98.9 | -94.8 | -172.5 | -4.4 | 0 | 0 | 109.8 | | |
| 472 | A | 30.5 | Very low | 33.7 | Very low | 70 Ų | 70 | 124.5 Ų | 124.5 | 58% | 0.579 | 74% | 0.744 | S | S | * | * | | | | 111.1 | 123.1 | 88.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 473 | I | 33 | Very low | 33.7 | Very low | 146 Ų | 146 | 127.1 Ų | 127.1 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | | | | 98.8 | 0 | 91.9 | -61.5 | 175.6 | 0 | 0 | 0 | 108.9 | I475 | I473-I475 HydrophobicContact CG2-CG1 4.48Š|
| 474 | P | 42 | Very low | 34.6 | Very low | 89 Ų | 89 | 125.2 Ų | 125.2 | 58% | 0.578 | 75% | 0.748 | S | S | * | * | | | | 0 | 151.5 | 0 | 34.1 | -4.8 | 0 | 0 | 0 | 112.7 | | |
| 475 | I | 32.5 | Very low | 35.6 | Very low | 151 Ų | 151 | 120.1 Ų | 120.1 | 77% | 0.774 | 74% | 0.743 | S | S | * | * | | | | 129.8 | 0 | 98.6 | -68.6 | 175.8 | 0 | 0 | 0 | 108.5 | I473 | I473-I475 HydrophobicContact CG2-CG1 4.48Š|
| 476 | A | 31.6 | Very low | 35.7 | Very low | 98 Ų | 98 | 120.1 Ų | 120.1 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 477 | G | 32.1 | Very low | 36 | Very low | 84 Ų | 84 | 122.6 Ų | 122.6 | 87% | 0.866 | 75% | 0.746 | S | S | * | * | | | | 0 | 118.3 | 0 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 478 | A | 35.5 | Very low | 36.2 | Very low | 97 Ų | 97 | 122.1 Ų | 122.1 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | | | trans | -55.6 | 0 | 152.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 479 | P | 44.8 | Very low | 36.4 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | | | | 0 | 0 | 0 | 34.1 | -5.4 | 0 | 0 | 0 | 112.1 | | |
| 480 | T | 36 | Very low | 36.6 | Very low | 137 Ų | 137 | 122 Ų | 122 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | | | | 0 | 114.3 | 0 | 38.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 481 | A | 30.6 | Very low | 36.7 | Very low | 96 Ų | 96 | 123.4 Ų | 123.4 | 79% | 0.793 | 75% | 0.745 | S | S | * | * | | | | 25.5 | 0 | 115.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 482 | P | 45 | Very low | 36.9 | Very low | 115 Ų | 115 | 120.1 Ų | 120.1 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | | | | 0 | 0 | 0 | 32.9 | -4.9 | 0 | 0 | 0 | 112.1 | | |
| 483 | C | 32.2 | Very low | 37.7 | Very low | 123 Ų | 123 | 121.1 Ų | 121.1 | 83% | 0.831 | 74% | 0.737 | S | S | * | * | | | | 0 | 0 | 0 | -75.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 484 | P | 47 | Very low | 37.9 | Very low | 114 Ų | 114 | 121 Ų | 121 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | | | | 0 | 0 | 0 | 34.1 | -5.5 | 0 | 0 | 0 | 111.8 | | |
| 485 | P | 49.8 | Very low | 37.8 | Very low | 110 Ų | 110 | 121 Ų | 121 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | | | | 0 | 0 | 0 | 34.3 | -5.3 | 0 | 0 | 0 | 112 | | |
| 486 | L | 33.5 | Very low | 37.8 | Very low | 141 Ų | 141 | 120.7 Ų | 120.7 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | | | | 0 | 119.8 | 0 | -78.8 | 175.7 | 0 | 0 | 0 | 109.3 | | |
| 487 | Q | 37.3 | Very low | 37.9 | Very low | 162 Ų | 162 | 122.9 Ų | 122.9 | 76% | 0.757 | 72% | 0.722 | S | S | * | * | | | | 93.6 | 0 | 71.9 | -83.7 | -169 | -41.7 | 0 | 0 | 110.5 | | |
| 488 | I | 36.4 | Very low | 38 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 67% | 0.672 | 71% | 0.71 | S | S | * | * | | | | 0 | 114.2 | 0 | -69.1 | 172 | 0 | 0 | 0 | 108.2 | | |
| 489 | F | 35.2 | Very low | 38 | Very low | 182 Ų | 182 | 122.9 Ų | 122.9 | 80% | 0.798 | 70% | 0.7 | S | S | * | * | | | | 136.1 | 97.9 | 84.3 | -96.7 | -81.8 | 0 | 0 | 0 | 109.2 | | |
| 490 | N | 36.3 | Very low | 37.5 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 60% | 0.604 | 71% | 0.71 | S | S | * | * | | | | 34.6 | 123 | 90.9 | -137.1 | 12.4 | 0 | 0 | 0 | 112.1 | T492 | N490-T492 PolarHBondContact OD1-OG1 3.02Š|
| 491 | M | 34.2 | Very low | 38.1 | Very low | 154 Ų | 154 | 124 Ų | 124 | 76% | 0.759 | 71% | 0.707 | S | S | * | * | | | | 151.7 | 0 | 82.6 | -67.3 | -115.6 | -142.3 | 0 | 0 | 109.6 | | |
| 492 | T | 39.8 | Very low | 38.2 | Very low | 100 Ų | 100 | 124 Ų | 124 | 61% | 0.613 | 70% | 0.701 | S | S | * | * | | | | 0 | 151.6 | 0 | -21.3 | 0 | 0 | 0 | 0 | 110.2 | N490 | N490-T492 PolarHBondContact OD1-OG1 3.02Š|
| 493 | P | 48 | Very low | 37.6 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 59% | 0.591 | 71% | 0.706 | S | S | * | * | | | cis | 171.7 | 0 | -36.2 | 35.3 | -6.6 | 0 | 0 | 0 | 112 | | |
| 494 | M | 35.3 | Very low | 37.6 | Very low | 145 Ų | 145 | 125.5 Ų | 125.5 | 71% | 0.714 | 68% | 0.682 | S | S | * | * | | | | 0 | 0 | 0 | -114.2 | -143.2 | 108.9 | 0 | 0 | 109.6 | Q496 | M494-Q496 HydrophobicContact CE-CG 3.68Š|
| 495 | P | 41.1 | Very low | 37 | Very low | 87 Ų | 87 | 126.4 Ų | 126.4 | 57% | 0.565 | 68% | 0.68 | S | S | * | * | | | | 0 | 0 | 0 | 35.1 | -6.4 | 0 | 0 | 0 | 112.3 | | |
| 496 | Q | 32.4 | Very low | 36 | Very low | 146 Ų | 146 | 128 Ų | 128 | 68% | 0.682 | 68% | 0.677 | S | S | * | * | | | | 0 | 0 | 0 | -65.8 | -139.8 | -37.6 | 0 | 0 | 109.8 | M494 | M494-Q496 HydrophobicContact CE-CG 3.68Š|
| 497 | F | 33.8 | Very low | 36.2 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 63% | 0.632 | 68% | 0.677 | S | S | * | * | | | | 0 | 134.4 | 0 | -104.6 | -85.8 | 0 | 0 | 0 | 109.1 | | |
| 498 | M | 33.7 | Very low | 36.1 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 61% | 0.606 | 68% | 0.676 | S | S | * | * | | | | 44.3 | 0 | 82.1 | -77.4 | -102.6 | 139.3 | 0 | 0 | 111.1 | S1215 N1216 | M498-S1215 WeakPolarHBondContact CB-OG 3.49Å; M498-N1216 WeakPolarHBondContact CG-ND2 3.37Å |
| 499 | G | 36.7 | Very low | 35.7 | Very low | 58 Ų | 58 | 122 Ų | 122 | 60% | 0.598 | 68% | 0.682 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 500 | T | 33.9 | Very low | 36.1 | Very low | 150 Ų | 150 | 119.3 Ų | 119.3 | 92% | 0.92 | 68% | 0.682 | S | S | * | * | | | | 0 | 0 | 0 | 46.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 501 | P | 47.5 | Very low | 35.9 | Very low | 118 Ų | 118 | 119.7 Ų | 119.7 | 77% | 0.766 | 69% | 0.688 | S | S | * | * | | | | 0 | 0 | 0 | 34.3 | -5.3 | 0 | 0 | 0 | 112.1 | | |
| 502 | S | 33.2 | Very low | 35.8 | Very low | 96 Ų | 96 | 114.3 Ų | 114.3 | 67% | 0.671 | 67% | 0.668 | S | S | * | * | | | | 0 | 0 | 0 | -69.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 503 | Y | 32.3 | Very low | 35.6 | Very low | 216 Ų | 216 | 112.5 Ų | 112.5 | 85% | 0.847 | 67% | 0.67 | S | S | * | * | | | | 0 | 0 | 0 | -94.9 | -88 | 0 | 0 | 0 | 109.4 | | |
| 504 | V | 33 | Very low | 35.2 | Very low | 55 Ų | 55 | 112.4 Ų | 112.4 | 33% | 0.333 | 68% | 0.677 | S | S | . | * | | | | 0 | 0 | 0 | 175.2 | 0 | 0 | 0 | 0 | 109.1 | Y1201 | V504-Y1201 HydrophobicContact CB-CD2 4.36Å; V504-Y1201 HydrophobicContact CB-CE2 3.93Å; V504-Y1201 HydrophobicContact CG1-CE1 4.38Å; V504-Y1201 HydrophobicContact CG1-CE2 3.89Å; V504-Y1201 WeakPolarHBondContact CG1-OH 3.21Å; V504-Y1201 HydrophobicContact CG2-CD1 3.9Å; V504-Y1201 HydrophobicContact CG2-CD2 2.89Å; V504-Y1201 HydrophobicContact CG2-CE1 3.81Å; V504-Y1201 HydrophobicContact CG2-CE2 2.75Å; V504-Y1201 HydrophobicContact CG2-CG 3.47Å; V504-Y1201 VanDerWaalsContact CG2-CG 3.47Å |
| 505 | L | 33.2 | Very low | 35.3 | Very low | 133 Ų | 133 | 113 Ų | 113 | 70% | 0.696 | 68% | 0.683 | S | S | * | * | | | | 0 | 134.2 | 0 | -78.2 | 170.8 | 0 | 0 | 0 | 109.4 | | |
| 506 | H | 29.1 | Very low | 35.2 | Very low | 143 Ų | 143 | 113.7 Ų | 113.7 | 66% | 0.662 | 69% | 0.69 | S | S | * | * | | | | 104.4 | 0 | 90.4 | -128.8 | -104.1 | 0 | 0 | 0 | 110 | T508 | H506-T508 WeakPolarHBondContact CE1-CG2 3.34Å; H506-T508 WeakPolarHBondContact ND1-CG2 3.5Å |
| 507 | P | 38.9 | Very low | 35.6 | Very low | 112 Ų | 112 | 116.1 Ų | 116.1 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | | | | 0 | 0 | 0 | 34.1 | -5.6 | 0 | 0 | 0 | 112.7 | | |
| 508 | T | 34.2 | Very low | 35.8 | Very low | 119 Ų | 119 | 117.6 Ų | 117.6 | 73% | 0.73 | 71% | 0.707 | S | S | * | * | | | | 0 | 110.6 | 0 | 49.1 | 0 | 0 | 0 | 0 | 110.3 | H506 | H506-T508 WeakPolarHBondContact CE1-CG2 3.34Å; H506-T508 WeakPolarHBondContact ND1-CG2 3.5Å |
| 509 | G | 29 | Very low | 36.1 | Very low | 78 Ų | 78 | 120.8 Ų | 120.8 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | | | | 73 | 0 | 97.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 510 | P | 41.6 | Very low | 36.4 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 81% | 0.805 | 73% | 0.726 | S | S | * | * | | | | 0 | 0 | 0 | 34.5 | -5.8 | 0 | 0 | 0 | 112.1 | | |
| 511 | V | 32.4 | Very low | 36.6 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | | | | 0 | 0 | 0 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | V1177 | V511-V1177 CarbonylContact C-O 3.32Š|
| 512 | A | 33.6 | Very low | 35.8 | Very low | 41 Ų | 41 | 124.1 Ų | 124.1 | 34% | 0.339 | 73% | 0.728 | S | S | . | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.9 | V1177 S1178 | A512-V1177 CovalentContact C-CG1 1.28Å; A512-V1177 CarbonylContact C-O 3.54Å; A512-V1177 HydrophobicContact CB-CG1 3.77Å; A512-V1177 PolarHBondContact N-O 3.29Å; A512-V1177 VanDerWaalsContact N-O 3.16Å; A512-V1177 CarbonylContact O-C 3.36Å; A512-V1177 WeakPolarHBondContact O-CA 3.46Å; A512-V1177 WeakPolarHBondContact O-CB 3.3Å; A512-V1177 CovalentContact O-CG1 1.48Å; A512-V1177 WeakPolarHBondContact O-CG1 3.41Å; A512-V1177 WeakPolarHBondContact O-CG2 3.48Å; A512-S1178 CarbonylContact C-O 3.53Å; A512-S1178 WeakPolarHBondContact CB-O 3.47Å; A512-S1178 CarbonylContact O-C 2.16Å; A512-S1178 PolarHBondContact O-N 3.34Å |
| 513 | G | 35.5 | Very low | 36.1 | Very low | 62 Ų | 62 | 124.9 Ų | 124.9 | 64% | 0.639 | 73% | 0.733 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1177 | G513-V1177 VanDerWaalsContact C-CG1 3.42Å; G513-V1177 CovalentContact N-CG1 1.47Å; G513-V1177 VanDerWaalsContact O-CG1 3.29Å; G513-V1177 WeakPolarHBondContact O-CG1 3.15Å |
| 514 | A | 37.9 | Very low | 36.1 | Very low | 90 Ų | 90 | 120.5 Ų | 120.5 | 74% | 0.744 | 73% | 0.729 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 515 | N | 38.1 | Very low | 36.1 | Very low | 156 Ų | 156 | 124.9 Ų | 124.9 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | | | | 0 | 0 | 0 | -73.3 | -21.4 | 0 | 0 | 0 | 109.7 | | |
| 516 | S | 39.6 | Very low | 36.1 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | | | | 0 | 0 | 0 | 27.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 517 | F | 40.3 | Very low | 36.2 | Very low | 198 Ų | 198 | 126 Ų | 126 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | | | | 0 | 0 | 0 | -98.6 | -83 | 0 | 0 | 0 | 109.1 | | |
| 518 | Q | 38.3 | Very low | 36.2 | Very low | 174 Ų | 174 | 126.2 Ų | 126.2 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | | | | 0 | 0 | 0 | -163.7 | 91.7 | 19.5 | 0 | 0 | 109.9 | | |
| 519 | F | 39.8 | Very low | 36 | Very low | 190 Ų | 190 | 123.5 Ų | 123.5 | 83% | 0.833 | 75% | 0.753 | S | S | * | * | | | | 0 | 0 | 0 | -92.2 | -83.2 | 0 | 0 | 0 | 109 | | |
| 520 | P | 43.5 | Very low | 36 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | | 0 | 0 | 0 | 33.8 | -5.5 | 0 | 0 | 0 | 112 | | |
| 521 | Q | 37.8 | Very low | 35.5 | Very low | 202 Ų | 202 | 127.3 Ų | 127.3 | 94% | 0.944 | 76% | 0.757 | S | S | * | * | | | | 0 | 0 | 0 | -87.8 | -170.8 | -3.8 | 0 | 0 | 110 | | |
| 522 | G | 31.5 | Very low | 35.6 | Very low | 77 Ų | 77 | 124.9 Ų | 124.9 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | | | | 0 | 113.4 | 0 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 523 | S | 38.1 | Very low | 36 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | | 177.1 | 109.6 | 109.5 | 5.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 524 | T | 33.6 | Very low | 36 | Very low | 124 Ų | 124 | 130 Ų | 130 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | | | | 96.9 | 113.1 | 86.2 | 29.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 525 | H | 32.8 | Very low | 36 | Very low | 147 Ų | 147 | 128.8 Ų | 128.8 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | | | | 125.5 | 0 | 93.5 | -119.7 | -93.8 | 0 | 0 | 0 | 109.8 | | |
| 526 | L | 31.6 | Very low | 36 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | | | | 0 | 96.3 | 0 | -72.8 | 179 | 0 | 0 | 0 | 109.7 | | |
| 527 | L | 32.7 | Very low | 35.6 | Very low | 159 Ų | 159 | 127 Ų | 127 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | | -18.4 | 0 | 119.3 | -85.3 | 147.9 | 0 | 0 | 0 | 111.5 | | |
| 528 | P | 38.5 | Very low | 35.3 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | | 0 | 137.1 | 0 | 33.7 | -4.9 | 0 | 0 | 0 | 111.9 | | |
| 529 | G | 30.6 | Very low | 35.2 | Very low | 62 Ų | 62 | 119.4 Ų | 119.4 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | | | trans | 174.1 | 103.5 | 139 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 530 | L | 28.6 | Very low | 34.6 | Very low | 164 Ų | 164 | 115.3 Ų | 115.3 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | | | | 69.6 | 106.2 | 95.6 | -71.6 | 171.6 | 0 | 0 | 0 | 110.6 | | |
| 531 | S | 30.2 | Very low | 34.1 | Very low | 118 Ų | 118 | 117.5 Ų | 117.5 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | | 113.7 | 107.4 | 105.7 | 85.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 532 | G | 35.6 | Very low | 33.6 | Very low | 70 Ų | 70 | 114 Ų | 114 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | | | | 133 | 99.3 | 109.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 533 | S | 40.8 | Very low | 33.7 | Very low | 117 Ų | 117 | 119.4 Ų | 119.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | | 125.8 | 103.5 | 106.4 | 175.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 534 | A | 35.3 | Very low | 33.6 | Very low | 93 Ų | 93 | 121.3 Ų | 121.3 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | | 95.8 | 104.3 | 96.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 535 | G | 38 | Very low | 33.5 | Very low | 64 Ų | 64 | 123.7 Ų | 123.7 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | | | | 150.1 | 97 | 105.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 536 | V | 38.7 | Very low | 33.7 | Very low | 150 Ų | 150 | 120.8 Ų | 120.8 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | | | | 111.2 | 0 | 98.8 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 537 | G | 31.8 | Very low | 33.7 | Very low | 72 Ų | 72 | 121.3 Ų | 121.3 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | | | | 0 | 108.9 | 0 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 538 | G | 32.8 | Very low | 33.5 | Very low | 66 Ų | 66 | 119.6 Ų | 119.6 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | | | | 95.4 | 104.9 | 92.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 539 | T | 36.6 | Very low | 33 | Very low | 145 Ų | 145 | 123.3 Ų | 123.3 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | | | | -178.4 | 93 | 101.3 | 53.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 540 | T | 27.7 | Very low | 33.4 | Very low | 104 Ų | 104 | 125 Ų | 125 | 64% | 0.638 | 75% | 0.747 | S | S | * | * | | | | -18.1 | 124.3 | 109.6 | 32.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 541 | F | 33.4 | Very low | 33.3 | Very low | 165 Ų | 165 | 122.2 Ų | 122.2 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | | | | 141.7 | 112.5 | 113.5 | -92.5 | -81.5 | 0 | 0 | 0 | 109.3 | | |
| 542 | N | 26.3 | Very low | 33.3 | Very low | 127 Ų | 127 | 122.7 Ų | 122.7 | 68% | 0.679 | 74% | 0.739 | S | S | * | * | | | | 70 | 112.1 | 91.3 | -98.6 | -28.4 | 0 | 0 | 0 | 111.2 | | |
| 543 | F | 34 | Very low | 33 | Very low | 192 Ų | 192 | 126.2 Ų | 126.2 | 84% | 0.842 | 74% | 0.74 | S | S | * | * | | | trans | -161.9 | 95.9 | 140.9 | -105.7 | -85.2 | 0 | 0 | 0 | 109.1 | | |
| 544 | L | 36.5 | Very low | 32.3 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | | | | 145.1 | 91.4 | 108.9 | -79.7 | 165.2 | 0 | 0 | 0 | 109.3 | | |
| 545 | Q | 32 | Very low | 32.2 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | | | | 12.3 | 153.3 | 120.5 | -130.8 | 171.3 | 8.5 | 0 | 0 | 112 | | |
| 546 | P | 35.6 | Very low | 31.7 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 56% | 0.558 | 75% | 0.748 | S | S | * | * | | | cis | 173.3 | 142.7 | 34.4 | 34.1 | -5.3 | 0 | 0 | 0 | 112.1 | | |
| 547 | Q | 32.7 | Very low | 32.1 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | | | | 129.5 | 105.7 | 116.8 | -74.2 | -76.3 | -16 | 0 | 0 | 109.7 | | |
| 548 | N | 28.1 | Very low | 32.4 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 65% | 0.652 | 73% | 0.727 | S | S | * | * | | | | 48.3 | 120 | 100.9 | -106.3 | -26 | 0 | 0 | 0 | 111.9 | | |
| 549 | Y | 28.2 | Very low | 32.6 | Very low | 196 Ų | 196 | 138.3 Ų | 138.3 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | | | | 137.6 | 154.4 | 110.9 | -92.8 | -83.3 | 0 | 0 | 0 | 109.4 | | |
| 550 | P | 38.2 | Very low | 32.3 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 63% | 0.63 | 72% | 0.722 | S | S | * | * | | | | -139.1 | 0 | -76.4 | 34.4 | -5.2 | 0 | 0 | 0 | 112 | | |
| 551 | S | 28.2 | Very low | 33.2 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 73% | 0.725 | S | S | * | * | | | | 0 | 127.8 | 0 | -32 | 0 | 0 | 0 | 0 | 110 | | |
| 552 | T | 28.6 | Very low | 33 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | | | | 32.8 | 129.2 | 122.6 | 49.1 | 0 | 0 | 0 | 0 | 111 | | |
| 553 | I | 29.5 | Very low | 33.3 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | | | | 123.8 | 113.6 | 120.3 | -71.9 | 173.6 | 0 | 0 | 0 | 108.1 | | |
| 554 | F | 26.2 | Very low | 33.3 | Very low | 189 Ų | 189 | 132.1 Ų | 132.1 | 83% | 0.829 | 71% | 0.714 | S | S | * | * | | | | 88.4 | 148.4 | 123.8 | -109 | -88.8 | 0 | 0 | 0 | 109.7 | | |
| 555 | P | 33.5 | Very low | 33.3 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | | | cis | -159.4 | 125.1 | 35.8 | 33.5 | -4.8 | 0 | 0 | 0 | 111.9 | | |
| 556 | Q | 27.6 | Very low | 33.1 | Very low | 186 Ų | 186 | 130 Ų | 130 | 87% | 0.869 | 71% | 0.707 | S | S | * | * | | | trans | 8.4 | 153.3 | 134.5 | -100.1 | -172.2 | -13.3 | 0 | 0 | 111.8 | | |
| 557 | P | 47 | Very low | 33.4 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 60% | 0.597 | 71% | 0.712 | S | S | * | * | | | | -87.2 | 175.9 | -128.4 | 34.5 | -5.1 | 0 | 0 | 0 | 112 | | |
| 558 | P | 38.2 | Very low | 33.6 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 62% | 0.617 | 72% | 0.722 | S | S | * | * | | | | 166 | 136.3 | 74.3 | 33.7 | -4.6 | 0 | 0 | 0 | 111.9 | | |
| 559 | T | 35.8 | Very low | 33.8 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | | | trans | -164.4 | 92.8 | 138.3 | 32.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 560 | I | 30.7 | Very low | 34.8 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 59% | 0.585 | 73% | 0.726 | S | S | * | * | | | | 40.9 | 145 | 89.9 | -61.6 | 176.5 | 0 | 0 | 0 | 110.1 | D562 | I560-D562 HydrophobicContact CG2-CB 3.65Å; I560-D562 WeakPolarHBondContact CG2-OD1 3.44Å; I560-D562 WeakPolarHBondContact CG2-OD2 3.42Å |
| 561 | P | 46.7 | Very low | 34.7 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | | | | -156.5 | 124.5 | 71 | 33.7 | -5.2 | 0 | 0 | 0 | 112.6 | | |
| 562 | D | 29.8 | Very low | 35.1 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 58% | 0.583 | 74% | 0.74 | S | S | * | * | | | | 86.8 | 105.7 | 93 | -94.2 | -18.1 | 0 | 0 | 0 | 110.3 | I560 | I560-D562 HydrophobicContact CG2-CB 3.65Å; I560-D562 WeakPolarHBondContact CG2-OD1 3.44Å; I560-D562 WeakPolarHBondContact CG2-OD2 3.42Å |
| 563 | L | 33.2 | Very low | 35.6 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | | | | 139.2 | 106.3 | 89.8 | -79 | 174.9 | 0 | 0 | 0 | 109.5 | | |
| 564 | L | 32.5 | Very low | 35.8 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | | | | 121.8 | 102.9 | 99.3 | -158.5 | 70.2 | 0 | 0 | 0 | 109.8 | | |
| 565 | I | 37.8 | Very low | 36.3 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 70% | 0.697 | 74% | 0.742 | S | S | * | * | | | | 128.9 | 100.4 | 107.7 | -64.9 | 171.9 | 0 | 0 | 0 | 108.2 | | |
| 566 | D | 26.6 | Very low | 36.3 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | | | trans | -19.9 | 151.7 | 139.7 | -130 | -6.9 | 0 | 0 | 0 | 111.9 | | |
| 567 | P | 41.5 | Very low | 36.6 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 66% | 0.656 | 73% | 0.734 | S | S | * | * | | | cis | -176.3 | 0 | 33.1 | 33.4 | -4.3 | 0 | 0 | 0 | 111.9 | | |
| 568 | Q | 36.8 | Very low | 35.9 | Very low | 197 Ų | 197 | 129.7 Ų | 129.7 | 92% | 0.921 | 74% | 0.74 | S | S | * | * | | | | 0 | 0 | 0 | -84.2 | -176.4 | 14.3 | 0 | 0 | 109.2 | | |
| 569 | N | 33.6 | Very low | 35.6 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | | | | 0 | 0 | 0 | -117.8 | -6.9 | 0 | 0 | 0 | 112 | | |
| 570 | P | 48.7 | Very low | 35.5 | Very low | 98 Ų | 98 | 129 Ų | 129 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | | | | 0 | 142.9 | 0 | 34.1 | -5.1 | 0 | 0 | 0 | 111.9 | | |
| 571 | M | 36.2 | Very low | 36.1 | Very low | 194 Ų | 194 | 129.2 Ų | 129.2 | 96% | 0.956 | 75% | 0.745 | S | S | * | * | | | trans | -176.1 | 113.4 | 131.4 | -77.9 | -133.7 | -43.7 | 0 | 0 | 108.9 | | |
| 572 | G | 36.2 | Very low | 35.2 | Very low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | | | | 130.8 | 107.4 | 90.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 573 | L | 39.5 | Very low | 35.1 | Very low | 180 Ų | 180 | 127.9 Ų | 127.9 | 94% | 0.942 | 75% | 0.752 | S | S | * | * | | | | 115.5 | 106.4 | 96 | -78.7 | 169.5 | 0 | 0 | 0 | 109.6 | | |
| 574 | G | 34.1 | Very low | 34.8 | Very low | 59 Ų | 59 | 129.5 Ų | 129.5 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | | | | 69.1 | 111.2 | 91.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 575 | H | 36 | Very low | 34.7 | Very low | 185 Ų | 185 | 127.6 Ų | 127.6 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | | | | 116.9 | 106.3 | 92.5 | -79.5 | -81.3 | 0 | 0 | 0 | 109.8 | | |
| 576 | S | 33.3 | Very low | 34.1 | Very low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | | 76 | 113.8 | 81.5 | -69.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 577 | V | 34.1 | Very low | 34 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | | | | 84.6 | 108.1 | 89.9 | 177.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 578 | L | 32.2 | Very low | 33.4 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | | | | 97.9 | 104.1 | 91.5 | -118.5 | 106.2 | 0 | 0 | 0 | 109.8 | | |
| 579 | T | 31.4 | Very low | 33 | Very low | 116 Ų | 116 | 121.8 Ų | 121.8 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | | | | 75.5 | 139.6 | 95.8 | 42.1 | 0 | 0 | 0 | 0 | 110 | | |
| 580 | P | 35.1 | Very low | 32.6 | Very low | 110 Ų | 110 | 120.8 Ų | 120.8 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | | | trans | -77.2 | -178.9 | -163.4 | 34.3 | -5.1 | 0 | 0 | 0 | 112 | | |
| 581 | P | 43.3 | Very low | 31.8 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | | | | -141.3 | 147.3 | -54.4 | 34.1 | -5.5 | 0 | 0 | 0 | 112 | | |
| 582 | A | 27.7 | Very low | 31.3 | Very low | 91 Ų | 91 | 121.3 Ų | 121.3 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | | | | 167.3 | 126.7 | 125.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 583 | S | 26.7 | Very low | 31.3 | Very low | 98 Ų | 98 | 123.2 Ų | 123.2 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | | 127.2 | 127.8 | 96 | -31.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 584 | I | 26.8 | Very low | 30.7 | Very low | 168 Ų | 168 | 120 Ų | 120 | 86% | 0.862 | 74% | 0.738 | S | S | * | * | | | | 106.2 | 0 | 110.2 | -67.1 | 167.1 | 0 | 0 | 0 | 108.5 | | |
| 585 | A | 31.2 | Very low | 30.4 | Very low | 97 Ų | 97 | 122.2 Ų | 122.2 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | | | | 0 | 116.3 | 0 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 586 | L | 26.2 | Very low | 30 | Very low | 144 Ų | 144 | 118.8 Ų | 118.8 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | | | | 6.1 | 123.2 | 101.5 | -108 | 143.5 | 0 | 0 | 0 | 111.6 | | |
| 587 | I | 24.2 | Very low | 29.9 | Very low | 139 Ų | 139 | 119.4 Ų | 119.4 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | | | | 102.2 | 115.2 | 124.2 | -64.4 | 172.2 | 0 | 0 | 0 | 108.8 | | |
| 588 | S | 27.4 | Very low | 29.4 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | | 155.1 | 107.5 | 122 | 52.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 589 | A | 29.7 | Very low | 29.3 | Very low | 72 Ų | 72 | 123.1 Ų | 123.1 | 60% | 0.595 | 76% | 0.758 | S | S | * | * | | | | 102.3 | 105.1 | 103 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 590 | I | 24.4 | Very low | 29.1 | Very low | 143 Ų | 143 | 122.5 Ų | 122.5 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | | 79 | 102.5 | 96.3 | -58.1 | 174.9 | 0 | 0 | 0 | 109.3 | | |
| 591 | N | 31.4 | Very low | 28.9 | Very low | 153 Ų | 153 | 125 Ų | 125 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | | 153 | 82.1 | 120.1 | -90 | -21 | 0 | 0 | 0 | 109.7 | | |
| 592 | N | 27.1 | Very low | 28.1 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | | | trans | -68.3 | 145.8 | 136.4 | -118.2 | -27.1 | 0 | 0 | 0 | 111.4 | | |
| 593 | P | 35.7 | Very low | 28.4 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | | 179.5 | 128.4 | 61 | 33.8 | -4.7 | 0 | 0 | 0 | 111.9 | | |
| 594 | S | 26.1 | Very low | 28.6 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | 161.8 | 103.2 | 137.1 | 33.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 595 | S | 29 | Very low | 28.8 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | | 163.7 | 107.6 | 114.7 | 54.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 596 | S | 26.1 | Very low | 28.8 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | | | | 24.8 | 102.7 | 106.5 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 597 | S | 31.5 | Very low | 28.9 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | | | | -159.5 | 100.2 | 129.7 | 5.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 598 | F | 25.2 | Very low | 29.4 | Very low | 204 Ų | 204 | 133.4 Ų | 133.4 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | | | | -48.7 | 111.7 | 124.2 | -88.7 | -78.3 | 0 | 0 | 0 | 111 | | |
| 599 | T | 29.2 | Very low | 29.6 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | | | trans | 167.1 | 116.3 | 132.6 | 46.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 600 | S | 27.4 | Very low | 29.5 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | | 114.5 | 113.3 | 93.4 | 174.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 601 | I | 30.7 | Very low | 29.9 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | | | | -171.9 | 101.3 | 113.1 | -62.8 | 176.4 | 0 | 0 | 0 | 107.9 | | |
| 602 | Y | 27.3 | Very low | 29.8 | Very low | 190 Ų | 190 | 137.4 Ų | 137.4 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | | | | -17.5 | 134.5 | 120.7 | -104.8 | -85.3 | 0 | 0 | 0 | 111.6 | | |
| 603 | P | 34 | Very low | 30.1 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | | | trans | -106.8 | 107.1 | 141.9 | 32.8 | -4.7 | 0 | 0 | 0 | 111.5 | | |
| 604 | T | 30.8 | Very low | 30.6 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | | | trans | -67.5 | 120.5 | 152.2 | 17.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 605 | L | 30 | Very low | 31.6 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | | | trans | -140.5 | 109.1 | 136.8 | -94.2 | 153.3 | 0 | 0 | 0 | 109.5 | | |
| 606 | L | 30.6 | Very low | 31.6 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 55% | 0.55 | 77% | 0.773 | S | S | . | * | | | | 117.9 | 107.9 | 91.2 | -95.7 | 155.2 | 0 | 0 | 0 | 109.8 | | |
| 607 | H | 30.1 | Very low | 31.8 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | | | | 138 | 114.8 | 91.7 | -94.2 | 94.2 | 0 | 0 | 0 | 109.4 | | |
| 608 | Q | 33.6 | Very low | 31.8 | Very low | 190 Ų | 190 | 143.6 Ų | 143.6 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | | | trans | -85.1 | 0 | 137.8 | -91.3 | -163.7 | -7.1 | 0 | 0 | 110.6 | | |
| 609 | P | 31.9 | Very low | 32.1 | Very low | 107 Ų | 107 | 140 Ų | 140 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | | | | 0 | 124.3 | 0 | 33.4 | -4.9 | 0 | 0 | 0 | 111.7 | | |
| 610 | N | 28.3 | Very low | 32.3 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | | | | 172.7 | 108.4 | 126 | -109.9 | -27.2 | 0 | 0 | 0 | 109.9 | | |
| 611 | Q | 31.8 | Very low | 32.7 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | | | | 89.9 | 0 | 92.3 | -74 | -154.3 | -10.6 | 0 | 0 | 110.2 | | |
| 612 | N | 30.7 | Very low | 32.6 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | | | | 0 | 110.7 | 0 | -82.7 | -22 | 0 | 0 | 0 | 110.1 | | |
| 613 | F | 31.7 | Very low | 33.3 | Very low | 211 Ų | 211 | 134.2 Ų | 134.2 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | | | trans | -100.4 | 107.5 | 158 | -98.4 | -81.5 | 0 | 0 | 0 | 109.8 | | |
| 614 | F | 46.4 | Very low | 33.2 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 77% | 0.772 | 75% | 0.749 | S | S | * | * | | | trans | -63.7 | 0 | 147.6 | -89.1 | -80.9 | 0 | 0 | 0 | 110.9 | | |
| 615 | P | 47.4 | Very low | 33.4 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | | | | 0 | 141.1 | 0 | 33.6 | -5.5 | 0 | 0 | 0 | 112 | | |
| 616 | T | 30.1 | Very low | 33.3 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | | | | -175.3 | 116.5 | 112.2 | 54 | 0 | 0 | 0 | 0 | 109 | | |
| 617 | S | 29.4 | Very low | 34 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | | 152.3 | 0 | 97.2 | 56.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 618 | S | 30.9 | Very low | 34.1 | Very low | 96 Ų | 96 | 136.1 Ų | 136.1 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | | | | 0 | 105.9 | 0 | 56.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 619 | T | 32.7 | Very low | 34 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | | | | 128.3 | 103.6 | 100.8 | 45 | 0 | 0 | 0 | 0 | 109.1 | | |
| 620 | H | 33.7 | Very low | 33.8 | Very low | 179 Ų | 179 | 131.7 Ų | 131.7 | 83% | 0.829 | 74% | 0.736 | S | S | * | * | | | | 135.4 | 99 | 105.8 | -139.3 | -68.6 | 0 | 0 | 0 | 109.4 | | |
| 621 | S | 35.7 | Very low | 33.8 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | | | | 124 | 98.4 | 105.1 | 47.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 622 | G | 27.6 | Very low | 33.7 | Very low | 67 Ų | 67 | 130 Ų | 130 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | | | | -7.9 | 0 | 111.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 623 | P | 42.5 | Very low | 33.6 | Very low | 113 Ų | 113 | 127 Ų | 127 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | | | | 0 | 0 | 0 | 34.9 | -5.8 | 0 | 0 | 0 | 112.2 | | |
| 624 | V | 31.8 | Very low | 33.5 | Very low | 115 Ų | 115 | 122 Ų | 122 | 70% | 0.697 | 74% | 0.739 | S | S | * | * | | | | 0 | 0 | 0 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 625 | S | 33.8 | Very low | 32.8 | Very low | 89 Ų | 89 | 116.5 Ų | 116.5 | 62% | 0.622 | 73% | 0.732 | S | S | * | * | | | | 0 | 0 | 0 | -99.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 626 | Y | 28.4 | Very low | 32 | Very low | 195 Ų | 195 | 117 Ų | 117 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | | | | 0 | 147 | 0 | -87.6 | -79.9 | 0 | 0 | 0 | 110.4 | | |
| 627 | P | 46.3 | Very low | 32 | Very low | 90 Ų | 90 | 118.5 Ų | 118.5 | 58% | 0.584 | 73% | 0.731 | S | S | * | * | | | cis | 178.7 | 149.4 | -5 | 35.2 | -6.3 | 0 | 0 | 0 | 112.3 | | |
| 628 | Y | 30.6 | Very low | 32.2 | Very low | 203 Ų | 203 | 120.8 Ų | 120.8 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | | | | 119.5 | 118.1 | 107.1 | -116 | -91.5 | 0 | 0 | 0 | 109.6 | | |
| 629 | S | 32.2 | Very low | 32.2 | Very low | 75 Ų | 75 | 122.7 Ų | 122.7 | 52% | 0.524 | 74% | 0.741 | S | S | . | * | | | | 129 | 121.1 | 81.8 | -72.7 | 0 | 0 | 0 | 0 | 110 | | |
| 630 | T | 28.2 | Very low | 32 | Very low | 129 Ų | 129 | 124 Ų | 124 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | | 57.5 | 123.3 | 82.3 | 36.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 631 | A | 28.6 | Very low | 32 | Very low | 88 Ų | 88 | 119 Ų | 119 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | | 127.3 | 119.5 | 111.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 632 | L | 29 | Very low | 32.2 | Very low | 166 Ų | 166 | 119.9 Ų | 119.9 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | | | | 100.7 | 114.8 | 98.7 | -153.8 | 70.9 | 0 | 0 | 0 | 109.9 | | |
| 633 | A | 28.9 | Very low | 32.3 | Very low | 94 Ų | 94 | 120.2 Ų | 120.2 | 78% | 0.777 | 73% | 0.73 | S | S | * | * | | | | 69.8 | 117.8 | 110.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 634 | A | 29.5 | Very low | 32.2 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 88% | 0.884 | 73% | 0.733 | S | S | * | * | | | | 134.4 | 111.9 | 128.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 635 | G | 31.1 | Very low | 32.1 | Very low | 60 Ų | 60 | 123.7 Ų | 123.7 | 62% | 0.619 | 74% | 0.74 | S | S | * | * | | | | 114.8 | 111.7 | 102.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 636 | T | 31.6 | Very low | 32 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | | | | 66.2 | 115 | 109.7 | 51.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 637 | H | 30 | Very low | 32.2 | Very low | 161 Ų | 161 | 123.1 Ų | 123.1 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | | | | 119.3 | 108.2 | 106.8 | -94.6 | -83.4 | 0 | 0 | 0 | 109.5 | | |
| 638 | L | 33.5 | Very low | 31.7 | Very low | 155 Ų | 155 | 125.4 Ų | 125.4 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | | | | 133.8 | 102 | 123.6 | -84.9 | 159.9 | 0 | 0 | 0 | 109.1 | | |
| 639 | V | 31.2 | Very low | 31.7 | Very low | 136 Ų | 136 | 120.3 Ų | 120.3 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | | | | 14.9 | 114 | 106.1 | -156.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 640 | N | 28.1 | Very low | 31.9 | Very low | 155 Ų | 155 | 123.9 Ų | 123.9 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | | | trans | 170 | 105.6 | 136.7 | -150.2 | 22.7 | 0 | 0 | 0 | 109.6 | | |
| 641 | A | 34.1 | Very low | 32.2 | Very low | 75 Ų | 75 | 123.6 Ų | 123.6 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | | | | 154 | 94.5 | 118.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 642 | T | 38.6 | Very low | 32.8 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | | 138.2 | 91.4 | 105.3 | -38 | 0 | 0 | 0 | 0 | 109.2 | | |
| 643 | A | 31 | Very low | 32.9 | Very low | 74 Ų | 74 | 121.1 Ų | 121.1 | 61% | 0.612 | 76% | 0.762 | S | S | * | * | | | | 61.4 | 0 | 108.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 644 | P | 39.4 | Very low | 33 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | | | | 0 | 0 | 0 | 32.7 | -4.1 | 0 | 0 | 0 | 111.8 | | |
| 645 | Q | 29.9 | Very low | 33 | Very low | 177 Ų | 177 | 120.3 Ų | 120.3 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | | | | 0 | 116.9 | 0 | -70.4 | -143.8 | -6.8 | 0 | 0 | 109.2 | | |
| 646 | M | 32.2 | Very low | 32.9 | Very low | 187 Ų | 187 | 124.6 Ų | 124.6 | 92% | 0.921 | 76% | 0.76 | S | S | * | * | | | | -174.4 | 0 | 108.4 | -95.4 | -165 | -92.6 | 0 | 0 | 109.2 | | |
| 647 | A | 32.6 | Very low | 32.7 | Very low | 86 Ų | 86 | 124.7 Ų | 124.7 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 648 | T | 35.9 | Very low | 33 | Very low | 137 Ų | 137 | 124.2 Ų | 124.2 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | | | | 0 | 104.1 | 0 | 32.2 | 0 | 0 | 0 | 0 | 109 | | |
| 649 | S | 30.8 | Very low | 33.1 | Very low | 97 Ų | 97 | 121.7 Ų | 121.7 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | | | | 106.3 | 102.5 | 106.9 | 170.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 650 | L | 35.8 | Very low | 33 | Very low | 149 Ų | 149 | 122 Ų | 122 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | | | | 127.4 | 98.8 | 116.6 | -89.1 | 143.9 | 0 | 0 | 0 | 109.3 | | |
| 651 | V | 35.1 | Very low | 33.1 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | | | | 68.2 | 139.6 | 104.6 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 652 | P | 41.4 | Very low | 33 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | | | cis | -142.3 | 137 | -24.5 | 31.1 | -2.4 | 0 | 0 | 0 | 112.2 | | |
| 653 | A | 30.6 | Very low | 32.7 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | | | | 103.2 | 102.3 | 79.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 654 | A | 30.2 | Very low | 32.8 | Very low | 85 Ų | 85 | 128.4 Ų | 128.4 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | | | | 49.3 | 117.7 | 75.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 655 | V | 29.7 | Very low | 33.3 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 61% | 0.606 | 74% | 0.74 | S | S | * | * | | | | 90.3 | 97.3 | 95.1 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | N657 | V655-N657 HydrophobicContact CG1-CB 3.85Å; V655-N657 VanDerWaalsContact CG1-CG 3.48Å; V655-N657 WeakPolarHBondContact CG1-ND2 3.49Å; V655-N657 PolarHBondContact O-N 3.2Å |
| 656 | T | 28.8 | Very low | 33.2 | Very low | 150 Ų | 150 | 127 Ų | 127 | 92% | 0.92 | 74% | 0.741 | S | S | * | * | | | trans | -39.6 | 69.2 | 151.7 | 40.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 657 | N | 27.9 | Very low | 33.2 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | | | trans | -118.9 | 119.3 | 161.6 | -92.9 | -41.6 | 0 | 0 | 0 | 110 | V655 | V655-N657 HydrophobicContact CG1-CB 3.85Å; V655-N657 VanDerWaalsContact CG1-CG 3.48Å; V655-N657 WeakPolarHBondContact CG1-ND2 3.49Å; V655-N657 PolarHBondContact O-N 3.2Å |
| 658 | L | 35.7 | Very low | 33 | Very low | 152 Ų | 152 | 124.6 Ų | 124.6 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | | | | 54.3 | 0 | 124.6 | -124 | 88.1 | 0 | 0 | 0 | 110.9 | | |
| 659 | P | 36 | Very low | 32.7 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 66% | 0.656 | 73% | 0.731 | S | S | * | * | | | | 0 | 143.9 | 0 | 34.1 | -5 | 0 | 0 | 0 | 112.3 | | |
| 660 | N | 28.9 | Very low | 32.5 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | | | | 119.9 | 119.8 | 86.9 | -103.4 | -9.6 | 0 | 0 | 0 | 110.3 | | |
| 661 | M | 31.3 | Very low | 32.4 | Very low | 168 Ų | 168 | 132 Ų | 132 | 83% | 0.828 | 74% | 0.739 | S | S | * | * | | | | 146.4 | 110.1 | 103.7 | -85.5 | -136.8 | 75 | 0 | 0 | 109.2 | | |
| 662 | H | 30.6 | Very low | 32.1 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | | | | 33 | 0 | 126.9 | -124.2 | -100.1 | 0 | 0 | 0 | 111.5 | | |
| 663 | N | 32.7 | Very low | 31.6 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | | | | 0 | 93.4 | 0 | -110 | -1.1 | 0 | 0 | 0 | 109.9 | | |
| 664 | S | 33.2 | Very low | 31.6 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | | | trans | 25.9 | 115.8 | 164.4 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 665 | N | 50.6 | Low | 32.4 | Very low | 91 Ų | 91 | 134.2 Ų | 134.2 | 49% | 0.487 | 74% | 0.742 | S | S | . | * | | | | -169.3 | 84.1 | 82.3 | -77 | -8.8 | 0 | 0 | 0 | 109.7 | T667 | N665-T667 PolarHBondContact O-N 3.37Š|
| 666 | E | 27.4 | Very low | 32.8 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | | | trans | 117.2 | 119 | -166.9 | -80.2 | -157.7 | 166.8 | 0 | 0 | 110.3 | | |
| 667 | T | 32.2 | Very low | 33.2 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | | | | 54.6 | 0 | 93.9 | 47.2 | 0 | 0 | 0 | 0 | 110.5 | N665 | N665-T667 PolarHBondContact O-N 3.37Š|
| 668 | S | 28.5 | Very low | 33.5 | Very low | 95 Ų | 95 | 132.7 Ų | 132.7 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | | | | 0 | 0 | 0 | -86.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 669 | F | 29.3 | Very low | 33.3 | Very low | 190 Ų | 190 | 131.9 Ų | 131.9 | 83% | 0.833 | 74% | 0.741 | S | S | * | * | | | | 0 | 0 | 0 | -88.8 | -80.4 | 0 | 0 | 0 | 109 | | |
| 670 | M | 26.6 | Very low | 33.1 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 84% | 0.837 | 74% | 0.739 | S | S | * | * | | | | 0 | 0 | 0 | -79.6 | -100.6 | -128.9 | 0 | 0 | 110.7 | | |
| 671 | F | 33.4 | Very low | 33.2 | Very low | 178 Ų | 178 | 133 Ų | 133 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | | | | 0 | 108.5 | 0 | -93.6 | -79.7 | 0 | 0 | 0 | 109 | | |
| 672 | Q | 28.4 | Very low | 33.2 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | | | | 77.8 | 0 | 91.2 | -142.7 | 148 | 11.6 | 0 | 0 | 110.5 | | |
| 673 | S | 31.1 | Very low | 33 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | | | | 0 | 116.1 | 0 | 47.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 674 | G | 31.1 | Very low | 32.9 | Very low | 69 Ų | 69 | 127.1 Ų | 127.1 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | | | | 133.3 | 0 | 111.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 675 | P | 46.3 | Very low | 32.6 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | | | | 0 | 169.8 | 0 | 34.6 | -5 | 0 | 0 | 0 | 112 | | |
| 676 | P | 39 | Very low | 31.7 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | | | | -170.5 | 129 | 82.8 | 34.6 | -6 | 0 | 0 | 0 | 112.1 | | |
| 677 | H | 36.5 | Very low | 31.9 | Very low | 183 Ų | 183 | 130.3 Ų | 130.3 | 85% | 0.847 | 75% | 0.75 | S | S | * | * | | | | 139.5 | 100.9 | 107.2 | -88.9 | -80.7 | 0 | 0 | 0 | 109.4 | | |
| 678 | G | 35 | Very low | 32.3 | Very low | 62 Ų | 62 | 129.9 Ų | 129.9 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | | | | 101.2 | 101.6 | 96.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 679 | T | 32.1 | Very low | 32.3 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | | 82.8 | 120.3 | 97.2 | 55.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 680 | S | 31.3 | Very low | 33 | Very low | 90 Ų | 90 | 129.2 Ų | 129.2 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | | | | 98.2 | 125.9 | 97.4 | 76 | 0 | 0 | 0 | 0 | 110.2 | | |
| 681 | F | 30.7 | Very low | 33.3 | Very low | 178 Ų | 178 | 122.1 Ų | 122.1 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | | | | 94.5 | 124.9 | 97.3 | -83.1 | -78.1 | 0 | 0 | 0 | 109.9 | | |
| 682 | I | 31 | Very low | 33.3 | Very low | 143 Ų | 143 | 119 Ų | 119 | 73% | 0.733 | 71% | 0.711 | S | S | * | * | | | | 90.6 | 128.3 | 106.8 | -59.9 | 178.5 | 0 | 0 | 0 | 108.7 | | |
| 683 | S | 27.1 | Very low | 33.5 | Very low | 104 Ų | 104 | 116.3 Ų | 116.3 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | | | | 63.8 | 127.5 | 117.6 | -126.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 684 | S | 29.8 | Very low | 33.5 | Very low | 95 Ų | 95 | 119.5 Ų | 119.5 | 66% | 0.664 | 70% | 0.702 | S | S | * | * | | | | 100.9 | 122.6 | 116.1 | -34.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 685 | N | 27.9 | Very low | 34.4 | Very low | 144 Ų | 144 | 120.8 Ų | 120.8 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | | | | 90.7 | 116.1 | 114.6 | -87.2 | -24.1 | 0 | 0 | 0 | 110.6 | | |
| 686 | F | 30.6 | Very low | 34.1 | Very low | 203 Ų | 203 | 120.4 Ų | 120.4 | 89% | 0.89 | 70% | 0.695 | S | S | * | * | | | trans | 152.4 | 98.5 | 130.6 | -102 | -85.4 | 0 | 0 | 0 | 108.8 | | |
| 687 | A | 32 | Very low | 33.5 | Very low | 86 Ų | 86 | 120.5 Ų | 120.5 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | | | trans | -14.2 | 0 | 141.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 688 | P | 40.3 | Very low | 33.4 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 76% | 0.76 | 70% | 0.697 | S | S | * | * | | | | 0 | 146 | 0 | 33.3 | -4.3 | 0 | 0 | 0 | 111.9 | | |
| 689 | N | 29.9 | Very low | 33.1 | Very low | 154 Ų | 154 | 125.7 Ų | 125.7 | 82% | 0.824 | 70% | 0.703 | S | S | * | * | | | | 62.9 | 0 | 115.8 | -101.6 | -16.7 | 0 | 0 | 0 | 111.4 | | |
| 690 | P | 42.9 | Very low | 33.4 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 76% | 0.76 | 70% | 0.697 | S | S | * | * | | | | 0 | 0 | 0 | 33.8 | -5.3 | 0 | 0 | 0 | 112 | | |
| 691 | G | 32.4 | Very low | 33.5 | Very low | 21 Ų | 21 | 125.3 Ų | 125.3 | 22% | 0.216 | 70% | 0.698 | C | S | . | * | | | | 0 | 121.7 | 0 | 0 | 0 | 0 | 0 | 0 | 110.4 | K1364 | G691-K1364 VanDerWaalsContact O-CD 3.26Å; G691-K1364 WeakPolarHBondContact O-CD 1.77Å; G691-K1364 WeakPolarHBondContact O-CE 3.41Å; G691-K1364 WeakPolarHBondContact O-CG 3.47Å |
| 692 | Q | 34.7 | Very low | 33.5 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 52% | 0.523 | 70% | 0.699 | S | S | . | * | | | | 57 | 0 | 89.1 | -87.3 | -150.5 | 24.7 | 0 | 0 | 111.3 | K1364 A1365 | Q692-K1364 CarbonylContact O-C 3.55Å; Q692-K1364 VanDerWaalsContact O-C 3.27Å; Q692-K1364 WeakPolarHBondContact O-CA 3.16Å; Q692-K1364 WeakPolarHBondContact O-CG 3.37Å; Q692-A1365 VanDerWaalsContact O-CA 3.27Å; Q692-A1365 WeakPolarHBondContact O-CA 2.14Å; Q692-A1365 PolarHBondContact O-N 2.77Å |
| 693 | L | 31 | Very low | 34.1 | Very low | 99 Ų | 99 | 123.5 Ų | 123.5 | 52% | 0.518 | 70% | 0.696 | S | S | . | * | | | | 0 | 122 | 0 | -94.2 | 154.1 | 0 | 0 | 0 | 109.5 | | |
| 694 | F | 32 | Very low | 34.4 | Very low | 178 Ų | 178 | 125.1 Ų | 125.1 | 78% | 0.781 | 70% | 0.696 | S | S | * | * | | | | 55.6 | 0 | 98.8 | -88.5 | -80 | 0 | 0 | 0 | 110.9 | | |
| 695 | P | 49.8 | Very low | 34.4 | Very low | 97 Ų | 97 | 126.5 Ų | 126.5 | 63% | 0.63 | 70% | 0.696 | S | S | * | * | | | | 0 | 0 | 0 | 34.2 | -5.9 | 0 | 0 | 0 | 111.9 | | |
| 696 | P | 40.8 | Very low | 34.5 | Very low | 113 Ų | 113 | 128 Ų | 128 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | | | | 0 | 141.1 | 0 | 33.5 | -5 | 0 | 0 | 0 | 111.9 | | |
| 697 | C | 26.9 | Very low | 34.3 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 68% | 0.682 | 69% | 0.69 | S | S | * | * | | | | 75.9 | 0 | 79.7 | -65.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 698 | Q | 33.7 | Very low | 34.2 | Very low | 181 Ų | 181 | 127.1 Ų | 127.1 | 85% | 0.846 | 69% | 0.687 | S | S | * | * | | | | 0 | 119 | 0 | -102.3 | 175.2 | -13 | 0 | 0 | 109.7 | | |
| 699 | F | 27.5 | Very low | 33.7 | Very low | 173 Ų | 173 | 127.9 Ų | 127.9 | 76% | 0.759 | 68% | 0.684 | S | S | * | * | | | | 87.3 | 0 | 75.4 | -91.8 | -81.5 | 0 | 0 | 0 | 110.2 | | |
| 700 | P | 40.3 | Very low | 33.6 | Very low | 106 Ų | 106 | 126.7 Ų | 126.7 | 69% | 0.688 | 68% | 0.678 | S | S | * | * | | | | 0 | 0 | 0 | 33.8 | -5.3 | 0 | 0 | 0 | 112.2 | | |
| 701 | T | 31.7 | Very low | 33 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | | | | 0 | 114.6 | 0 | -36.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 702 | F | 30.4 | Very low | 32.8 | Very low | 182 Ų | 182 | 132.6 Ų | 132.6 | 80% | 0.798 | 71% | 0.706 | S | S | * | * | | | | 94.1 | 0 | 87.8 | -89.8 | -80.9 | 0 | 0 | 0 | 109.9 | | |
| 703 | P | 44.4 | Very low | 32.4 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 66% | 0.662 | 72% | 0.721 | S | S | * | * | | | | 0 | 142.7 | 0 | 33.4 | -4.6 | 0 | 0 | 0 | 112.1 | | |
| 704 | N | 32.6 | Very low | 32.3 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | | | | 154.2 | 117.1 | 117.7 | -100.6 | -40.3 | 0 | 0 | 0 | 109.9 | | |
| 705 | L | 30 | Very low | 32.1 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 65% | 0.654 | 74% | 0.738 | S | S | * | * | | | | 120.2 | 110.5 | 84.2 | -122.4 | 119.7 | 0 | 0 | 0 | 109.8 | | |
| 706 | F | 30.8 | Very low | 31 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 76% | 0.763 | 74% | 0.744 | S | S | * | * | | | | 96.3 | 113.3 | 97.1 | -91.2 | -79.7 | 0 | 0 | 0 | 109.9 | | |
| 707 | Q | 26.5 | Very low | 30.4 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | | | | 36.3 | 121.5 | 94.2 | -104.8 | 170.7 | 30.4 | 0 | 0 | 111.3 | | |
| 708 | T | 28.8 | Very low | 30.5 | Very low | 105 Ų | 105 | 140 Ų | 140 | 64% | 0.644 | 74% | 0.74 | S | S | * | * | | | | 143 | 127.4 | 100.4 | 50.2 | 0 | 0 | 0 | 0 | 109 | | |
| 709 | N | 29.7 | Very low | 30.1 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | | | | 116.4 | 126.3 | 89.8 | -79.7 | -11.3 | 0 | 0 | 0 | 110 | | |
| 710 | D | 28.9 | Very low | 30.1 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | | | | 102.9 | 0 | 97.6 | -70.5 | -27.9 | 0 | 0 | 0 | 109.8 | | |
| 711 | N | 30.2 | Very low | 29.7 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | | | | 0 | 109.9 | 0 | -79.2 | -10.3 | 0 | 0 | 0 | 109.9 | | |
| 712 | C | 27.4 | Very low | 29.7 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | | | | 133 | 102 | 100.6 | -89.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 713 | L | 28 | Very low | 29.9 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | | | | 99.9 | 86.2 | 103.9 | -80.6 | 166.2 | 0 | 0 | 0 | 109.9 | | |
| 714 | T | 27.3 | Very low | 29.1 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | | | trans | -134.6 | 98.5 | 139.8 | 29.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 715 | N | 29.3 | Very low | 29 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | | | trans | -123.8 | 115.5 | 163.8 | -95 | -7.8 | 0 | 0 | 0 | 110.1 | | |
| 716 | T | 26.5 | Very low | 28.9 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | | | trans | -134.3 | 0 | 132.1 | -42.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 717 | F | 27.7 | Very low | 28.7 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 65% | 0.654 | 74% | 0.744 | S | S | * | * | | | | 0 | 0 | 0 | -97.2 | -79.4 | 0 | 0 | 0 | 109 | | |
| 718 | I | 29.9 | Very low | 29 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 68% | 0.677 | 74% | 0.741 | S | S | * | * | | | | 0 | 127.5 | 0 | -62.2 | -178.2 | 0 | 0 | 0 | 108.2 | | |
| 719 | S | 25.2 | Very low | 29.1 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | | | | 103.4 | 0 | 92.7 | -35.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 720 | S | 25.8 | Very low | 29.1 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | | | | 0 | 122.5 | 0 | 51.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 721 | S | 31.7 | Very low | 29.1 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | | | | -171.4 | 97.7 | 122.9 | 46.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 722 | L | 32.9 | Very low | 29.3 | Very low | 145 Ų | 145 | 125.4 Ų | 125.4 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | | | trans | -26.9 | 155.5 | 133.7 | -133.8 | 77.1 | 0 | 0 | 0 | 111.6 | T724 | L722-T724 HydrophobicContact CD2-CG2 3.99Š|
| 723 | P | 34.3 | Very low | 29.5 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | | -142.2 | 127.4 | 110 | 32.9 | -3.8 | 0 | 0 | 0 | 111.8 | | |
| 724 | T | 28.4 | Very low | 29.7 | Very low | 95 Ų | 95 | 126.3 Ų | 126.3 | 58% | 0.583 | 74% | 0.738 | S | S | * | * | | | | 31.7 | 123 | 99.1 | 18.9 | 0 | 0 | 0 | 0 | 110.7 | L722 | L722-T724 HydrophobicContact CD2-CG2 3.99Š|
| 725 | D | 29.3 | Very low | 29.9 | Very low | 149 Ų | 149 | 124.8 Ų | 124.8 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | | | | -170.9 | 0 | 119.5 | -99.4 | -13.6 | 0 | 0 | 0 | 109.4 | | |
| 726 | L | 27.5 | Very low | 29.9 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | | | | 0 | 125.1 | 0 | -79.2 | 161.7 | 0 | 0 | 0 | 110.8 | | |
| 727 | T | 28.4 | Very low | 30 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | | | | 128.5 | 118 | 104.3 | 53.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 728 | S | 32.5 | Very low | 30.2 | Very low | 103 Ų | 103 | 127 Ų | 127 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | | | | 146.5 | 0 | 107.7 | 72 | 0 | 0 | 0 | 0 | 109.5 | | |
| 729 | T | 29.6 | Very low | 30.3 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | | | | 0 | 0 | 0 | 35 | 0 | 0 | 0 | 0 | 110.1 | | |
| 730 | C | 29.5 | Very low | 30.6 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 68% | 0.676 | 75% | 0.75 | S | S | * | * | | | | 0 | 125.8 | 0 | -62.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 731 | D | 29 | Very low | 31 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | | | | 132.4 | 0 | 98.3 | -92.7 | -17.7 | 0 | 0 | 0 | 109.5 | | |
| 732 | T | 35.8 | Very low | 30.9 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | | | | 0 | 119.6 | 0 | 39.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 733 | K | 31.4 | Very low | 31.1 | Very low | 190 Ų | 190 | 128.9 Ų | 128.9 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | | | | 135 | 0 | 93.8 | -97.6 | -175.1 | -176.8 | 179.7 | 0 | 109.6 | | |
| 734 | S | 31.2 | Very low | 31 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | | | | 0 | 114.8 | 0 | 60.4 | 0 | 0 | 0 | 0 | 110 | | |
| 735 | S | 31.2 | Very low | 31.3 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | | 89.6 | 0 | 83.8 | 27.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 736 | L | 29.3 | Very low | 31.5 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | | | | 0 | 125 | 0 | -70.7 | 170.2 | 0 | 0 | 0 | 111.2 | | |
| 737 | N | 29.3 | Very low | 31.8 | Very low | 148 Ų | 148 | 124.3 Ų | 124.3 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | | -166.2 | 120.7 | 123.3 | -152.6 | 4.5 | 0 | 0 | 0 | 109.7 | | |
| 738 | M | 32.3 | Very low | 32 | Very low | 152 Ų | 152 | 121.8 Ų | 121.8 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | | | | 73.5 | 0 | 80.2 | -79.4 | -102.2 | -146.3 | 0 | 0 | 110.3 | | |
| 739 | N | 31.9 | Very low | 32.1 | Very low | 152 Ų | 152 | 123.2 Ų | 123.2 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | | 0 | 0 | 0 | -93.3 | -7.9 | 0 | 0 | 0 | 109.9 | | |
| 740 | G | 32.1 | Very low | 31.9 | Very low | 64 Ų | 64 | 122.5 Ų | 122.5 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 741 | S | 32.5 | Very low | 31.9 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | | 0 | 116.1 | 0 | -9.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 742 | N | 31.5 | Very low | 31.9 | Very low | 147 Ų | 147 | 123.3 Ų | 123.3 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | | | | 109.3 | 0 | 97.5 | -101.3 | -22.5 | 0 | 0 | 0 | 110.3 | | |
| 743 | L | 36.2 | Very low | 31.6 | Very low | 172 Ų | 172 | 122.8 Ų | 122.8 | 90% | 0.901 | 78% | 0.776 | S | S | * | * | | | | 0 | 109.1 | 0 | -86.9 | 153.3 | 0 | 0 | 0 | 109.1 | | |
| 744 | G | 32.6 | Very low | 31.4 | Very low | 82 Ų | 82 | 122.7 Ų | 122.7 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | | | | 109.7 | 110.1 | 93.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 745 | G | 34 | Very low | 31.1 | Very low | 74 Ų | 74 | 127.9 Ų | 127.9 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | | | | 122.5 | 111.8 | 96.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 746 | N | 34.5 | Very low | 31.5 | Very low | 171 Ų | 171 | 127.2 Ų | 127.2 | 91% | 0.914 | 77% | 0.769 | S | S | * | * | | | | 131.2 | 116.3 | 99.1 | -103.6 | -7.6 | 0 | 0 | 0 | 109.9 | | |
| 747 | G | 33 | Very low | 31.2 | Very low | 80 Ų | 80 | 129.6 Ų | 129.6 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | | 99 | 0 | 91 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 748 | G | 33.9 | Very low | 31.2 | Very low | 67 Ų | 67 | 128.6 Ų | 128.6 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | | | | 0 | 111.1 | 0 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 749 | T | 34.1 | Very low | 30.9 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | | | | 68.3 | 123.3 | 98.6 | 53.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 750 | C | 25.9 | Very low | 30.8 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | | | | 64.9 | 121.7 | 97.7 | -41.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 751 | L | 27.8 | Very low | 30.6 | Very low | 164 Ų | 164 | 129 Ų | 129 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | | | | 142.7 | 125.2 | 107.3 | -100.7 | 130.3 | 0 | 0 | 0 | 109.2 | | |
| 752 | S | 28.9 | Very low | 30.5 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | | | | 122.9 | 124.4 | 95.6 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 753 | T | 29.4 | Very low | 30.3 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 60% | 0.601 | 78% | 0.78 | S | S | * | * | | | | 105.3 | 129.4 | 90.1 | -23.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 754 | Y | 27.1 | Very low | 30.1 | Very low | 188 Ų | 188 | 131.4 Ų | 131.4 | 74% | 0.737 | 78% | 0.776 | S | S | * | * | | | | 98.9 | 123.7 | 100.1 | -109.9 | -90.6 | 0 | 0 | 0 | 109.9 | | |
| 755 | W | 26.4 | Very low | 29.9 | Very low | 209 Ų | 209 | 134.1 Ų | 134.1 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | | | | 133 | 158.8 | 97.3 | -83.9 | 61.3 | 0 | 0 | 0 | 109.4 | | |
| 756 | P | 38.9 | Very low | 30.3 | Very low | 91 Ų | 91 | 134.3 Ų | 134.3 | 59% | 0.591 | 76% | 0.76 | S | S | * | * | | | | -118.7 | 145.9 | -106.1 | 34 | -4.9 | 0 | 0 | 0 | 112 | | |
| 757 | Y | 23.8 | Very low | 30.2 | Very low | 222 Ų | 222 | 132.6 Ų | 132.6 | 87% | 0.871 | 76% | 0.755 | S | S | * | * | | | trans | 126.2 | 111.7 | 130.1 | -116.1 | -92.8 | 0 | 0 | 0 | 109.4 | | |
| 758 | V | 29.5 | Very low | 30.1 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | | | | 165.6 | 113.7 | 126.6 | 176.3 | 0 | 0 | 0 | 0 | 108 | | |
| 759 | S | 24.7 | Very low | 30 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | | 44.2 | 95.3 | 114.3 | -165.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 760 | S | 30 | Very low | 29.7 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | | | trans | -168.1 | 90.9 | 142.8 | -69.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 761 | N | 28.9 | Very low | 29.8 | Very low | 166 Ų | 166 | 141 Ų | 141 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | | | trans | -115 | 79.1 | 158.7 | -88.4 | -4.2 | 0 | 0 | 0 | 110.2 | | |
| 762 | D | 28.7 | Very low | 29.8 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | | | trans | -116.8 | 98.2 | 146.3 | -88.8 | -20.4 | 0 | 0 | 0 | 110.2 | | |
| 763 | L | 28.7 | Very low | 29.8 | Very low | 165 Ų | 165 | 137.9 Ų | 137.9 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | | | | 160.4 | 106.9 | 129.2 | -117 | 92.6 | 0 | 0 | 0 | 109 | | |
| 764 | I | 32 | Very low | 29.9 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | | | trans | -135 | 108.9 | 148.5 | -67.3 | 171.4 | 0 | 0 | 0 | 108.2 | | |
| 765 | N | 28.6 | Very low | 30 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | | | | 137.9 | 148.3 | 97 | -134.3 | -1.4 | 0 | 0 | 0 | 110.1 | | |
| 766 | P | 41.7 | Very low | 30.3 | Very low | 79 Ų | 79 | 131.2 Ų | 131.2 | 51% | 0.513 | 75% | 0.75 | S | S | . | * | | | cis | -176.4 | 141 | -34.1 | 35 | -6.4 | 0 | 0 | 0 | 111.9 | | |
| 767 | T | 32.3 | Very low | 30.1 | Very low | 135 Ų | 135 | 134 Ų | 134 | 83% | 0.828 | 76% | 0.755 | S | S | * | * | | | trans | 163.6 | 107.6 | 132.3 | 27.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 768 | S | 30.9 | Very low | 30.4 | Very low | 99 Ų | 99 | 131 Ų | 131 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | | | | 64.5 | 115.5 | 93.9 | -45.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 769 | I | 30.8 | Very low | 30.4 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 82% | 0.815 | 74% | 0.742 | S | S | * | * | | | | 128.2 | 108.2 | 99.7 | -75.8 | 172.1 | 0 | 0 | 0 | 108.1 | | |
| 770 | V | 28.4 | Very low | 30.7 | Very low | 123 Ų | 123 | 131 Ų | 131 | 75% | 0.745 | 74% | 0.739 | S | S | * | * | | | | 39 | 119.8 | 92.6 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 771 | Q | 29.3 | Very low | 30.6 | Very low | 181 Ų | 181 | 133.8 Ų | 133.8 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | | | | 170.6 | 119.3 | 113.7 | -129.3 | 173.4 | -17.1 | 0 | 0 | 109.5 | | |
| 772 | A | 26.1 | Very low | 30.7 | Very low | 73 Ų | 73 | 132.7 Ų | 132.7 | 60% | 0.603 | 73% | 0.732 | S | S | * | * | | | | 30.5 | 0 | 94.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 773 | T | 29.1 | Very low | 30.6 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | | | | 0 | 131.5 | 0 | 42.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 774 | N | 31.8 | Very low | 30.6 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | | | | 172.6 | 120.1 | 107.1 | -108.4 | -8.5 | 0 | 0 | 0 | 109.7 | | |
| 775 | S | 28.7 | Very low | 30.6 | Very low | 89 Ų | 89 | 129 Ų | 129 | 62% | 0.622 | 72% | 0.72 | S | S | * | * | | | | 106.4 | 0 | 76.2 | 65.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 776 | T | 33.3 | Very low | 30.8 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 72% | 0.718 | 72% | 0.718 | S | S | * | * | | | | 0 | 113.5 | 0 | 35.5 | 0 | 0 | 0 | 0 | 109 | | |
| 777 | H | 34.2 | Very low | 30.4 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | | | | 126.2 | 113.2 | 100.8 | -103.2 | -80.8 | 0 | 0 | 0 | 109.5 | | |
| 778 | Q | 30.7 | Very low | 30.5 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | | | | 119.9 | 116.2 | 94.5 | -129.9 | 174.6 | 8.6 | 0 | 0 | 109.8 | | |
| 779 | T | 29.9 | Very low | 30.5 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 64% | 0.644 | 72% | 0.722 | S | S | * | * | | | | 89.9 | 120.2 | 86.3 | 34.6 | 0 | 0 | 0 | 0 | 110 | | |
| 780 | D | 29.9 | Very low | 30.6 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 68% | 0.684 | 72% | 0.722 | S | S | * | * | | | | 137.1 | 118.8 | 99.6 | -86.5 | -18.7 | 0 | 0 | 0 | 109.5 | | |
| 781 | F | 29.7 | Very low | 30.8 | Very low | 165 Ų | 165 | 133 Ų | 133 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | | | | 125.8 | 116 | 92.7 | -114.7 | -91.2 | 0 | 0 | 0 | 109.3 | | |
| 782 | L | 30 | Very low | 31 | Very low | 144 Ų | 144 | 130.4 Ų | 130.4 | 75% | 0.754 | 71% | 0.714 | S | S | * | * | | | | 90.1 | 118.2 | 97.1 | -79.2 | 176 | 0 | 0 | 0 | 110 | | |
| 783 | Q | 25.9 | Very low | 31.2 | Very low | 184 Ų | 184 | 133 Ų | 133 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | | | | 17.7 | 0 | 110.4 | -153.7 | 93.2 | 21 | 0 | 0 | 111.5 | | |
| 784 | S | 29.3 | Very low | 31.4 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | | | | 0 | 117.4 | 0 | 163.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 785 | V | 33 | Very low | 31.5 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 70% | 0.697 | 72% | 0.722 | S | S | * | * | | | | 131.2 | 114.5 | 102.4 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 786 | N | 32.8 | Very low | 31.7 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | | | | 73.2 | 115.1 | 101.7 | -136 | 10.2 | 0 | 0 | 0 | 111 | | |
| 787 | N | 32.7 | Very low | 31.9 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | | | | 106.5 | 117.5 | 102.1 | -96 | -6.1 | 0 | 0 | 0 | 110.5 | | |
| 788 | N | 33.4 | Very low | 31.9 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | | | | 96.8 | 121.1 | 95.2 | -83 | -8.3 | 0 | 0 | 0 | 110.5 | | |
| 789 | N | 31.7 | Very low | 32.1 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | | | | 106.6 | 118.2 | 99.1 | -84.5 | -6 | 0 | 0 | 0 | 110.4 | | |
| 790 | N | 33.8 | Very low | 32.3 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | | | | 159.5 | 109.2 | 121.1 | -78.7 | -16.5 | 0 | 0 | 0 | 109.6 | | |
| 791 | N | 32.2 | Very low | 32.6 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | | | | 57.6 | 119.1 | 102.5 | -105.8 | -5.8 | 0 | 0 | 0 | 111.4 | | |
| 792 | L | 33.3 | Very low | 32.7 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 67% | 0.665 | 74% | 0.743 | S | S | * | * | | | | 106.5 | 119.4 | 105.9 | -103.2 | 127.4 | 0 | 0 | 0 | 109.8 | | |
| 793 | N | 30.3 | Very low | 33 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 68% | 0.684 | 74% | 0.737 | S | S | * | * | | | | 82.6 | 0 | 91 | -85.1 | -10.9 | 0 | 0 | 0 | 111 | | |
| 794 | D | 33.8 | Very low | 33.3 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | | | | 0 | 0 | 0 | -99.8 | -16.1 | 0 | 0 | 0 | 109.7 | | |
| 795 | R | 32 | Very low | 33.4 | Very low | 233 Ų | 233 | 140.5 Ų | 140.5 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | | | | 0 | 0 | 0 | -128.2 | 178.9 | 176.4 | 172.1 | -0.2 | 109.5 | | |
| 796 | S | 33.1 | Very low | 33.4 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | | | | 0 | 0 | 0 | 49.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 797 | K | 38.5 | Very low | 33.3 | Very low | 188 Ų | 188 | 138 Ų | 138 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | | | | 0 | 0 | 0 | -103.7 | -174 | -175.8 | -173.1 | 0 | 109.4 | | |
| 798 | M | 33.1 | Very low | 33 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | | | | 0 | 0 | 0 | -117 | 174.1 | -148.6 | 0 | 0 | 109.6 | | |
| 799 | N | 36.2 | Very low | 32.9 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | | | | 0 | 0 | 0 | -86 | -12.9 | 0 | 0 | 0 | 109.8 | | |
| 800 | D | 33 | Very low | 32.8 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | | 0 | 107 | 0 | -90.5 | -19.7 | 0 | 0 | 0 | 109.4 | | |
| 801 | V | 36.4 | Very low | 32.7 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | | 138.7 | 103.6 | 99.1 | 177.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 802 | N | 33 | Very low | 32.8 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | | 85.4 | 114.2 | 96.8 | -104.4 | -6 | 0 | 0 | 0 | 110.7 | | |
| 803 | T | 36 | Very low | 32.7 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 63% | 0.632 | 76% | 0.76 | S | S | * | * | | | | 75.3 | 0 | 79.4 | -26.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 804 | D | 32.7 | Very low | 33.1 | Very low | 141 Ų | 141 | 141.9 Ų | 141.9 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | | | | 0 | 120 | 0 | -79.9 | -18.9 | 0 | 0 | 0 | 109.3 | | |
| 805 | N | 31.3 | Very low | 33.1 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | | | | 5.6 | 119.5 | 112.5 | -92.3 | 4.3 | 0 | 0 | 0 | 112 | | |
| 806 | S | 31.3 | Very low | 33.2 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | | | trans | 166.9 | 119 | 145.8 | 55 | 0 | 0 | 0 | 0 | 109.2 | | |
| 807 | G | 30.5 | Very low | 33.2 | Very low | 69 Ų | 69 | 136.3 Ų | 136.3 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | | 98.8 | 102.2 | 109.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 808 | I | 28 | Very low | 32.9 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 80% | 0.795 | 73% | 0.731 | S | S | * | * | | | | 44.7 | 105 | 115.3 | -62.5 | -173.1 | 0 | 0 | 0 | 109.7 | | |
| 809 | L | 31.3 | Very low | 32.8 | Very low | 153 Ų | 153 | 125.1 Ų | 125.1 | 80% | 0.801 | 72% | 0.715 | S | S | * | * | | | | 122.2 | 110.2 | 128.6 | -77.7 | 168.8 | 0 | 0 | 0 | 109.5 | | |
| 810 | N | 28.2 | Very low | 32.5 | Very low | 152 Ų | 152 | 123.5 Ų | 123.5 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | | | | 52.7 | 0 | 103.6 | -99 | 10.7 | 0 | 0 | 0 | 111.3 | | |
| 811 | V | 33.4 | Very low | 32.3 | Very low | 113 Ų | 113 | 121 Ų | 121 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | | | | 0 | 117.2 | 0 | 176.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 812 | E | 32.7 | Very low | 32 | Very low | 162 Ų | 162 | 120.8 Ų | 120.8 | 76% | 0.757 | 70% | 0.699 | S | S | * | * | | | | 111.4 | 115.5 | 89.7 | -98.7 | -178.4 | 177.5 | 0 | 0 | 109.9 | | |
| 813 | N | 32.8 | Very low | 32.1 | Very low | 132 Ų | 132 | 120.4 Ų | 120.4 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | | | | 123.6 | 116.1 | 86.6 | -107.1 | -8.4 | 0 | 0 | 0 | 110 | | |
| 814 | I | 36.8 | Very low | 31.8 | Very low | 158 Ų | 158 | 123 Ų | 123 | 81% | 0.81 | 71% | 0.71 | S | S | * | * | | | | 174.9 | 101.5 | 109 | -62.6 | 174.5 | 0 | 0 | 0 | 107.9 | | |
| 815 | N | 35.1 | Very low | 31.5 | Very low | 133 Ų | 133 | 121.8 Ų | 121.8 | 71% | 0.711 | 71% | 0.708 | S | S | * | * | | | | 75.5 | 0 | 107.1 | -84.8 | -9.1 | 0 | 0 | 0 | 110.7 | | |
| 816 | D | 32.7 | Very low | 31.6 | Very low | 162 Ų | 162 | 121.8 Ų | 121.8 | 87% | 0.866 | 71% | 0.707 | S | S | * | * | | | | 0 | 0 | 0 | -88.2 | -17.6 | 0 | 0 | 0 | 109.4 | | |
| 817 | G | 34.1 | Very low | 31.5 | Very low | 57 Ų | 57 | 123.3 Ų | 123.3 | 59% | 0.588 | 71% | 0.706 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.5 | I373 G374 | I373-G817 CarbonylContact O-C 3.18Å; I373-G817 WeakPolarHBondContact O-CA 3.31Å; I373-G817 PolarHBondContact O-N 3.5Å; G374-G817 CarbonylContact O-C 2.34Å; G374-G817 WeakPolarHBondContact O-CA 3.32Å |
| 818 | T | 32.5 | Very low | 31.8 | Very low | 38 Ų | 38 | 124.7 Ų | 124.7 | 23% | 0.233 | 70% | 0.702 | C | S | . | * | | | | 0 | 0 | 0 | 41.4 | 0 | 0 | 0 | 0 | 110.3 | I373 G374 T375 | I373-T818 CovalentContact C-CA 1.37Å; I373-T818 CovalentContact C-CB 0.88Å; I373-T818 CovalentContact C-CG2 1.21Å; I373-T818 CarbonylContact C-O 3.49Å; I373-T818 VanDerWaalsContact CA-C 3.44Å; I373-T818 CovalentContact CA-CB 1.81Å; I373-T818 CovalentContact CA-CG2 1.49Å; I373-T818 WeakPolarHBondContact CA-OG1 3.41Å; I373-T818 CovalentContact CB-CG2 1.57Å; I373-T818 HydrophobicContact CB-CG2 1.57Å; I373-T818 HydrophobicContact CD1-CG2 4.11Å; I373-T818 HydrophobicContact CG1-CG2 3.1Å; I373-T818 HydrophobicContact CG2-CG2 1.89Å; I373-T818 VanDerWaalsContact CG2-OG1 3.28Å; I373-T818 WeakPolarHBondContact CG2-OG1 3.19Å; I373-T818 CarbonylContact O-C 3.51Å; I373-T818 WeakPolarHBondContact O-CA 3.37Å; I373-T818 WeakPolarHBondContact O-CB 3.37Å; I373-T818 WeakPolarHBondContact O-CG2 3.43Å; I373-T818 CovalentContact O-N 1.69Å; I373-T818 PolarHBondContact O-N 2.85Å; I373-T818 PolarHBondContact O-OG1 3.3Å; G374-T818 CarbonylContact C-O 3.35Å; G374-T818 WeakPolarHBondContact CA-O 3.29Å; G374-T818 CovalentContact CA-OG1 1.08Å; G374-T818 WeakPolarHBondContact CA-OG1 3.41Å; G374-T818 CovalentContact N-CA 1.54Å; G374-T818 CovalentContact N-CB 0.82Å; G374-T818 PolarHBondContact N-O 3.46Å; G374-T818 CovalentContact N-OG1 1.09Å; G374-T818 PolarHBondContact N-OG1 3.26Å; G374-T818 WeakPolarHBondContact O-CB 3.22Å; G374-T818 PolarHBondContact O-N 3.17Å; G374-T818 PolarHBondContact O-OG1 2.44Å; T375-T818 PolarHBondContact N-OG1 3.33Å; T375-T818 VanDerWaalsContact N-OG1 3.13Å |
| 819 | T | 30.2 | Very low | 31.9 | Very low | 72 Ų | 72 | 124.7 Ų | 124.7 | 44% | 0.442 | 70% | 0.702 | S | S | . | * | | | | 0 | 0 | 0 | 43.7 | 0 | 0 | 0 | 0 | 110.9 | A371 S372 I373 | A371-T819 HydrophobicContact CB-CG2 4.18Å; S372-T819 WeakPolarHBondContact CA-OG1 3.49Å; I373-T819 WeakPolarHBondContact CA-OG1 3.48Å; I373-T819 PolarHBondContact N-OG1 2.81Å |
| 820 | T | 30.9 | Very low | 31.9 | Very low | 95 Ų | 95 | 123.1 Ų | 123.1 | 58% | 0.583 | 70% | 0.699 | S | S | * | * | | | | 0 | 143.1 | 0 | 40.8 | 0 | 0 | 0 | 0 | 109.7 | A371 | A371-T820 HydrophobicContact CB-CG2 4.27Š|
| 821 | T | 29.1 | Very low | 32.1 | Very low | 89 Ų | 89 | 124.6 Ų | 124.6 | 55% | 0.546 | 70% | 0.701 | S | S | . | * | | | | 68.9 | 136.8 | 91.5 | -2.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 822 | T | 30.2 | Very low | 32.1 | Very low | 122 Ų | 122 | 123.4 Ų | 123.4 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | | | | 109.8 | 134.5 | 92.3 | 1.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 823 | T | 34.7 | Very low | 32.5 | Very low | 135 Ų | 135 | 120.9 Ų | 120.9 | 83% | 0.828 | 70% | 0.701 | S | S | * | * | | | trans | -50.9 | 0 | 173.5 | -20.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 824 | I | 28.4 | Very low | 32.5 | Very low | 157 Ų | 157 | 121.8 Ų | 121.8 | 81% | 0.805 | 70% | 0.704 | S | S | * | * | | | | 0 | 130.9 | 0 | -62.8 | 177.2 | 0 | 0 | 0 | 108.1 | | |
| 825 | T | 26.6 | Very low | 32.3 | Very low | 116 Ų | 116 | 121.4 Ų | 121.4 | 71% | 0.712 | 70% | 0.704 | S | S | * | * | | | | 71.6 | 132.5 | 90.7 | -7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 826 | I | 34.4 | Very low | 32.2 | Very low | 164 Ų | 164 | 120.3 Ų | 120.3 | 84% | 0.841 | 71% | 0.706 | S | S | * | * | | | trans | 166.9 | 108.1 | 132.3 | -56.7 | 177.6 | 0 | 0 | 0 | 107.7 | | |
| 827 | N | 28.9 | Very low | 32.1 | Very low | 156 Ų | 156 | 117.1 Ų | 117.1 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | | | | 47.3 | 0 | 111.5 | -102.6 | 13.6 | 0 | 0 | 0 | 111.7 | | |
| 828 | P | 37.7 | Very low | 32.1 | Very low | 98 Ų | 98 | 120.4 Ų | 120.4 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | | | | 0 | 146.1 | 0 | 33.9 | -4.9 | 0 | 0 | 0 | 112.1 | | |
| 829 | L | 28.4 | Very low | 32.1 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | | | | 106.1 | 0 | 86.4 | -105.7 | 116.2 | 0 | 0 | 0 | 109.9 | | |
| 830 | T | 31.8 | Very low | 31.9 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | | | | 0 | 124.8 | 0 | 44 | 0 | 0 | 0 | 0 | 108.8 | | |
| 831 | H | 33.7 | Very low | 31.6 | Very low | 183 Ų | 183 | 127.7 Ų | 127.7 | 85% | 0.847 | 74% | 0.743 | S | S | * | * | | | | 161.3 | 104.9 | 113 | -91.6 | -76.3 | 0 | 0 | 0 | 109.3 | | |
| 832 | A | 32.4 | Very low | 31.4 | Very low | 88 Ų | 88 | 130.4 Ų | 130.4 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | | 28.2 | 0 | 107.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 833 | P | 41.8 | Very low | 31.2 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | | | | 0 | 0 | 0 | 33 | -4.2 | 0 | 0 | 0 | 112 | | |
| 834 | I | 33.3 | Very low | 30.8 | Very low | 150 Ų | 150 | 125.6 Ų | 125.6 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | | | | 0 | 0 | 0 | -58.8 | 174.3 | 0 | 0 | 0 | 108 | | |
| 835 | N | 32.2 | Very low | 30.8 | Very low | 151 Ų | 151 | 124.1 Ų | 124.1 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | | | | 0 | 109.8 | 0 | -106.2 | -5.6 | 0 | 0 | 0 | 110.1 | | |
| 836 | S | 32.5 | Very low | 30.9 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 71% | 0.711 | S | S | * | * | | | | 143.7 | 109.2 | 97.5 | 57.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 837 | S | 31.4 | Very low | 30.6 | Very low | 95 Ų | 95 | 122.4 Ų | 122.4 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | | | | 78.3 | 121.3 | 80.9 | 78 | 0 | 0 | 0 | 0 | 110.3 | | |
| 838 | I | 34 | Very low | 30.7 | Very low | 126 Ų | 126 | 118.2 Ų | 118.2 | 65% | 0.646 | 70% | 0.696 | S | S | * | * | | | | 144 | 116.5 | 95.6 | -58.8 | 175.1 | 0 | 0 | 0 | 108.1 | | |
| 839 | N | 31.4 | Very low | 30.5 | Very low | 140 Ų | 140 | 117.4 Ų | 117.4 | 75% | 0.749 | 69% | 0.69 | S | S | * | * | | | | 114.3 | 124.2 | 92.8 | -84.7 | -13.6 | 0 | 0 | 0 | 110.1 | | |
| 840 | S | 25.7 | Very low | 30.7 | Very low | 94 Ų | 94 | 114.2 Ų | 114.2 | 66% | 0.657 | 68% | 0.677 | S | S | * | * | | | | 80.1 | 129.8 | 90.2 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 841 | T | 25 | Very low | 30.8 | Very low | 125 Ų | 125 | 113.9 Ų | 113.9 | 77% | 0.767 | 68% | 0.675 | S | S | * | * | | | | 80.8 | 122.9 | 116 | 19.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 842 | L | 25.7 | Very low | 30.9 | Very low | 146 Ų | 146 | 110.5 Ų | 110.5 | 76% | 0.764 | 66% | 0.663 | S | S | * | * | | | | 105.7 | 120.6 | 123.4 | -155.3 | 79.1 | 0 | 0 | 0 | 109.5 | | |
| 843 | T | 26.3 | Very low | 31 | Very low | 85 Ų | 85 | 110.1 Ų | 110.1 | 52% | 0.521 | 65% | 0.648 | S | S | . | * | | | | 105.4 | 121.1 | 113.1 | 26.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 844 | T | 25.1 | Very low | 30.7 | Very low | 71 Ų | 71 | 109.8 Ų | 109.8 | 44% | 0.436 | 64% | 0.644 | S | S | . | * | | | | 53.1 | 124.4 | 112.7 | -46.4 | 0 | 0 | 0 | 0 | 110 | | |
| 845 | I | 28.3 | Very low | 30.7 | Very low | 126 Ų | 126 | 107.9 Ų | 107.9 | 65% | 0.646 | 64% | 0.644 | S | S | * | * | | | | 126.7 | 119.7 | 115.4 | -63.8 | 176.2 | 0 | 0 | 0 | 108.1 | | |
| 846 | N | 28.5 | Very low | 31 | Very low | 113 Ų | 113 | 104.9 Ų | 104.9 | 60% | 0.604 | 64% | 0.64 | S | S | * | * | | | | 78 | 127.9 | 102.3 | -86.4 | -8 | 0 | 0 | 0 | 110.7 | | |
| 847 | T | 29.5 | Very low | 31.2 | Very low | 130 Ų | 130 | 106.9 Ų | 106.9 | 80% | 0.798 | 64% | 0.641 | S | S | * | * | | | | 137.4 | 116.6 | 108.8 | 16.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 848 | A | 30.2 | Very low | 31.3 | Very low | 68 Ų | 68 | 107.9 Ų | 107.9 | 56% | 0.562 | 64% | 0.639 | S | S | * | * | | | | 98.5 | 117.3 | 100.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 849 | T | 33.4 | Very low | 31.3 | Very low | 82 Ų | 82 | 108.9 Ų | 108.9 | 50% | 0.503 | 65% | 0.646 | S | S | . | * | | | | 92.3 | 122 | 98.7 | 17.9 | 0 | 0 | 0 | 0 | 109.9 | L281 A282 | L281-T849 VanDerWaalsContact O-CG2 3.22Å; L281-T849 WeakPolarHBondContact O-CG2 3.45Å; A282-T849 HydrophobicContact CB-CG2 3.58Å |
| 850 | T | 33.6 | Very low | 31.3 | Very low | 87 Ų | 87 | 106 Ų | 106 | 53% | 0.534 | 65% | 0.649 | S | S | . | * | | | | 105.2 | 125.6 | 93.9 | -5.6 | 0 | 0 | 0 | 0 | 109.7 | A282 | A282-T850 VanDerWaalsContact O-CG2 3.23Å; A282-T850 WeakPolarHBondContact O-CG2 3.28Å |
| 851 | T | 33.7 | Very low | 31.7 | Very low | 113 Ų | 113 | 106 Ų | 106 | 69% | 0.693 | 65% | 0.649 | S | S | * | * | | | | 118.7 | 124.9 | 95.2 | 37.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 852 | N | 34.3 | Very low | 32.1 | Very low | 112 Ų | 112 | 107.4 Ų | 107.4 | 60% | 0.599 | 65% | 0.647 | S | S | * | * | | | | 80.1 | 0 | 88.4 | -93 | -12.5 | 0 | 0 | 0 | 111 | V390 I391 | V390-N852 WeakPolarHBondContact CG1-O 3.45Å; V390-N852 WeakPolarHBondContact CG2-O 3.47Å; I391-N852 WeakPolarHBondContact CD1-O 3.24Å |
| 853 | I | 35.2 | Very low | 32.4 | Very low | 79 Ų | 79 | 106.2 Ų | 106.2 | 41% | 0.405 | 64% | 0.641 | S | S | . | * | | | | 0 | 0 | 0 | -54.4 | 175.5 | 0 | 0 | 0 | 108.9 | V390 I391 | V390-I853 WeakPolarHBondContact CA-O 3.44Å; V390-I853 VanDerWaalsContact CB-O 3.27Å; V390-I853 WeakPolarHBondContact CB-O 3.26Å; V390-I853 WeakPolarHBondContact CG1-O 3.31Å; V390-I853 VanDerWaalsContact CG2-O 3.25Å; V390-I853 WeakPolarHBondContact CG2-O 3.41Å; I391-I853 HydrophobicContact CD1-CB 4Å; I391-I853 HydrophobicContact CG1-CB 3.85Å; I391-I853 WeakPolarHBondContact CG1-O 3.21Å |
| 854 | T | 35.4 | Very low | 32.8 | Very low | 103 Ų | 103 | 110.8 Ų | 110.8 | 63% | 0.632 | 65% | 0.654 | S | S | * | * | | | | 0 | 134.5 | 0 | 26.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 855 | S | 34.1 | Very low | 33.1 | Very low | 110 Ų | 110 | 114.1 Ų | 114.1 | 77% | 0.769 | 67% | 0.669 | S | S | * | * | | | | 98.3 | 0 | 80.9 | 54.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 856 | A | 37.1 | Very low | 33.1 | Very low | 88 Ų | 88 | 114 Ų | 114 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 857 | L | 37.8 | Very low | 33.1 | Very low | 151 Ų | 151 | 114.6 Ų | 114.6 | 79% | 0.791 | 67% | 0.671 | S | S | * | * | | | | 0 | 0 | 0 | -111.7 | 122.2 | 0 | 0 | 0 | 109.3 | | |
| 858 | D | 32.7 | Very low | 33.1 | Very low | 116 Ų | 116 | 114 Ų | 114 | 62% | 0.62 | 67% | 0.67 | S | S | * | * | | | | 0 | 0 | 0 | -137.7 | 1.9 | 0 | 0 | 0 | 109.6 | | |
| 859 | N | 34.2 | Very low | 33 | Very low | 148 Ų | 148 | 117.6 Ų | 117.6 | 79% | 0.791 | 68% | 0.679 | S | S | * | * | | | | 0 | 0 | 0 | -94.9 | -3.9 | 0 | 0 | 0 | 110 | | |
| 860 | G | 31.5 | Very low | 32.6 | Very low | 78 Ų | 78 | 118.8 Ų | 118.8 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 861 | S | 33.7 | Very low | 32.3 | Very low | 94 Ų | 94 | 119.8 Ų | 119.8 | 66% | 0.657 | 69% | 0.692 | S | S | * | * | | | | 0 | 122.6 | 0 | -160.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 862 | H | 33.8 | Very low | 32 | Very low | 156 Ų | 156 | 119.4 Ų | 119.4 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | | | | 134.3 | 116.6 | 92.8 | -92.3 | -59.2 | 0 | 0 | 0 | 109.8 | | |
| 863 | N | 32.6 | Very low | 31.7 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 64% | 0.642 | 70% | 0.704 | S | S | * | * | | | | 115.2 | 114.1 | 92.4 | -108.6 | -5.3 | 0 | 0 | 0 | 110.5 | | |
| 864 | K | 33.1 | Very low | 31.3 | Very low | 182 Ų | 182 | 122.5 Ų | 122.5 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | | | | 136.3 | 98 | 85 | -89.8 | -177.9 | -176.6 | 174.5 | 0 | 109.6 | | |
| 865 | N | 31.4 | Very low | 31 | Very low | 141 Ų | 141 | 123.7 Ų | 123.7 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | | | | 11.1 | 126.9 | 110.7 | -73 | -18.9 | 0 | 0 | 0 | 112.3 | | |
| 866 | N | 29.4 | Very low | 30.7 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 66% | 0.658 | 73% | 0.729 | S | S | * | * | | | | 112.1 | 131.9 | 66.3 | -95.4 | 0.4 | 0 | 0 | 0 | 110.4 | | |
| 867 | I | 28.7 | Very low | 30.5 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 65% | 0.646 | 73% | 0.727 | S | S | * | * | | | | 145.1 | 146.5 | 80.2 | -61.1 | 171 | 0 | 0 | 0 | 108.3 | | |
| 868 | P | 29.8 | Very low | 30.1 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | | | | -167.6 | 124.3 | 95.4 | 33.6 | -5.3 | 0 | 0 | 0 | 111.4 | | |
| 869 | L | 26.5 | Very low | 29.9 | Very low | 144 Ų | 144 | 125.5 Ų | 125.5 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | | | trans | -139.4 | 126.1 | 160.3 | -86.1 | 154.1 | 0 | 0 | 0 | 109.5 | | |
| 870 | N | 26.1 | Very low | 29.8 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 57% | 0.567 | 74% | 0.742 | S | S | * | * | | | | 71.3 | 0 | 102.1 | 3.9 | -5.3 | 0 | 0 | 0 | 110.7 | | |
| 871 | S | 27.2 | Very low | 30 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | | | | 0 | 125.8 | 0 | -71.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 872 | S | 27.5 | Very low | 30 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | | 104.4 | 126.6 | 92.2 | -66.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 873 | T | 27.2 | Very low | 29.9 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | | | | 133.3 | 115.6 | 97.3 | 17.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 874 | V | 26.6 | Very low | 30 | Very low | 126 Ų | 126 | 150.8 Ų | 150.8 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | | 149.1 | 109.2 | 115.6 | 175.8 | 0 | 0 | 0 | 0 | 108 | | |
| 875 | V | 29.5 | Very low | 29.6 | Very low | 128 Ų | 128 | 149.6 Ų | 149.6 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | | 143.6 | 96.1 | 118.8 | 176.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 876 | L | 27.6 | Very low | 29.7 | Very low | 154 Ų | 154 | 151.6 Ų | 151.6 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | | | trans | -84.2 | 150.7 | 162.1 | -96.7 | 121.2 | 0 | 0 | 0 | 110.1 | | |
| 877 | P | 33.4 | Very low | 29.6 | Very low | 103 Ų | 103 | 150.1 Ų | 150.1 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | cis | -179.7 | 133 | 45.1 | 33 | -4.5 | 0 | 0 | 0 | 112 | | |
| 878 | A | 29.4 | Very low | 29.8 | Very low | 102 Ų | 102 | 152.5 Ų | 152.5 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | trans | -145 | 95.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 879 | I | 28.4 | Very low | 30 | Very low | 145 Ų | 145 | 154.8 Ų | 154.8 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | | | | -23.5 | 89.9 | 129.7 | -64.7 | 174.6 | 0 | 0 | 0 | 110 | | |
| 880 | R | 32.8 | Very low | 30.2 | Very low | 250 Ų | 250 | 151.1 Ų | 151.1 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | | | trans | -96.4 | 105.1 | 151.3 | -123.8 | -178.8 | -172.2 | 137 | -0.4 | 110.3 | | |
| 881 | R | 34.8 | Very low | 30.6 | Very low | 155 Ų | 155 | 154.3 Ų | 154.3 | 59% | 0.585 | 80% | 0.801 | S | S | * | * | | | trans | -19.7 | 116 | 132.9 | -101.2 | -172.2 | -175.9 | 155.3 | 1.3 | 111.7 | | |
| 882 | R | 33.8 | Very low | 30.8 | Very low | 250 Ų | 250 | 158.3 Ų | 158.3 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | | | trans | -124.5 | 107.8 | 135.8 | -98.8 | -165.9 | -160.5 | 175.2 | 0.7 | 109.9 | | |
| 883 | R | 31.6 | Very low | 31.4 | Very low | 227 Ų | 227 | 158.2 Ų | 158.2 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | | | | -18.9 | 107.7 | 125 | -99.2 | -170.7 | -160.1 | 177.2 | 1.2 | 111.8 | | |
| 884 | R | 34.4 | Very low | 31.6 | Very low | 245 Ų | 245 | 159.6 Ų | 159.6 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | | | trans | -147.4 | 104.9 | 137.1 | -104.3 | -171.1 | -173.3 | 171.1 | 0.8 | 109.4 | | |
| 885 | L | 26.1 | Very low | 32 | Very low | 157 Ų | 157 | 159 Ų | 159 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | | -4.2 | 108.8 | 126.3 | -74.5 | 164.3 | 0 | 0 | 0 | 111.5 | | |
| 886 | F | 32.2 | Very low | 32 | Very low | 182 Ų | 182 | 159.8 Ų | 159.8 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | | | | 169.1 | 109 | 122.3 | -97.5 | -81.2 | 0 | 0 | 0 | 108.9 | | |
| 887 | A | 28.2 | Very low | 32.1 | Very low | 92 Ų | 92 | 157.6 Ų | 157.6 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | | 5.2 | 108.2 | 125.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 888 | Q | 33.5 | Very low | 32 | Very low | 177 Ų | 177 | 158.6 Ų | 158.6 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | | 154.3 | 107.9 | 111.8 | -115.3 | 178.9 | 13.1 | 0 | 0 | 109.3 | | |
| 889 | N | 32.8 | Very low | 32.1 | Very low | 164 Ų | 164 | 162 Ų | 162 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | | 56.5 | 107.2 | 116.4 | -75.9 | -15.1 | 0 | 0 | 0 | 111.3 | | |
| 890 | G | 31.6 | Very low | 32.1 | Very low | 68 Ų | 68 | 160 Ų | 160 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | | 84.2 | 107.5 | 98.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 891 | I | 33.7 | Very low | 32.2 | Very low | 173 Ų | 173 | 152.9 Ų | 152.9 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | | | | 142.8 | 107.9 | 102.8 | -63.6 | 178.4 | 0 | 0 | 0 | 107.8 | | |
| 892 | K | 31.5 | Very low | 32 | Very low | 192 Ų | 192 | 155.2 Ų | 155.2 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | | 3.8 | 0 | 127.1 | -85.7 | -178.5 | -174.9 | -171.9 | 0 | 111.8 | | |
| 893 | P | 39.7 | Very low | 31.8 | Very low | 102 Ų | 102 | 150.4 Ų | 150.4 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | | | | 0 | 0 | 0 | 34.2 | -5.3 | 0 | 0 | 0 | 112 | | |
| 894 | I | 32.9 | Very low | 31.8 | Very low | 160 Ų | 160 | 145.2 Ų | 145.2 | 82% | 0.821 | 77% | 0.77 | S | S | * | * | | | | 0 | 113.1 | 0 | -62.4 | 174.4 | 0 | 0 | 0 | 107.9 | | |
| 895 | T | 33.3 | Very low | 31.7 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | | | | 25.2 | 124.8 | 114.6 | 27.6 | 0 | 0 | 0 | 0 | 111 | | |
| 896 | N | 30.1 | Very low | 32.1 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | | | | 116 | 122.6 | 94.1 | -91.1 | -7.6 | 0 | 0 | 0 | 110.2 | | |
| 897 | V | 30.7 | Very low | 32.1 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 65% | 0.648 | 76% | 0.756 | S | S | * | * | | | | 130.7 | 112.9 | 95.4 | 177.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 898 | I | 31.3 | Very low | 32.4 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 64% | 0.641 | 75% | 0.751 | S | S | * | * | | | | 141.2 | 107.1 | 106.4 | -62.2 | 179.5 | 0 | 0 | 0 | 108 | | |
| 899 | Q | 30.3 | Very low | 32.2 | Very low | 174 Ų | 174 | 133.2 Ų | 133.2 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | | | | 102.3 | 101.4 | 115.6 | -117.3 | 168.1 | -14.4 | 0 | 0 | 109.8 | | |
| 900 | S | 28.3 | Very low | 32.2 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | | | trans | 2.1 | 154 | 140.9 | 48.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 901 | P | 34.8 | Very low | 32.3 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | | | cis | -167.3 | 125.1 | 22.1 | 33.3 | -4.6 | 0 | 0 | 0 | 111.8 | | |
| 902 | F | 30.4 | Very low | 32.2 | Very low | 204 Ų | 204 | 136.2 Ų | 136.2 | 90% | 0.895 | 73% | 0.727 | S | S | * | * | | | trans | -178.6 | 95.4 | 144.3 | -101 | -82.3 | 0 | 0 | 0 | 108.9 | | |
| 903 | L | 30.7 | Very low | 32.6 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 78% | 0.78 | 72% | 0.718 | S | S | * | * | | | | 15 | 110.1 | 120.3 | -86.7 | 162.1 | 0 | 0 | 0 | 111.3 | | |
| 904 | N | 31 | Very low | 32.4 | Very low | 119 Ų | 119 | 134 Ų | 134 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | | | | 114.2 | 110.6 | 108.9 | -105.8 | -3.6 | 0 | 0 | 0 | 110.2 | | |
| 905 | H | 33.8 | Very low | 32.6 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 65% | 0.648 | 71% | 0.707 | S | S | * | * | | | | 94.8 | 108.7 | 110.7 | -83.6 | -67.6 | 0 | 0 | 0 | 110.3 | | |
| 906 | T | 34 | Very low | 32.6 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 67% | 0.669 | 70% | 0.696 | S | S | * | * | | | | 67.4 | 96.9 | 105.8 | 52.7 | 0 | 0 | 0 | 0 | 110.3 | S908 | T906-S908 PolarHBondContact O-N 3.16Š|
| 907 | N | 32.7 | Very low | 32.9 | Very low | 175 Ų | 175 | 126.7 Ų | 126.7 | 94% | 0.936 | 69% | 0.694 | S | S | * | * | | | trans | -36.7 | 88.5 | 144.9 | -79.5 | -22.1 | 0 | 0 | 0 | 111.8 | | |
| 908 | S | 33.9 | Very low | 33.1 | Very low | 95 Ų | 95 | 126.4 Ų | 126.4 | 66% | 0.664 | 69% | 0.692 | S | S | * | * | | | | 40.2 | 99 | 101.4 | -174.1 | 0 | 0 | 0 | 0 | 111 | T906 | T906-S908 PolarHBondContact O-N 3.16Š|
| 909 | M | 29.8 | Very low | 33.3 | Very low | 82 Ų | 82 | 128.1 Ų | 128.1 | 40% | 0.404 | 70% | 0.699 | S | S | . | * | S | Bend | | -20.5 | 0 | 110.7 | -91.5 | 166.4 | 159 | 0 | 0 | 111.5 | C7 V8 | C7-M909 HydrophobicContact CB-CE 4.46Å; C7-M909 WeakPolarHBondContact O-CE 3.27Å; V8-M909 HydrophobicContact CB-CE 3.27Å; V8-M909 HydrophobicContact CG1-CE 4.14Å; V8-M909 HydrophobicContact CG2-CE 4.5Å; V8-M909 CovalentContact O-CE 1.62Å; V8-M909 WeakPolarHBondContact O-CE 2.55Å |
| 910 | N | 32.5 | Very low | 33.6 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 65% | 0.647 | 70% | 0.698 | S | S | * | * | | | | 0 | 109.8 | 0 | -77.4 | -17.9 | 0 | 0 | 0 | 110.4 | | |
| 911 | D | 32.7 | Very low | 34 | Very low | 160 Ų | 160 | 127 Ų | 127 | 86% | 0.856 | 70% | 0.699 | S | S | * | * | | | | -164.9 | 85.5 | 118.1 | -88.1 | -21.7 | 0 | 0 | 0 | 109.3 | | |
| 912 | E | 32.9 | Very low | 34.1 | Very low | 186 Ų | 186 | 129.5 Ų | 129.5 | 87% | 0.869 | 71% | 0.713 | S | S | * | * | | | trans | -45.1 | 100.8 | 131.8 | -99.2 | 179.9 | 176.7 | 0 | 0 | 111.4 | | |
| 913 | S | 38 | Very low | 34.5 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 66% | 0.664 | 71% | 0.707 | S | S | * | * | | | | 62.5 | 0 | 99 | 63.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 914 | N | 35.9 | Very low | 34.9 | Very low | 152 Ų | 152 | 123.5 Ų | 123.5 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | | | | 0 | 0 | 0 | -75.4 | -21.3 | 0 | 0 | 0 | 111.9 | | |
| 915 | N | 37.4 | Very low | 35.2 | Very low | 82 Ų | 82 | 124.2 Ų | 124.2 | 44% | 0.439 | 71% | 0.713 | S | S | . | * | | | | 0 | 0 | 0 | -113.2 | 2.4 | 0 | 0 | 0 | 109.9 | V940 N941 | N915-V940 VanDerWaalsContact ND2-CG1 3.28Å; N915-V940 WeakPolarHBondContact ND2-CG1 3.46Å; N915-N941 WeakPolarHBondContact CB-ND2 3.37Å; N915-N941 VanDerWaalsContact CG-ND2 3.33Å; N915-N941 PolarHBondContact ND2-ND2 3.11Å |
| 916 | S | 32.5 | Very low | 35.3 | Very low | 65 Ų | 65 | 123.7 Ų | 123.7 | 46% | 0.455 | 72% | 0.719 | S | S | . | * | | | | 0 | 117.2 | 0 | 78.9 | 0 | 0 | 0 | 0 | 109.7 | M1 | M1-S916 WeakPolarHBondContact CE-OG 3.08Š|
| 917 | T | 36.5 | Very low | 35.5 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | | | | 142.1 | 114.4 | 102.5 | 14.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 918 | V | 36.2 | Very low | 35.4 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 61% | 0.612 | 73% | 0.725 | S | S | * | * | | | | 64.4 | 0 | 81.9 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 919 | M | 36 | Very low | 35.7 | Very low | 161 Ų | 161 | 125.7 Ų | 125.7 | 79% | 0.793 | 72% | 0.724 | S | S | * | * | | | | 0 | 0 | 0 | -88.4 | -97.2 | -117.9 | 0 | 0 | 109 | | |
| 920 | N | 36 | Very low | 35.8 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | | | | 0 | 0 | 0 | -109 | 1.1 | 0 | 0 | 0 | 111.9 | | |
| 921 | S | 35.9 | Very low | 35.7 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | | | | 0 | 0 | 0 | -38.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 922 | T | 38.1 | Very low | 35.7 | Very low | 151 Ų | 151 | 124.9 Ų | 124.9 | 93% | 0.926 | 74% | 0.738 | S | S | * | * | | | | 0 | 0 | 0 | -29 | 0 | 0 | 0 | 0 | 109.8 | | |
| 923 | G | 38.2 | Very low | 35.6 | Very low | 75 Ų | 75 | 123 Ų | 123 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 924 | D | 38.9 | Very low | 35.3 | Very low | 151 Ų | 151 | 123.1 Ų | 123.1 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | | | | 0 | 0 | 0 | -102.1 | -12.5 | 0 | 0 | 0 | 110.7 | | |
| 925 | D | 36.9 | Very low | 35.2 | Very low | 135 Ų | 135 | 122.8 Ų | 122.8 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | | | | 0 | 0 | 0 | -75.1 | -25.9 | 0 | 0 | 0 | 109.6 | | |
| 926 | T | 37 | Very low | 35 | Very low | 128 Ų | 128 | 125.6 Ų | 125.6 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | | 0 | 0 | 0 | 38.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 927 | N | 37.9 | Very low | 34.9 | Very low | 164 Ų | 164 | 128.1 Ų | 128.1 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | | | | 0 | 109.8 | 0 | -76.6 | -33.7 | 0 | 0 | 0 | 109.5 | | |
| 928 | N | 31 | Very low | 34.8 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | | | | 55.2 | 150.5 | 112.1 | -132.7 | 13 | 0 | 0 | 0 | 111.4 | | |
| 929 | P | 39.4 | Very low | 34.6 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | | | cis | -123.8 | 141.8 | -35.7 | 34.2 | -5.5 | 0 | 0 | 0 | 111.9 | | |
| 930 | T | 31.3 | Very low | 34.6 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | trans | 112.8 | 112.2 | 136.8 | 28.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 931 | V | 30.9 | Very low | 34.6 | Very low | 130 Ų | 130 | 121.1 Ų | 121.1 | 79% | 0.788 | 74% | 0.735 | S | S | * | * | | | | 93 | 111.4 | 117.9 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 932 | S | 32.8 | Very low | 34.5 | Very low | 94 Ų | 94 | 123.1 Ų | 123.1 | 66% | 0.657 | 74% | 0.737 | S | S | * | * | | | | 142.8 | 111.8 | 121.5 | -30.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 933 | D | 30.4 | Very low | 34.5 | Very low | 147 Ų | 147 | 121.1 Ų | 121.1 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | | | | 95.5 | 108.2 | 110 | -87 | -19.3 | 0 | 0 | 0 | 110.1 | | |
| 934 | S | 33.3 | Very low | 34.3 | Very low | 96 Ų | 96 | 124.6 Ų | 124.6 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | | | | 101.6 | 0 | 113.6 | -45.6 | 0 | 0 | 0 | 0 | 110 | | |
| 935 | L | 33.1 | Very low | 34.3 | Very low | 145 Ų | 145 | 123.9 Ų | 123.9 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | | | | 0 | 0 | 0 | -86.7 | 158.9 | 0 | 0 | 0 | 110 | | |
| 936 | L | 33.3 | Very low | 34.3 | Very low | 142 Ų | 142 | 123.8 Ų | 123.8 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | | | | 0 | 117.3 | 0 | -110.3 | 132.2 | 0 | 0 | 0 | 110 | | |
| 937 | C | 30 | Very low | 34.2 | Very low | 117 Ų | 117 | 124 Ų | 124 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | | | | 78.8 | 0 | 94.8 | -79 | 0 | 0 | 0 | 0 | 110 | | |
| 938 | A | 33.3 | Very low | 34.2 | Very low | 93 Ų | 93 | 122.7 Ų | 122.7 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 939 | N | 32.2 | Very low | 34.4 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 63% | 0.631 | 71% | 0.71 | S | S | * | * | | | | 0 | 0 | 0 | -127.2 | 1 | 0 | 0 | 0 | 110 | | |
| 940 | V | 37.4 | Very low | 34.1 | Very low | 66 Ų | 66 | 123.4 Ų | 123.4 | 40% | 0.4 | 71% | 0.714 | S | S | . | * | | | | 0 | 0 | 0 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | N915 | N915-V940 VanDerWaalsContact ND2-CG1 3.28Å; N915-V940 WeakPolarHBondContact ND2-CG1 3.46Å |
| 941 | N | 35.3 | Very low | 34.3 | Very low | 104 Ų | 104 | 125 Ų | 125 | 56% | 0.556 | 72% | 0.718 | S | S | * | * | | | | 0 | 131 | 0 | -81 | -16 | 0 | 0 | 0 | 110.6 | N915 | N915-N941 WeakPolarHBondContact CB-ND2 3.37Å; N915-N941 VanDerWaalsContact CG-ND2 3.33Å; N915-N941 PolarHBondContact ND2-ND2 3.11Å |
| 942 | N | 34 | Very low | 34.6 | Very low | 149 Ų | 149 | 124.9 Ų | 124.9 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | | | | 121.5 | 120.4 | 99.6 | -117.1 | -3.8 | 0 | 0 | 0 | 110.2 | | |
| 943 | S | 36.9 | Very low | 34.8 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | | | | 154.8 | 111.5 | 108.4 | -78.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 944 | N | 35.5 | Very low | 35.1 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | | | | 5.3 | 112.6 | 121.7 | -97.8 | 3.2 | 0 | 0 | 0 | 112.2 | | |
| 945 | D | 37.6 | Very low | 35.5 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | | | trans | 169.5 | 107.7 | 130.1 | -82.4 | -25.1 | 0 | 0 | 0 | 109.1 | | |
| 946 | N | 37.3 | Very low | 35.7 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | | | | 72.3 | 93.8 | 108.2 | -89.6 | -14.3 | 0 | 0 | 0 | 111.1 | | |
| 947 | D | 36 | Very low | 35.8 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | | | | 139.1 | 100.8 | 117.3 | -82.1 | -24.1 | 0 | 0 | 0 | 109.3 | | |
| 948 | D | 37.1 | Very low | 36.1 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | | | | 81.1 | 102.8 | 112.2 | -76.6 | -24.6 | 0 | 0 | 0 | 110.4 | | |
| 949 | N | 35.1 | Very low | 36.3 | Very low | 137 Ų | 137 | 126.4 Ų | 126.4 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | | | | 96.4 | 0 | 100.2 | -89.9 | -11 | 0 | 0 | 0 | 110.6 | | |
| 950 | N | 33.3 | Very low | 36.4 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | | | | 0 | 112.3 | 0 | -92.4 | -11.3 | 0 | 0 | 0 | 109.9 | | |
| 951 | N | 36.1 | Very low | 36.1 | Very low | 156 Ų | 156 | 128.6 Ų | 128.6 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | | | | -160.6 | 103.7 | 122.9 | -94.2 | -4.7 | 0 | 0 | 0 | 110 | | |
| 952 | D | 36.9 | Very low | 35.8 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | | | | 46.6 | 0 | 89.5 | -82.7 | -19.5 | 0 | 0 | 0 | 111.3 | | |
| 953 | N | 35.9 | Very low | 35.7 | Very low | 172 Ų | 172 | 130.3 Ų | 130.3 | 92% | 0.92 | 74% | 0.742 | S | S | * | * | | | | 0 | 98.4 | 0 | -84.8 | -4 | 0 | 0 | 0 | 110 | | |
| 954 | S | 37.1 | Very low | 35.4 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | S | Bend | | 166.2 | 105.4 | 106.2 | 119.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 955 | V | 42.1 | Very low | 35.2 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 66% | 0.661 | 74% | 0.741 | S | S | * | * | | | | 123.5 | 97.5 | 87.7 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 956 | D | 36.6 | Very low | 34.8 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | | | | 89.2 | 106.7 | 111.1 | -81.6 | -30.5 | 0 | 0 | 0 | 110.2 | | |
| 957 | N | 37 | Very low | 34.4 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | | | | 110.2 | 109.4 | 104.8 | -81.7 | -26.3 | 0 | 0 | 0 | 110.4 | | |
| 958 | D | 35.2 | Very low | 34.1 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | | | | 107.4 | 114.8 | 104.3 | -80.4 | -25.8 | 0 | 0 | 0 | 109.9 | | |
| 959 | A | 36.9 | Very low | 33.6 | Very low | 85 Ų | 85 | 134.4 Ų | 134.4 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | | | | 100 | 111.3 | 107.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 960 | N | 34.7 | Very low | 33.2 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | | | | 108.5 | 121 | 109.3 | -93.7 | -7.2 | 0 | 0 | 0 | 110.5 | | |
| 961 | G | 32.4 | Very low | 33.1 | Very low | 63 Ų | 63 | 133.7 Ų | 133.7 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | | | | 80.6 | 114.3 | 102.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 962 | I | 29 | Very low | 32.8 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | | | | 75.6 | 121.9 | 113.8 | -57.1 | -176.3 | 0 | 0 | 0 | 109.3 | | |
| 963 | N | 31.8 | Very low | 32.6 | Very low | 140 Ų | 140 | 130 Ų | 130 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | | | | 148.4 | 120.3 | 114 | -95.5 | -8 | 0 | 0 | 0 | 110 | | |
| 964 | N | 29.1 | Very low | 32.6 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | | | | 41.7 | 0 | 99.7 | -95.6 | -2.1 | 0 | 0 | 0 | 111.9 | | |
| 965 | S | 31.3 | Very low | 32.4 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | | | | 0 | 117.3 | 0 | -59.2 | 0 | 0 | 0 | 0 | 110 | | |
| 966 | N | 29.1 | Very low | 31.9 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 86% | 0.856 | 74% | 0.741 | S | S | * | * | | | | 16.2 | 108.7 | 114.4 | -95.3 | -5.5 | 0 | 0 | 0 | 112.1 | | |
| 967 | R | 30.3 | Very low | 31.7 | Very low | 228 Ų | 228 | 131.5 Ų | 131.5 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | | | | 112.2 | 114 | 124.6 | -106.2 | -167 | -173.8 | 153.6 | -0.2 | 109.5 | | |
| 968 | D | 29 | Very low | 31.5 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | | | | 66.8 | 112.2 | 101.1 | -79 | -24.4 | 0 | 0 | 0 | 110.5 | | |
| 969 | S | 27.7 | Very low | 31.3 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | | 121.6 | 113.6 | 105.6 | -106.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 970 | L | 26.1 | Very low | 31 | Very low | 145 Ų | 145 | 134.2 Ų | 134.2 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | | | | 125 | 119.2 | 109.5 | -148 | 80.7 | 0 | 0 | 0 | 109.3 | | |
| 971 | T | 31.7 | Very low | 30.7 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | | | | 155.9 | 118.6 | 106.8 | 43.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 972 | T | 29.1 | Very low | 30.6 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | | 103 | 116.7 | 93.7 | -49.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 973 | C | 32.4 | Very low | 30.6 | Very low | 93 Ų | 93 | 134 Ų | 134 | 63% | 0.628 | 72% | 0.72 | S | S | * | * | | | | 157.7 | 113.6 | 101 | -69.1 | 0 | 0 | 0 | 0 | 109 | | |
| 974 | D | 35.9 | Very low | 30.5 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | | | | 146.2 | 112.9 | 94.8 | -87.2 | -32.8 | 0 | 0 | 0 | 109.5 | | |
| 975 | N | 33.5 | Very low | 30.5 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | | | | 95.3 | 114.5 | 98.3 | -85.1 | -15.5 | 0 | 0 | 0 | 110.6 | | |
| 976 | E | 31.5 | Very low | 30.9 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | | | | 126.8 | 116 | 101.3 | -85.7 | -128.7 | 145.7 | 0 | 0 | 109.7 | | |
| 977 | L | 31.6 | Very low | 30.9 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 59% | 0.586 | 72% | 0.716 | S | S | * | * | | | | 110.6 | 113.7 | 106.2 | -113 | 129.6 | 0 | 0 | 0 | 109.8 | | |
| 978 | K | 33.3 | Very low | 31 | Very low | 164 Ų | 164 | 131 Ų | 131 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | | | | 94.1 | 118 | 112.4 | -102.8 | 176.7 | 176.8 | -174.9 | 0 | 110.2 | | |
| 979 | Q | 32 | Very low | 31.1 | Very low | 160 Ų | 160 | 131 Ų | 131 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | | | | 104.7 | 120.2 | 110.4 | -92.9 | -177.1 | 18.9 | 0 | 0 | 109.9 | | |
| 980 | S | 29.6 | Very low | 31.3 | Very low | 86 Ų | 86 | 132.5 Ų | 132.5 | 60% | 0.601 | 72% | 0.717 | S | S | * | * | | | | 99.2 | 123.2 | 101.3 | -26.6 | 0 | 0 | 0 | 0 | 110 | | |
| 981 | D | 27.5 | Very low | 32 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | | | | 80.2 | 125.6 | 107.8 | -83.4 | -20.9 | 0 | 0 | 0 | 110.2 | | |
| 982 | T | 30.5 | Very low | 31.9 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 61% | 0.613 | 72% | 0.717 | S | S | * | * | | | | 118.4 | 118 | 112.4 | -51.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 983 | I | 29.8 | Very low | 32 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | | | | 106.3 | 117.3 | 102.6 | -63.7 | -176.8 | 0 | 0 | 0 | 108.5 | | |
| 984 | Q | 30.4 | Very low | 32 | Very low | 175 Ų | 175 | 136 Ų | 136 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | | | | 104 | 108.7 | 109.8 | -99.8 | -176.5 | -0.4 | 0 | 0 | 109.8 | | |
| 985 | S | 27.9 | Very low | 31.7 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | | | | 17.2 | 0 | 124.8 | 32.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 986 | P | 40.1 | Very low | 31.6 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 71% | 0.714 | 74% | 0.74 | S | S | * | * | | | | 0 | 0 | 0 | 33.8 | -4.9 | 0 | 0 | 0 | 112.1 | | |
| 987 | D | 29.6 | Very low | 31.6 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | | | | 0 | 119.6 | 0 | -91.4 | -19.9 | 0 | 0 | 0 | 109.4 | | |
| 988 | K | 31.7 | Very low | 31.6 | Very low | 183 Ų | 183 | 131.4 Ų | 131.4 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | | | | 103.7 | 119.4 | 100 | -145.3 | 166.6 | -161.4 | -122.9 | 0 | 109.8 | | |
| 989 | L | 30.6 | Very low | 31.4 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 72% | 0.723 | 76% | 0.759 | S | S | * | * | | | | 94.9 | 0 | 84 | -80.8 | 160.2 | 0 | 0 | 0 | 109.8 | | |
| 990 | T | 33.2 | Very low | 31.4 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | | | | 0 | 0 | 0 | 36 | 0 | 0 | 0 | 0 | 109 | | |
| 991 | P | 40.2 | Very low | 31.8 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | | 0 | 0 | 0 | 33.6 | -4.7 | 0 | 0 | 0 | 111.9 | | |
| 992 | S | 29.6 | Very low | 31.9 | Very low | 106 Ų | 106 | 128 Ų | 128 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | | 0 | 0 | 0 | 46.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 993 | T | 32.2 | Very low | 31.7 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | | | | 0 | 0 | 0 | 44.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 994 | K | 30.8 | Very low | 31.6 | Very low | 202 Ų | 202 | 137.9 Ų | 137.9 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | | | | 0 | 114.8 | 0 | -85.9 | -175 | -176.4 | 179.3 | 0 | 109.8 | | |
| 995 | S | 31.1 | Very low | 31.5 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | | 49.8 | 0 | 87.2 | 77.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 996 | S | 31.3 | Very low | 31.5 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | | 0 | 0 | 0 | 37.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 997 | A | 31 | Very low | 31.2 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 998 | S | 31.2 | Very low | 31.1 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | | 0 | 0 | 0 | 149.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 999 | T | 29.9 | Very low | 31.2 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | | 0 | 112.4 | 0 | -46.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1000 | I | 30.5 | Very low | 31.1 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | | 28.8 | 0 | 118.8 | -59.8 | -175.1 | 0 | 0 | 0 | 110.2 | | |
| 1001 | P | 38.7 | Very low | 30.7 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | | | | 0 | 0 | 0 | 34.1 | -5.7 | 0 | 0 | 0 | 112.1 | | |
| 1002 | T | 29.4 | Very low | 30.3 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 64% | 0.644 | 77% | 0.768 | S | S | * | * | | | | 0 | 0 | 0 | 4.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1003 | F | 27.4 | Very low | 30.2 | Very low | 180 Ų | 180 | 136.1 Ų | 136.1 | 79% | 0.789 | 77% | 0.767 | S | S | * | * | | | | 0 | 0 | 0 | -99 | -81.4 | 0 | 0 | 0 | 109.2 | | |
| 1004 | R | 27.5 | Very low | 29.9 | Very low | 251 Ų | 251 | 136.3 Ų | 136.3 | 95% | 0.947 | 76% | 0.764 | S | S | * | * | | | | 0 | 0 | 0 | -133.3 | -177.2 | -176 | 173.2 | -1.1 | 109.3 | | |
| 1005 | S | 27.9 | Very low | 29.8 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | | | | 0 | 0 | 0 | -72.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1006 | N | 28.2 | Very low | 29.6 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | | | | 0 | 0 | 0 | -78.7 | -13.2 | 0 | 0 | 0 | 109.6 | | |
| 1007 | T | 34 | Very low | 29.7 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 90% | 0.896 | 74% | 0.741 | S | S | * | * | | | | 0 | 111 | 0 | -22.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1008 | L | 26.9 | Very low | 29.6 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | | | | -1.4 | 0 | 122.5 | -146.1 | 77.5 | 0 | 0 | 0 | 111.8 | | |
| 1009 | P | 34.1 | Very low | 29.3 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 62% | 0.617 | 70% | 0.699 | S | S | * | * | | | | 0 | 149.4 | 0 | 34.9 | -5.9 | 0 | 0 | 0 | 112.9 | | |
| 1010 | Q | 28.6 | Very low | 29.3 | Very low | 179 Ų | 179 | 126 Ų | 126 | 84% | 0.836 | 67% | 0.672 | S | S | * | * | | | | 109.4 | 118.6 | 105.6 | -97.8 | -168.6 | 1.9 | 0 | 0 | 109.7 | | |
| 1011 | S | 25 | Very low | 29.4 | Very low | 99 Ų | 99 | 121.9 Ų | 121.9 | 69% | 0.692 | 65% | 0.651 | S | S | * | * | | | | 52.5 | 131.3 | 91 | 124.2 | 0 | 0 | 0 | 0 | 111 | | |
| 1012 | V | 31.2 | Very low | 29 | Very low | 99 Ų | 99 | 120.8 Ų | 120.8 | 60% | 0.6 | 65% | 0.646 | S | S | * | * | | | | 141.5 | 122.1 | 114.9 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1013 | E | 27.3 | Very low | 29.1 | Very low | 154 Ų | 154 | 119.9 Ų | 119.9 | 72% | 0.72 | 64% | 0.64 | S | S | * | * | | | | 94.7 | 117.4 | 95.8 | -81.9 | -165.1 | 173 | 0 | 0 | 110.2 | | |
| 1014 | D | 26.6 | Very low | 29.5 | Very low | 126 Ų | 126 | 115 Ų | 115 | 67% | 0.674 | 62% | 0.622 | S | S | * | * | | | | 109.8 | 119.8 | 106 | -89.7 | -15.4 | 0 | 0 | 0 | 109.9 | | |
| 1015 | V | 27.8 | Very low | 29.7 | Very low | 94 Ų | 94 | 110 Ų | 110 | 57% | 0.57 | 61% | 0.613 | S | S | * | * | | | | 97.1 | 112.5 | 81.2 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1016 | Q | 27 | Very low | 29.8 | Very low | 163 Ų | 163 | 111.6 Ų | 111.6 | 76% | 0.762 | 61% | 0.61 | S | S | * | * | | | | 119.3 | 112 | 103.2 | -141.6 | 156.4 | -16.2 | 0 | 0 | 109.7 | | |
| 1017 | L | 32.6 | Very low | 29.7 | Very low | 136 Ų | 136 | 112.6 Ų | 112.6 | 71% | 0.712 | 61% | 0.608 | S | S | * | * | | | | 141.8 | 109.6 | 110.7 | -155.5 | 79.7 | 0 | 0 | 0 | 109.1 | | |
| 1018 | C | 29 | Very low | 29.4 | Very low | 74 Ų | 74 | 110.5 Ų | 110.5 | 50% | 0.5 | 60% | 0.595 | S | S | . | * | | | | 89.3 | 117 | 99.1 | -94.9 | 0 | 0 | 0 | 0 | 109.5 | S366 I367 | S366-C1018 CarbonylContact O-C 1.84Å; S366-C1018 WeakPolarHBondContact O-CA 3.48Å; I367-C1018 CarbonylContact O-C 2.19Å |
| 1019 | N | 26.7 | Very low | 29.4 | Very low | 43 Ų | 43 | 108.2 Ų | 108.2 | 23% | 0.23 | 59% | 0.592 | C | S | . | * | | | | 80.7 | 119.3 | 85.5 | -91.2 | -7.6 | 0 | 0 | 0 | 111.6 | S366 I367 T368 | S366-N1019 CovalentContact C-OD1 0.82Å; S366-N1019 WeakPolarHBondContact CA-ND2 2.99Å; S366-N1019 WeakPolarHBondContact CA-OD1 3.33Å; S366-N1019 WeakPolarHBondContact CB-ND2 1.85Å; S366-N1019 WeakPolarHBondContact CB-OD1 3.35Å; S366-N1019 PolarHBondContact N-OD1 2.94Å; S366-N1019 CarbonylContact O-C 2.82Å; S366-N1019 WeakPolarHBondContact O-CA 3.36Å; S366-N1019 WeakPolarHBondContact O-CB 3.31Å; S366-N1019 CovalentContact O-CG 1.7Å; S366-N1019 PolarHBondContact O-N 3.46Å; S366-N1019 PolarHBondContact O-ND2 3.44Å; S366-N1019 PolarHBondContact O-OD1 3.18Å; S366-N1019 PolarHBondContact OG-OD1 3.5Å; I367-N1019 CovalentContact C-C 1.54Å; I367-N1019 CarbonylContact C-O 3.59Å; I367-N1019 WeakPolarHBondContact CA-OD1 3.39Å; I367-N1019 HydrophobicContact CB-CB 3.02Å; I367-N1019 WeakPolarHBondContact CB-ND2 3.04Å; I367-N1019 WeakPolarHBondContact CB-OD1 3.43Å; I367-N1019 HydrophobicContact CG1-CB 4.13Å; I367-N1019 HydrophobicContact CG2-CB 4.14Å; I367-N1019 PolarHBondContact N-OD1 3.47Å; I367-N1019 CarbonylContact O-C 3.49Å; I367-N1019 WeakPolarHBondContact O-CA 3.43Å; I367-N1019 CovalentContact O-CB 1.39Å; I367-N1019 WeakPolarHBondContact O-CB 1.76Å; I367-N1019 PolarHBondContact O-N 3.37Å; T368-N1019 CarbonylContact C-O 3.06Å; T368-N1019 WeakPolarHBondContact CA-O 3.18Å; T368-N1019 WeakPolarHBondContact CB-O 3.26Å; T368-N1019 PolarHBondContact N-O 2.79Å; T368-N1019 VanDerWaalsContact OG1-C 3.28Å; T368-N1019 PolarHBondContact OG1-O 3.21Å |
| 1020 | Q | 28.6 | Very low | 29 | Very low | 58 Ų | 58 | 112.5 Ų | 112.5 | 27% | 0.271 | 60% | 0.601 | S | S | . | * | | | | 123.4 | 115.3 | 114.7 | -155 | 88.9 | 36.1 | 0 | 0 | 110.3 | I367 T368 K369 | I367-Q1020 VanDerWaalsContact C-C 3.42Å; I367-Q1020 HydrophobicContact CB-CB 2.86Å; I367-Q1020 CovalentContact CB-CD 1.52Å; I367-Q1020 HydrophobicContact CB-CG 2.67Å; I367-Q1020 CovalentContact CB-OE1 1.05Å; I367-Q1020 HydrophobicContact CG1-CB 4.18Å; I367-Q1020 HydrophobicContact CG1-CG 3.77Å; I367-Q1020 VanDerWaalsContact CG2-CA 3.41Å; I367-Q1020 HydrophobicContact CG2-CB 2.53Å; I367-Q1020 HydrophobicContact CG2-CG 1.54Å; I367-Q1020 CovalentContact CG2-OE1 1.22Å; I367-Q1020 VanDerWaalsContact O-CA 3.23Å; I367-Q1020 WeakPolarHBondContact O-CA 2.28Å; I367-Q1020 WeakPolarHBondContact O-CB 3.34Å; I367-Q1020 PolarHBondContact O-N 2.66Å; I367-Q1020 PolarHBondContact O-OE1 3.46Å; I367-Q1020 VanDerWaalsContact O-OE1 3.07Å; T368-Q1020 CarbonylContact C-O 3.5Å; T368-Q1020 CovalentContact CA-CB 1.46Å; T368-Q1020 VanDerWaalsContact CA-N 3.3Å; T368-Q1020 WeakPolarHBondContact CA-O 3Å; T368-Q1020 HydrophobicContact CG2-CB 2.84Å; T368-Q1020 HydrophobicContact CG2-CG 2.72Å; T368-Q1020 VanDerWaalsContact CG2-OE1 3.26Å; T368-Q1020 CovalentContact N-CA 1.5Å; T368-Q1020 CovalentContact N-CB 1Å; T368-Q1020 PolarHBondContact N-O 2.89Å; T368-Q1020 CarbonylContact O-C 3.54Å; T368-Q1020 WeakPolarHBondContact OG1-CB 3.48Å; K369-Q1020 PolarHBondContact N-O 3.04Å |
| 1021 | I | 33.3 | Very low | 28.8 | Very low | 62 Ų | 62 | 110.9 Ų | 110.9 | 32% | 0.318 | 60% | 0.597 | S | S | . | * | | | | 175.4 | 0 | 101.5 | -68.2 | 171.1 | 0 | 0 | 0 | 108.5 | T368 K369 T1023 | T368-I1021 WeakPolarHBondContact O-CD1 3.43Å; T368-I1021 WeakPolarHBondContact O-CG1 3.25Å; K369-I1021 VanDerWaalsContact C-CG1 3.43Å; K369-I1021 CovalentContact CA-CD1 0.48Å; K369-I1021 VanDerWaalsContact CA-CG2 3.48Å; K369-I1021 HydrophobicContact CB-CB 3.05Å; K369-I1021 CovalentContact CB-CD1 1.42Å; K369-I1021 HydrophobicContact CB-CD1 1.42Å; K369-I1021 HydrophobicContact CB-CG1 2.29Å; K369-I1021 HydrophobicContact CB-CG2 2.9Å; K369-I1021 HydrophobicContact CD-CB 3.77Å; K369-I1021 HydrophobicContact CD-CD1 3.71Å; K369-I1021 HydrophobicContact CD-CG1 3.89Å; K369-I1021 HydrophobicContact CD-CG2 2.51Å; K369-I1021 HydrophobicContact CG-CB 2.7Å; K369-I1021 HydrophobicContact CG-CD1 2.39Å; K369-I1021 HydrophobicContact CG-CG1 2.81Å; K369-I1021 CovalentContact CG-CG2 1.88Å; K369-I1021 HydrophobicContact CG-CG2 1.88Å; K369-I1021 CovalentContact N-CD1 1.26Å; K369-I1021 CovalentContact N-CG1 1.41Å; K369-I1021 WeakPolarHBondContact O-CD1 3.45Å; I1021-T1023 HydrophobicContact CG2-CG2 4.43Å |
| 1022 | S | 29.1 | Very low | 28.8 | Very low | 76 Ų | 76 | 111.4 Ų | 111.4 | 53% | 0.531 | 60% | 0.601 | S | S | . | * | | | | 0 | 0 | 0 | -141.3 | 0 | 0 | 0 | 0 | 111.3 | K369 | K369-S1022 WeakPolarHBondContact CE-O 3.48Å; K369-S1022 PolarHBondContact NZ-O 2.7Å |
| 1023 | T | 32.3 | Very low | 28.6 | Very low | 87 Ų | 87 | 116.8 Ų | 116.8 | 53% | 0.534 | 62% | 0.616 | S | S | . | * | | | | 0 | 0 | 0 | 48.7 | 0 | 0 | 0 | 0 | 109.3 | K369 I1021 | K369-T1023 HydrophobicContact CD-CG2 3.71Å; K369-T1023 CovalentContact NZ-CG2 1.48Å; K369-T1023 PolarHBondContact NZ-OG1 2.31Å; I1021-T1023 HydrophobicContact CG2-CG2 4.43Å |
| 1024 | D | 34.9 | Very low | 28.6 | Very low | 77 Ų | 77 | 118.5 Ų | 118.5 | 41% | 0.412 | 62% | 0.624 | S | S | . | * | | | | 0 | 124 | 0 | -91 | -13.7 | 0 | 0 | 0 | 109.8 | | |
| 1025 | I | 31.9 | Very low | 28.6 | Very low | 146 Ų | 146 | 118.9 Ų | 118.9 | 75% | 0.749 | 63% | 0.625 | S | S | * | * | | | | 176.8 | 0 | 70.6 | -66.2 | 175.2 | 0 | 0 | 0 | 108 | | |
| 1026 | E | 29.9 | Very low | 28.6 | Very low | 124 Ų | 124 | 121.8 Ų | 121.8 | 58% | 0.579 | 63% | 0.632 | S | S | * | * | | | | 0 | 130.3 | 0 | -125.4 | 176.6 | -178.6 | 0 | 0 | 110.6 | | |
| 1027 | F | 27.4 | Very low | 28.6 | Very low | 171 Ų | 171 | 121.6 Ų | 121.6 | 75% | 0.75 | 63% | 0.631 | S | S | * | * | | | | 99.2 | 126.3 | 78.7 | -120.9 | -93.5 | 0 | 0 | 0 | 109.7 | | |
| 1028 | T | 28.3 | Very low | 28.5 | Very low | 102 Ų | 102 | 123.4 Ų | 123.4 | 63% | 0.626 | 63% | 0.634 | S | S | * | * | | | | 45.6 | 134.6 | 94.7 | 38.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1029 | S | 25 | Very low | 28.5 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 75% | 0.748 | 64% | 0.644 | S | S | * | * | | | | 137 | 129 | 99.3 | 81.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1030 | K | 25.8 | Very low | 28.6 | Very low | 186 Ų | 186 | 128.9 Ų | 128.9 | 81% | 0.809 | 67% | 0.665 | S | S | * | * | | | | 63.8 | 117.5 | 95 | -114 | 175.9 | -178.3 | -174.9 | 0 | 110.9 | | |
| 1031 | L | 24.6 | Very low | 28.8 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | | | | 135.8 | 116.6 | 105.1 | -143.8 | 100.8 | 0 | 0 | 0 | 109.3 | | |
| 1032 | S | 24.5 | Very low | 28.5 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | | | | 80.8 | 116.9 | 103.2 | -109.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1033 | K | 27.5 | Very low | 28.5 | Very low | 212 Ų | 212 | 140.2 Ų | 140.2 | 92% | 0.922 | 71% | 0.71 | S | S | * | * | | | | 1.5 | 109.9 | 128.4 | -96.5 | -178 | -174 | -179.6 | 0 | 111.8 | | |
| 1034 | E | 27.3 | Very low | 28.4 | Very low | 190 Ų | 190 | 141.3 Ų | 141.3 | 89% | 0.888 | 71% | 0.713 | S | S | * | * | | | trans | -158.3 | 105.7 | 137.2 | -129.5 | -176.7 | 173.5 | 0 | 0 | 109.5 | | |
| 1035 | I | 27 | Very low | 28.3 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | | | | -1.4 | 0 | 119.2 | -65.5 | 174.2 | 0 | 0 | 0 | 110.4 | | |
| 1036 | Q | 26.9 | Very low | 28.3 | Very low | 156 Ų | 156 | 141.9 Ų | 141.9 | 73% | 0.729 | 72% | 0.716 | S | S | * | * | | | | 0 | 0 | 0 | -104.8 | 177 | 30.1 | 0 | 0 | 109.6 | | |
| 1037 | Q | 28.3 | Very low | 28.3 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | | | | 0 | 0 | 0 | -136.5 | 170.3 | 12 | 0 | 0 | 109.6 | | |
| 1038 | K | 29.1 | Very low | 28.7 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 76% | 0.757 | 73% | 0.73 | S | S | * | * | | | | 0 | 109.2 | 0 | -143.8 | 177.4 | 177.6 | 165.7 | 0 | 109.6 | | |
| 1039 | D | 30.2 | Very low | 28.5 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | | 174 | 0 | 111.7 | -86.5 | -17.1 | 0 | 0 | 0 | 109.3 | | |
| 1040 | S | 29.2 | Very low | 29.1 | Very low | 98 Ų | 98 | 146.4 Ų | 146.4 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | | | | 0 | 110.4 | 0 | -59.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1041 | V | 31.5 | Very low | 29.3 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | | | | 114.3 | 109.9 | 102.1 | -179 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1042 | E | 27.8 | Very low | 29.6 | Very low | 144 Ų | 144 | 140 Ų | 140 | 67% | 0.673 | 73% | 0.73 | S | S | * | * | | | | 96.2 | 119.4 | 98.6 | -159.3 | 169.4 | -177.7 | 0 | 0 | 110.2 | | |
| 1043 | Y | 29.6 | Very low | 29.9 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 69% | 0.686 | 73% | 0.728 | S | S | * | * | | | | 105.1 | 0 | 101.4 | -111.6 | -86.4 | 0 | 0 | 0 | 109.8 | | |
| 1044 | D | 30.3 | Very low | 30 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 59% | 0.588 | 72% | 0.718 | S | S | * | * | | | | 0 | 121.5 | 0 | -89.3 | -23.8 | 0 | 0 | 0 | 109.7 | | |
| 1045 | D | 32 | Very low | 30.2 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 67% | 0.674 | 71% | 0.71 | S | S | * | * | | | | 109.4 | 0 | 98.6 | -119.5 | -6 | 0 | 0 | 0 | 109.9 | | |
| 1046 | I | 31.9 | Very low | 30.3 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 56% | 0.559 | 71% | 0.712 | S | S | * | * | | | | 0 | 119.5 | 0 | -61.5 | 177.5 | 0 | 0 | 0 | 108.4 | | |
| 1047 | T | 29.7 | Very low | 30.4 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 71% | 0.712 | 71% | 0.713 | S | S | * | * | | | | 112.1 | 0 | 94.1 | 36.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1048 | K | 35.7 | Very low | 30.2 | Very low | 208 Ų | 208 | 124.9 Ų | 124.9 | 90% | 0.904 | 72% | 0.717 | S | S | * | * | | | | 0 | 101.8 | 0 | -111.3 | -178.7 | -171.1 | -154 | 0 | 109.4 | | |
| 1049 | L | 24.7 | Very low | 30.1 | Very low | 168 Ų | 168 | 121.5 Ų | 121.5 | 88% | 0.88 | 72% | 0.715 | S | S | * | * | | | | 8.1 | 0 | 121.6 | -85.7 | 152.1 | 0 | 0 | 0 | 111.5 | | |
| 1050 | P | 36.6 | Very low | 29.9 | Very low | 107 Ų | 107 | 119.7 Ų | 119.7 | 70% | 0.695 | 71% | 0.709 | S | S | * | * | | | | 0 | 146.6 | 0 | 34.6 | -6.2 | 0 | 0 | 0 | 112 | | |
| 1051 | S | 30.3 | Very low | 29.8 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | | | | 98.8 | 112.9 | 97.4 | 49.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1052 | S | 31 | Very low | 29.7 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | | | | 119.3 | 112.4 | 97.1 | 57.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1053 | S | 31.8 | Very low | 29.6 | Very low | 103 Ų | 103 | 122.8 Ų | 122.8 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | | | | 131.2 | 114.4 | 93.8 | 52.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1054 | S | 30.2 | Very low | 29.6 | Very low | 102 Ų | 102 | 119.9 Ų | 119.9 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | | | | 102.9 | 120 | 81.4 | 58.2 | 0 | 0 | 0 | 0 | 110 | | |
| 1055 | S | 29.9 | Very low | 29.5 | Very low | 105 Ų | 105 | 120 Ų | 120 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | | | | 107.4 | 0 | 85.4 | 62.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1056 | S | 29.9 | Very low | 29.2 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | | | | 0 | 0 | 0 | 99.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1057 | S | 28.2 | Very low | 29 | Very low | 107 Ų | 107 | 122.1 Ų | 122.1 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | | 0 | 128.3 | 0 | -51.4 | 0 | 0 | 0 | 0 | 110 | | |
| 1058 | C | 24.9 | Very low | 28.8 | Very low | 123 Ų | 123 | 122 Ų | 122 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | | | | 129.5 | 126.6 | 93.3 | -97.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1059 | S | 26.9 | Very low | 28.4 | Very low | 103 Ų | 103 | 117 Ų | 117 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | | | | 123.4 | 122.2 | 88.7 | 69.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1060 | T | 26.3 | Very low | 28.6 | Very low | 95 Ų | 95 | 113.4 Ų | 113.4 | 58% | 0.583 | 72% | 0.717 | S | S | * | * | | | | 101.8 | 119.7 | 99.8 | -36.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1061 | F | 26.1 | Very low | 28.2 | Very low | 174 Ų | 174 | 113.6 Ų | 113.6 | 76% | 0.763 | 71% | 0.711 | S | S | * | * | | | | 131 | 113.6 | 102.6 | -100 | -82.7 | 0 | 0 | 0 | 109.1 | | |
| 1062 | I | 30.7 | Very low | 28.1 | Very low | 140 Ų | 140 | 115.9 Ų | 115.9 | 72% | 0.718 | 72% | 0.721 | S | S | * | * | | | | 118.5 | 111.6 | 110.2 | -61.6 | -176.2 | 0 | 0 | 0 | 108.2 | | |
| 1063 | S | 24.6 | Very low | 28.1 | Very low | 109 Ų | 109 | 114.9 Ų | 114.9 | 76% | 0.762 | 71% | 0.711 | S | S | * | * | | | | 42.3 | 113 | 117.4 | -90.8 | 0 | 0 | 0 | 0 | 111 | | |
| 1064 | S | 30 | Very low | 28.2 | Very low | 115 Ų | 115 | 115.3 Ų | 115.3 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | | | | 148.7 | 114.9 | 121.9 | -59.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1065 | S | 28.5 | Very low | 28.2 | Very low | 113 Ų | 113 | 118 Ų | 118 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | | | | 54.1 | 110.5 | 118.2 | -106.2 | 0 | 0 | 0 | 0 | 111 | | |
| 1066 | V | 25.9 | Very low | 28.2 | Very low | 122 Ų | 122 | 119.5 Ų | 119.5 | 74% | 0.739 | 71% | 0.709 | S | S | * | * | | | | 123.5 | 112.1 | 112.9 | 177.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1067 | M | 27 | Very low | 28.5 | Very low | 157 Ų | 157 | 121.2 Ų | 121.2 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | | | | 155 | 117.2 | 116.1 | -88 | -107.5 | -136.7 | 0 | 0 | 109.2 | | |
| 1068 | V | 25.8 | Very low | 29.1 | Very low | 112 Ų | 112 | 120.4 Ų | 120.4 | 68% | 0.679 | 70% | 0.701 | S | S | * | * | | | | 51.3 | 111.7 | 106.4 | 176.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1069 | T | 27.5 | Very low | 29.5 | Very low | 104 Ų | 104 | 118.9 Ų | 118.9 | 64% | 0.638 | 69% | 0.688 | S | S | * | * | | | | 147 | 119.5 | 111.3 | -33.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1070 | T | 28.3 | Very low | 29.8 | Very low | 92 Ų | 92 | 121.5 Ų | 121.5 | 56% | 0.564 | 69% | 0.691 | S | S | * | * | | | | 102.4 | 124 | 99.2 | -43.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1071 | I | 27.9 | Very low | 29.9 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 57% | 0.574 | 69% | 0.693 | S | S | * | * | | | | 168.3 | 112.9 | 121 | -57.5 | 176.8 | 0 | 0 | 0 | 108 | T1073 | I1071-T1073 HydrophobicContact CG2-CG2 2.96Å; I1071-T1073 WeakPolarHBondContact CG2-OG1 3.21Å |
| 1072 | V | 28.7 | Very low | 30.1 | Very low | 138 Ų | 138 | 118.2 Ų | 118.2 | 84% | 0.836 | 69% | 0.689 | S | S | * | * | | | | -151.9 | 114.4 | 119.6 | 170.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1073 | T | 32.1 | Very low | 30 | Very low | 84 Ų | 84 | 118 Ų | 118 | 52% | 0.515 | 69% | 0.688 | S | S | . | * | | | | 58.9 | 119.3 | 82.1 | 19.9 | 0 | 0 | 0 | 0 | 110.3 | I1071 | I1071-T1073 HydrophobicContact CG2-CG2 2.96Å; I1071-T1073 WeakPolarHBondContact CG2-OG1 3.21Å |
| 1074 | T | 33.6 | Very low | 30.2 | Very low | 112 Ų | 112 | 117.3 Ų | 117.3 | 69% | 0.687 | 68% | 0.679 | S | S | * | * | | | | 138.9 | 119.6 | 89.8 | 0.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1075 | Q | 28.9 | Very low | 30.2 | Very low | 159 Ų | 159 | 119 Ų | 119 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | | | | 79.6 | 0 | 74.9 | -92.9 | -150.3 | 14.5 | 0 | 0 | 110.4 | | |
| 1076 | L | 31.2 | Very low | 30.2 | Very low | 135 Ų | 135 | 118.7 Ų | 118.7 | 71% | 0.707 | 67% | 0.67 | S | S | * | * | | | | 0 | 0 | 0 | -104.2 | 133.2 | 0 | 0 | 0 | 109.5 | | |
| 1077 | I | 35.1 | Very low | 30.6 | Very low | 140 Ų | 140 | 117.6 Ų | 117.6 | 72% | 0.718 | 67% | 0.668 | S | S | * | * | | | | 0 | 0 | 0 | -57.1 | 172.5 | 0 | 0 | 0 | 109.9 | | |
| 1078 | P | 42.2 | Very low | 30.8 | Very low | 90 Ų | 90 | 117.2 Ų | 117.2 | 58% | 0.584 | 67% | 0.669 | S | S | * | * | | | | 0 | 0 | 0 | 33.9 | -5 | 0 | 0 | 0 | 112.2 | R288 | R288-P1078 PolarHBondContact NH2-O 2.02Š|
| 1079 | T | 33.4 | Very low | 31 | Very low | 90 Ų | 90 | 117 Ų | 117 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | | | | 0 | 0 | 0 | 50.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1080 | M | 31.3 | Very low | 31 | Very low | 159 Ų | 159 | 116.5 Ų | 116.5 | 78% | 0.783 | 67% | 0.665 | S | S | * | * | | | | 0 | 0 | 0 | -79.7 | -73.8 | 135.7 | 0 | 0 | 109.3 | | |
| 1081 | S | 28.8 | Very low | 31 | Very low | 88 Ų | 88 | 118.3 Ų | 118.3 | 62% | 0.615 | 67% | 0.669 | S | S | * | * | | | | 0 | 0 | 0 | -34.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1082 | T | 30.2 | Very low | 31.1 | Very low | 112 Ų | 112 | 119 Ų | 119 | 69% | 0.687 | 68% | 0.679 | S | S | * | * | | | | 0 | 126.6 | 0 | -23.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1083 | I | 29 | Very low | 31.4 | Very low | 134 Ų | 134 | 118 Ų | 118 | 69% | 0.687 | 68% | 0.676 | S | S | * | * | | | | 112.6 | 123.5 | 84.4 | -63.7 | 174.8 | 0 | 0 | 0 | 108.5 | | |
| 1084 | T | 28.5 | Very low | 31.3 | Very low | 96 Ų | 96 | 119.6 Ų | 119.6 | 59% | 0.589 | 69% | 0.69 | S | S | * | * | | | | 118.4 | 122.3 | 92 | -1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1085 | M | 29.7 | Very low | 31.3 | Very low | 150 Ų | 150 | 122.9 Ų | 122.9 | 74% | 0.739 | 70% | 0.698 | S | S | * | * | | | | 147.8 | 118.5 | 79.4 | -77.2 | -96.6 | 125.4 | 0 | 0 | 109.3 | | |
| 1086 | T | 30.1 | Very low | 31.1 | Very low | 106 Ų | 106 | 123.3 Ų | 123.3 | 65% | 0.65 | 70% | 0.702 | S | S | * | * | | | | 108 | 111.9 | 87.8 | 41.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1087 | S | 32.5 | Very low | 31.1 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | | | | 127.8 | 112.4 | 90.5 | 11.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1088 | N | 31 | Very low | 30.8 | Very low | 149 Ų | 149 | 122.4 Ų | 122.4 | 80% | 0.797 | 70% | 0.702 | S | S | * | * | | | | 89.4 | 118.4 | 85.9 | -86.8 | -1.3 | 0 | 0 | 0 | 110.5 | | |
| 1089 | T | 31.3 | Very low | 30.1 | Very low | 108 Ų | 108 | 123.6 Ų | 123.6 | 66% | 0.663 | 71% | 0.708 | S | S | * | * | | | | 102.9 | 119.8 | 79.5 | 1.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1090 | T | 26.7 | Very low | 29.7 | Very low | 92 Ų | 92 | 123.7 Ų | 123.7 | 56% | 0.564 | 71% | 0.712 | S | S | * | * | | | | 69.6 | 123.7 | 90.1 | -27 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1091 | I | 28.3 | Very low | 29.7 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 67% | 0.667 | 72% | 0.716 | S | S | * | * | | | | 100.4 | 117.7 | 92.1 | -62.7 | -179.8 | 0 | 0 | 0 | 108.6 | | |
| 1092 | T | 31.1 | Very low | 29.7 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | | | | 138.4 | 136.6 | 104.5 | 29.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1093 | P | 35.1 | Very low | 29.8 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | | | trans | -115.4 | 119.8 | -178.9 | 33.6 | -5.3 | 0 | 0 | 0 | 111.7 | | |
| 1094 | S | 29.6 | Very low | 29.7 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | | | trans | -139.9 | 106 | 150.4 | -61.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1095 | Q | 33.2 | Very low | 30.2 | Very low | 182 Ų | 182 | 126.1 Ų | 126.1 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | | | | 70.1 | 99.5 | 111.5 | -77.3 | -169.1 | -13.3 | 0 | 0 | 110.4 | | |
| 1096 | M | 25.8 | Very low | 30.1 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 82% | 0.823 | 74% | 0.743 | S | S | * | * | | | | 90.1 | 94.9 | 106.9 | -115.4 | -177.2 | 178.2 | 0 | 0 | 110 | | |
| 1097 | I | 30.9 | Very low | 30.1 | Very low | 141 Ų | 141 | 124.8 Ų | 124.8 | 72% | 0.723 | 74% | 0.74 | S | S | * | * | | | | 126.6 | 96.1 | 115.1 | -64.9 | 175.2 | 0 | 0 | 0 | 108.3 | | |
| 1098 | T | 28.5 | Very low | 30.1 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | | | | 55.2 | 108.4 | 111 | -5.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1099 | T | 26.5 | Very low | 30.1 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | | | | 85.5 | 122.9 | 95.2 | 50.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1100 | S | 26.5 | Very low | 30.2 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | | | | 151.5 | 125.3 | 107.9 | 19.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1101 | F | 29.3 | Very low | 30.6 | Very low | 199 Ų | 199 | 133.3 Ų | 133.3 | 87% | 0.873 | 76% | 0.759 | S | S | * | * | | | | 121.5 | 0 | 89.5 | -81.7 | -78.1 | 0 | 0 | 0 | 109.4 | | |
| 1102 | A | 30.6 | Very low | 30.7 | Very low | 95 Ų | 95 | 133.6 Ų | 133.6 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | S | Bend | | 0 | 103.7 | 0 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1103 | T | 32.1 | Very low | 31 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | | 112.7 | 109.7 | 101.4 | 49.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1104 | S | 27.3 | Very low | 31 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | | 156.7 | 0 | 69.6 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1105 | P | 37.6 | Very low | 31.3 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | | | | 0 | 130 | 0 | 33.2 | -4.8 | 0 | 0 | 0 | 111.8 | | |
| 1106 | D | 27.7 | Very low | 31.2 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | | | | 119.4 | 101.8 | 128.1 | -119.4 | -7.4 | 0 | 0 | 0 | 109.7 | | |
| 1107 | A | 30.1 | Very low | 31.6 | Very low | 71 Ų | 71 | 134.2 Ų | 134.2 | 59% | 0.587 | 76% | 0.759 | S | S | * | * | | | | 93.9 | 107.3 | 101.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1108 | T | 33.6 | Very low | 31.7 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | | 106.1 | 111.7 | 104.3 | 47.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1109 | K | 30 | Very low | 31.8 | Very low | 190 Ų | 190 | 130.8 Ų | 130.8 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | | | | 73.7 | 0 | 97.1 | -110.6 | -178.3 | -173 | -175.1 | 0 | 110.4 | | |
| 1110 | I | 32.7 | Very low | 33.1 | Very low | 139 Ų | 139 | 128.9 Ų | 128.9 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | | | | 0 | 119.9 | 0 | -62.8 | -170.5 | 0 | 0 | 0 | 108.5 | | |
| 1111 | H | 36.1 | Very low | 33.3 | Very low | 169 Ų | 169 | 130.5 Ų | 130.5 | 78% | 0.782 | 74% | 0.737 | S | S | * | * | | | | 97.3 | 0 | 94.7 | -122 | -85.1 | 0 | 0 | 0 | 110.1 | | |
| 1112 | D | 29.7 | Very low | 33.3 | Very low | 135 Ų | 135 | 125.5 Ų | 125.5 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | | | | 0 | 0 | 0 | -89.1 | -20.6 | 0 | 0 | 0 | 110.7 | | |
| 1113 | L | 38.1 | Very low | 33.3 | Very low | 176 Ų | 176 | 125.6 Ų | 125.6 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | | | | 0 | 0 | 0 | -77.4 | 162.9 | 0 | 0 | 0 | 109.5 | | |
| 1114 | N | 34.6 | Very low | 33.2 | Very low | 143 Ų | 143 | 125.6 Ų | 125.6 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | | | | 0 | 0 | 0 | -111.6 | 0.5 | 0 | 0 | 0 | 110.7 | | |
| 1115 | H | 36.2 | Very low | 33.4 | Very low | 167 Ų | 167 | 125.7 Ų | 125.7 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | | | | 0 | 0 | 0 | -100 | -41.6 | 0 | 0 | 0 | 110.5 | | |
| 1116 | N | 32.1 | Very low | 33.3 | Very low | 154 Ų | 154 | 129 Ų | 129 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | | | | 0 | 109.9 | 0 | -110.8 | 0.8 | 0 | 0 | 0 | 110.5 | | |
| 1117 | A | 34 | Very low | 34 | Very low | 83 Ų | 83 | 126.2 Ų | 126.2 | 69% | 0.686 | 72% | 0.724 | S | S | * | * | | | | 88.7 | 0 | 100.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1118 | D | 32.2 | Very low | 34 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | | | | 0 | 0 | 0 | -87.6 | -18.1 | 0 | 0 | 0 | 109.5 | Y1141 | D1118-Y1141 WeakPolarHBondContact O-CE2 3.34Š|
| 1119 | S | 30.7 | Very low | 33.5 | Very low | 35 Ų | 35 | 131 Ų | 131 | 25% | 0.245 | 73% | 0.734 | C | S | . | * | S | Bend | | 0 | 0 | 0 | 59 | 0 | 0 | 0 | 0 | 110.1 | V1121 Y1141 | S1119-V1121 PolarHBondContact O-N 2.46Å; S1119-Y1141 WeakPolarHBondContact OG-CD1 3.45Å; S1119-Y1141 WeakPolarHBondContact OG-CD2 3.17Å; S1119-Y1141 WeakPolarHBondContact OG-CE1 3.45Å; S1119-Y1141 CovalentContact OG-CE2 1.76Å; S1119-Y1141 WeakPolarHBondContact OG-CE2 3.42Å; S1119-Y1141 PolarHBondContact OG-OH 2.37Å |
| 1120 | S | 53.7 | Low | 34.6 | Very low | 76 Ų | 76 | 127.5 Ų | 127.5 | 53% | 0.531 | 73% | 0.732 | S | S | . | * | S | Bend | | 0 | 73.8 | 0 | 65.2 | 0 | 0 | 0 | 0 | 111 | Y1141 | S1120-Y1141 WeakPolarHBondContact OG-CE1 2.85Å; S1120-Y1141 WeakPolarHBondContact OG-CE2 3.18Å; S1120-Y1141 PolarHBondContact OG-OH 3.45Å |
| 1121 | V | 30.4 | Very low | 34.5 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | | | | 159.8 | 109.1 | 81.9 | -136.5 | 0 | 0 | 0 | 0 | 107.9 | S1119 | S1119-V1121 PolarHBondContact O-N 2.46Š|
| 1122 | S | 30.6 | Very low | 34.2 | Very low | 95 Ų | 95 | 126 Ų | 126 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | | | | 59 | 111.9 | 120.1 | 111.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1123 | S | 29.6 | Very low | 34.2 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | | | | 100 | 123.7 | 128.1 | 27.3 | 0 | 0 | 0 | 0 | 110 | | |
| 1124 | T | 30.9 | Very low | 33.7 | Very low | 130 Ų | 130 | 122.7 Ų | 122.7 | 80% | 0.798 | 74% | 0.735 | S | S | * | * | | | | 115.1 | 0 | 119 | -15.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1125 | S | 31.4 | Very low | 33.5 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | | | | 0 | 0 | 0 | 58.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1126 | L | 34.6 | Very low | 33.2 | Very low | 173 Ų | 173 | 120.6 Ų | 120.6 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | | | | 0 | 0 | 0 | -71.3 | 169.5 | 0 | 0 | 0 | 111.2 | | |
| 1127 | P | 41.9 | Very low | 33 | Very low | 99 Ų | 99 | 119 Ų | 119 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | | | | 0 | 0 | 0 | 34.1 | -5.1 | 0 | 0 | 0 | 112 | | |
| 1128 | F | 30.1 | Very low | 32.9 | Very low | 196 Ų | 196 | 124.3 Ų | 124.3 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | | | | 0 | 0 | 0 | -96.2 | -80.3 | 0 | 0 | 0 | 109.7 | | |
| 1129 | S | 24.7 | Very low | 33 | Very low | 106 Ų | 106 | 122.5 Ų | 122.5 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | | | | 0 | 0 | 0 | -69 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1130 | P | 53.4 | Low | 33.1 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | | | | 0 | 0 | 0 | 33.7 | -4.7 | 0 | 0 | 0 | 111.9 | | |
| 1131 | S | 29 | Very low | 31.8 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | | | | 0 | 0 | 0 | 64.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1132 | N | 30.4 | Very low | 32 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | | | | 0 | 125.7 | 0 | -102.2 | -5.6 | 0 | 0 | 0 | 110.2 | | |
| 1133 | A | 28.8 | Very low | 32 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | | | | 168.2 | 118.8 | 96.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1134 | D | 28.2 | Very low | 32.1 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | | | | 136.1 | 0 | 88 | -93 | -14.3 | 0 | 0 | 0 | 109.4 | | |
| 1135 | N | 31.4 | Very low | 32.1 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | | 0 | 0 | 0 | -79 | -4.9 | 0 | 0 | 0 | 110.9 | | |
| 1136 | S | 28.5 | Very low | 31.9 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | | 0 | 0 | 0 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1137 | S | 29.2 | Very low | 31.8 | Very low | 120 Ų | 120 | 135 Ų | 135 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | | | | 0 | 121.7 | 0 | 67 | 0 | 0 | 0 | 0 | 110 | | |
| 1138 | K | 32.2 | Very low | 31.3 | Very low | 195 Ų | 195 | 137.7 Ų | 137.7 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | | | | 76.4 | 0 | 106.6 | -118.9 | 178.7 | -174.3 | 179.8 | 0 | 110.6 | | |
| 1139 | T | 33.4 | Very low | 31.3 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | | | | 0 | 0 | 0 | 15.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1140 | V | 33.8 | Very low | 31.6 | Very low | 101 Ų | 101 | 137 Ų | 137 | 61% | 0.612 | 75% | 0.753 | S | S | * | * | | | | 0 | 0 | 0 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | K1142 | V1140-K1142 HydrophobicContact CG1-CB 4.22Å; V1140-K1142 HydrophobicContact CG1-CD 4.46Å; V1140-K1142 HydrophobicContact CG1-CG 3.94Å |
| 1141 | Y | 26.1 | Very low | 30.6 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | | | | 0 | 0 | 0 | -102.8 | -83.8 | 0 | 0 | 0 | 110.6 | D1118 S1119 S1120 | D1118-Y1141 WeakPolarHBondContact O-CE2 3.34Å; S1119-Y1141 WeakPolarHBondContact OG-CD1 3.45Å; S1119-Y1141 WeakPolarHBondContact OG-CD2 3.17Å; S1119-Y1141 WeakPolarHBondContact OG-CE1 3.45Å; S1119-Y1141 CovalentContact OG-CE2 1.76Å; S1119-Y1141 WeakPolarHBondContact OG-CE2 3.42Å; S1119-Y1141 PolarHBondContact OG-OH 2.37Å; S1120-Y1141 WeakPolarHBondContact OG-CE1 2.85Å; S1120-Y1141 WeakPolarHBondContact OG-CE2 3.18Å; S1120-Y1141 PolarHBondContact OG-OH 3.45Å |
| 1142 | K | 33.6 | Very low | 30.8 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | | | | 0 | 0 | 0 | -94.5 | -177.7 | -177.4 | 179 | 0 | 110 | V1140 | V1140-K1142 HydrophobicContact CG1-CB 4.22Å; V1140-K1142 HydrophobicContact CG1-CD 4.46Å; V1140-K1142 HydrophobicContact CG1-CG 3.94Å |
| 1143 | N | 31.9 | Very low | 30.7 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | | | | 0 | 127.5 | 0 | -87.9 | -16.5 | 0 | 0 | 0 | 109.9 | | |
| 1144 | S | 31.3 | Very low | 30.6 | Very low | 90 Ų | 90 | 140 Ų | 140 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | | | | 132.1 | 122.4 | 69 | -39.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1145 | D | 29.8 | Very low | 30.5 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | S | Bend | | -171.7 | 109.9 | 105.5 | -87 | -21.9 | 0 | 0 | 0 | 109.2 | | |
| 1146 | L | 28.7 | Very low | 30.3 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 71% | 0.707 | 73% | 0.733 | S | S | * | * | | | | 143.5 | 104.1 | 90.5 | -112.9 | 133.9 | 0 | 0 | 0 | 109.3 | | |
| 1147 | L | 30.6 | Very low | 30.2 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 67% | 0.665 | 73% | 0.725 | S | S | * | * | | | | 125.6 | 107.3 | 98.9 | -84.2 | 168.6 | 0 | 0 | 0 | 109.5 | | |
| 1148 | Q | 31.8 | Very low | 30.3 | Very low | 156 Ų | 156 | 137.3 Ų | 137.3 | 73% | 0.729 | 73% | 0.726 | S | S | * | * | | | | 126.4 | 105.4 | 97.4 | -109.7 | 169.4 | 26 | 0 | 0 | 109.7 | | |
| 1149 | N | 31.1 | Very low | 30.2 | Very low | 128 Ų | 128 | 132 Ų | 132 | 68% | 0.684 | 71% | 0.713 | S | S | * | * | | | | 110.4 | 109 | 99.3 | -104.9 | -3.8 | 0 | 0 | 0 | 110.5 | | |
| 1150 | E | 31.5 | Very low | 30 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | | | | 103.9 | 120.6 | 94.3 | -77.7 | -154.3 | 157.1 | 0 | 0 | 110 | | |
| 1151 | S | 31.4 | Very low | 29.9 | Very low | 94 Ų | 94 | 134 Ų | 134 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | | | | 103.3 | 119.9 | 93 | -48.8 | 0 | 0 | 0 | 0 | 110 | | |
| 1152 | K | 34.3 | Very low | 30.3 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | | | | 111.1 | 0 | 101.6 | -130.3 | 177.9 | -175.4 | -168.7 | 0 | 109.8 | | |
| 1153 | M | 26.6 | Very low | 30.2 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | | | | 0 | 0 | 0 | -105.6 | -174.2 | 113.6 | 0 | 0 | 109.8 | | |
| 1154 | V | 27.3 | Very low | 30.2 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 71% | 0.709 | 72% | 0.722 | S | S | * | * | | | | 0 | 119.1 | 0 | 171.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1155 | S | 26.6 | Very low | 30 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | | | | 92.2 | 125.4 | 102.9 | -152.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1156 | V | 27.5 | Very low | 30.3 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 79% | 0.788 | 73% | 0.734 | S | S | * | * | | | | 111 | 114.1 | 119.3 | 177 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1157 | G | 26.1 | Very low | 30.5 | Very low | 64 Ų | 64 | 135.5 Ų | 135.5 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | | | | 66.2 | 111.2 | 114.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1158 | K | 30.7 | Very low | 30.9 | Very low | 197 Ų | 197 | 136.3 Ų | 136.3 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | | | | 140.8 | 115.3 | 121.7 | -108.8 | 174.3 | -178.4 | 173.7 | 0 | 109.6 | | |
| 1159 | S | 29.4 | Very low | 31.1 | Very low | 83 Ų | 83 | 134.8 Ų | 134.8 | 58% | 0.58 | 75% | 0.745 | S | S | * | * | | | | 83.1 | 117 | 100.2 | 48.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1160 | D | 29.8 | Very low | 30.9 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | | | | 82.8 | 117.6 | 108 | -72.5 | -30.2 | 0 | 0 | 0 | 110.1 | | |
| 1161 | D | 32.1 | Very low | 31 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 66% | 0.663 | 74% | 0.744 | S | S | * | * | | | | 103.6 | 113.8 | 107.6 | -73.9 | -25.7 | 0 | 0 | 0 | 109.8 | | |
| 1162 | K | 33.4 | Very low | 30.9 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 78% | 0.778 | 75% | 0.748 | S | S | * | * | | | | 100.6 | 104.8 | 106.1 | -99.1 | -171.7 | -177.7 | -179.2 | 0 | 110.1 | | |
| 1163 | E | 32.4 | Very low | 30.6 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | | 78.4 | 0 | 96.3 | -160.5 | 159.5 | -179.6 | 0 | 0 | 110.3 | | |
| 1164 | A | 31.2 | Very low | 30.8 | Very low | 99 Ų | 99 | 139 Ų | 139 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | | 0 | 108 | 0 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1165 | A | 28 | Very low | 31 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | | 77.8 | 0 | 83.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1166 | K | 34.9 | Very low | 31.8 | Very low | 207 Ų | 207 | 138.5 Ų | 138.5 | 90% | 0.9 | 76% | 0.758 | S | S | * | * | | | | 0 | 100.3 | 0 | -100.5 | 178.9 | -175.2 | -177.4 | 0 | 109.6 | | |
| 1167 | N | 34 | Very low | 31.9 | Very low | 157 Ų | 157 | 135 Ų | 135 | 84% | 0.84 | 74% | 0.737 | S | S | * | * | | | | -86.4 | 113.8 | 124.5 | -95.5 | -25 | 0 | 0 | 0 | 111.1 | | |
| 1168 | I | 39 | Very low | 32 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | | | | 73.9 | 0 | 73.5 | -68.7 | 175.9 | 0 | 0 | 0 | 109.5 | | |
| 1169 | V | 35.1 | Very low | 32.1 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | | | | 0 | 0 | 0 | 173.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1170 | N | 28.5 | Very low | 32.3 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | | | | 0 | 111.9 | 0 | -123.3 | 19.7 | 0 | 0 | 0 | 110.5 | | |
| 1171 | N | 31.9 | Very low | 32.5 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | | | trans | 135.9 | 103.4 | 136 | -90.4 | -19.2 | 0 | 0 | 0 | 110 | | |
| 1172 | Q | 30.6 | Very low | 32.3 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | | 79.2 | 110.6 | 106.4 | -99.2 | -171.7 | 33.7 | 0 | 0 | 110.8 | | |
| 1173 | M | 28.3 | Very low | 32.1 | Very low | 170 Ų | 170 | 134 Ų | 134 | 84% | 0.837 | 75% | 0.749 | S | S | * | * | | | | 76.8 | 102.6 | 120.6 | -100.7 | 170.1 | 179.1 | 0 | 0 | 110.5 | | |
| 1174 | K | 30.9 | Very low | 31.9 | Very low | 207 Ų | 207 | 132.2 Ų | 132.2 | 90% | 0.9 | 75% | 0.745 | S | S | * | * | | | | 150.8 | 0 | 100.2 | -127.3 | 169.6 | -172.1 | -158.9 | 0 | 109.4 | | |
| 1175 | S | 31.2 | Very low | 31.8 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | | | | 0 | 132.2 | 0 | 131.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1176 | P | 42.4 | Very low | 31.9 | Very low | 101 Ų | 101 | 136 Ų | 136 | 66% | 0.656 | 74% | 0.739 | S | S | * | * | | | | -154.6 | 0 | -59.4 | 34.8 | -6 | 0 | 0 | 0 | 112.3 | | |
| 1177 | V | 29.8 | Very low | 31.8 | Very low | 57 Ų | 57 | 130.6 Ų | 130.6 | 35% | 0.345 | 73% | 0.727 | S | S | . | * | | | | 0 | 0 | 0 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | V511 A512 G513 | V511-V1177 CarbonylContact C-O 3.32Å; A512-V1177 CovalentContact C-CG1 1.28Å; A512-V1177 CarbonylContact C-O 3.54Å; A512-V1177 HydrophobicContact CB-CG1 3.77Å; A512-V1177 PolarHBondContact N-O 3.29Å; A512-V1177 VanDerWaalsContact N-O 3.16Å; A512-V1177 CarbonylContact O-C 3.36Å; A512-V1177 WeakPolarHBondContact O-CA 3.46Å; A512-V1177 WeakPolarHBondContact O-CB 3.3Å; A512-V1177 CovalentContact O-CG1 1.48Å; A512-V1177 WeakPolarHBondContact O-CG1 3.41Å; A512-V1177 WeakPolarHBondContact O-CG2 3.48Å; G513-V1177 VanDerWaalsContact C-CG1 3.42Å; G513-V1177 CovalentContact N-CG1 1.47Å; G513-V1177 VanDerWaalsContact O-CG1 3.29Å; G513-V1177 WeakPolarHBondContact O-CG1 3.15Å |
| 1178 | S | 29.2 | Very low | 31.8 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 65% | 0.65 | 72% | 0.723 | S | S | * | * | | | | 0 | 0 | 0 | -98.9 | 0 | 0 | 0 | 0 | 112 | A512 | A512-S1178 CarbonylContact C-O 3.53Å; A512-S1178 WeakPolarHBondContact CB-O 3.47Å; A512-S1178 CarbonylContact O-C 2.16Å; A512-S1178 PolarHBondContact O-N 3.34Å |
| 1179 | S | 32.1 | Very low | 31.3 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | | | | 0 | 0 | 0 | -9.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1180 | T | 33.9 | Very low | 31.2 | Very low | 124 Ų | 124 | 129 Ų | 129 | 76% | 0.761 | 72% | 0.721 | S | S | * | * | | | | 0 | 0 | 0 | -34.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1181 | L | 34.2 | Very low | 31.5 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | | | | 0 | 134.1 | 0 | -85.1 | 169.4 | 0 | 0 | 0 | 110.6 | | |
| 1182 | L | 26.7 | Very low | 31.7 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | | | trans | 82.5 | 116.2 | 144.2 | -92.2 | 159.3 | 0 | 0 | 0 | 109.8 | | |
| 1183 | V | 29.7 | Very low | 31.9 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | | | | 131.4 | 108.5 | 119.6 | 177.2 | 0 | 0 | 0 | 0 | 108 | | |
| 1184 | N | 28.1 | Very low | 32.3 | Very low | 136 Ų | 136 | 123.9 Ų | 123.9 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | | | | 52.3 | 114.2 | 121.8 | -81.1 | -12.2 | 0 | 0 | 0 | 111.1 | | |
| 1185 | N | 29.3 | Very low | 32.6 | Very low | 135 Ų | 135 | 119.1 Ų | 119.1 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | | | | 106.8 | 113.9 | 118.3 | -89.6 | -13.9 | 0 | 0 | 0 | 110.1 | | |
| 1186 | D | 30.7 | Very low | 32.9 | Very low | 136 Ų | 136 | 117 Ų | 117 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | | | | 130.1 | 115 | 109.3 | -82.4 | -23.7 | 0 | 0 | 0 | 109.3 | | |
| 1187 | S | 33 | Very low | 32.6 | Very low | 94 Ų | 94 | 117 Ų | 117 | 66% | 0.657 | 66% | 0.66 | S | S | * | * | | | | 65.3 | 118.2 | 101.8 | -48 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1188 | N | 32.5 | Very low | 32.6 | Very low | 141 Ų | 141 | 119.3 Ų | 119.3 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | | | | 121.6 | 117.2 | 107.9 | -84.4 | -14.9 | 0 | 0 | 0 | 110 | | |
| 1189 | N | 30.3 | Very low | 32.8 | Very low | 134 Ų | 134 | 121 Ų | 121 | 72% | 0.717 | 67% | 0.668 | S | S | * | * | | | | 98.3 | 118.6 | 100.1 | -102.9 | -6.1 | 0 | 0 | 0 | 110.5 | | |
| 1190 | T | 32.8 | Very low | 32.8 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 72% | 0.718 | 66% | 0.658 | S | S | * | * | | | | 124.5 | 114.6 | 104.8 | 32 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1191 | S | 34.4 | Very low | 32.5 | Very low | 89 Ų | 89 | 121 Ų | 121 | 62% | 0.622 | 65% | 0.647 | S | S | * | * | | | | 102.7 | 112.9 | 100.1 | 75.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1192 | D | 35.6 | Very low | 32.1 | Very low | 124 Ų | 124 | 118.5 Ų | 118.5 | 66% | 0.663 | 64% | 0.643 | S | S | * | * | | | | 121.7 | 110.8 | 104.1 | -83 | -25.6 | 0 | 0 | 0 | 109.6 | | |
| 1193 | Q | 35.4 | Very low | 32.2 | Very low | 130 Ų | 130 | 120.4 Ų | 120.4 | 61% | 0.607 | 64% | 0.644 | S | S | * | * | | | | 86.2 | 115.8 | 95.2 | -111.9 | -178 | -18.1 | 0 | 0 | 110.2 | | |
| 1194 | K | 36.5 | Very low | 32.2 | Very low | 144 Ų | 144 | 123 Ų | 123 | 63% | 0.626 | 65% | 0.653 | S | S | * | * | | | | 101.6 | 111.3 | 91.1 | -120.2 | -178.1 | 179.5 | 169.8 | 0 | 110 | | |
| 1195 | D | 36 | Very low | 32.4 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 57% | 0.572 | 66% | 0.655 | S | S | * | * | | | | 142.3 | 115.5 | 96.8 | -82.1 | -21.6 | 0 | 0 | 0 | 109.4 | | |
| 1196 | S | 37.8 | Very low | 32.2 | Very low | 57 Ų | 57 | 122.1 Ų | 122.1 | 40% | 0.399 | 66% | 0.656 | S | S | . | * | | | | 119.4 | 116.1 | 83.5 | 7.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1197 | I | 35.9 | Very low | 32.2 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 52% | 0.518 | 66% | 0.657 | S | S | . | * | | | | 94.9 | 123.2 | 69.3 | -58.5 | 174 | 0 | 0 | 0 | 109.1 | | |
| 1198 | N | 31.4 | Very low | 32 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 56% | 0.561 | 65% | 0.652 | S | S | * | * | | | | 104 | 128.2 | 75.5 | -144.8 | 11.2 | 0 | 0 | 0 | 110.7 | | |
| 1199 | E | 32.8 | Very low | 31.6 | Very low | 129 Ų | 129 | 118.2 Ų | 118.2 | 60% | 0.603 | 64% | 0.641 | S | S | * | * | | | | 143.5 | 129.5 | 92.9 | -94.5 | -143.4 | 177.1 | 0 | 0 | 109.9 | | |
| 1200 | N | 31.7 | Very low | 31.6 | Very low | 82 Ų | 82 | 114.9 Ų | 114.9 | 44% | 0.439 | 63% | 0.625 | S | S | . | * | | | | 90.5 | 131.2 | 77.4 | -93.1 | -14.9 | 0 | 0 | 0 | 111 | | |
| 1201 | Y | 27 | Very low | 31.6 | Very low | 137 Ų | 137 | 113.7 Ų | 113.7 | 54% | 0.537 | 62% | 0.621 | S | S | . | * | | | | 81 | 121 | 93.4 | -97.2 | -85.8 | 0 | 0 | 0 | 110 | V504 | V504-Y1201 HydrophobicContact CB-CD2 4.36Å; V504-Y1201 HydrophobicContact CB-CE2 3.93Å; V504-Y1201 HydrophobicContact CG1-CE1 4.38Å; V504-Y1201 HydrophobicContact CG1-CE2 3.89Å; V504-Y1201 WeakPolarHBondContact CG1-OH 3.21Å; V504-Y1201 HydrophobicContact CG2-CD1 3.9Å; V504-Y1201 HydrophobicContact CG2-CD2 2.89Å; V504-Y1201 HydrophobicContact CG2-CE1 3.81Å; V504-Y1201 HydrophobicContact CG2-CE2 2.75Å; V504-Y1201 HydrophobicContact CG2-CG 3.47Å; V504-Y1201 VanDerWaalsContact CG2-CG 3.47Å |
| 1202 | S | 26.1 | Very low | 31.8 | Very low | 107 Ų | 107 | 114.1 Ų | 114.1 | 75% | 0.748 | 62% | 0.624 | S | S | * | * | | | | 151.1 | 109.4 | 102.7 | 55.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1203 | K | 30 | Very low | 31.9 | Very low | 203 Ų | 203 | 111 Ų | 111 | 88% | 0.883 | 61% | 0.612 | S | S | * | * | | | trans | -130.9 | 95.8 | 144 | -117.6 | 179.8 | -172.3 | -168.6 | 0 | 109.6 | | |
| 1204 | L | 29.1 | Very low | 32 | Very low | 174 Ų | 174 | 106.8 Ų | 106.8 | 91% | 0.911 | 60% | 0.604 | S | S | * | * | S | Bend | | -137.6 | 92.4 | 115.8 | -100 | 161.7 | 0 | 0 | 0 | 109.4 | | |
| 1205 | L | 31.4 | Very low | 32.3 | Very low | 147 Ų | 147 | 102.7 Ų | 102.7 | 77% | 0.77 | 59% | 0.593 | S | S | * | * | | | | 82.8 | 0 | 113.6 | -116.9 | 93.8 | 0 | 0 | 0 | 109.6 | | |
| 1206 | S | 26.5 | Very low | 32.4 | Very low | 106 Ų | 106 | 101.6 Ų | 101.6 | 74% | 0.741 | 59% | 0.588 | S | S | * | * | | | | 0 | 0 | 0 | 68.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1207 | T | 29.4 | Very low | 32.3 | Very low | 122 Ų | 122 | 105.9 Ų | 105.9 | 75% | 0.748 | 61% | 0.606 | S | S | * | * | | | | 0 | 0 | 0 | -58.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1208 | V | 28.9 | Very low | 32.3 | Very low | 93 Ų | 93 | 105 Ų | 105 | 56% | 0.564 | 61% | 0.609 | S | S | * | * | | | | 0 | 0 | 0 | 177.8 | 0 | 0 | 0 | 0 | 108.4 | M1522 | V1208-M1522 HydrophobicContact CB-CE 2.88Å; V1208-M1522 HydrophobicContact CB-SD 3.96Å; V1208-M1522 HydrophobicContact CG1-CB 4.47Å; V1208-M1522 HydrophobicContact CG1-CE 2.13Å; V1208-M1522 HydrophobicContact CG1-CG 3.57Å; V1208-M1522 HydrophobicContact CG1-SD 3.32Å; V1208-M1522 WeakPolarHBondContact CG1-SD 3.33Å; V1208-M1522 HydrophobicContact CG2-CE 4.11Å; V1208-M1522 WeakPolarHBondContact O-CE 3.4Å |
| 1209 | C | 24 | Very low | 32.7 | Very low | 75 Ų | 75 | 106.2 Ų | 106.2 | 51% | 0.507 | 61% | 0.614 | S | S | . | * | | | | 0 | 0 | 0 | -49.1 | 0 | 0 | 0 | 0 | 110.2 | M1522 M1523 | C1209-M1522 VanDerWaalsContact C-CG 3.44Å; C1209-M1522 CovalentContact CA-SD 2.13Å; C1209-M1522 WeakPolarHBondContact CA-SD 3.19Å; C1209-M1522 HydrophobicContact CB-CB 2.69Å; C1209-M1522 CovalentContact CB-CE 1.61Å; C1209-M1522 HydrophobicContact CB-CE 1.61Å; C1209-M1522 HydrophobicContact CB-CG 2.84Å; C1209-M1522 HydrophobicContact CB-SD 2.14Å; C1209-M1522 WeakPolarHBondContact CB-SD 3.27Å; C1209-M1522 PolarHBondContact N-SD 2.8Å; C1209-M1522 WeakPolarHBondContact O-CE 3.5Å; C1209-M1522 WeakPolarHBondContact O-CG 3.14Å; C1209-M1522 CovalentContact O-SD 1.79Å; C1209-M1522 CovalentContact SG-CE 1.77Å; C1209-M1522 WeakPolarHBondContact SG-CE 3.23Å; C1209-M1522 PolarHBondContact SG-SD 3.02Å; C1209-M1523 WeakPolarHBondContact O-CE 3.36Å; C1209-M1523 WeakPolarHBondContact O-CG 3.37Å |
| 1210 | V | 30.3 | Very low | 32.6 | Very low | 63 Ų | 63 | 107.2 Ų | 107.2 | 38% | 0.382 | 62% | 0.623 | S | S | . | * | | | | 0 | 0 | 0 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | I1521 M1522 | V1210-I1521 HydrophobicContact CB-CG2 3.91Å; V1210-I1521 HydrophobicContact CG1-CB 4.15Å; V1210-I1521 HydrophobicContact CG1-CG1 4.27Å; V1210-I1521 HydrophobicContact CG1-CG2 3.06Å; V1210-I1521 HydrophobicContact CG2-CG2 3.9Å; V1210-M1522 HydrophobicContact CB-CB 3.67Å; V1210-M1522 WeakPolarHBondContact CB-O 3.45Å; V1210-M1522 HydrophobicContact CB-SD 4.44Å; V1210-M1522 HydrophobicContact CG2-CB 2.63Å; V1210-M1522 HydrophobicContact CG2-CE 4.45Å; V1210-M1522 HydrophobicContact CG2-CG 3.76Å; V1210-M1522 WeakPolarHBondContact CG2-O 3.47Å; V1210-M1522 HydrophobicContact CG2-SD 3.85Å |
| 1211 | S | 34.4 | Very low | 32.6 | Very low | 92 Ų | 92 | 107.5 Ų | 107.5 | 64% | 0.643 | 64% | 0.637 | S | S | * | * | | | | 0 | 0 | 0 | -52.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1212 | S | 37.4 | Very low | 32.7 | Very low | 98 Ų | 98 | 106.7 Ų | 106.7 | 69% | 0.685 | 65% | 0.651 | S | S | * | * | | | | 0 | 0 | 0 | -42.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1213 | S | 37.3 | Very low | 32.8 | Very low | 58 Ų | 58 | 107 Ų | 107 | 41% | 0.406 | 65% | 0.653 | S | S | . | * | | | | 0 | 0 | 0 | 53.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1214 | G | 38.6 | Very low | 32.7 | Very low | 42 Ų | 42 | 102.8 Ų | 102.8 | 43% | 0.433 | 65% | 0.645 | S | S | . | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1215 | S | 42.5 | Very low | 32.9 | Very low | 59 Ų | 59 | 100.8 Ų | 100.8 | 41% | 0.413 | 64% | 0.64 | S | S | . | * | | | | 0 | 133.7 | 0 | -71 | 0 | 0 | 0 | 0 | 110.2 | M498 | M498-S1215 WeakPolarHBondContact CB-OG 3.49Š|
| 1216 | N | 37.2 | Very low | 32.5 | Very low | 84 Ų | 84 | 104.4 Ų | 104.4 | 45% | 0.449 | 65% | 0.645 | S | S | . | * | | | | 136.5 | 128.3 | 87.6 | -69.2 | -23.1 | 0 | 0 | 0 | 109.9 | M498 | M498-N1216 WeakPolarHBondContact CG-ND2 3.37Š|
| 1217 | N | 36.7 | Very low | 32.7 | Very low | 147 Ų | 147 | 104.9 Ų | 104.9 | 79% | 0.786 | 65% | 0.648 | S | S | * | * | | | | 68.1 | 141.3 | 72 | -85.9 | -11.3 | 0 | 0 | 0 | 110.9 | | |
| 1218 | S | 36.2 | Very low | 32.7 | Very low | 82 Ų | 82 | 108.3 Ų | 108.3 | 57% | 0.573 | 65% | 0.653 | S | S | * | * | | | | 135.2 | 136.4 | 94 | 159.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1219 | I | 38.2 | Very low | 32.9 | Very low | 131 Ų | 131 | 112.5 Ų | 112.5 | 67% | 0.672 | 67% | 0.671 | S | S | * | * | | | | 135 | 132 | 90.1 | -66 | 173 | 0 | 0 | 0 | 108.4 | | |
| 1220 | D | 32 | Very low | 33.1 | Very low | 149 Ų | 149 | 118.2 Ų | 118.2 | 80% | 0.797 | 69% | 0.688 | S | S | * | * | | | | 114.7 | 0 | 77.3 | -107.1 | -7.4 | 0 | 0 | 0 | 109.7 | | |
| 1221 | A | 31.4 | Very low | 33.1 | Very low | 88 Ų | 88 | 119.8 Ų | 119.8 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | | | | 0 | 129.1 | 0 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1222 | S | 28.5 | Very low | 32.8 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 84% | 0.839 | 71% | 0.71 | S | S | * | * | | | | 110.8 | 0 | 75.7 | -48.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1223 | S | 29.6 | Very low | 32.8 | Very low | 113 Ų | 113 | 124 Ų | 124 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | | | | 0 | 121 | 0 | 168.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1224 | T | 27.5 | Very low | 32.6 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 71% | 0.712 | 72% | 0.724 | S | S | * | * | | | | 99.1 | 121.7 | 93 | -18.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1225 | T | 33.6 | Very low | 32.5 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | | | | 153.2 | 113.3 | 109.9 | -10.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1226 | Y | 23.2 | Very low | 32.1 | Very low | 223 Ų | 223 | 136.9 Ų | 136.9 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | | | | 24.9 | 125.1 | 114.9 | -93.1 | -84.5 | 0 | 0 | 0 | 111.3 | | |
| 1227 | S | 29.8 | Very low | 32.1 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | | 176.9 | 117 | 106.7 | 32 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1228 | K | 28.7 | Very low | 32.4 | Very low | 195 Ų | 195 | 143.6 Ų | 143.6 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | | | | 69.6 | 95.6 | 101.8 | -146.4 | 162.5 | -174.7 | 178.8 | 0 | 110.7 | | |
| 1229 | L | 33.9 | Very low | 33.2 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 94% | 0.942 | 79% | 0.79 | S | S | * | * | | | trans | -135.4 | 87.9 | 142.6 | -85.3 | 160.1 | 0 | 0 | 0 | 109.4 | | |
| 1230 | K | 29.1 | Very low | 34 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | | | trans | 4 | 88.8 | 131 | -161.5 | 130 | 178.9 | -171.2 | 0 | 111.6 | | |
| 1231 | S | 29.2 | Very low | 35.5 | Very low | 96 Ų | 96 | 138.9 Ų | 138.9 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | | | trans | -49.3 | 98.3 | 156.4 | 60.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1232 | T | 28.1 | Very low | 37.7 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | | | trans | -57.6 | 84.5 | 146 | -58.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1233 | I | 37.4 | Very low | 40.3 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | | | trans | -72.4 | 93.8 | 163.2 | -63.2 | 175.5 | 0 | 0 | 0 | 109.1 | | |
| 1234 | T | 32.5 | Very low | 43.1 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | | | trans | -38.7 | 120.5 | 151.7 | 52.4 | 0 | 0 | 0 | 0 | 110.8 | F1236 | T1234-F1236 PolarHBondContact O-N 3.02Š|
| 1235 | P | 37.4 | Very low | 46 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 81% | 0.812 | 69% | 0.689 | S | S | * | * | | | trans | -60.7 | 102.4 | 178.6 | 18.3 | -5.1 | 0 | 0 | 0 | 111.7 | E1237 | P1235-E1237 PolarHBondContact O-N 3.46Š|
| 1236 | F | 34.9 | Very low | 48.6 | Very low | 198 Ų | 198 | 123.2 Ų | 123.2 | 87% | 0.868 | 65% | 0.651 | S | S | * | * | | | trans | -23.9 | 89.4 | 154.4 | -110.6 | -88.2 | 0 | 0 | 0 | 111.3 | T1234 | T1234-F1236 PolarHBondContact O-N 3.02Š|
| 1237 | E | 36.3 | Very low | 51.5 | Low | 186 Ų | 186 | 114.8 Ų | 114.8 | 87% | 0.869 | 62% | 0.624 | S | S | * | * | | | trans | -54.5 | 0 | 167.8 | -159.2 | 165.8 | 177.7 | 0 | 0 | 110.9 | P1235 | P1235-E1237 PolarHBondContact O-N 3.46Š|
| 1238 | F | 42.2 | Very low | 54.2 | Low | 185 Ų | 185 | 115.2 Ų | 115.2 | 81% | 0.811 | 62% | 0.617 | S | S | * | * | | | | 0 | 117.6 | 0 | -76.7 | -78.3 | 0 | 0 | 0 | 110.8 | | |
| 1239 | P | 53.2 | Low | 56.9 | Low | 105 Ų | 105 | 111.7 Ų | 111.7 | 68% | 0.682 | 61% | 0.607 | S | S | * | * | | | trans | -46.7 | 0 | 172.8 | 16.4 | -17 | 0 | 0 | 0 | 111.9 | | |
| 1240 | P | 56.5 | Low | 59.7 | Low | 111 Ų | 111 | 104.5 Ų | 104.5 | 72% | 0.721 | 57% | 0.567 | S | S | * | * | | | | 0 | 131.3 | 0 | 16.1 | -17.9 | 0 | 0 | 0 | 111.7 | | |
| 1241 | P | 63 | Low | 62.7 | Low | 48 Ų | 48 | 102.4 Ų | 102.4 | 31% | 0.312 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -50.8 | 127.5 | -179.1 | 8.1 | -7.4 | 0 | 0 | 0 | 111.8 | V1243 L1253 T1254 | P1241-V1243 PolarHBondContact O-N 3.36Å; P1241-L1253 HydrophobicContact CB-CD1 3.32Å; P1241-L1253 HydrophobicContact CB-CG 3.83Å; P1241-L1253 HydrophobicContact CG-CD1 3.4Å; P1241-L1253 VanDerWaalsContact CG-CD1 3.4Å; P1241-L1253 HydrophobicContact CG-CD2 4.07Å; P1241-L1253 HydrophobicContact CG-CG 3.85Å; P1241-L1253 VanDerWaalsContact O-CD1 3.27Å; P1241-L1253 WeakPolarHBondContact O-CD1 2.04Å; P1241-T1254 WeakPolarHBondContact CB-O 3.34Å |
| 1242 | P | 76.7 | Confident | 65.9 | Low | 58 Ų | 58 | 97.9 Ų | 97.9 | 38% | 0.377 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 127.1 | 178.5 | 16.9 | -18.1 | 0 | 0 | 0 | 111.8 | T1254 | P1242-T1254 PolarHBondContact O-N 3.5Å; P1242-T1254 VanDerWaalsContact O-N 3.12Å |
| 1243 | V | 84.3 | Confident | 69 | Low | 82 Ų | 82 | 93.8 Ų | 93.8 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.2 | 175.7 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | P1241 R1251 I1252 L1253 | P1241-V1243 PolarHBondContact O-N 3.36Å; V1243-R1251 HydrophobicContact CG1-CB 3.97Å; V1243-R1251 HydrophobicContact CG1-CG 4.39Å; V1243-I1252 CarbonylContact C-O 3.54Å; V1243-I1252 VanDerWaalsContact CA-O 3.24Å; V1243-I1252 WeakPolarHBondContact CA-O 1.48Å; V1243-L1253 HydrophobicContact CG2-CD1 3.72Å |
| 1244 | L | 87.5 | Confident | 71.7 | Confident | 4 Ų | 4 | 87.1 Ų | 87.1 | 2% | 0.021 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 138 | 173.3 | -60.5 | 169 | 0 | 0 | 0 | 111.1 | R1251 I1252 Y1263 A1281 L1282 Q1285 | L1244-R1251 CarbonylContact O-C 3.5Å; L1244-R1251 VanDerWaalsContact O-CA 3.29Å; L1244-R1251 WeakPolarHBondContact O-CA 3.34Å; L1244-I1252 WeakPolarHBondContact CA-O 3.48Å; L1244-I1252 HydrophobicContact CB-CB 3.97Å; L1244-I1252 PolarHBondContact N-O 3.24Å; L1244-I1252 WeakPolarHBondContact O-CA 3.17Å; L1244-I1252 WeakPolarHBondContact O-CB 3.49Å; L1244-I1252 PolarHBondContact O-N 3.35Å; L1244-Y1263 HydrophobicContact CD1-CE1 4.47Å; L1244-A1281 HydrophobicContact CB-CB 4.01Å; L1244-L1282 HydrophobicContact CD1-CD1 4.35Å; L1244-L1282 HydrophobicContact CD1-CD2 3.79Å; L1244-L1282 HydrophobicContact CD1-CG 3.52Å; L1244-L1282 HydrophobicContact CD2-CD2 4.47Å; L1244-Q1285 HydrophobicContact CD2-CB 3.96Å; L1244-Q1285 HydrophobicContact CD2-CG 3.98Å; L1244-Q1285 CovalentContact CD2-OE1 1.82Å |
| 1245 | I | 89.3 | Confident | 74.6 | Confident | 95 Ų | 95 | 84 Ų | 84 | 49% | 0.487 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 109.8 | 176.1 | -58.8 | -164.2 | 0 | 0 | 0 | 108.3 | R1250 | I1245-R1250 CarbonylContact C-O 3.27Å; I1245-R1250 VanDerWaalsContact C-O 3.3Å; I1245-R1250 WeakPolarHBondContact CA-O 3.44Å |
| 1246 | G | 87.7 | Confident | 77.3 | Confident | 0 Ų | 0 | 85.6 Ų | 85.6 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -178.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1249 R1250 | G1246-D1249 PolarHBondContact O-N 3.38Å; G1246-R1250 WeakPolarHBondContact CA-O 3.48Å; G1246-R1250 PolarHBondContact N-O 3.06Å; G1246-R1250 PolarHBondContact O-N 3.14Å |
| 1247 | P | 83.8 | Confident | 80 | Confident | 47 Ų | 47 | 80.2 Ų | 80.2 | 31% | 0.305 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -54.7 | 142.9 | 177.3 | -7.4 | 10.9 | 0 | 0 | 0 | 111.9 | D1249 R1250 V1277 T1280 | P1247-D1249 PolarHBondContact O-N 2.88Å; P1247-R1250 VanDerWaalsContact O-CB 3.26Å; P1247-R1250 WeakPolarHBondContact O-CB 3.28Å; P1247-R1250 PolarHBondContact O-N 3.33Å; P1247-V1277 HydrophobicContact CG-CG1 4.19Å; P1247-T1280 HydrophobicContact CG-CG2 4.19Å |
| 1248 | D | 85.8 | Confident | 82.7 | Confident | 123 Ų | 123 | 78.8 Ų | 78.8 | 66% | 0.658 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | 71.2 | 24.4 | -178.2 | -61.8 | -28.1 | 0 | 0 | 0 | 110.8 | R1250 K1267 | D1248-R1250 PolarHBondContact O-N 3.45Å; D1248-K1267 PolarHBondContact O-NZ 3.12Å |
| 1249 | D | 86.9 | Confident | 84.9 | Confident | 121 Ų | 121 | 74 Ų | 74 | 65% | 0.647 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | 62.7 | 27.7 | 177 | -67.2 | -29.6 | 0 | 0 | 0 | 111.3 | G1246 P1247 R1251 | G1246-D1249 PolarHBondContact O-N 3.38Å; P1247-D1249 PolarHBondContact O-N 2.88Å; D1249-R1251 PolarHBondContact O-N 3.4Å |
| 1250 | R | 91.9 | Very high | 86.6 | Confident | 29 Ų | 29 | 75.3 Ų | 75.3 | 11% | 0.109 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 130.8 | 176.5 | -170.2 | -179.9 | -63.7 | -91.6 | -1.2 | 109.8 | I1245 G1246 P1247 D1248 I1252 D1266 K1267 P1268 | I1245-R1250 CarbonylContact C-O 3.27Å; I1245-R1250 VanDerWaalsContact C-O 3.3Å; I1245-R1250 WeakPolarHBondContact CA-O 3.44Å; G1246-R1250 WeakPolarHBondContact CA-O 3.48Å; G1246-R1250 PolarHBondContact N-O 3.06Å; G1246-R1250 PolarHBondContact O-N 3.14Å; P1247-R1250 VanDerWaalsContact O-CB 3.26Å; P1247-R1250 WeakPolarHBondContact O-CB 3.28Å; P1247-R1250 PolarHBondContact O-N 3.33Å; D1248-R1250 PolarHBondContact O-N 3.45Å; R1250-I1252 HydrophobicContact CG-CG1 4.3Å; R1250-D1266 WeakPolarHBondContact CG-OD1 3.42Å; R1250-K1267 HydrophobicContact CG-CB 3.97Å; R1250-K1267 HydrophobicContact CG-CD 4.4Å; R1250-K1267 HydrophobicContact CG-CG 4.38Å; R1250-K1267 VanDerWaalsContact CZ-C 3.48Å; R1250-K1267 PolarHBondContact NH1-O 2.47Å; R1250-K1267 VanDerWaalsContact NH2-CB 3.3Å; R1250-P1268 VanDerWaalsContact NH1-C 3.27Å; R1250-P1268 PolarHBondContact NH1-O 3.03Å; R1250-P1268 PolarHBondContact NH2-O 3.35Å; R1250-P1268 VanDerWaalsContact NH2-O 3.17Å |
| 1251 | R | 93.2 | Very high | 88.3 | Confident | 153 Ų | 153 | 74.1 Ų | 74.1 | 58% | 0.577 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 121.9 | 178.1 | -66.7 | -169 | -73.3 | -104.3 | -0.4 | 110.8 | V1243 L1244 D1249 S1265 D1266 | V1243-R1251 HydrophobicContact CG1-CB 3.97Å; V1243-R1251 HydrophobicContact CG1-CG 4.39Å; L1244-R1251 CarbonylContact O-C 3.5Å; L1244-R1251 VanDerWaalsContact O-CA 3.29Å; L1244-R1251 WeakPolarHBondContact O-CA 3.34Å; D1249-R1251 PolarHBondContact O-N 3.4Å; R1251-S1265 WeakPolarHBondContact O-CA 3.5Å; R1251-D1266 WeakPolarHBondContact CA-OD1 3.33Å; R1251-D1266 PolarHBondContact N-OD1 2.96Å; R1251-D1266 IonicContact NE-OD2 3.89Å; R1251-D1266 IonicContact NH2-OD2 3.95Å; R1251-D1266 PolarHBondContact O-N 2.77Å; R1251-D1266 VanDerWaalsContact O-OD1 3.08Å |
| 1252 | I | 95.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 122.4 | -175.5 | -60.7 | 172.6 | 0 | 0 | 0 | 107.6 | V1243 L1244 R1250 Y1263 E1264 F1269 V1277 V1278 A1281 | V1243-I1252 CarbonylContact C-O 3.54Å; V1243-I1252 VanDerWaalsContact CA-O 3.24Å; V1243-I1252 WeakPolarHBondContact CA-O 1.48Å; L1244-I1252 WeakPolarHBondContact CA-O 3.48Å; L1244-I1252 HydrophobicContact CB-CB 3.97Å; L1244-I1252 PolarHBondContact N-O 3.24Å; L1244-I1252 WeakPolarHBondContact O-CA 3.17Å; L1244-I1252 WeakPolarHBondContact O-CB 3.49Å; L1244-I1252 PolarHBondContact O-N 3.35Å; R1250-I1252 HydrophobicContact CG-CG1 4.3Å; I1252-Y1263 HydrophobicContact CG2-CD1 4.03Å; I1252-Y1263 HydrophobicContact CG2-CG 4.41Å; I1252-E1264 CarbonylContact C-O 3.3Å; I1252-E1264 VanDerWaalsContact CA-O 3.28Å; I1252-E1264 WeakPolarHBondContact CA-O 3.33Å; I1252-F1269 HydrophobicContact CD1-CE1 4.37Å; I1252-F1269 HydrophobicContact CG2-CZ 4.43Å; I1252-V1277 HydrophobicContact CD1-CG1 4.07Å; I1252-V1278 HydrophobicContact CD1-CG2 4.45Å; I1252-A1281 HydrophobicContact CD1-CB 3.68Å |
| 1253 | L | 94 | Very high | 90.7 | Very high | 47 Ų | 47 | 75.8 Ų | 75.8 | 25% | 0.246 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 131.8 | 178.4 | -175 | 63.4 | 0 | 0 | 0 | 109.8 | P1241 V1243 H1255 Y1263 E1264 | P1241-L1253 HydrophobicContact CB-CD1 3.32Å; P1241-L1253 HydrophobicContact CB-CG 3.83Å; P1241-L1253 HydrophobicContact CG-CD1 3.4Å; P1241-L1253 VanDerWaalsContact CG-CD1 3.4Å; P1241-L1253 HydrophobicContact CG-CD2 4.07Å; P1241-L1253 HydrophobicContact CG-CG 3.85Å; P1241-L1253 VanDerWaalsContact O-CD1 3.27Å; P1241-L1253 WeakPolarHBondContact O-CD1 2.04Å; V1243-L1253 HydrophobicContact CG2-CD1 3.72Å; L1253-H1255 WeakPolarHBondContact CD2-CE1 3.25Å; L1253-H1255 WeakPolarHBondContact CD2-NE2 2.99Å; L1253-Y1263 CarbonylContact O-C 3.48Å; L1253-Y1263 WeakPolarHBondContact O-CA 3.45Å; L1253-E1264 WeakPolarHBondContact CA-O 3.45Å; L1253-E1264 HydrophobicContact CB-CB 4.35Å; L1253-E1264 PolarHBondContact N-O 3.47Å; L1253-E1264 PolarHBondContact O-N 2.88Å |
| 1254 | T | 93.5 | Very high | 91.1 | Very high | 4 Ų | 4 | 77.2 Ų | 77.2 | 3% | 0.025 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 0 | -179.3 | -56.2 | 0 | 0 | 0 | 0 | 109.8 | P1241 P1242 Y1256 I1261 I1262 Y1263 | P1241-T1254 WeakPolarHBondContact CB-O 3.34Å; P1242-T1254 PolarHBondContact O-N 3.5Å; P1242-T1254 VanDerWaalsContact O-N 3.12Å; T1254-Y1256 HydrophobicContact CG2-CD2 4.28Å; T1254-Y1256 HydrophobicContact CG2-CE2 3.64Å; T1254-I1261 HydrophobicContact CG2-CG2 3.45Å; T1254-I1261 VanDerWaalsContact CG2-CG2 3.45Å; T1254-I1262 CarbonylContact C-O 3.35Å; T1254-I1262 WeakPolarHBondContact CA-O 3.36Å; T1254-Y1263 HydrophobicContact CG2-CD1 4.09Å; T1254-Y1263 HydrophobicContact CG2-CE1 3.72Å; T1254-Y1263 WeakPolarHBondContact OG1-CD1 2.26Å; T1254-Y1263 WeakPolarHBondContact OG1-CE1 3.33Å |
| 1255 | H | 93.1 | Very high | 91.4 | Very high | 44 Ų | 44 | 78.1 Ų | 78.1 | 20% | 0.204 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | | 0 | 133.4 | 0 | -58.4 | -79.4 | 0 | 0 | 0 | 109 | L1253 I1257 I1261 I1262 E1264 | L1253-H1255 WeakPolarHBondContact CD2-CE1 3.25Å; L1253-H1255 WeakPolarHBondContact CD2-NE2 2.99Å; H1255-I1257 HydrophobicContact CB-CD1 4.07Å; H1255-I1257 HydrophobicContact CB-CG1 4.15Å; H1255-I1261 CarbonylContact O-C 3.32Å; H1255-I1261 WeakPolarHBondContact O-CA 2.71Å; H1255-I1262 WeakPolarHBondContact CA-O 3.41Å; H1255-I1262 HydrophobicContact CB-CB 3.94Å; H1255-I1262 PolarHBondContact N-O 3.27Å; H1255-I1262 PolarHBondContact O-N 3.49Å; H1255-E1264 IonicContact CD2-OE2 3.69Å; H1255-E1264 IonicContact CE1-OE2 3.71Å; H1255-E1264 IonicContact NE2-OE2 2.79Å; H1255-E1264 PolarHBondContact NE2-OE2 3.31Å |
| 1256 | Y | 93.4 | Very high | 91.6 | Very high | 157 Ų | 157 | 77.2 Ų | 77.2 | 62% | 0.616 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 103.5 | 172.6 | -67.8 | -93.7 | 0 | 0 | 0 | 109.3 | T1254 H1260 I1261 | T1254-Y1256 HydrophobicContact CG2-CD2 4.28Å; T1254-Y1256 HydrophobicContact CG2-CE2 3.64Å; Y1256-H1260 CarbonylContact C-O 1.96Å; Y1256-H1260 WeakPolarHBondContact CA-O 3.28Å; Y1256-I1261 HydrophobicContact CD1-CD1 4.31Å; Y1256-I1261 HydrophobicContact CD1-CG1 3.63Å; Y1256-I1261 HydrophobicContact CE1-CD1 3.68Å; Y1256-I1261 HydrophobicContact CE1-CG1 3.49Å; Y1256-I1261 VanDerWaalsContact CE1-CG1 3.49Å; Y1256-I1261 HydrophobicContact CE1-CG2 4.38Å |
| 1257 | I | 93 | Very high | 91.9 | Very high | 86 Ų | 86 | 81.1 Ų | 81.1 | 44% | 0.441 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 118.8 | -178.1 | -58.4 | 168.5 | 0 | 0 | 0 | 108.4 | H1255 G1259 H1260 I1262 | H1255-I1257 HydrophobicContact CB-CD1 4.07Å; H1255-I1257 HydrophobicContact CB-CG1 4.15Å; I1257-G1259 VanDerWaalsContact C-N 3.27Å; I1257-G1259 PolarHBondContact O-N 3.07Å; I1257-H1260 PolarHBondContact N-O 3.28Å; I1257-H1260 WeakPolarHBondContact O-CA 3.18Å; I1257-H1260 WeakPolarHBondContact O-CB 3.39Å; I1257-H1260 PolarHBondContact O-N 3.2Å; I1257-I1262 HydrophobicContact CD1-CD1 3.6Å; I1257-I1262 HydrophobicContact CG1-CD1 4.46Å |
| 1258 | D | 91.9 | Very high | 92.2 | Very high | 155 Ų | 155 | 84.4 Ų | 84.4 | 83% | 0.829 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 0 | 173.9 | -74.5 | -15.5 | 0 | 0 | 0 | 110.9 | H1260 | D1258-H1260 PolarHBondContact O-N 2.59Å; D1258-H1260 PolarHBondContact O-ND1 2.76Å; D1258-H1260 VanDerWaalsContact O-ND1 3.15Å |
| 1259 | G | 88.3 | Confident | 92.6 | Very high | 85 Ų | 85 | 81.5 Ų | 81.5 | 88% | 0.876 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1257 | I1257-G1259 VanDerWaalsContact C-N 3.27Å; I1257-G1259 PolarHBondContact O-N 3.07Å |
| 1260 | H | 89.9 | Confident | 92.7 | Very high | 132 Ų | 132 | 78.8 Ų | 78.8 | 61% | 0.611 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | | 0 | 141.7 | 0 | -67.8 | 80.9 | 0 | 0 | 0 | 109.4 | Y1256 I1257 D1258 | Y1256-H1260 CarbonylContact C-O 1.96Å; Y1256-H1260 WeakPolarHBondContact CA-O 3.28Å; I1257-H1260 PolarHBondContact N-O 3.28Å; I1257-H1260 WeakPolarHBondContact O-CA 3.18Å; I1257-H1260 WeakPolarHBondContact O-CB 3.39Å; I1257-H1260 PolarHBondContact O-N 3.2Å; D1258-H1260 PolarHBondContact O-N 2.59Å; D1258-H1260 PolarHBondContact O-ND1 2.76Å; D1258-H1260 VanDerWaalsContact O-ND1 3.15Å |
| 1261 | I | 92.3 | Very high | 92.4 | Very high | 87 Ų | 87 | 84.7 Ų | 84.7 | 45% | 0.446 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 118.4 | 176 | -58.9 | 172.5 | 0 | 0 | 0 | 108.3 | T1254 H1255 Y1256 Y1263 | T1254-I1261 HydrophobicContact CG2-CG2 3.45Å; T1254-I1261 VanDerWaalsContact CG2-CG2 3.45Å; H1255-I1261 CarbonylContact O-C 3.32Å; H1255-I1261 WeakPolarHBondContact O-CA 2.71Å; Y1256-I1261 HydrophobicContact CD1-CD1 4.31Å; Y1256-I1261 HydrophobicContact CD1-CG1 3.63Å; Y1256-I1261 HydrophobicContact CE1-CD1 3.68Å; Y1256-I1261 HydrophobicContact CE1-CG1 3.49Å; Y1256-I1261 VanDerWaalsContact CE1-CG1 3.49Å; Y1256-I1261 HydrophobicContact CE1-CG2 4.38Å; I1261-Y1263 HydrophobicContact CG2-CD2 4.44Å; I1261-Y1263 HydrophobicContact CG2-CE1 4.05Å; I1261-Y1263 HydrophobicContact CG2-CE2 3.83Å |
| 1262 | I | 94.1 | Very high | 92.1 | Very high | 83 Ų | 83 | 85.6 Ų | 85.6 | 43% | 0.426 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 0 | 177 | -60.7 | 175.1 | 0 | 0 | 0 | 109.2 | T1254 H1255 I1257 | T1254-I1262 CarbonylContact C-O 3.35Å; T1254-I1262 WeakPolarHBondContact CA-O 3.36Å; H1255-I1262 WeakPolarHBondContact CA-O 3.41Å; H1255-I1262 HydrophobicContact CB-CB 3.94Å; H1255-I1262 PolarHBondContact N-O 3.27Å; H1255-I1262 PolarHBondContact O-N 3.49Å; I1257-I1262 HydrophobicContact CD1-CD1 3.6Å; I1257-I1262 HydrophobicContact CG1-CD1 4.46Å |
| 1263 | Y | 94.5 | Very high | 91.7 | Very high | 58 Ų | 58 | 91 Ų | 91 | 23% | 0.227 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | | 0 | 120 | 0 | -63.8 | -76.3 | 0 | 0 | 0 | 109.7 | L1244 I1252 L1253 T1254 I1261 M1275 V1278 | L1244-Y1263 HydrophobicContact CD1-CE1 4.47Å; I1252-Y1263 HydrophobicContact CG2-CD1 4.03Å; I1252-Y1263 HydrophobicContact CG2-CG 4.41Å; L1253-Y1263 CarbonylContact O-C 3.48Å; L1253-Y1263 WeakPolarHBondContact O-CA 3.45Å; T1254-Y1263 HydrophobicContact CG2-CD1 4.09Å; T1254-Y1263 HydrophobicContact CG2-CE1 3.72Å; T1254-Y1263 WeakPolarHBondContact OG1-CD1 2.26Å; T1254-Y1263 WeakPolarHBondContact OG1-CE1 3.33Å; I1261-Y1263 HydrophobicContact CG2-CD2 4.44Å; I1261-Y1263 HydrophobicContact CG2-CE1 4.05Å; I1261-Y1263 HydrophobicContact CG2-CE2 3.83Å; Y1263-M1275 HydrophobicContact CE2-SD 4.4Å; Y1263-V1278 HydrophobicContact CD1-CG1 3.72Å; Y1263-V1278 HydrophobicContact CD2-CG1 3.84Å; Y1263-V1278 HydrophobicContact CD2-CG2 4.23Å; Y1263-V1278 HydrophobicContact CE1-CG1 3.64Å; Y1263-V1278 HydrophobicContact CE2-CG1 3.75Å; Y1263-V1278 HydrophobicContact CG-CG1 3.82Å; Y1263-V1278 HydrophobicContact CG-CG2 4.06Å |
| 1264 | E | 94.2 | Very high | 91.5 | Very high | 111 Ų | 111 | 89.7 Ų | 89.7 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.4 | 176.4 | -174.5 | 179.2 | 172.2 | 0 | 0 | 110.8 | I1252 L1253 H1255 | I1252-E1264 CarbonylContact C-O 3.3Å; I1252-E1264 VanDerWaalsContact CA-O 3.28Å; I1252-E1264 WeakPolarHBondContact CA-O 3.33Å; L1253-E1264 WeakPolarHBondContact CA-O 3.45Å; L1253-E1264 HydrophobicContact CB-CB 4.35Å; L1253-E1264 PolarHBondContact N-O 3.47Å; L1253-E1264 PolarHBondContact O-N 2.88Å; H1255-E1264 IonicContact CD2-OE2 3.69Å; H1255-E1264 IonicContact CE1-OE2 3.71Å; H1255-E1264 IonicContact NE2-OE2 2.79Å; H1255-E1264 PolarHBondContact NE2-OE2 3.31Å |
| 1265 | S | 93.4 | Very high | 91.5 | Very high | 24 Ų | 24 | 94.5 Ų | 94.5 | 17% | 0.168 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 0 | -178.2 | 73.5 | 0 | 0 | 0 | 0 | 110 | R1251 K1267 F1269 | R1251-S1265 WeakPolarHBondContact O-CA 3.5Å; S1265-K1267 VanDerWaalsContact CB-O 3.26Å; S1265-K1267 WeakPolarHBondContact CB-O 3.3Å; S1265-K1267 PolarHBondContact O-N 3.07Å; S1265-K1267 PolarHBondContact OG-O 2.47Å; S1265-F1269 WeakPolarHBondContact OG-CE2 3.24Å |
| 1266 | D | 94.3 | Very high | 91.4 | Very high | 75 Ų | 75 | 96.5 Ų | 96.5 | 40% | 0.401 | 51% | 0.514 | S | S | . | . | S | Bend | | 0 | -5.5 | 0 | 58.3 | -31.4 | 0 | 0 | 0 | 111.3 | R1250 R1251 | R1250-D1266 WeakPolarHBondContact CG-OD1 3.42Å; R1251-D1266 WeakPolarHBondContact CA-OD1 3.33Å; R1251-D1266 PolarHBondContact N-OD1 2.96Å; R1251-D1266 IonicContact NE-OD2 3.89Å; R1251-D1266 IonicContact NH2-OD2 3.95Å; R1251-D1266 PolarHBondContact O-N 2.77Å; R1251-D1266 VanDerWaalsContact O-OD1 3.08Å |
| 1267 | K | 92.2 | Very high | 91.3 | Very high | 82 Ų | 82 | 90 Ų | 90 | 36% | 0.357 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -130.6 | 144.3 | 173.7 | -62.9 | 177.8 | -174.6 | -177.2 | 0 | 109.6 | D1248 R1250 S1265 F1269 | D1248-K1267 PolarHBondContact O-NZ 3.12Å; R1250-K1267 HydrophobicContact CG-CB 3.97Å; R1250-K1267 HydrophobicContact CG-CD 4.4Å; R1250-K1267 HydrophobicContact CG-CG 4.38Å; R1250-K1267 VanDerWaalsContact CZ-C 3.48Å; R1250-K1267 PolarHBondContact NH1-O 2.47Å; R1250-K1267 VanDerWaalsContact NH2-CB 3.3Å; S1265-K1267 VanDerWaalsContact CB-O 3.26Å; S1265-K1267 WeakPolarHBondContact CB-O 3.3Å; S1265-K1267 PolarHBondContact O-N 3.07Å; S1265-K1267 PolarHBondContact OG-O 2.47Å; K1267-F1269 PolarHBondContact O-N 3.28Å |
| 1268 | P | 92 | Very high | 91.4 | Very high | 116 Ų | 116 | 86 Ų | 86 | 75% | 0.753 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 0 | -178.4 | -13.1 | 16.8 | 0 | 0 | 0 | 111.5 | R1250 | R1250-P1268 VanDerWaalsContact NH1-C 3.27Å; R1250-P1268 PolarHBondContact NH1-O 3.03Å; R1250-P1268 PolarHBondContact NH2-O 3.35Å; R1250-P1268 VanDerWaalsContact NH2-O 3.17Å |
| 1269 | F | 94.2 | Very high | 91.4 | Very high | 63 Ų | 63 | 83.2 Ų | 83.2 | 28% | 0.276 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | | 0 | 141 | 0 | -74.3 | -77.1 | 0 | 0 | 0 | 110 | I1252 S1265 K1267 V1271 V1277 V1278 | I1252-F1269 HydrophobicContact CD1-CE1 4.37Å; I1252-F1269 HydrophobicContact CG2-CZ 4.43Å; S1265-F1269 WeakPolarHBondContact OG-CE2 3.24Å; K1267-F1269 PolarHBondContact O-N 3.28Å; F1269-V1271 PolarHBondContact O-N 3.18Å; F1269-V1277 HydrophobicContact CD1-CB 4.2Å; F1269-V1277 HydrophobicContact CD1-CG1 4.42Å; F1269-V1277 HydrophobicContact CE1-CB 4.33Å; F1269-V1277 HydrophobicContact CE1-CG1 4.27Å; F1269-V1278 HydrophobicContact CE1-CG2 3.64Å; F1269-V1278 HydrophobicContact CZ-CG2 3.96Å |
| 1270 | P | 88.9 | Confident | 91.5 | Very high | 64 Ų | 64 | 82.2 Ų | 82.2 | 42% | 0.416 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -49.5 | 147.2 | 171.5 | -16.3 | 22.2 | 0 | 0 | 0 | 111.7 | K1272 V1277 | P1270-K1272 PolarHBondContact O-N 2.63Å; P1270-V1277 HydrophobicContact CG-CG2 3.9Å |
| 1271 | V | 84.5 | Confident | 91.6 | Very high | 153 Ų | 153 | 76 Ų | 76 | 93% | 0.927 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -66 | -25.2 | -172 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | F1269 | F1269-V1271 PolarHBondContact O-N 3.18Š|
| 1272 | K | 87.9 | Confident | 91.6 | Very high | 171 Ų | 171 | 74.4 Ų | 74.4 | 74% | 0.743 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -124.8 | 128.6 | 175.8 | -65.2 | -178.4 | -177.7 | -179.9 | 0 | 109.6 | P1270 G1274 | P1270-K1272 PolarHBondContact O-N 2.63Å; K1272-G1274 PolarHBondContact O-N 2.79Å |
| 1273 | N | 86.7 | Confident | 91.2 | Very high | 115 Ų | 115 | 76.2 Ų | 76.2 | 62% | 0.615 | 40% | 0.401 | S | S | * | . | | | trans | 80.1 | 32.4 | 170.6 | -63.2 | -16.2 | 0 | 0 | 0 | 111.1 | M1275 I1276 | N1273-M1275 PolarHBondContact O-N 3.24Å; N1273-I1276 HydrophobicContact CB-CB 4.33Å; N1273-I1276 HydrophobicContact CB-CD1 3.34Å; N1273-I1276 HydrophobicContact CB-CG1 3.89Å; N1273-I1276 VanDerWaalsContact O-CB 3.31Å; N1273-I1276 WeakPolarHBondContact O-CB 3.44Å; N1273-I1276 PolarHBondContact O-N 3.27Å; N1273-I1276 VanDerWaalsContact O-N 3.07Å |
| 1274 | G | 90 | Very high | 90.7 | Very high | 19 Ų | 19 | 78.6 Ų | 78.6 | 20% | 0.196 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -55.4 | -27.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | K1272 I1276 V1277 V1278 | K1272-G1274 PolarHBondContact O-N 2.79Å; G1274-I1276 PolarHBondContact O-N 2.62Å; G1274-V1277 VanDerWaalsContact O-CB 3.3Å; G1274-V1277 WeakPolarHBondContact O-CB 3.4Å; G1274-V1277 PolarHBondContact O-N 2.49Å; G1274-V1278 PolarHBondContact O-N 3.15Å |
| 1275 | M | 91.9 | Very high | 89.7 | Confident | 104 Ų | 104 | 77.3 Ų | 77.3 | 51% | 0.512 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -71.6 | -25.2 | -177.6 | -171.5 | 61.7 | 65.9 | 0 | 0 | 110.8 | Y1263 N1273 V1277 V1278 E1279 | Y1263-M1275 HydrophobicContact CE2-SD 4.4Å; N1273-M1275 PolarHBondContact O-N 3.24Å; M1275-V1277 PolarHBondContact O-N 2.32Å; M1275-V1278 CarbonylContact O-C 3.49Å; M1275-V1278 WeakPolarHBondContact O-CB 3.15Å; M1275-V1278 PolarHBondContact O-N 3.26Å; M1275-V1278 HydrophobicContact SD-CB 4Å; M1275-V1278 HydrophobicContact SD-CG1 4.26Å; M1275-V1278 HydrophobicContact SD-CG2 4.44Å; M1275-E1279 HydrophobicContact CG-CG 4.16Å; M1275-E1279 WeakPolarHBondContact O-CB 3.06Å; M1275-E1279 VanDerWaalsContact O-CG 3.31Å; M1275-E1279 WeakPolarHBondContact O-CG 3.29Å; M1275-E1279 PolarHBondContact O-N 3.25Å |
| 1276 | I | 91.3 | Very high | 88.4 | Confident | 86 Ų | 86 | 82.5 Ų | 82.5 | 44% | 0.441 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.1 | -35 | 178.1 | -70.1 | 177.3 | 0 | 0 | 0 | 109.8 | N1273 G1274 V1278 E1279 T1280 | N1273-I1276 HydrophobicContact CB-CB 4.33Å; N1273-I1276 HydrophobicContact CB-CD1 3.34Å; N1273-I1276 HydrophobicContact CB-CG1 3.89Å; N1273-I1276 VanDerWaalsContact O-CB 3.31Å; N1273-I1276 WeakPolarHBondContact O-CB 3.44Å; N1273-I1276 PolarHBondContact O-N 3.27Å; N1273-I1276 VanDerWaalsContact O-N 3.07Å; G1274-I1276 PolarHBondContact O-N 2.62Å; I1276-V1278 PolarHBondContact O-N 3.22Å; I1276-E1279 PolarHBondContact O-N 2.69Å; I1276-T1280 VanDerWaalsContact O-CB 3.32Å; I1276-T1280 WeakPolarHBondContact O-CB 3.32Å; I1276-T1280 PolarHBondContact O-N 3.1Å; I1276-T1280 PolarHBondContact O-OG1 2.51Å |
| 1277 | V | 92.7 | Very high | 86.7 | Confident | 20 Ų | 20 | 81.9 Ų | 81.9 | 12% | 0.121 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 178.4 | 176.1 | 0 | 0 | 0 | 0 | 109.7 | P1247 I1252 F1269 P1270 G1274 M1275 E1279 T1280 A1281 | P1247-V1277 HydrophobicContact CG-CG1 4.19Å; I1252-V1277 HydrophobicContact CD1-CG1 4.07Å; F1269-V1277 HydrophobicContact CD1-CB 4.2Å; F1269-V1277 HydrophobicContact CD1-CG1 4.42Å; F1269-V1277 HydrophobicContact CE1-CB 4.33Å; F1269-V1277 HydrophobicContact CE1-CG1 4.27Å; P1270-V1277 HydrophobicContact CG-CG2 3.9Å; G1274-V1277 VanDerWaalsContact O-CB 3.3Å; G1274-V1277 WeakPolarHBondContact O-CB 3.4Å; G1274-V1277 PolarHBondContact O-N 2.49Å; M1275-V1277 PolarHBondContact O-N 2.32Å; V1277-E1279 VanDerWaalsContact C-N 3.27Å; V1277-E1279 PolarHBondContact O-N 3.37Å; V1277-T1280 PolarHBondContact O-N 3.31Å; V1277-A1281 WeakPolarHBondContact O-CB 3.39Å; V1277-A1281 PolarHBondContact O-N 3.39Å |
| 1278 | V | 93.6 | Very high | 84.4 | Confident | 4 Ų | 4 | 81.4 Ų | 81.4 | 2% | 0.024 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -69.4 | -41.5 | -179.6 | 175.3 | 0 | 0 | 0 | 0 | 109.6 | I1252 Y1263 F1269 G1274 M1275 I1276 T1280 A1281 L1282 | I1252-V1278 HydrophobicContact CD1-CG2 4.45Å; Y1263-V1278 HydrophobicContact CD1-CG1 3.72Å; Y1263-V1278 HydrophobicContact CD2-CG1 3.84Å; Y1263-V1278 HydrophobicContact CD2-CG2 4.23Å; Y1263-V1278 HydrophobicContact CE1-CG1 3.64Å; Y1263-V1278 HydrophobicContact CE2-CG1 3.75Å; Y1263-V1278 HydrophobicContact CG-CG1 3.82Å; Y1263-V1278 HydrophobicContact CG-CG2 4.06Å; F1269-V1278 HydrophobicContact CE1-CG2 3.64Å; F1269-V1278 HydrophobicContact CZ-CG2 3.96Å; G1274-V1278 PolarHBondContact O-N 3.15Å; M1275-V1278 CarbonylContact O-C 3.49Å; M1275-V1278 WeakPolarHBondContact O-CB 3.15Å; M1275-V1278 PolarHBondContact O-N 3.26Å; M1275-V1278 HydrophobicContact SD-CB 4Å; M1275-V1278 HydrophobicContact SD-CG1 4.26Å; M1275-V1278 HydrophobicContact SD-CG2 4.44Å; I1276-V1278 PolarHBondContact O-N 3.22Å; V1278-T1280 PolarHBondContact O-N 2.95Å; V1278-A1281 CarbonylContact O-C 3.34Å; V1278-A1281 WeakPolarHBondContact O-CB 3.11Å; V1278-A1281 PolarHBondContact O-N 3.24Å; V1278-L1282 HydrophobicContact CG1-CD1 3.52Å; V1278-L1282 HydrophobicContact CG1-CG 4.47Å; V1278-L1282 WeakPolarHBondContact O-CB 3.33Å; V1278-L1282 WeakPolarHBondContact O-CD1 3.32Å; V1278-L1282 PolarHBondContact O-N 3.31Å |
| 1279 | E | 92.8 | Very high | 82.2 | Confident | 96 Ų | 96 | 82.4 Ų | 82.4 | 45% | 0.449 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | -179.3 | -78.6 | -179.1 | -177.4 | 0 | 0 | 111.3 | M1275 I1276 V1277 A1281 L1282 M1283 | M1275-E1279 HydrophobicContact CG-CG 4.16Å; M1275-E1279 WeakPolarHBondContact O-CB 3.06Å; M1275-E1279 VanDerWaalsContact O-CG 3.31Å; M1275-E1279 WeakPolarHBondContact O-CG 3.29Å; M1275-E1279 PolarHBondContact O-N 3.25Å; I1276-E1279 PolarHBondContact O-N 2.69Å; V1277-E1279 VanDerWaalsContact C-N 3.27Å; V1277-E1279 PolarHBondContact O-N 3.37Å; E1279-A1281 PolarHBondContact O-N 3.21Å; E1279-L1282 PolarHBondContact O-N 3.2Å; E1279-L1282 VanDerWaalsContact O-N 3.14Å; E1279-M1283 WeakPolarHBondContact O-CB 3.11Å; E1279-M1283 WeakPolarHBondContact O-CG 3.35Å; E1279-M1283 PolarHBondContact O-N 3.45Å |
| 1280 | T | 91 | Very high | 79.9 | Confident | 63 Ų | 63 | 84.8 Ų | 84.8 | 39% | 0.387 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.3 | -36.5 | -179.5 | -54.7 | 0 | 0 | 0 | 0 | 110.2 | P1247 I1276 V1277 V1278 L1282 M1283 K1284 | P1247-T1280 HydrophobicContact CG-CG2 4.19Å; I1276-T1280 VanDerWaalsContact O-CB 3.32Å; I1276-T1280 WeakPolarHBondContact O-CB 3.32Å; I1276-T1280 PolarHBondContact O-N 3.1Å; I1276-T1280 PolarHBondContact O-OG1 2.51Å; V1277-T1280 PolarHBondContact O-N 3.31Å; V1278-T1280 PolarHBondContact O-N 2.95Å; T1280-L1282 PolarHBondContact O-N 2.79Å; T1280-M1283 PolarHBondContact O-N 3.26Å; T1280-K1284 WeakPolarHBondContact O-CB 3.49Å; T1280-K1284 PolarHBondContact O-N 2.75Å |
| 1281 | A | 91.9 | Very high | 77.2 | Confident | 1 Ų | 1 | 86.7 Ų | 86.7 | 1% | 0.008 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -69.3 | -32.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L1244 I1252 V1277 V1278 E1279 M1283 K1284 Q1285 | L1244-A1281 HydrophobicContact CB-CB 4.01Å; I1252-A1281 HydrophobicContact CD1-CB 3.68Å; V1277-A1281 WeakPolarHBondContact O-CB 3.39Å; V1277-A1281 PolarHBondContact O-N 3.39Å; V1278-A1281 CarbonylContact O-C 3.34Å; V1278-A1281 WeakPolarHBondContact O-CB 3.11Å; V1278-A1281 PolarHBondContact O-N 3.24Å; E1279-A1281 PolarHBondContact O-N 3.21Å; A1281-M1283 PolarHBondContact O-N 3.38Å; A1281-K1284 PolarHBondContact O-N 3.04Å; A1281-Q1285 PolarHBondContact O-N 3.35Å |
| 1282 | L | 90.8 | Very high | 74.6 | Confident | 54 Ų | 54 | 84.2 Ų | 84.2 | 28% | 0.283 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.3 | -37.4 | -179.1 | -86.2 | 147.8 | 0 | 0 | 0 | 110.3 | L1244 V1278 E1279 T1280 K1284 Q1285 Q1286 | L1244-L1282 HydrophobicContact CD1-CD1 4.35Å; L1244-L1282 HydrophobicContact CD1-CD2 3.79Å; L1244-L1282 HydrophobicContact CD1-CG 3.52Å; L1244-L1282 HydrophobicContact CD2-CD2 4.47Å; V1278-L1282 HydrophobicContact CG1-CD1 3.52Å; V1278-L1282 HydrophobicContact CG1-CG 4.47Å; V1278-L1282 WeakPolarHBondContact O-CB 3.33Å; V1278-L1282 WeakPolarHBondContact O-CD1 3.32Å; V1278-L1282 PolarHBondContact O-N 3.31Å; E1279-L1282 PolarHBondContact O-N 3.2Å; E1279-L1282 VanDerWaalsContact O-N 3.14Å; T1280-L1282 PolarHBondContact O-N 2.79Å; L1282-K1284 PolarHBondContact O-N 3.4Å; L1282-Q1285 WeakPolarHBondContact O-CB 3.45Å; L1282-Q1285 PolarHBondContact O-N 3.36Å; L1282-Q1286 WeakPolarHBondContact O-CG 3.41Å; L1282-Q1286 PolarHBondContact O-N 3.38Å; L1282-Q1286 VanDerWaalsContact O-N 3.07Å |
| 1283 | M | 87.1 | Confident | 71.9 | Confident | 121 Ų | 121 | 81.3 Ų | 81.3 | 60% | 0.596 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -67.3 | -36.6 | 178.3 | -73.7 | 169.2 | 171.8 | 0 | 0 | 111 | E1279 T1280 A1281 Q1285 Q1286 S1287 | E1279-M1283 WeakPolarHBondContact O-CB 3.11Å; E1279-M1283 WeakPolarHBondContact O-CG 3.35Å; E1279-M1283 PolarHBondContact O-N 3.45Å; T1280-M1283 PolarHBondContact O-N 3.26Å; A1281-M1283 PolarHBondContact O-N 3.38Å; M1283-Q1285 PolarHBondContact O-N 3.47Å; M1283-Q1286 WeakPolarHBondContact O-CB 3.19Å; M1283-Q1286 PolarHBondContact O-N 3.2Å; M1283-S1287 PolarHBondContact O-N 3.07Å |
| 1284 | K | 83.4 | Confident | 69.2 | Low | 109 Ų | 109 | 84 Ų | 84 | 47% | 0.474 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.7 | -32.7 | 179.9 | -166.5 | 172.1 | 177.6 | -178.1 | 0 | 111 | T1280 A1281 L1282 Q1286 S1287 C1288 | T1280-K1284 WeakPolarHBondContact O-CB 3.49Å; T1280-K1284 PolarHBondContact O-N 2.75Å; A1281-K1284 PolarHBondContact O-N 3.04Å; L1282-K1284 PolarHBondContact O-N 3.4Å; K1284-Q1286 PolarHBondContact O-N 3.2Å; K1284-S1287 WeakPolarHBondContact CA-OG 3.4Å; K1284-S1287 PolarHBondContact O-N 2.97Å; K1284-S1287 VanDerWaalsContact O-N 3.16Å; K1284-S1287 PolarHBondContact O-OG 2.92Å; K1284-C1288 PolarHBondContact O-N 3.35Å; K1284-C1288 VanDerWaalsContact O-N 3.11Å; K1284-C1288 PolarHBondContact O-SG 3.07Å |
| 1285 | Q | 73.5 | Confident | 66.3 | Low | 84 Ų | 84 | 88.6 Ų | 88.6 | 39% | 0.393 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.3 | -27.8 | 178.3 | -157 | -178.9 | -23.3 | 0 | 0 | 110.7 | L1244 A1281 L1282 M1283 S1287 | L1244-Q1285 HydrophobicContact CD2-CB 3.96Å; L1244-Q1285 HydrophobicContact CD2-CG 3.98Å; L1244-Q1285 CovalentContact CD2-OE1 1.82Å; A1281-Q1285 PolarHBondContact O-N 3.35Å; L1282-Q1285 WeakPolarHBondContact O-CB 3.45Å; L1282-Q1285 PolarHBondContact O-N 3.36Å; M1283-Q1285 PolarHBondContact O-N 3.47Å; Q1285-S1287 VanDerWaalsContact C-N 3.29Å |
| 1286 | Q | 65.2 | Low | 63.5 | Low | 132 Ų | 132 | 89.6 Ų | 89.6 | 62% | 0.617 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -79.5 | -22.5 | -179.3 | -76 | 178.6 | 12.4 | 0 | 0 | 111 | L1282 M1283 K1284 L1289 V1290 | L1282-Q1286 WeakPolarHBondContact O-CG 3.41Å; L1282-Q1286 PolarHBondContact O-N 3.38Å; L1282-Q1286 VanDerWaalsContact O-N 3.07Å; M1283-Q1286 WeakPolarHBondContact O-CB 3.19Å; M1283-Q1286 PolarHBondContact O-N 3.2Å; K1284-Q1286 PolarHBondContact O-N 3.2Å; Q1286-L1289 PolarHBondContact O-N 3.16Å; Q1286-V1290 WeakPolarHBondContact O-CG2 3.45Å |
| 1287 | S | 58.3 | Low | 60.7 | Low | 63 Ų | 63 | 93.2 Ų | 93.2 | 44% | 0.441 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -85 | -18.2 | 179.4 | 67 | 0 | 0 | 0 | 0 | 111 | M1283 K1284 Q1285 L1289 V1290 S1291 | M1283-S1287 PolarHBondContact O-N 3.07Å; K1284-S1287 WeakPolarHBondContact CA-OG 3.4Å; K1284-S1287 PolarHBondContact O-N 2.97Å; K1284-S1287 VanDerWaalsContact O-N 3.16Å; K1284-S1287 PolarHBondContact O-OG 2.92Å; Q1285-S1287 VanDerWaalsContact C-N 3.29Å; S1287-L1289 PolarHBondContact O-N 2.63Å; S1287-V1290 PolarHBondContact O-N 2.8Å; S1287-S1291 PolarHBondContact O-N 3.37Å; S1287-S1291 PolarHBondContact O-OG 2.39Å |
| 1288 | C | 44.5 | Very low | 57.7 | Low | 71 Ų | 71 | 100.5 Ų | 100.5 | 48% | 0.48 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -85.5 | -7.6 | 175.8 | -29.7 | 0 | 0 | 0 | 0 | 109.8 | K1284 V1290 | K1284-C1288 PolarHBondContact O-N 3.35Å; K1284-C1288 VanDerWaalsContact O-N 3.11Å; K1284-C1288 PolarHBondContact O-SG 3.07Å; C1288-V1290 PolarHBondContact O-N 3.45Å |
| 1289 | L | 45.7 | Very low | 54.6 | Low | 138 Ų | 138 | 106 Ų | 106 | 72% | 0.723 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -93.8 | -1.3 | 172.4 | -91.8 | 152.9 | 0 | 0 | 0 | 110.6 | Q1286 S1287 | Q1286-L1289 PolarHBondContact O-N 3.16Å; S1287-L1289 PolarHBondContact O-N 2.63Å |
| 1290 | V | 45.4 | Very low | 51.6 | Low | 113 Ų | 113 | 109.5 Ų | 109.5 | 69% | 0.685 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -116.8 | 16.8 | 176 | 179.8 | 0 | 0 | 0 | 0 | 109 | Q1286 S1287 C1288 | Q1286-V1290 WeakPolarHBondContact O-CG2 3.45Å; S1287-V1290 PolarHBondContact O-N 2.8Å; C1288-V1290 PolarHBondContact O-N 3.45Å |
| 1291 | S | 33.3 | Very low | 48.7 | Very low | 103 Ų | 103 | 112.4 Ų | 112.4 | 72% | 0.72 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -135.4 | 0 | 176.6 | -68.5 | 0 | 0 | 0 | 0 | 109.3 | S1287 | S1287-S1291 PolarHBondContact O-N 3.37Å; S1287-S1291 PolarHBondContact O-OG 2.39Å |
| 1292 | S | 29.5 | Very low | 45.8 | Very low | 102 Ų | 102 | 119.5 Ų | 119.5 | 71% | 0.713 | 66% | 0.659 | S | S | * | * | S | Bend | | 0 | 53.7 | 0 | -82.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1293 | T | 30.7 | Very low | 42.9 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | | | trans | -139.5 | 74.6 | 155.7 | 53.8 | 0 | 0 | 0 | 0 | 109 | | |
| 1294 | N | 31.2 | Very low | 40.3 | Very low | 172 Ų | 172 | 121 Ų | 121 | 92% | 0.92 | 68% | 0.684 | S | S | * | * | | | trans | -136.9 | 86.7 | 148.8 | -80.6 | -31 | 0 | 0 | 0 | 109.7 | | |
| 1295 | S | 29.1 | Very low | 37.7 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | | | trans | -88.3 | 132.3 | 137.6 | 37.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1296 | P | 32.9 | Very low | 35.7 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 81% | 0.805 | 72% | 0.721 | S | S | * | * | | | trans | -85.4 | 0 | -178.3 | 33.5 | -4.7 | 0 | 0 | 0 | 111.7 | | |
| 1297 | L | 31.4 | Very low | 34.1 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | | | | 0 | 0 | 0 | -90.9 | 177.3 | 0 | 0 | 0 | 109.2 | | |
| 1298 | K | 30.5 | Very low | 32.9 | Very low | 172 Ų | 172 | 131.5 Ų | 131.5 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | | | | 0 | 88.1 | 0 | -120.4 | 175.8 | -174.7 | -176.2 | 0 | 109.6 | F1300 | K1298-F1300 HydrophobicContact CD-CE2 4.11Š|
| 1299 | T | 28.7 | Very low | 32.4 | Very low | 121 Ų | 121 | 135 Ų | 135 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | trans | -28.2 | 95.6 | 132.9 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | L1301 | T1299-L1301 HydrophobicContact CG2-CB 4.18Å; T1299-L1301 HydrophobicContact CG2-CD1 3.99Å |
| 1300 | F | 29 | Very low | 31.5 | Very low | 169 Ų | 169 | 137 Ų | 137 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | | | trans | -92.7 | 86 | 140.9 | -87.3 | -79.8 | 0 | 0 | 0 | 109.7 | K1298 | K1298-F1300 HydrophobicContact CD-CE2 4.11Š|
| 1301 | L | 29.6 | Very low | 30.9 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | | | trans | -73.9 | 111.5 | 139.9 | -100.1 | 137 | 0 | 0 | 0 | 109.5 | T1299 N1303 | T1299-L1301 HydrophobicContact CG2-CB 4.18Å; T1299-L1301 HydrophobicContact CG2-CD1 3.99Å; L1301-N1303 HydrophobicContact CD2-CB 4.21Å |
| 1302 | I | 32.3 | Very low | 30.9 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | | | trans | -111.2 | 91.6 | 133.1 | -64.5 | 177 | 0 | 0 | 0 | 108.5 | | |
| 1303 | N | 29.5 | Very low | 31.1 | Very low | 144 Ų | 144 | 140 Ų | 140 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | -62.5 | 0 | 135.9 | -81.5 | -4.5 | 0 | 0 | 0 | 111.2 | L1301 | L1301-N1303 HydrophobicContact CD2-CB 4.21Š|
| 1304 | G | 32.2 | Very low | 31.2 | Very low | 63 Ų | 63 | 144.4 Ų | 144.4 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1305 | Y | 29.7 | Very low | 31 | Very low | 215 Ų | 215 | 141.5 Ų | 141.5 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | | 0 | 111.3 | 0 | -115.3 | -93 | 0 | 0 | 0 | 109.4 | | |
| 1306 | E | 31.6 | Very low | 31.6 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | | 43.6 | 0 | 83.2 | -71.9 | -151.1 | 165.2 | 0 | 0 | 110.9 | | |
| 1307 | D | 31.9 | Very low | 31.5 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | | 0 | 0 | 0 | -87.9 | -19.9 | 0 | 0 | 0 | 109.4 | | |
| 1308 | G | 32.4 | Very low | 31.4 | Very low | 68 Ų | 68 | 138.1 Ų | 138.1 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1309 | V | 33.7 | Very low | 31.6 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | | | | 0 | 0 | 0 | 178 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1310 | M | 27.8 | Very low | 31.7 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | | | | 0 | 118.7 | 0 | -147 | 100.2 | 128.6 | 0 | 0 | 110.2 | | |
| 1311 | S | 33.1 | Very low | 31.6 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | | -167.4 | 0 | 122.1 | 66.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1312 | T | 32.4 | Very low | 31.6 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | | | | 0 | 102.5 | 0 | -7.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1313 | V | 33.5 | Very low | 31.5 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | | 177.2 | 102 | 109.8 | 177.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1314 | K | 32.5 | Very low | 31.4 | Very low | 203 Ų | 203 | 134.9 Ų | 134.9 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | | 74.4 | 101.4 | 111 | -104.3 | 174.6 | -176.7 | -178.8 | 0 | 110.4 | | |
| 1315 | S | 27.5 | Very low | 31.1 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | | 27.9 | 0 | 109.3 | 129.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1316 | P | 41.3 | Very low | 30.9 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 66% | 0.662 | 79% | 0.793 | S | S | * | * | | | | 0 | 0 | 0 | 33.7 | -4.7 | 0 | 0 | 0 | 112 | | |
| 1317 | T | 31.4 | Very low | 30.6 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | | | | 0 | 119.9 | 0 | -43.2 | 0 | 0 | 0 | 0 | 109 | | |
| 1318 | A | 29.3 | Very low | 30.6 | Very low | 85 Ų | 85 | 130.2 Ų | 130.2 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | | | | 98.9 | 0 | 81.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1319 | P | 35.3 | Very low | 30.4 | Very low | 137 Ų | 137 | 132 Ų | 132 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | | | | 0 | 131.1 | 0 | 33.8 | -5.7 | 0 | 0 | 0 | 111.7 | | |
| 1320 | S | 29.3 | Very low | 30.2 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | trans | -105.5 | 137.5 | 155.2 | 53.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1321 | F | 26.9 | Very low | 30.4 | Very low | 203 Ų | 203 | 131 Ų | 131 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | | | | 35.7 | 0 | 118.9 | -87.2 | -80.5 | 0 | 0 | 0 | 111.1 | | |
| 1322 | S | 29.9 | Very low | 30.3 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | | 0 | 124.8 | 0 | 47.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1323 | S | 29.5 | Very low | 30.1 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | | | | 76.6 | 119.4 | 111.7 | -93.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1324 | L | 27.5 | Very low | 30 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | | | | 98.3 | 114.6 | 120.9 | -88.9 | 140.5 | 0 | 0 | 0 | 109.7 | | |
| 1325 | K | 26.7 | Very low | 30 | Very low | 178 Ų | 178 | 127.1 Ų | 127.1 | 77% | 0.774 | 75% | 0.75 | S | S | * | * | | | | 103.5 | 115.6 | 114.4 | -134.9 | 167.8 | -177.7 | -178.2 | 0 | 109.9 | | |
| 1326 | T | 25.9 | Very low | 30 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | | | | 90.6 | 107.9 | 115.5 | -53.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1327 | T | 25.3 | Very low | 29.5 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 66% | 0.663 | 75% | 0.753 | S | S | * | * | | | | 75 | 94 | 128.4 | -9.9 | 0 | 0 | 0 | 0 | 110.1 | V1329 | T1327-V1329 VanDerWaalsContact C-N 3.34Š|
| 1328 | A | 30.7 | Very low | 29.6 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 92% | 0.917 | 75% | 0.75 | S | S | * | * | | | trans | -82.4 | 87.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1329 | V | 28.7 | Very low | 29.5 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 65% | 0.648 | 75% | 0.751 | S | S | * | * | | | trans | -53.3 | 113.6 | 148.7 | 176.7 | 0 | 0 | 0 | 0 | 109.4 | T1327 | T1327-V1329 VanDerWaalsContact C-N 3.34Š|
| 1330 | K | 29.2 | Very low | 29.2 | Very low | 182 Ų | 182 | 132.5 Ų | 132.5 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | | | | 101.1 | 123.1 | 96.3 | -94.5 | -178.4 | -175.7 | -178.9 | 0 | 109.7 | | |
| 1331 | P | 31.8 | Very low | 29.2 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -100.6 | 108.4 | 135.6 | 31 | -4.6 | 0 | 0 | 0 | 111.6 | | |
| 1332 | V | 31 | Very low | 29.2 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 70% | 0.697 | 74% | 0.736 | S | S | * | * | S | Bend | | 77.9 | 95.9 | 126.4 | 175.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1333 | D | 29.7 | Very low | 29.6 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | | | | 77.4 | 95.3 | 121.6 | -79.1 | -29.5 | 0 | 0 | 0 | 110.5 | | |
| 1334 | N | 31.1 | Very low | 30 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 66% | 0.663 | 73% | 0.733 | S | S | * | * | | | | 102 | 108.8 | 118.7 | -82.8 | -9.2 | 0 | 0 | 0 | 110.4 | | |
| 1335 | H | 31.9 | Very low | 30.3 | Very low | 138 Ų | 138 | 128 Ų | 128 | 64% | 0.639 | 74% | 0.736 | S | S | * | * | | | | 118.7 | 0 | 90 | -92.6 | -75.1 | 0 | 0 | 0 | 109.9 | | |
| 1336 | E | 27.1 | Very low | 30.5 | Very low | 195 Ų | 195 | 131.3 Ų | 131.3 | 91% | 0.911 | 74% | 0.744 | S | S | * | * | | | | 0 | 91.9 | 0 | -104 | -172.8 | 159 | 0 | 0 | 109.7 | | |
| 1337 | S | 32 | Very low | 30.8 | Very low | 86 Ų | 86 | 134 Ų | 134 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | | | | -61.7 | 96.4 | 122.1 | 6.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1338 | E | 31.6 | Very low | 31.7 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | | 94.7 | 96.4 | 119.8 | -82.3 | -146 | 164.1 | 0 | 0 | 110.2 | | |
| 1339 | A | 29 | Very low | 31.8 | Very low | 87 Ų | 87 | 135.2 Ų | 135.2 | 72% | 0.719 | 74% | 0.744 | S | S | * | * | | | | 34.5 | 97.2 | 117.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1340 | L | 28.4 | Very low | 32.1 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | | | | 166.1 | 102.4 | 125.7 | -91.2 | 156.8 | 0 | 0 | 0 | 109.1 | | |
| 1341 | I | 28.1 | Very low | 32 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | | | | 74.4 | 102.9 | 106.6 | -61 | 178 | 0 | 0 | 0 | 109.1 | | |
| 1342 | A | 28.3 | Very low | 32.2 | Very low | 83 Ų | 83 | 137.4 Ų | 137.4 | 69% | 0.686 | 75% | 0.754 | S | S | * | * | | | | 89.5 | 95.3 | 106.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1343 | T | 37.8 | Very low | 32.3 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | trans | 5.3 | 129.1 | 134.5 | 39.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1344 | P | 38.8 | Very low | 32.4 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | | | | 155.4 | 114.4 | 83.9 | 33.8 | -4.8 | 0 | 0 | 0 | 111.9 | R1346 | P1344-R1346 PolarHBondContact O-N 3.19Š|
| 1345 | S | 33.4 | Very low | 32.4 | Very low | 120 Ų | 120 | 134 Ų | 134 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 45.8 | 93.8 | 153.4 | 9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1346 | R | 30.7 | Very low | 32.4 | Very low | 247 Ų | 247 | 131 Ų | 131 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 53.4 | 94.6 | 145.3 | -130.6 | -179.2 | -175.2 | -147.2 | -0.3 | 110.9 | P1344 | P1344-R1346 PolarHBondContact O-N 3.19Š|
| 1347 | L | 31.9 | Very low | 32.8 | Very low | 163 Ų | 163 | 128 Ų | 128 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | 39.1 | 0 | 146.7 | -76.4 | 166.4 | 0 | 0 | 0 | 111.3 | | |
| 1348 | P | 43.6 | Very low | 32.8 | Very low | 103 Ų | 103 | 127 Ų | 127 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | | | | 0 | 0 | 0 | 34.5 | -5.5 | 0 | 0 | 0 | 112.1 | | |
| 1349 | I | 34.4 | Very low | 32.5 | Very low | 140 Ų | 140 | 130 Ų | 130 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | | | | 0 | 0 | 0 | -63.2 | 176.4 | 0 | 0 | 0 | 108.3 | | |
| 1350 | Q | 33.4 | Very low | 32.5 | Very low | 169 Ų | 169 | 132.1 Ų | 132.1 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | | 0 | 0 | 0 | -112.7 | 159.4 | 2.2 | 0 | 0 | 110.2 | | |
| 1351 | D | 29 | Very low | 32.6 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | | 0 | 0 | 0 | -102.3 | -12.1 | 0 | 0 | 0 | 109.9 | | |
| 1352 | V | 34.8 | Very low | 33.1 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | | | | 0 | 0 | 0 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1353 | G | 32.4 | Very low | 33 | Very low | 79 Ų | 79 | 132.4 Ų | 132.4 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1354 | G | 32.2 | Very low | 32.7 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1355 | C | 32.5 | Very low | 32.4 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 95% | 0.953 | 77% | 0.774 | S | S | * | * | | | | 0 | 0 | 0 | -68.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1356 | G | 31.9 | Very low | 32.2 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1357 | S | 34.5 | Very low | 32.4 | Very low | 132 Ų | 132 | 123.5 Ų | 123.5 | 92% | 0.923 | 74% | 0.744 | S | S | * | * | | | | 0 | 0 | 0 | 40.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1358 | G | 31.9 | Very low | 32.4 | Very low | 65 Ų | 65 | 120.9 Ų | 120.9 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | | | | 0 | 129.9 | 0 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1359 | W | 25.6 | Very low | 31.9 | Very low | 238 Ų | 238 | 120.6 Ų | 120.6 | 90% | 0.902 | 74% | 0.739 | S | S | * | * | | | | 100.9 | 0 | 95.4 | -83.8 | 42.4 | 0 | 0 | 0 | 109.8 | | |
| 1360 | I | 28.7 | Very low | 31.8 | Very low | 130 Ų | 130 | 119 Ų | 119 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | | | | 0 | 126.5 | 0 | -62.7 | 176.5 | 0 | 0 | 0 | 108.5 | | |
| 1361 | N | 30.8 | Very low | 31.5 | Very low | 152 Ų | 152 | 118.7 Ų | 118.7 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | | | | 132.1 | 0 | 118.7 | -90.4 | -15.3 | 0 | 0 | 0 | 109.9 | | |
| 1362 | P | 39 | Very low | 31.6 | Very low | 82 Ų | 82 | 116.7 Ų | 116.7 | 53% | 0.532 | 74% | 0.74 | S | S | . | * | | | | 0 | 0 | 0 | 34 | -4.9 | 0 | 0 | 0 | 111.8 | | |
| 1363 | L | 26.5 | Very low | 31.5 | Very low | 151 Ų | 151 | 117 Ų | 117 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | | | | 0 | 123.9 | 0 | -85.5 | 157.4 | 0 | 0 | 0 | 109.2 | | |
| 1364 | K | 30 | Very low | 31.6 | Very low | 154 Ų | 154 | 119 Ų | 119 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | | | | 117.2 | 121.3 | 110.4 | -133.3 | 168.3 | -176.3 | -174.9 | 0 | 109.7 | G691 Q692 | G691-K1364 VanDerWaalsContact O-CD 3.26Å; G691-K1364 WeakPolarHBondContact O-CD 1.77Å; G691-K1364 WeakPolarHBondContact O-CE 3.41Å; G691-K1364 WeakPolarHBondContact O-CG 3.47Å; Q692-K1364 CarbonylContact O-C 3.55Å; Q692-K1364 VanDerWaalsContact O-C 3.27Å; Q692-K1364 WeakPolarHBondContact O-CA 3.16Å; Q692-K1364 WeakPolarHBondContact O-CG 3.37Å |
| 1365 | A | 32.6 | Very low | 31.6 | Very low | 67 Ų | 67 | 122.6 Ų | 122.6 | 55% | 0.554 | 73% | 0.733 | S | S | * | * | | | | 145.4 | 0 | 109.6 | 0 | 0 | 0 | 0 | 0 | 109 | Q692 | Q692-A1365 VanDerWaalsContact O-CA 3.27Å; Q692-A1365 WeakPolarHBondContact O-CA 2.14Å; Q692-A1365 PolarHBondContact O-N 2.77Å |
| 1366 | S | 31 | Very low | 31.7 | Very low | 58 Ų | 58 | 124.6 Ų | 124.6 | 41% | 0.406 | 73% | 0.726 | S | S | . | * | | | | 0 | 0 | 0 | -17.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1367 | N | 34.4 | Very low | 31.9 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | | | | 0 | 122.4 | 0 | -77.9 | -10.3 | 0 | 0 | 0 | 109.8 | | |
| 1368 | S | 32.2 | Very low | 31.9 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | | | | 100.5 | 126.3 | 89.6 | 59.3 | 0 | 0 | 0 | 0 | 110 | | |
| 1369 | S | 32.1 | Very low | 32.2 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | | | | 112 | 122.2 | 95.5 | -10.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1370 | S | 31.7 | Very low | 32.4 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | | | | 30.1 | 117.4 | 114.5 | 31.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1371 | L | 28.5 | Very low | 32.9 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | | | | 115.4 | 108.5 | 125.5 | -98.3 | 146.8 | 0 | 0 | 0 | 109.5 | | |
| 1372 | S | 31 | Very low | 33 | Very low | 100 Ų | 100 | 127 Ų | 127 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | | | trans | 105.3 | 105.9 | 130.8 | 66.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1373 | I | 32.3 | Very low | 32.7 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | | | | 99.8 | 101.9 | 118.8 | -73.5 | 169.3 | 0 | 0 | 0 | 108.8 | | |
| 1374 | V | 34.1 | Very low | 32.7 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | | | | 75.3 | 98.3 | 125.7 | 176.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1375 | D | 33.5 | Very low | 32.8 | Very low | 150 Ų | 150 | 124.5 Ų | 124.5 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | | | | 102.4 | 99.3 | 120.7 | -101.6 | -22.9 | 0 | 0 | 0 | 110.1 | | |
| 1376 | K | 33.6 | Very low | 32.9 | Very low | 183 Ų | 183 | 127.3 Ų | 127.3 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | | | | 50.3 | 0 | 112.8 | -111 | -179.3 | -175.8 | -177.2 | 0 | 111.1 | | |
| 1377 | H | 36.8 | Very low | 32.9 | Very low | 163 Ų | 163 | 129.5 Ų | 129.5 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | | 0 | 0 | 0 | -92.2 | -74.4 | 0 | 0 | 0 | 109.4 | | |
| 1378 | T | 34.3 | Very low | 32.7 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | | 0 | 0 | 0 | 35.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1379 | N | 36.8 | Very low | 32.5 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | | | | 0 | 0 | 0 | -85.3 | -29.4 | 0 | 0 | 0 | 109.6 | | |
| 1380 | H | 31.6 | Very low | 32.9 | Very low | 186 Ų | 186 | 131 Ų | 131 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | | | | 0 | 0 | 0 | -97.5 | -56.7 | 0 | 0 | 0 | 112.1 | | |
| 1381 | P | 38.5 | Very low | 32.6 | Very low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | | | | 0 | 0 | 0 | 34.2 | -5.3 | 0 | 0 | 0 | 112.1 | | |
| 1382 | G | 32.5 | Very low | 32.6 | Very low | 79 Ų | 79 | 129.5 Ų | 129.5 | 81% | 0.814 | 77% | 0.765 | S | S | * | * | | | | 0 | 121.3 | 0 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1383 | S | 32.3 | Very low | 32.6 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | | 94.7 | 124.1 | 100.9 | -126.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1384 | I | 27.2 | Very low | 32.5 | Very low | 157 Ų | 157 | 130.4 Ų | 130.4 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | | | | 84.8 | 114.5 | 103.5 | -62.9 | 175.8 | 0 | 0 | 0 | 108.7 | | |
| 1385 | A | 31.7 | Very low | 32.5 | Very low | 71 Ų | 71 | 131.7 Ų | 131.7 | 59% | 0.587 | 76% | 0.759 | S | S | * | * | | | trans | 131.8 | 107.7 | 130.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1386 | T | 35 | Very low | 32.3 | Very low | 126 Ų | 126 | 133 Ų | 133 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | | 115.5 | 100.1 | 125.2 | 49 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1387 | S | 31.4 | Very low | 32 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | | 55.5 | 109.3 | 120.3 | 66.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1388 | N | 30.7 | Very low | 32 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | | | | 59.1 | 104.6 | 116.5 | -80.3 | -15.1 | 0 | 0 | 0 | 111.1 | | |
| 1389 | S | 27 | Very low | 32.1 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | | | | 94.7 | 148.5 | 115.1 | -127.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1390 | P | 40.3 | Very low | 31.8 | Very low | 105 Ų | 105 | 138 Ų | 138 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | | -132.8 | 145 | -65.2 | 34.3 | -5 | 0 | 0 | 0 | 112.1 | | |
| 1391 | A | 25.9 | Very low | 31.8 | Very low | 84 Ų | 84 | 140.1 Ų | 140.1 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | | | | 121.7 | 114.1 | 123.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1392 | M | 28.5 | Very low | 31.6 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | | | | -176.1 | 91.7 | 128.9 | -109.2 | -124.3 | -104.5 | 0 | 0 | 109.1 | L1394 | M1392-L1394 HydrophobicContact CG-CD1 4.26Å; M1392-L1394 HydrophobicContact SD-CD1 3.08Å; M1392-L1394 WeakPolarHBondContact SD-CD1 2.13Å; M1392-L1394 HydrophobicContact SD-CG 4.2Å |
| 1393 | L | 30.7 | Very low | 31.8 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | | | trans | -171.5 | 98.1 | 130.3 | -128.6 | 128.2 | 0 | 0 | 0 | 109.2 | | |
| 1394 | L | 29.3 | Very low | 31.8 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 57% | 0.571 | 75% | 0.752 | S | S | * | * | | | | 61.3 | 103.4 | 79.3 | -87.8 | 165.1 | 0 | 0 | 0 | 110.6 | M1392 | M1392-L1394 HydrophobicContact CG-CD1 4.26Å; M1392-L1394 HydrophobicContact SD-CD1 3.08Å; M1392-L1394 WeakPolarHBondContact SD-CD1 2.13Å; M1392-L1394 HydrophobicContact SD-CG 4.2Å |
| 1395 | H | 34 | Very low | 32.1 | Very low | 145 Ų | 145 | 145 Ų | 145 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | | | | 158.1 | 108.9 | 121.4 | -111.2 | -75.8 | 0 | 0 | 0 | 109.5 | | |
| 1396 | Y | 31.2 | Very low | 32.1 | Very low | 179 Ų | 179 | 149.7 Ų | 149.7 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | | | | 96.5 | 109.5 | 93.6 | -111.9 | -88.8 | 0 | 0 | 0 | 109.7 | | |
| 1397 | E | 27.1 | Very low | 32 | Very low | 155 Ų | 155 | 151.9 Ų | 151.9 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | | | | 59.3 | 0 | 101.9 | -120.8 | 159.9 | -177.3 | 0 | 0 | 110.8 | | |
| 1398 | T | 35.5 | Very low | 31.9 | Very low | 111 Ų | 111 | 155.6 Ų | 155.6 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | | | | 0 | 110.3 | 0 | -12.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1399 | R | 37.7 | Very low | 31.7 | Very low | 239 Ų | 239 | 155.9 Ų | 155.9 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | | | | 128.6 | 0 | 116.3 | -103.6 | -161.7 | -110.7 | -138.5 | -0.6 | 109.6 | | |
| 1400 | R | 29.7 | Very low | 31.7 | Very low | 238 Ų | 238 | 160.4 Ų | 160.4 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | | | | 0 | 0 | 0 | -90.5 | -154.7 | -156.5 | -170.9 | 0.5 | 110.9 | | |
| 1401 | R | 32.6 | Very low | 31.2 | Very low | 230 Ų | 230 | 162.2 Ų | 162.2 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | | | | 0 | 0 | 0 | -89.6 | -164 | 178.2 | 158.6 | 0.8 | 109.4 | | |
| 1402 | K | 32.7 | Very low | 31.3 | Very low | 194 Ų | 194 | 163.8 Ų | 163.8 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | | 0 | 0 | 0 | -95.8 | -176 | -176.6 | 176.5 | 0 | 110.3 | | |
| 1403 | P | 36.5 | Very low | 31.4 | Very low | 104 Ų | 104 | 163.1 Ų | 163.1 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | | | | 0 | 0 | 0 | 33.7 | -5.1 | 0 | 0 | 0 | 112.1 | | |
| 1404 | S | 34 | Very low | 31.4 | Very low | 111 Ų | 111 | 162.2 Ų | 162.2 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | | 0 | 0 | 0 | 52.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1405 | N | 32.2 | Very low | 31.3 | Very low | 159 Ų | 159 | 162.5 Ų | 162.5 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | S | Bend | | 0 | 0 | 0 | -97.1 | -7.2 | 0 | 0 | 0 | 110 | | |
| 1406 | E | 32.5 | Very low | 31.2 | Very low | 169 Ų | 169 | 162.9 Ų | 162.9 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | | 0 | 0 | 0 | -97.6 | -174.6 | 161.5 | 0 | 0 | 109.6 | | |
| 1407 | Q | 32.6 | Very low | 31.4 | Very low | 172 Ų | 172 | 160.1 Ų | 160.1 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | | 0 | 0 | 0 | -82.6 | -174.4 | 0.7 | 0 | 0 | 109.8 | | |
| 1408 | Q | 29.8 | Very low | 31.9 | Very low | 182 Ų | 182 | 159 Ų | 159 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | | | | 0 | 0 | 0 | -103.4 | 177.7 | 5.7 | 0 | 0 | 110.5 | | |
| 1409 | L | 26.7 | Very low | 31.9 | Very low | 164 Ų | 164 | 158.1 Ų | 158.1 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | | | | 0 | 125.6 | 0 | -137.9 | 91.6 | 0 | 0 | 0 | 111.2 | | |
| 1410 | Y | 26.9 | Very low | 31.5 | Very low | 203 Ų | 203 | 151.8 Ų | 151.8 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | | | | 32.6 | 0 | 126.5 | -134.5 | -97.3 | 0 | 0 | 0 | 110.8 | | |
| 1411 | N | 29.8 | Very low | 31.9 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | | | | 0 | 110.7 | 0 | -82.8 | -20 | 0 | 0 | 0 | 110 | | |
| 1412 | D | 28.1 | Very low | 31.6 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | | | | 68.7 | 103.9 | 98.8 | -91.6 | -20.8 | 0 | 0 | 0 | 110.5 | | |
| 1413 | I | 30.7 | Very low | 31.4 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 71% | 0.708 | 73% | 0.731 | S | S | * | * | | | | 27.4 | 108.3 | 119.9 | -59.5 | 175.8 | 0 | 0 | 0 | 109.7 | | |
| 1414 | H | 29.1 | Very low | 31 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 67% | 0.667 | 73% | 0.731 | S | S | * | * | | | trans | 147.7 | 106.6 | 132.1 | -94.6 | -68.9 | 0 | 0 | 0 | 109.3 | | |
| 1415 | D | 28.6 | Very low | 30.7 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 62% | 0.615 | 73% | 0.73 | S | S | * | * | | | | 113.3 | 98.6 | 107.4 | -90.6 | -25 | 0 | 0 | 0 | 109.6 | | |
| 1416 | E | 30.6 | Very low | 30.7 | Very low | 152 Ų | 152 | 137 Ų | 137 | 71% | 0.71 | 73% | 0.725 | S | S | * | * | | | | 119.4 | 86.7 | 112 | -86.2 | -130 | 161.1 | 0 | 0 | 109.6 | | |
| 1417 | N | 36.8 | Very low | 30.5 | Very low | 121 Ų | 121 | 138 Ų | 138 | 65% | 0.647 | 72% | 0.723 | S | S | * | * | | | | 167.3 | 91.9 | 124.4 | -89.5 | -19.2 | 0 | 0 | 0 | 109.7 | | |
| 1418 | D | 36.4 | Very low | 30.7 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | | | | 105.8 | 96.6 | 105.6 | -90.3 | -18.9 | 0 | 0 | 0 | 109.9 | | |
| 1419 | S | 36.9 | Very low | 30.7 | Very low | 91 Ų | 91 | 138.2 Ų | 138.2 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | | | | 97.7 | 92.2 | 103.4 | -34.9 | 0 | 0 | 0 | 0 | 110 | | |
| 1420 | S | 29.2 | Very low | 31.5 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | | | | 13.3 | 150.7 | 118.1 | 12.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1421 | P | 36.7 | Very low | 31.9 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 69% | 0.688 | 71% | 0.707 | S | S | * | * | | | | 166.8 | 140.5 | 57.4 | 34.1 | -4.9 | 0 | 0 | 0 | 111.9 | | |
| 1422 | S | 27.2 | Very low | 32.3 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | | | | 98.7 | 112.6 | 122.7 | 63.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1423 | T | 28.4 | Very low | 32.4 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | | | | 74.4 | 113.2 | 109.1 | 40.5 | 0 | 0 | 0 | 0 | 110 | | |
| 1424 | S | 28.3 | Very low | 32.5 | Very low | 98 Ų | 98 | 131 Ų | 131 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | | | | 116.3 | 115.7 | 113 | 130.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1425 | N | 26.7 | Very low | 32.4 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | | | | 87 | 116.2 | 101.8 | -85.2 | -18.7 | 0 | 0 | 0 | 110.6 | | |
| 1426 | H | 32.7 | Very low | 32.7 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | | | | -171.2 | 108 | 121.8 | -102.2 | 59.5 | 0 | 0 | 0 | 109.6 | | |
| 1427 | Y | 28.8 | Very low | 32.9 | Very low | 190 Ų | 190 | 129.1 Ų | 129.1 | 75% | 0.745 | 74% | 0.741 | S | S | * | * | | | | 92.8 | 106.1 | 93.8 | -100.3 | -84.5 | 0 | 0 | 0 | 109.8 | | |
| 1428 | H | 37 | Very low | 32.7 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 83% | 0.833 | 75% | 0.75 | S | S | * | * | | | | 167.5 | 98.3 | 110 | -104 | -70.3 | 0 | 0 | 0 | 109.2 | | |
| 1429 | Q | 29.6 | Very low | 32.9 | Very low | 178 Ų | 178 | 133 Ų | 133 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | | | | -9.1 | 0 | 124.3 | -103.5 | -164 | -13.7 | 0 | 0 | 112 | | |
| 1430 | P | 42.2 | Very low | 32.7 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | | | | 0 | 136.6 | 0 | 34 | -4.9 | 0 | 0 | 0 | 112.2 | | |
| 1431 | T | 36.6 | Very low | 32.9 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | | | | 139 | 106.4 | 109.6 | -30.1 | 0 | 0 | 0 | 0 | 109 | | |
| 1432 | Q | 37 | Very low | 32.8 | Very low | 185 Ų | 185 | 137.7 Ų | 137.7 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | | | | 120.5 | 105.7 | 102.6 | -80.1 | -146.7 | -10.5 | 0 | 0 | 109.7 | | |
| 1433 | G | 30.1 | Very low | 33 | Very low | 65 Ų | 65 | 140 Ų | 140 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | | | | 61.8 | 108.7 | 88.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1434 | I | 33 | Very low | 33.1 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | | | | 147.3 | 0 | 109.8 | -63.4 | 179.5 | 0 | 0 | 0 | 108.1 | | |
| 1435 | L | 27.7 | Very low | 33.2 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | | 0 | 109.5 | 0 | -101.9 | 138.4 | 0 | 0 | 0 | 110.4 | | |
| 1436 | A | 34.9 | Very low | 33.5 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | | -179.3 | 0 | 128.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 1437 | S | 33.8 | Very low | 33.3 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | | 0 | 0 | 0 | 62.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1438 | Y | 33.1 | Very low | 33.5 | Very low | 217 Ų | 217 | 136.9 Ų | 136.9 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | | | | 0 | 0 | 0 | -86.6 | -83.3 | 0 | 0 | 0 | 111.1 | | |
| 1439 | P | 40.8 | Very low | 33.3 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | | 0 | 0 | 0 | 34.3 | -5.6 | 0 | 0 | 0 | 111.9 | | |
| 1440 | H | 33.4 | Very low | 33.4 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | | | | 0 | 116.9 | 0 | -134 | -118.6 | 0 | 0 | 0 | 109.2 | | |
| 1441 | S | 32.9 | Very low | 32.8 | Very low | 87 Ų | 87 | 137.7 Ų | 137.7 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | | | | 102.2 | 114.3 | 96.4 | 55 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1442 | T | 33.6 | Very low | 32.5 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | | 106 | 105.6 | 104.8 | -41.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1443 | I | 32.2 | Very low | 32 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | | | | 155.1 | 105.8 | 104.3 | -65.2 | -164.4 | 0 | 0 | 0 | 107.9 | | |
| 1444 | L | 31.4 | Very low | 32 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | | | | 111.2 | 105.9 | 95.8 | -99.2 | 145.3 | 0 | 0 | 0 | 109.6 | | |
| 1445 | S | 29.1 | Very low | 31.7 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | | | | 94.2 | 99.1 | 89.1 | -162.5 | 0 | 0 | 0 | 0 | 110 | | |
| 1446 | L | 33.2 | Very low | 31.7 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | | 159.1 | 96.4 | 115 | -98.6 | 113.2 | 0 | 0 | 0 | 109.1 | | |
| 1447 | A | 28.7 | Very low | 31.4 | Very low | 94 Ų | 94 | 136 Ų | 136 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | | | | -10.8 | 102.8 | 104.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1448 | N | 32.6 | Very low | 31.2 | Very low | 147 Ų | 147 | 138 Ų | 138 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | | | | -166.2 | 100.1 | 125.4 | -139.7 | 2.9 | 0 | 0 | 0 | 109.8 | | |
| 1449 | R | 33.5 | Very low | 31 | Very low | 219 Ų | 219 | 132.3 Ų | 132.3 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | | | | 49.3 | 0 | 95.3 | -97.2 | -171.3 | -173.5 | -172 | 0.6 | 110.9 | | |
| 1450 | N | 32.3 | Very low | 31 | Very low | 139 Ų | 139 | 133 Ų | 133 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | | 0 | 108.6 | 0 | -78.2 | -16.9 | 0 | 0 | 0 | 109.8 | | |
| 1451 | S | 29.6 | Very low | 30.6 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | | | | 1.2 | 117.3 | 99.1 | -40.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1452 | A | 30.5 | Very low | 30.4 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | | | | 162.6 | 117 | 112.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1453 | S | 25.4 | Very low | 30.1 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | | | | -2.8 | 0 | 111.6 | 135.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1454 | V | 29.4 | Very low | 29.9 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 67% | 0.673 | 74% | 0.741 | S | S | * | * | | | | 0 | 115.9 | 0 | 172.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1455 | V | 28.4 | Very low | 30.1 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 75% | 0.745 | 74% | 0.735 | S | S | * | * | | | | 59.1 | 113.7 | 120 | 178 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1456 | Y | 27.3 | Very low | 30 | Very low | 206 Ų | 206 | 127.6 Ų | 127.6 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | | | | 61.4 | 126.5 | 123.2 | -106.7 | -87.3 | 0 | 0 | 0 | 110.6 | | |
| 1457 | T | 27.9 | Very low | 29.7 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 52% | 0.515 | 74% | 0.737 | S | S | . | * | | | | 81.5 | 0 | 108.2 | 57.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1458 | Q | 29.6 | Very low | 29.7 | Very low | 162 Ų | 162 | 131.6 Ų | 131.6 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | | | | 0 | 116.1 | 0 | -122 | 138.6 | 53.6 | 0 | 0 | 109.5 | | |
| 1459 | S | 28.4 | Very low | 29.8 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | | | | 29.7 | 152 | 122.3 | -19 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1460 | P | 40.6 | Very low | 29.7 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | | | trans | -113.9 | 113.3 | 146.9 | 27.6 | -3.3 | 0 | 0 | 0 | 111.7 | | |
| 1461 | I | 26.3 | Very low | 29.3 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | | | | -23.1 | 0 | 125.3 | -60.3 | 177.1 | 0 | 0 | 0 | 110.5 | | |
| 1462 | V | 28.7 | Very low | 29.1 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | | | | 0 | 121.9 | 0 | 173.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1463 | S | 27.4 | Very low | 29.1 | Very low | 75 Ų | 75 | 132.4 Ų | 132.4 | 52% | 0.524 | 73% | 0.725 | S | S | . | * | | | | 126.4 | 121.4 | 75.4 | -62.7 | 0 | 0 | 0 | 0 | 110 | | |
| 1464 | I | 28 | Very low | 29.5 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 71% | 0.708 | 72% | 0.719 | S | S | * | * | | | | 80.3 | 159.8 | 96.7 | -55.5 | 177.5 | 0 | 0 | 0 | 109.2 | | |
| 1465 | P | 34.9 | Very low | 29.6 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 71% | 0.708 | 72% | 0.724 | S | S | * | * | | | cis | 179.9 | 146.4 | 44 | 33.1 | -3.6 | 0 | 0 | 0 | 112.7 | | |
| 1466 | S | 27.4 | Very low | 29.9 | Very low | 104 Ų | 104 | 135 Ų | 135 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | | | | 94.5 | 123.4 | 92.4 | -141.8 | 0 | 0 | 0 | 0 | 110 | | |
| 1467 | R | 27.1 | Very low | 30.3 | Very low | 213 Ų | 213 | 134.4 Ų | 134.4 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | | | | 144 | 119.1 | 112.5 | -116.7 | -178.8 | 178 | 165.2 | 0.4 | 109.6 | | |
| 1468 | N | 27.4 | Very low | 30.5 | Very low | 121 Ų | 121 | 134 Ų | 134 | 65% | 0.647 | 74% | 0.741 | S | S | * | * | | | | 111.3 | 103.4 | 113.3 | -88.9 | -9.4 | 0 | 0 | 0 | 110.2 | | |
| 1469 | D | 34.9 | Very low | 30.7 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 67% | 0.674 | 74% | 0.736 | S | S | * | * | | | | 157.1 | 100.5 | 122.7 | -83.5 | -27.9 | 0 | 0 | 0 | 109.3 | | |
| 1470 | R | 31.4 | Very low | 31.1 | Very low | 213 Ų | 213 | 131.7 Ų | 131.7 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | | 112.4 | 0 | 105.5 | -93.2 | -174.5 | -174.4 | 171.6 | 1.2 | 109.9 | | |
| 1471 | Q | 25.3 | Very low | 30.4 | Very low | 172 Ų | 172 | 133.1 Ų | 133.1 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | | 0 | 0 | 0 | -98.1 | 169.1 | -3.9 | 0 | 0 | 111.1 | | |
| 1472 | S | 24.9 | Very low | 30.8 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | | | | 0 | 104.7 | 0 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1473 | S | 30.8 | Very low | 30.8 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | S | Bend | | -159.8 | 95.6 | 117.1 | 134 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1474 | S | 33.4 | Very low | 31.2 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | | | | 139.1 | 101.2 | 89 | 56.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1475 | D | 31.7 | Very low | 31.4 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | | | | 112 | 106.4 | 100.6 | -87.2 | -25.6 | 0 | 0 | 0 | 110 | | |
| 1476 | M | 34.8 | Very low | 31.4 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | | | | 133.6 | 110.5 | 101.1 | -85.6 | -137.4 | 163.4 | 0 | 0 | 109.4 | | |
| 1477 | K | 34.7 | Very low | 31.6 | Very low | 193 Ų | 193 | 134.9 Ų | 134.9 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | | | | 94.1 | 114.8 | 95.1 | -144.1 | 161.5 | -175.8 | -169.9 | 0 | 110.1 | | |
| 1478 | G | 31.8 | Very low | 31.9 | Very low | 76 Ų | 76 | 134.6 Ų | 134.6 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | | | | 100.1 | 110.3 | 94.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1479 | G | 34.7 | Very low | 31.9 | Very low | 63 Ų | 63 | 133.8 Ų | 133.8 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | | | | 107.7 | 0 | 101.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1480 | N | 35.9 | Very low | 31.7 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | | | | 0 | 120.5 | 0 | -67.1 | -6.7 | 0 | 0 | 0 | 110.4 | | |
| 1481 | E | 27.8 | Very low | 31.5 | Very low | 162 Ų | 162 | 132.1 Ų | 132.1 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | | | | 87 | 0 | 97.8 | -151.8 | 177.9 | 167.3 | 0 | 0 | 110.2 | | |
| 1482 | L | 33.1 | Very low | 31.6 | Very low | 131 Ų | 131 | 127.4 Ų | 127.4 | 69% | 0.686 | 74% | 0.74 | S | S | * | * | | | | 0 | 0 | 0 | -143.9 | 89.6 | 0 | 0 | 0 | 109.4 | | |
| 1483 | T | 29.3 | Very low | 31.6 | Very low | 107 Ų | 107 | 132 Ų | 132 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | | | | 0 | 0 | 0 | 40.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1484 | V | 35.3 | Very low | 31.4 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | | | | 0 | 108.8 | 0 | 175 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1485 | M | 33.8 | Very low | 31.5 | Very low | 155 Ų | 155 | 133 Ų | 133 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | | | | 64.9 | 123.7 | 98.2 | -76 | -131.3 | -112.3 | 0 | 0 | 110.2 | | |
| 1486 | D | 33.6 | Very low | 31.5 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | | | | 125.9 | 117.3 | 100.7 | -91.6 | -20.9 | 0 | 0 | 0 | 109.5 | | |
| 1487 | G | 32.1 | Very low | 31.3 | Very low | 75 Ų | 75 | 129.6 Ų | 129.6 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | | | | 93.2 | 114.3 | 87.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1488 | K | 33.6 | Very low | 31.2 | Very low | 207 Ų | 207 | 127.4 Ų | 127.4 | 90% | 0.9 | 71% | 0.712 | S | S | * | * | | | | 114.2 | 120.5 | 104.6 | -128.9 | 172.8 | -175.5 | -171 | 0 | 109.7 | | |
| 1489 | S | 26.5 | Very low | 31.1 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | | | | 67.1 | 0 | 101.5 | -165.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1490 | I | 32 | Very low | 30.6 | Very low | 135 Ų | 135 | 139 Ų | 139 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | | | | 0 | 114.2 | 0 | -54.4 | 179.9 | 0 | 0 | 0 | 108 | | |
| 1491 | E | 27 | Very low | 30.4 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | | | | 76.2 | 113.9 | 111.2 | -115.9 | 174.3 | -176.5 | 0 | 0 | 110.5 | | |
| 1492 | S | 26 | Very low | 30.4 | Very low | 74 Ų | 74 | 135.8 Ų | 135.8 | 52% | 0.517 | 71% | 0.707 | S | S | . | * | | | | 90 | 122 | 109.1 | -8.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1493 | Y | 25.8 | Very low | 30.2 | Very low | 207 Ų | 207 | 137.7 Ų | 137.7 | 81% | 0.812 | 71% | 0.712 | S | S | * | * | | | | 103.2 | 120.3 | 112.7 | -93.9 | -84.3 | 0 | 0 | 0 | 109.5 | | |
| 1494 | S | 27.4 | Very low | 29.9 | Very low | 83 Ų | 83 | 137 Ų | 137 | 58% | 0.58 | 71% | 0.712 | S | S | * | * | | | | 88.6 | 125.2 | 95.3 | -108.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1495 | H | 33.8 | Very low | 29.5 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 67% | 0.667 | 71% | 0.713 | S | S | * | * | | | | 146.2 | 117.4 | 107.8 | -102.5 | -89.7 | 0 | 0 | 0 | 109.3 | | |
| 1496 | H | 32 | Very low | 29.3 | Very low | 154 Ų | 154 | 135 Ų | 135 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | | | | 106 | 116.8 | 91.7 | -129.5 | 10.6 | 0 | 0 | 0 | 110 | | |
| 1497 | S | 31.7 | Very low | 29 | Very low | 81 Ų | 81 | 132.9 Ų | 132.9 | 57% | 0.566 | 71% | 0.71 | S | S | * | * | | | | 157.8 | 114.8 | 94.3 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1498 | Q | 31.5 | Very low | 28.6 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 68% | 0.682 | 71% | 0.711 | S | S | * | * | | | | 123.8 | 106.2 | 84 | -103.6 | -169.4 | 1.8 | 0 | 0 | 109.8 | | |
| 1499 | Y | 30.3 | Very low | 28.4 | Very low | 217 Ų | 217 | 132.3 Ų | 132.3 | 85% | 0.851 | 71% | 0.707 | S | S | * | * | | | | 176.9 | 101.6 | 106.5 | -101.5 | -84.6 | 0 | 0 | 0 | 109.1 | | |
| 1500 | Q | 24.2 | Very low | 28.5 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 77% | 0.771 | 72% | 0.715 | S | S | * | * | | | | -6.4 | 115.4 | 108.7 | -87.9 | -165.9 | 14.7 | 0 | 0 | 111.9 | | |
| 1501 | H | 31 | Very low | 28.8 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 72% | 0.718 | 71% | 0.714 | S | S | * | * | | | | 170 | 108.5 | 105.5 | -113.4 | -86 | 0 | 0 | 0 | 109.2 | | |
| 1502 | T | 29.5 | Very low | 28.8 | Very low | 91 Ų | 91 | 134.4 Ų | 134.4 | 56% | 0.558 | 71% | 0.712 | S | S | * | * | | | | 82.5 | 111.2 | 86.4 | 43.6 | 0 | 0 | 0 | 0 | 110 | | |
| 1503 | E | 27.2 | Very low | 28.9 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | | | | 112.5 | 113.5 | 97 | -77.1 | -165.3 | 173.4 | 0 | 0 | 109.8 | | |
| 1504 | S | 24.8 | Very low | 29.3 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 65% | 0.65 | 72% | 0.72 | S | S | * | * | | | | 72.8 | 115.3 | 104.2 | 41.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1505 | S | 26.8 | Very low | 29.5 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | | | | 128.6 | 118.4 | 108.7 | 36.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1506 | T | 28.4 | Very low | 29.3 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | | | | 114.4 | 111.3 | 116.4 | 37.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1507 | S | 27.8 | Very low | 29.3 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | | | | 121 | 110.3 | 107.3 | 61.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1508 | L | 23.5 | Very low | 29.3 | Very low | 153 Ų | 153 | 132 Ų | 132 | 80% | 0.801 | 70% | 0.7 | S | S | * | * | | | | 61 | 101 | 108.5 | -125.6 | 103.4 | 0 | 0 | 0 | 110.4 | | |
| 1509 | S | 29.6 | Very low | 29.5 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | | | trans | 179.6 | 92.5 | 130.8 | 47.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1510 | K | 27.4 | Very low | 29.5 | Very low | 204 Ų | 204 | 122.1 Ų | 122.1 | 89% | 0.887 | 69% | 0.689 | S | S | * | * | | | trans | -23 | 156.1 | 137.6 | -84.6 | 177.2 | -174.9 | -178.7 | 0 | 111.6 | | |
| 1511 | P | 39.9 | Very low | 30 | Very low | 104 Ų | 104 | 121 Ų | 121 | 68% | 0.675 | 69% | 0.687 | S | S | * | * | | | cis | -155.6 | 150.1 | -24.9 | 34.6 | -6.1 | 0 | 0 | 0 | 111.9 | | |
| 1512 | L | 27 | Very low | 29.9 | Very low | 143 Ų | 143 | 115.2 Ų | 115.2 | 75% | 0.749 | 66% | 0.661 | S | S | * | * | | | trans | 173.6 | 112.5 | 137.2 | -105.5 | 144.9 | 0 | 0 | 0 | 109.1 | | |
| 1513 | N | 27.2 | Very low | 30 | Very low | 135 Ų | 135 | 117.9 Ų | 117.9 | 72% | 0.722 | 67% | 0.669 | S | S | * | * | | | | 109.9 | 100 | 104 | -100.8 | -0.9 | 0 | 0 | 0 | 110.2 | | |
| 1514 | E | 33.4 | Very low | 30.1 | Very low | 168 Ų | 168 | 112.8 Ų | 112.8 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | | | | 157.6 | 93.9 | 127.6 | -120.2 | 179.2 | -179.8 | 0 | 0 | 109.6 | | |
| 1515 | I | 33.1 | Very low | 30.1 | Very low | 128 Ų | 128 | 116.2 Ų | 116.2 | 66% | 0.656 | 67% | 0.672 | S | S | * | * | | | | 105.7 | 0 | 110.8 | -62.1 | 174.9 | 0 | 0 | 0 | 108.7 | | |
| 1516 | Q | 28.6 | Very low | 30.5 | Very low | 164 Ų | 164 | 118 Ų | 118 | 77% | 0.766 | 68% | 0.679 | S | S | * | * | | | | 0 | 115.1 | 0 | -90 | -179.9 | -10.7 | 0 | 0 | 111 | | |
| 1517 | S | 32.1 | Very low | 30.5 | Very low | 38 Ų | 38 | 116.9 Ų | 116.9 | 27% | 0.266 | 68% | 0.677 | S | S | . | * | | | | 143.1 | 116.2 | 107.1 | -137.2 | 0 | 0 | 0 | 0 | 109.2 | V35 T36 | V35-S1517 WeakPolarHBondContact CA-OG 2.64Å; V35-S1517 WeakPolarHBondContact CB-OG 3.26Å; V35-S1517 VanDerWaalsContact CG1-CA 3.4Å; V35-S1517 WeakPolarHBondContact CG1-OG 2.7Å; V35-S1517 WeakPolarHBondContact CG2-OG 3.27Å; T36-S1517 WeakPolarHBondContact CA-OG 3.37Å; T36-S1517 WeakPolarHBondContact CB-OG 3.01Å; T36-S1517 CovalentContact CG2-OG 0.97Å; T36-S1517 WeakPolarHBondContact CG2-OG 3.42Å; T36-S1517 PolarHBondContact OG1-OG 3.47Å |
| 1518 | S | 33.2 | Very low | 30.6 | Very low | 59 Ų | 59 | 118.1 Ų | 118.1 | 41% | 0.413 | 68% | 0.68 | S | S | . | * | | | | 118.3 | 114.3 | 88.1 | 54 | 0 | 0 | 0 | 0 | 109.6 | V35 T36 | V35-S1518 WeakPolarHBondContact CG1-OG 3.4Å; T36-S1518 WeakPolarHBondContact OG1-CB 3.39Å; T36-S1518 PolarHBondContact OG1-OG 3.06Å |
| 1519 | S | 33.9 | Very low | 30.9 | Very low | 93 Ų | 93 | 115.4 Ų | 115.4 | 65% | 0.65 | 68% | 0.68 | S | S | * | * | | | | 49.2 | 125.4 | 98.3 | -113.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1520 | G | 31 | Very low | 31.1 | Very low | 64 Ų | 64 | 119.4 Ų | 119.4 | 66% | 0.66 | 68% | 0.683 | S | S | * | * | | | | 119.3 | 121.6 | 95.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1521 | I | 35.1 | Very low | 31.5 | Very low | 141 Ų | 141 | 115.7 Ų | 115.7 | 72% | 0.723 | 67% | 0.672 | S | S | * | * | | | | 177.3 | 112.2 | 107.8 | -61.1 | -177.6 | 0 | 0 | 0 | 108.2 | V1210 | V1210-I1521 HydrophobicContact CB-CG2 3.91Å; V1210-I1521 HydrophobicContact CG1-CB 4.15Å; V1210-I1521 HydrophobicContact CG1-CG1 4.27Å; V1210-I1521 HydrophobicContact CG1-CG2 3.06Å; V1210-I1521 HydrophobicContact CG2-CG2 3.9Å |
| 1522 | M | 29 | Very low | 31.3 | Very low | 33 Ų | 33 | 118.5 Ų | 118.5 | 16% | 0.163 | 68% | 0.677 | C | S | . | * | | | | -8.7 | 125.6 | 115 | -152.8 | -169.4 | -79.1 | 0 | 0 | 111.5 | V1208 C1209 V1210 | V1208-M1522 HydrophobicContact CB-CE 2.88Å; V1208-M1522 HydrophobicContact CB-SD 3.96Å; V1208-M1522 HydrophobicContact CG1-CB 4.47Å; V1208-M1522 HydrophobicContact CG1-CE 2.13Å; V1208-M1522 HydrophobicContact CG1-CG 3.57Å; V1208-M1522 HydrophobicContact CG1-SD 3.32Å; V1208-M1522 WeakPolarHBondContact CG1-SD 3.33Å; V1208-M1522 HydrophobicContact CG2-CE 4.11Å; V1208-M1522 WeakPolarHBondContact O-CE 3.4Å; C1209-M1522 VanDerWaalsContact C-CG 3.44Å; C1209-M1522 CovalentContact CA-SD 2.13Å; C1209-M1522 WeakPolarHBondContact CA-SD 3.19Å; C1209-M1522 HydrophobicContact CB-CB 2.69Å; C1209-M1522 CovalentContact CB-CE 1.61Å; C1209-M1522 HydrophobicContact CB-CE 1.61Å; C1209-M1522 HydrophobicContact CB-CG 2.84Å; C1209-M1522 HydrophobicContact CB-SD 2.14Å; C1209-M1522 WeakPolarHBondContact CB-SD 3.27Å; C1209-M1522 PolarHBondContact N-SD 2.8Å; C1209-M1522 WeakPolarHBondContact O-CE 3.5Å; C1209-M1522 WeakPolarHBondContact O-CG 3.14Å; C1209-M1522 CovalentContact O-SD 1.79Å; C1209-M1522 CovalentContact SG-CE 1.77Å; C1209-M1522 WeakPolarHBondContact SG-CE 3.23Å; C1209-M1522 PolarHBondContact SG-SD 3.02Å; V1210-M1522 HydrophobicContact CB-CB 3.67Å; V1210-M1522 WeakPolarHBondContact CB-O 3.45Å; V1210-M1522 HydrophobicContact CB-SD 4.44Å; V1210-M1522 HydrophobicContact CG2-CB 2.63Å; V1210-M1522 HydrophobicContact CG2-CE 4.45Å; V1210-M1522 HydrophobicContact CG2-CG 3.76Å; V1210-M1522 WeakPolarHBondContact CG2-O 3.47Å; V1210-M1522 HydrophobicContact CG2-SD 3.85Å |
| 1523 | M | 31.2 | Very low | 31.4 | Very low | 148 Ų | 148 | 116.3 Ų | 116.3 | 73% | 0.729 | 67% | 0.673 | S | S | * | * | | | | 129 | 131.5 | 95.6 | -85.9 | -130.9 | -99.2 | 0 | 0 | 109.2 | C1209 | C1209-M1523 WeakPolarHBondContact O-CE 3.36Å; C1209-M1523 WeakPolarHBondContact O-CG 3.37Å |
| 1524 | G | 28.4 | Very low | 31.7 | Very low | 63 Ų | 63 | 116.4 Ų | 116.4 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | | | | 120.9 | 116.9 | 102.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1525 | L | 26.7 | Very low | 31.3 | Very low | 164 Ų | 164 | 114.4 Ų | 114.4 | 86% | 0.859 | 68% | 0.682 | S | S | * | * | | | | 118.8 | 114.6 | 104.6 | -66.9 | 173.8 | 0 | 0 | 0 | 109.4 | | |
| 1526 | T | 34.7 | Very low | 31.2 | Very low | 131 Ų | 131 | 116.3 Ų | 116.3 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | | | | 163 | 105.4 | 116.1 | 53.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1527 | S | 29 | Very low | 31.2 | Very low | 102 Ų | 102 | 117 Ų | 117 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | | | | 80.5 | 106.9 | 105.5 | -144.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1528 | T | 29.8 | Very low | 31 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | | | | 114.3 | 110.9 | 109 | 34.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1529 | A | 28.7 | Very low | 30.9 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 79% | 0.793 | 74% | 0.74 | S | S | * | * | | | | 128.3 | 105.9 | 101.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1530 | F | 34.5 | Very low | 30.9 | Very low | 201 Ų | 201 | 133 Ų | 133 | 88% | 0.882 | 75% | 0.75 | S | S | * | * | | | | -174.7 | 99.8 | 121.2 | -132.6 | -95.3 | 0 | 0 | 0 | 108.9 | | |
| 1531 | N | 35.3 | Very low | 30.7 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | | | | 43.8 | 114.1 | 116.4 | -106.5 | -34.4 | 0 | 0 | 0 | 111.8 | | |
| 1532 | Q | 36.1 | Very low | 30.7 | Very low | 164 Ų | 164 | 135 Ų | 135 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | | | | 120.2 | 107.3 | 103.1 | -100.6 | -178.5 | 25.8 | 0 | 0 | 109.6 | | |
| 1533 | S | 28.2 | Very low | 30.8 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | | | | 35.2 | 119.4 | 106.5 | 19 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1534 | T | 34.9 | Very low | 30.7 | Very low | 138 Ų | 138 | 140 Ų | 140 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | | | | 146.4 | 0 | 120.8 | 27.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1535 | C | 24.4 | Very low | 30.7 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | | 0 | 109.3 | 0 | -79.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1536 | Q | 29.6 | Very low | 30.9 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | | 124.7 | 119.1 | 119 | -87.8 | -151.2 | -14.3 | 0 | 0 | 109.4 | | |
| 1537 | Q | 28.8 | Very low | 30.7 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | | | | 78.9 | 111.8 | 119.6 | -92.5 | -167.1 | 4.6 | 0 | 0 | 110.1 | | |
| 1538 | R | 29.4 | Very low | 30.7 | Very low | 247 Ų | 247 | 143.5 Ų | 143.5 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | | | | 169.5 | 101.6 | 125.2 | -131 | -176 | -175 | 170.8 | 1 | 109.2 | | |
| 1539 | L | 30.2 | Very low | 31 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | | | | 19.7 | 141.7 | 128.6 | -97.9 | 97.6 | 0 | 0 | 0 | 111.1 | | |
| 1540 | P | 33.1 | Very low | 31.2 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | | | | -127.2 | 116.1 | 117.6 | 32.9 | -5.1 | 0 | 0 | 0 | 111.5 | | |
| 1541 | S | 27.6 | Very low | 31.2 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | | | | 4.3 | 120.9 | 121 | -116.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1542 | I | 34.5 | Very low | 30.7 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 80% | 0.795 | 79% | 0.79 | S | S | * | * | | | | 164.1 | 112.5 | 104.9 | -69.6 | 169.9 | 0 | 0 | 0 | 108 | | |
| 1543 | A | 31.8 | Very low | 30.6 | Very low | 88 Ų | 88 | 143.7 Ų | 143.7 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | | 97.5 | 106.3 | 100.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1544 | Q | 28.5 | Very low | 30.5 | Very low | 198 Ų | 198 | 145 Ų | 145 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | | | | 21.1 | 123.4 | 114.1 | -76.2 | 176.3 | 12.5 | 0 | 0 | 111.2 | | |
| 1545 | A | 28.6 | Very low | 30.4 | Very low | 92 Ų | 92 | 143.5 Ų | 143.5 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | | | | 151.9 | 120 | 112.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 1546 | M | 30.8 | Very low | 30.6 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | | | | 163.1 | 0 | 108 | -96.5 | -151 | -51.4 | 0 | 0 | 109.2 | | |
| 1547 | Y | 31 | Very low | 30.8 | Very low | 220 Ų | 220 | 145.8 Ų | 145.8 | 86% | 0.863 | 80% | 0.797 | S | S | * | * | | | | 0 | 109.6 | 0 | -103.8 | -88.6 | 0 | 0 | 0 | 109.6 | | |
| 1548 | G | 28 | Very low | 30.8 | Very low | 64 Ų | 64 | 139.2 Ų | 139.2 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | | | | 108.3 | 0 | 99 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1549 | I | 37.6 | Very low | 30.8 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | | 0 | 98.4 | 0 | -24.1 | 173.9 | 0 | 0 | 0 | 107.9 | | |
| 1550 | S | 32.8 | Very low | 31.1 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | | | | 89.1 | 100.1 | 104.1 | -87.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1551 | Q | 34.1 | Very low | 31.5 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | | 133.4 | 99.8 | 106.7 | -73.8 | -167.1 | 36.6 | 0 | 0 | 109.2 | | |
| 1552 | T | 24.5 | Very low | 32.7 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | | | | 19.5 | 0 | 104 | -3.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1553 | I | 34.9 | Very low | 34.1 | Very low | 155 Ų | 155 | 132 Ų | 132 | 80% | 0.795 | 75% | 0.751 | S | S | * | * | | | | 0 | 85.7 | 0 | -60.1 | 175.8 | 0 | 0 | 0 | 108 | | |
| 1554 | T | 25.4 | Very low | 35.9 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | | | trans | -52.7 | 107.1 | 141.3 | 29.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1555 | P | 33.4 | Very low | 38.4 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | | | trans | -90.6 | 100.6 | 162 | 33.4 | -6.6 | 0 | 0 | 0 | 111.7 | F1557 | P1555-F1557 PolarHBondContact O-N 3.3Š|
| 1556 | S | 27.3 | Very low | 40.9 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 84% | 0.839 | 69% | 0.69 | S | S | * | * | | | trans | 6.7 | 85.4 | 136 | -113.4 | 0 | 0 | 0 | 0 | 111.6 | G1558 | S1556-G1558 PolarHBondContact O-N 3.19Š|
| 1557 | F | 34.2 | Very low | 43.3 | Very low | 221 Ų | 221 | 124.9 Ų | 124.9 | 97% | 0.969 | 70% | 0.697 | S | S | * | * | | | trans | -42.8 | 0 | 152.9 | -78.5 | -81.1 | 0 | 0 | 0 | 110.9 | P1555 | P1555-F1557 PolarHBondContact O-N 3.3Š|
| 1558 | G | 29.1 | Very low | 45.8 | Very low | 39 Ų | 39 | 116.3 Ų | 116.3 | 40% | 0.402 | 68% | 0.676 | S | S | . | * | | | | 0 | 93.1 | 0 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1556 L1560 | S1556-G1558 PolarHBondContact O-N 3.19Å; G1558-L1560 VanDerWaalsContact O-CG 3.31Å; G1558-L1560 WeakPolarHBondContact O-CG 3.22Å; G1558-L1560 PolarHBondContact O-N 3.2Å |
| 1559 | L | 30.4 | Very low | 48.8 | Very low | 183 Ų | 183 | 115.2 Ų | 115.2 | 96% | 0.958 | 66% | 0.657 | S | S | * | * | | | trans | 34.2 | 57.8 | 144.1 | -76.6 | 166.6 | 0 | 0 | 0 | 111.1 | T1561 | L1559-T1561 PolarHBondContact O-N 3.25Š|
| 1560 | L | 35.6 | Very low | 51.5 | Low | 152 Ų | 152 | 107.7 Ų | 107.7 | 80% | 0.796 | 62% | 0.618 | S | S | * | * | | | trans | -77.9 | 89.1 | -172.2 | -70.8 | 172.4 | 0 | 0 | 0 | 109.8 | G1558 | G1558-L1560 VanDerWaalsContact O-CG 3.31Å; G1558-L1560 WeakPolarHBondContact O-CG 3.22Å; G1558-L1560 PolarHBondContact O-N 3.2Å |
| 1561 | T | 41 | Very low | 54.4 | Low | 117 Ų | 117 | 108.4 Ų | 108.4 | 72% | 0.718 | 61% | 0.606 | S | S | * | * | | | trans | -25.1 | 0 | 145.6 | 56.4 | 0 | 0 | 0 | 0 | 111 | L1559 N1563 | L1559-T1561 PolarHBondContact O-N 3.25Å; T1561-N1563 VanDerWaalsContact C-N 3.32Å; T1561-N1563 PolarHBondContact O-N 3.47Å |
| 1562 | P | 52.8 | Low | 57.3 | Low | 69 Ų | 69 | 107 Ų | 107 | 45% | 0.448 | 60% | 0.597 | S | S | . | * | | | | 0 | 96.4 | 0 | 3.1 | 2.9 | 0 | 0 | 0 | 112 | P1564 G1584 | P1562-P1564 VanDerWaalsContact O-N 3.1Å; P1562-G1584 WeakPolarHBondContact CA-O 3Å; P1562-G1584 WeakPolarHBondContact CB-O 2.58Å |
| 1563 | N | 63.6 | Low | 60.7 | Low | 102 Ų | 102 | 101.5 Ų | 101.5 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | | | trans | -28.3 | 121.5 | 169.1 | -109.2 | -21.7 | 0 | 0 | 0 | 112 | T1561 R1631 | T1561-N1563 VanDerWaalsContact C-N 3.32Å; T1561-N1563 PolarHBondContact O-N 3.47Å; N1563-R1631 PolarHBondContact O-NH2 3.48Å |
| 1564 | P | 71.2 | Confident | 63.6 | Low | 104 Ų | 104 | 97.1 Ų | 97.1 | 68% | 0.675 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 0 | 179.4 | 17.5 | -19.3 | 0 | 0 | 0 | 111.6 | P1562 | P1562-P1564 VanDerWaalsContact O-N 3.1Š|
| 1565 | P | 80.8 | Confident | 67.1 | Low | 44 Ų | 44 | 93.3 Ų | 93.3 | 29% | 0.286 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | | 0 | 143.8 | 0 | 9 | -8.1 | 0 | 0 | 0 | 111.9 | K1567 W1573 F1581 L1635 | P1565-K1567 PolarHBondContact O-N 3Å; P1565-W1573 HydrophobicContact CB-CH2 3.91Å; P1565-W1573 HydrophobicContact CB-CZ2 4.17Å; P1565-F1581 HydrophobicContact CB-CD2 4.03Å; P1565-F1581 HydrophobicContact CB-CE2 4.42Å; P1565-L1635 HydrophobicContact CB-CD1 3.79Å; P1565-L1635 HydrophobicContact CB-CD2 4Å; P1565-L1635 HydrophobicContact CG-CD1 4.06Å; P1565-L1635 HydrophobicContact CG-CD2 3.55Å; P1565-L1635 HydrophobicContact CG-CG 4.38Å |
| 1566 | P | 81.5 | Confident | 70.1 | Confident | 26 Ų | 26 | 93.3 Ų | 93.3 | 17% | 0.169 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -49.9 | 0 | 176.5 | -16.1 | 22.5 | 0 | 0 | 0 | 111.8 | W1573 D1577 | P1566-W1573 HydrophobicContact CB-CZ2 4.29Å; P1566-W1573 HydrophobicContact CG-CD2 4.39Å; P1566-W1573 HydrophobicContact CG-CH2 4.44Å; P1566-W1573 HydrophobicContact CG-CZ2 4.27Å; P1566-W1573 WeakPolarHBondContact O-CZ2 2.64Å; P1566-W1573 PolarHBondContact O-NE1 3.19Å; P1566-D1577 HydrophobicContact CB-CB 3.97Å; P1566-D1577 HydrophobicContact CG-CB 3.72Å; P1566-D1577 WeakPolarHBondContact CG-O 2.89Å |
| 1567 | K | 79.6 | Confident | 73.4 | Confident | 212 Ų | 212 | 90.2 Ų | 90.2 | 92% | 0.922 | 49% | 0.488 | S | S | * | . | S | Bend | | 0 | 129.6 | 0 | -66 | -175 | -177.4 | -179.5 | 0 | 110.2 | P1565 | P1565-K1567 PolarHBondContact O-N 3Š|
| 1568 | G | 85.1 | Confident | 76.3 | Confident | 41 Ų | 41 | 79.7 Ų | 79.7 | 42% | 0.423 | 44% | 0.442 | S | S | . | . | S | Bend | trans | 123.7 | 171.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | I1570 W1573 | G1568-I1570 PolarHBondContact O-N 3.31Å; G1568-W1573 PolarHBondContact O-NE1 2.93Å |
| 1569 | P | 90 | Very high | 79.5 | Confident | 40 Ų | 40 | 78.5 Ų | 78.5 | 26% | 0.26 | 43% | 0.427 | S | S | . | . | | | trans | -63.7 | 140.8 | 179.3 | 12.1 | -13.9 | 0 | 0 | 0 | 111.8 | Y1571 K1572 W1573 | P1569-Y1571 HydrophobicContact CB-CD1 3.38Å; P1569-Y1571 HydrophobicContact CB-CE1 2.88Å; P1569-Y1571 HydrophobicContact CB-CE2 4.48Å; P1569-Y1571 HydrophobicContact CB-CG 4.34Å; P1569-Y1571 HydrophobicContact CG-CD1 4.32Å; P1569-Y1571 HydrophobicContact CG-CE1 3.55Å; P1569-Y1571 HydrophobicContact CG-CE2 4.46Å; P1569-Y1571 PolarHBondContact O-N 3.26Å; P1569-K1572 HydrophobicContact CG-CB 4.39Å; P1569-K1572 HydrophobicContact CG-CD 3.76Å; P1569-K1572 HydrophobicContact CG-CG 4.08Å; P1569-K1572 PolarHBondContact O-N 3.37Å; P1569-W1573 PolarHBondContact O-NE1 2.78Å |
| 1570 | I | 94.2 | Very high | 82.6 | Confident | 8 Ų | 8 | 72 Ų | 72 | 4% | 0.041 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -59.7 | -35 | -172.8 | -64.9 | 174.2 | 0 | 0 | 0 | 109.5 | G1568 K1572 W1573 G1602 L1606 L1632 L1635 K1636 | G1568-I1570 PolarHBondContact O-N 3.31Å; I1570-K1572 PolarHBondContact O-N 2.94Å; I1570-W1573 HydrophobicContact CG1-CH2 4.24Å; I1570-W1573 HydrophobicContact CG1-CZ2 4.08Å; I1570-W1573 HydrophobicContact CG2-CD2 4.33Å; I1570-W1573 HydrophobicContact CG2-CE3 4.17Å; I1570-W1573 HydrophobicContact CG2-CZ3 4.49Å; I1570-W1573 VanDerWaalsContact O-CB 3.25Å; I1570-W1573 WeakPolarHBondContact O-CB 3.44Å; I1570-W1573 PolarHBondContact O-N 3.01Å; I1570-G1602 CarbonylContact O-C 3.5Å; I1570-G1602 WeakPolarHBondContact O-CA 1.89Å; I1570-L1606 HydrophobicContact CB-CD1 4.17Å; I1570-L1606 HydrophobicContact CB-CD2 4.47Å; I1570-L1606 HydrophobicContact CB-CG 4.48Å; I1570-L1606 HydrophobicContact CD1-CD2 4.41Å; I1570-L1606 HydrophobicContact CG2-CD1 3.93Å; I1570-L1606 HydrophobicContact CG2-CD2 3.93Å; I1570-L1606 HydrophobicContact CG2-CG 3.76Å; I1570-L1632 HydrophobicContact CD1-CD1 4.04Å; I1570-L1632 HydrophobicContact CG2-CD1 4.38Å; I1570-L1635 HydrophobicContact CD1-CB 3.75Å; I1570-K1636 HydrophobicContact CD1-CG 3.91Å |
| 1571 | Y | 94.3 | Very high | 85.5 | Confident | 118 Ų | 118 | 64.8 Ų | 64.8 | 46% | 0.463 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -68.4 | -7.4 | -175.3 | 62 | -90.1 | 0 | 0 | 0 | 111 | P1569 E1603 | P1569-Y1571 HydrophobicContact CB-CD1 3.38Å; P1569-Y1571 HydrophobicContact CB-CE1 2.88Å; P1569-Y1571 HydrophobicContact CB-CE2 4.48Å; P1569-Y1571 HydrophobicContact CB-CG 4.34Å; P1569-Y1571 HydrophobicContact CG-CD1 4.32Å; P1569-Y1571 HydrophobicContact CG-CE1 3.55Å; P1569-Y1571 HydrophobicContact CG-CE2 4.46Å; P1569-Y1571 PolarHBondContact O-N 3.26Å; Y1571-E1603 WeakPolarHBondContact O-CG 1.42Å |
| 1572 | K | 94.4 | Very high | 88.1 | Confident | 140 Ų | 140 | 59.2 Ų | 59.2 | 61% | 0.609 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -106.5 | 8.4 | 179.9 | -73 | -173.7 | 179.5 | -179 | 0 | 110.1 | P1569 I1570 T1574 | P1569-K1572 HydrophobicContact CG-CB 4.39Å; P1569-K1572 HydrophobicContact CG-CD 3.76Å; P1569-K1572 HydrophobicContact CG-CG 4.08Å; P1569-K1572 PolarHBondContact O-N 3.37Å; I1570-K1572 PolarHBondContact O-N 2.94Å; K1572-T1574 PolarHBondContact O-N 3.36Å |
| 1573 | W | 96.4 | Very high | 90.2 | Very high | 9 Ų | 9 | 64 Ų | 64 | 3% | 0.034 | 34% | 0.337 | C | S | . | . | | | trans | -75 | 138.2 | -177.9 | -76.9 | 5.6 | 0 | 0 | 0 | 109.4 | P1565 P1566 G1568 P1569 I1570 D1577 V1578 F1581 D1601 G1602 L1635 | P1565-W1573 HydrophobicContact CB-CH2 3.91Å; P1565-W1573 HydrophobicContact CB-CZ2 4.17Å; P1566-W1573 HydrophobicContact CB-CZ2 4.29Å; P1566-W1573 HydrophobicContact CG-CD2 4.39Å; P1566-W1573 HydrophobicContact CG-CH2 4.44Å; P1566-W1573 HydrophobicContact CG-CZ2 4.27Å; P1566-W1573 WeakPolarHBondContact O-CZ2 2.64Å; P1566-W1573 PolarHBondContact O-NE1 3.19Å; G1568-W1573 PolarHBondContact O-NE1 2.93Å; P1569-W1573 PolarHBondContact O-NE1 2.78Å; I1570-W1573 HydrophobicContact CG1-CH2 4.24Å; I1570-W1573 HydrophobicContact CG1-CZ2 4.08Å; I1570-W1573 HydrophobicContact CG2-CD2 4.33Å; I1570-W1573 HydrophobicContact CG2-CE3 4.17Å; I1570-W1573 HydrophobicContact CG2-CZ3 4.49Å; I1570-W1573 VanDerWaalsContact O-CB 3.25Å; I1570-W1573 WeakPolarHBondContact O-CB 3.44Å; I1570-W1573 PolarHBondContact O-N 3.01Å; W1573-D1577 HydrophobicContact CB-CB 3.84Å; W1573-D1577 HydrophobicContact CD2-CB 4.44Å; W1573-D1577 HydrophobicContact CG-CB 4.04Å; W1573-V1578 HydrophobicContact CB-CG2 4.16Å; W1573-V1578 HydrophobicContact CE3-CG2 4.35Å; W1573-F1581 HydrophobicContact CH2-CB 4.41Å; W1573-F1581 HydrophobicContact CH2-CD2 4.03Å; W1573-F1581 HydrophobicContact CH2-CG 4.23Å; W1573-F1581 HydrophobicContact CZ3-CB 3.79Å; W1573-F1581 HydrophobicContact CZ3-CD1 4.19Å; W1573-F1581 HydrophobicContact CZ3-CD2 4.02Å; W1573-F1581 AromaticContact CZ3-CG 3.75Å; W1573-F1581 HydrophobicContact CZ3-CG 3.75Å; W1573-D1601 WeakPolarHBondContact O-CB 3.15Å; W1573-G1602 PolarHBondContact O-N 2.8Å; W1573-L1635 HydrophobicContact CH2-CD1 3.82Å |
| 1574 | T | 96.6 | Very high | 91.7 | Very high | 63 Ų | 63 | 59.5 Ų | 59.5 | 39% | 0.387 | 32% | 0.315 | S | S | . | . | | | trans | -83.9 | 163.9 | 173.3 | 63.1 | 0 | 0 | 0 | 0 | 110.5 | K1572 D1576 D1577 V1578 | K1572-T1574 PolarHBondContact O-N 3.36Å; T1574-D1576 PolarHBondContact O-N 3.07Å; T1574-D1577 PolarHBondContact N-OD2 3.12Å; T1574-D1577 VanDerWaalsContact N-OD2 3.14Å; T1574-D1577 WeakPolarHBondContact O-CA 3.4Å; T1574-D1577 WeakPolarHBondContact O-CB 3.49Å; T1574-D1577 PolarHBondContact O-N 2.93Å; T1574-D1577 VanDerWaalsContact OG1-CG 3.3Å; T1574-D1577 PolarHBondContact OG1-N 3.3Å; T1574-D1577 PolarHBondContact OG1-OD2 3.37Å; T1574-V1578 WeakPolarHBondContact O-CG2 2.12Å; T1574-V1578 PolarHBondContact O-N 3.07Å |
| 1575 | P | 96.9 | Very high | 92.8 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 28% | 0.279 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -53.9 | -32.4 | 178.5 | -26.4 | 33 | 0 | 0 | 0 | 111.8 | D1577 V1578 V1579 I1600 D1601 | P1575-D1577 PolarHBondContact O-N 2.81Å; P1575-V1578 PolarHBondContact O-N 2.99Å; P1575-V1579 WeakPolarHBondContact O-CG2 2.78Å; P1575-V1579 PolarHBondContact O-N 3.1Å; P1575-I1600 WeakPolarHBondContact CA-O 3.32Å; P1575-D1601 HydrophobicContact CG-CB 4.17Å |
| 1576 | D | 96.8 | Very high | 93.4 | Very high | 109 Ų | 109 | 56.4 Ų | 56.4 | 58% | 0.583 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -69.7 | -36.5 | 178.4 | -71.6 | -31.9 | 0 | 0 | 0 | 111.1 | T1574 V1578 V1579 A1580 | T1574-D1576 PolarHBondContact O-N 3.07Å; D1576-V1578 PolarHBondContact O-N 3.1Å; D1576-V1579 PolarHBondContact O-N 3.44Å; D1576-A1580 PolarHBondContact O-N 3.44Å |
| 1577 | D | 96.6 | Very high | 93.9 | Very high | 54 Ų | 54 | 57.8 Ų | 57.8 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.1 | -34.7 | 177.1 | -68.6 | -26.2 | 0 | 0 | 0 | 111.2 | P1566 W1573 T1574 P1575 V1579 A1580 F1581 | P1566-D1577 HydrophobicContact CB-CB 3.97Å; P1566-D1577 HydrophobicContact CG-CB 3.72Å; P1566-D1577 WeakPolarHBondContact CG-O 2.89Å; W1573-D1577 HydrophobicContact CB-CB 3.84Å; W1573-D1577 HydrophobicContact CD2-CB 4.44Å; W1573-D1577 HydrophobicContact CG-CB 4.04Å; T1574-D1577 PolarHBondContact N-OD2 3.12Å; T1574-D1577 VanDerWaalsContact N-OD2 3.14Å; T1574-D1577 WeakPolarHBondContact O-CA 3.4Å; T1574-D1577 WeakPolarHBondContact O-CB 3.49Å; T1574-D1577 PolarHBondContact O-N 2.93Å; T1574-D1577 VanDerWaalsContact OG1-CG 3.3Å; T1574-D1577 PolarHBondContact OG1-N 3.3Å; T1574-D1577 PolarHBondContact OG1-OD2 3.37Å; P1575-D1577 PolarHBondContact O-N 2.81Å; D1577-V1579 PolarHBondContact O-N 3.23Å; D1577-A1580 PolarHBondContact O-N 2.77Å; D1577-F1581 WeakPolarHBondContact O-CB 3.23Å; D1577-F1581 PolarHBondContact O-N 2.83Å |
| 1578 | V | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.2 | -38.5 | -179.5 | 171.1 | 0 | 0 | 0 | 0 | 109.2 | W1573 T1574 P1575 D1576 A1580 F1581 V1582 F1595 L1605 | W1573-V1578 HydrophobicContact CB-CG2 4.16Å; W1573-V1578 HydrophobicContact CE3-CG2 4.35Å; T1574-V1578 WeakPolarHBondContact O-CG2 2.12Å; T1574-V1578 PolarHBondContact O-N 3.07Å; P1575-V1578 PolarHBondContact O-N 2.99Å; D1576-V1578 PolarHBondContact O-N 3.1Å; V1578-A1580 PolarHBondContact O-N 3Å; V1578-F1581 CarbonylContact O-C 3.56Å; V1578-F1581 WeakPolarHBondContact O-CB 3.39Å; V1578-F1581 PolarHBondContact O-N 3.09Å; V1578-F1581 VanDerWaalsContact O-N 3.07Å; V1578-V1582 HydrophobicContact CG1-CG2 4.03Å; V1578-V1582 WeakPolarHBondContact O-CG2 1.39Å; V1578-V1582 PolarHBondContact O-N 3.3Å; V1578-F1595 HydrophobicContact CG1-CB 4.43Å; V1578-F1595 HydrophobicContact CG1-CD1 3.92Å; V1578-F1595 HydrophobicContact CG1-CG 4.46Å; V1578-L1605 HydrophobicContact CG1-CD1 4.3Å; V1578-L1605 HydrophobicContact CG1-CD2 4.06Å; V1578-L1605 HydrophobicContact CG2-CD2 4.3Å |
| 1579 | V | 96.2 | Very high | 95.1 | Very high | 14 Ų | 14 | 47.3 Ų | 47.3 | 9% | 0.085 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.1 | -39.2 | -179.4 | 169.5 | 0 | 0 | 0 | 0 | 109.9 | P1575 D1576 D1577 F1581 V1582 R1583 A1592 F1595 L1596 | P1575-V1579 WeakPolarHBondContact O-CG2 2.78Å; P1575-V1579 PolarHBondContact O-N 3.1Å; D1576-V1579 PolarHBondContact O-N 3.44Å; D1577-V1579 PolarHBondContact O-N 3.23Å; V1579-F1581 PolarHBondContact O-N 3.36Å; V1579-V1582 PolarHBondContact O-N 2.62Å; V1579-R1583 HydrophobicContact CG1-CG 4.35Å; V1579-R1583 WeakPolarHBondContact O-CB 3.07Å; V1579-R1583 WeakPolarHBondContact O-CG 3.1Å; V1579-R1583 PolarHBondContact O-N 3.16Å; V1579-A1592 HydrophobicContact CG1-CB 3.7Å; V1579-F1595 HydrophobicContact CG2-CB 4.39Å; V1579-L1596 HydrophobicContact CG2-CB 3.64Å; V1579-L1596 HydrophobicContact CG2-CD1 3.85Å; V1579-L1596 HydrophobicContact CG2-CG 4.33Å |
| 1580 | A | 95.3 | Very high | 95.4 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D1576 D1577 V1578 R1583 G1584 | D1576-A1580 PolarHBondContact O-N 3.44Å; D1577-A1580 PolarHBondContact O-N 2.77Å; V1578-A1580 PolarHBondContact O-N 3Å; A1580-R1583 PolarHBondContact O-N 3.23Å; A1580-G1584 PolarHBondContact O-N 3.29Å |
| 1581 | F | 95.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67 | -43.1 | 178.8 | 170.3 | -106.5 | 0 | 0 | 0 | 110.4 | P1565 W1573 D1577 V1578 V1579 R1583 G1584 T1585 L1628 R1631 L1632 L1635 | P1565-F1581 HydrophobicContact CB-CD2 4.03Å; P1565-F1581 HydrophobicContact CB-CE2 4.42Å; W1573-F1581 HydrophobicContact CH2-CB 4.41Å; W1573-F1581 HydrophobicContact CH2-CD2 4.03Å; W1573-F1581 HydrophobicContact CH2-CG 4.23Å; W1573-F1581 HydrophobicContact CZ3-CB 3.79Å; W1573-F1581 HydrophobicContact CZ3-CD1 4.19Å; W1573-F1581 HydrophobicContact CZ3-CD2 4.02Å; W1573-F1581 AromaticContact CZ3-CG 3.75Å; W1573-F1581 HydrophobicContact CZ3-CG 3.75Å; D1577-F1581 WeakPolarHBondContact O-CB 3.23Å; D1577-F1581 PolarHBondContact O-N 2.83Å; V1578-F1581 CarbonylContact O-C 3.56Å; V1578-F1581 WeakPolarHBondContact O-CB 3.39Å; V1578-F1581 PolarHBondContact O-N 3.09Å; V1578-F1581 VanDerWaalsContact O-N 3.07Å; V1579-F1581 PolarHBondContact O-N 3.36Å; F1581-R1583 VanDerWaalsContact C-N 3.29Å; F1581-R1583 PolarHBondContact O-N 3.32Å; F1581-G1584 PolarHBondContact O-N 3.48Å; F1581-G1584 VanDerWaalsContact O-N 3.07Å; F1581-T1585 PolarHBondContact O-N 3.14Å; F1581-T1585 VanDerWaalsContact O-N 3.12Å; F1581-T1585 PolarHBondContact O-OG1 3.15Å; F1581-L1628 HydrophobicContact CD1-CD1 4.3Å; F1581-L1628 HydrophobicContact CE1-CD1 3.92Å; F1581-L1628 HydrophobicContact CE1-CG 4.37Å; F1581-R1631 HydrophobicContact CE2-CG 3.82Å; F1581-R1631 HydrophobicContact CZ-CB 3.98Å; F1581-R1631 HydrophobicContact CZ-CG 3.71Å; F1581-L1632 HydrophobicContact CE1-CD1 4.38Å; F1581-L1635 HydrophobicContact CD2-CD1 3.81Å; F1581-L1635 HydrophobicContact CE2-CD1 3.07Å; F1581-L1635 HydrophobicContact CE2-CG 4.43Å; F1581-L1635 HydrophobicContact CZ-CD1 3.66Å |
| 1582 | V | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.9 | -36.9 | -178.4 | 174.4 | 0 | 0 | 0 | 0 | 109 | V1578 V1579 G1584 T1585 C1588 A1592 F1595 L1628 | V1578-V1582 HydrophobicContact CG1-CG2 4.03Å; V1578-V1582 WeakPolarHBondContact O-CG2 1.39Å; V1578-V1582 PolarHBondContact O-N 3.3Å; V1579-V1582 PolarHBondContact O-N 2.62Å; V1582-G1584 PolarHBondContact O-N 3.48Å; V1582-T1585 WeakPolarHBondContact O-CB 3.32Å; V1582-T1585 PolarHBondContact O-N 2.93Å; V1582-T1585 VanDerWaalsContact O-N 3.09Å; V1582-C1588 HydrophobicContact CG1-CB 3.98Å; V1582-C1588 WeakPolarHBondContact CG1-O 2.8Å; V1582-A1592 HydrophobicContact CB-CB 4.41Å; V1582-A1592 HydrophobicContact CG1-CB 4.21Å; V1582-F1595 HydrophobicContact CG1-CD2 4.15Å; V1582-F1595 HydrophobicContact CG1-CE2 4.12Å; V1582-F1595 HydrophobicContact CG2-CD1 4.19Å; V1582-F1595 HydrophobicContact CG2-CD2 3.98Å; V1582-F1595 HydrophobicContact CG2-CE1 4.31Å; V1582-F1595 HydrophobicContact CG2-CE2 4.07Å; V1582-F1595 HydrophobicContact CG2-CG 4.04Å; V1582-F1595 HydrophobicContact CG2-CZ 4.24Å; V1582-L1628 HydrophobicContact CB-CD1 4.31Å; V1582-L1628 HydrophobicContact CG1-CD1 4.26Å; V1582-L1628 HydrophobicContact CG2-CD1 3.99Å; V1582-L1628 HydrophobicContact CG2-CD2 4.45Å |
| 1583 | R | 95.8 | Very high | 95.6 | Very high | 170 Ų | 170 | 41.7 Ų | 41.7 | 64% | 0.642 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -68.1 | -28.1 | 177.7 | -81.2 | -173 | -173.4 | -150.2 | 0.5 | 111.4 | V1579 A1580 F1581 T1585 A1592 | V1579-R1583 HydrophobicContact CG1-CG 4.35Å; V1579-R1583 WeakPolarHBondContact O-CB 3.07Å; V1579-R1583 WeakPolarHBondContact O-CG 3.1Å; V1579-R1583 PolarHBondContact O-N 3.16Å; A1580-R1583 PolarHBondContact O-N 3.23Å; F1581-R1583 VanDerWaalsContact C-N 3.29Å; F1581-R1583 PolarHBondContact O-N 3.32Å; R1583-T1585 PolarHBondContact O-N 2.91Å; R1583-A1592 HydrophobicContact CG-CB 3.39Å |
| 1584 | G | 94.6 | Very high | 95.6 | Very high | 7 Ų | 7 | 42 Ų | 42 | 7% | 0.072 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -83.4 | -6.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1562 A1580 F1581 V1582 P1586 R1631 | P1562-G1584 WeakPolarHBondContact CA-O 3Å; P1562-G1584 WeakPolarHBondContact CB-O 2.58Å; A1580-G1584 PolarHBondContact O-N 3.29Å; F1581-G1584 PolarHBondContact O-N 3.48Å; F1581-G1584 VanDerWaalsContact O-N 3.07Å; V1582-G1584 PolarHBondContact O-N 3.48Å; G1584-P1586 WeakPolarHBondContact O-CD 3.34Å; G1584-R1631 PolarHBondContact O-NH1 2.92Å |
| 1585 | T | 95 | Very high | 95.6 | Very high | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -92.2 | 125.4 | 178.2 | -53.5 | 0 | 0 | 0 | 0 | 109.8 | F1581 V1582 R1583 G1587 C1588 L1628 R1631 | F1581-T1585 PolarHBondContact O-N 3.14Å; F1581-T1585 VanDerWaalsContact O-N 3.12Å; F1581-T1585 PolarHBondContact O-OG1 3.15Å; V1582-T1585 WeakPolarHBondContact O-CB 3.32Å; V1582-T1585 PolarHBondContact O-N 2.93Å; V1582-T1585 VanDerWaalsContact O-N 3.09Å; R1583-T1585 PolarHBondContact O-N 2.91Å; T1585-G1587 PolarHBondContact O-N 3Å; T1585-G1587 VanDerWaalsContact O-N 3.1Å; T1585-C1588 HydrophobicContact CG2-CB 4.31Å; T1585-C1588 PolarHBondContact O-N 3.41Å; T1585-L1628 HydrophobicContact CG2-CD1 4.24Å; T1585-R1631 HydrophobicContact CG2-CB 4.45Å; T1585-R1631 WeakPolarHBondContact OG1-CD 2.39Å; T1585-R1631 PolarHBondContact OG1-NH1 2.19Å |
| 1586 | P | 93.2 | Very high | 95.6 | Very high | 79 Ų | 79 | 40.5 Ų | 40.5 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 123.8 | -174.7 | -12.9 | 17.4 | 0 | 0 | 0 | 111.7 | G1584 C1588 | G1584-P1586 WeakPolarHBondContact O-CD 3.34Å; P1586-C1588 VanDerWaalsContact C-N 3.26Å; P1586-C1588 PolarHBondContact O-N 3.2Å |
| 1587 | G | 92.7 | Very high | 95.5 | Very high | 55 Ų | 55 | 41.3 Ų | 41.3 | 57% | 0.567 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | 0.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1585 | T1585-G1587 PolarHBondContact O-N 3Å; T1585-G1587 VanDerWaalsContact O-N 3.1Å |
| 1588 | C | 95.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | | | trans | -117 | 2.3 | -174.2 | -63.8 | 0 | 0 | 0 | 0 | 109.2 | V1582 T1585 P1586 A1590 Y1591 M1620 P1624 L1628 | V1582-C1588 HydrophobicContact CG1-CB 3.98Å; V1582-C1588 WeakPolarHBondContact CG1-O 2.8Å; T1585-C1588 HydrophobicContact CG2-CB 4.31Å; T1585-C1588 PolarHBondContact O-N 3.41Å; P1586-C1588 VanDerWaalsContact C-N 3.26Å; P1586-C1588 PolarHBondContact O-N 3.2Å; C1588-A1590 PolarHBondContact O-N 3.2Å; C1588-A1590 VanDerWaalsContact O-N 3.1Å; C1588-Y1591 PolarHBondContact O-N 3.35Å; C1588-M1620 HydrophobicContact CB-CE 4.39Å; C1588-P1624 PolarHBondContact SG-O 2.51Å; C1588-L1628 HydrophobicContact CB-CD1 4.25Å |
| 1589 | G | 95 | Very high | 95.4 | Very high | 33 Ų | 33 | 49 Ų | 49 | 34% | 0.34 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -60.9 | -30.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y1591 A1592 | G1589-Y1591 PolarHBondContact O-N 2.84Å; G1589-A1592 VanDerWaalsContact O-CB 3.32Å; G1589-A1592 WeakPolarHBondContact O-CB 3.23Å; G1589-A1592 PolarHBondContact O-N 3.29Å; G1589-A1592 VanDerWaalsContact O-N 3.08Å |
| 1590 | A | 95.2 | Very high | 95.4 | Very high | 83 Ų | 83 | 49 Ų | 49 | 69% | 0.686 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -71.7 | -11.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | C1588 | C1588-A1590 PolarHBondContact O-N 3.2Å; C1588-A1590 VanDerWaalsContact O-N 3.1Å |
| 1591 | Y | 96.1 | Very high | 95.5 | Very high | 40 Ų | 40 | 49.4 Ų | 49.4 | 16% | 0.157 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -105.8 | 2.8 | -176.1 | -60.6 | -79.5 | 0 | 0 | 0 | 110.5 | C1588 G1589 S1593 A1594 F1595 M1620 K1621 P1624 | C1588-Y1591 PolarHBondContact O-N 3.35Å; G1589-Y1591 PolarHBondContact O-N 2.84Å; Y1591-S1593 PolarHBondContact O-N 3.02Å; Y1591-S1593 VanDerWaalsContact O-N 3.13Å; Y1591-A1594 WeakPolarHBondContact O-CB 2.99Å; Y1591-A1594 PolarHBondContact O-N 3.29Å; Y1591-F1595 WeakPolarHBondContact O-CD2 3.12Å; Y1591-F1595 PolarHBondContact O-N 3.21Å; Y1591-M1620 HydrophobicContact CD1-CB 4.08Å; Y1591-M1620 HydrophobicContact CD1-CG 3.21Å; Y1591-M1620 HydrophobicContact CD2-CE 3.82Å; Y1591-M1620 HydrophobicContact CD2-CG 3.76Å; Y1591-M1620 HydrophobicContact CD2-SD 4.39Å; Y1591-M1620 VanDerWaalsContact CE1-CA 3.44Å; Y1591-M1620 HydrophobicContact CE1-CB 4.02Å; Y1591-M1620 HydrophobicContact CE1-CG 3.67Å; Y1591-M1620 HydrophobicContact CE2-CE 4.33Å; Y1591-M1620 HydrophobicContact CE2-CG 4.17Å; Y1591-M1620 HydrophobicContact CG-CB 4.38Å; Y1591-M1620 HydrophobicContact CG-CE 4.15Å; Y1591-M1620 HydrophobicContact CG-CG 3.26Å; Y1591-M1620 HydrophobicContact CG-SD 4.12Å; Y1591-K1621 WeakPolarHBondContact OH-CG 1.84Å; Y1591-K1621 PolarHBondContact OH-N 3.33Å; Y1591-P1624 HydrophobicContact CD2-CB 4.17Å; Y1591-P1624 HydrophobicContact CE2-CB 3.61Å; Y1591-P1624 HydrophobicContact CE2-CG 3.69Å |
| 1592 | A | 96 | Very high | 95.5 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.5 | -34.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V1579 V1582 R1583 G1589 A1594 F1595 L1596 | V1579-A1592 HydrophobicContact CG1-CB 3.7Å; V1582-A1592 HydrophobicContact CB-CB 4.41Å; V1582-A1592 HydrophobicContact CG1-CB 4.21Å; R1583-A1592 HydrophobicContact CG-CB 3.39Å; G1589-A1592 VanDerWaalsContact O-CB 3.32Å; G1589-A1592 WeakPolarHBondContact O-CB 3.23Å; G1589-A1592 PolarHBondContact O-N 3.29Å; G1589-A1592 VanDerWaalsContact O-N 3.08Å; A1592-A1594 PolarHBondContact O-N 3.14Å; A1592-F1595 WeakPolarHBondContact O-CB 1.98Å; A1592-F1595 PolarHBondContact O-N 3.17Å; A1592-L1596 PolarHBondContact O-N 3.39Å |
| 1593 | S | 95.6 | Very high | 95.4 | Very high | 63 Ų | 63 | 54.6 Ų | 54.6 | 44% | 0.441 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.4 | -31.4 | -178.4 | 55.3 | 0 | 0 | 0 | 0 | 111.1 | Y1591 F1595 L1596 N1597 | Y1591-S1593 PolarHBondContact O-N 3.02Å; Y1591-S1593 VanDerWaalsContact O-N 3.13Å; S1593-F1595 PolarHBondContact O-N 2.89Å; S1593-L1596 CarbonylContact O-C 3.46Å; S1593-L1596 WeakPolarHBondContact O-CB 3.19Å; S1593-L1596 PolarHBondContact O-N 2.74Å; S1593-L1596 VanDerWaalsContact O-N 3.08Å; S1593-N1597 WeakPolarHBondContact O-CB 1.9Å; S1593-N1597 PolarHBondContact O-N 2.84Å; S1593-N1597 PolarHBondContact O-ND2 3.07Å; S1593-N1597 PolarHBondContact O-OD1 3.18Å |
| 1594 | A | 96 | Very high | 95.4 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 13% | 0.132 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.3 | -31.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y1591 A1592 L1596 N1597 N1598 I1618 | Y1591-A1594 WeakPolarHBondContact O-CB 2.99Å; Y1591-A1594 PolarHBondContact O-N 3.29Å; A1592-A1594 PolarHBondContact O-N 3.14Å; A1594-L1596 PolarHBondContact O-N 2.87Å; A1594-N1597 PolarHBondContact O-N 3.27Å; A1594-N1598 WeakPolarHBondContact O-CB 3.23Å; A1594-N1598 VanDerWaalsContact O-CG 3.29Å; A1594-N1598 PolarHBondContact O-N 3.44Å; A1594-N1598 PolarHBondContact O-ND2 2.88Å; A1594-I1618 HydrophobicContact CB-CG2 4.32Å |
| 1595 | F | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -74.2 | -32.1 | 178.2 | -78.4 | -99 | 0 | 0 | 0 | 110.6 | V1578 V1579 V1582 Y1591 A1592 S1593 N1597 N1598 E1599 I1600 L1605 L1608 F1613 I1618 M1620 L1628 | V1578-F1595 HydrophobicContact CG1-CB 4.43Å; V1578-F1595 HydrophobicContact CG1-CD1 3.92Å; V1578-F1595 HydrophobicContact CG1-CG 4.46Å; V1579-F1595 HydrophobicContact CG2-CB 4.39Å; V1582-F1595 HydrophobicContact CG1-CD2 4.15Å; V1582-F1595 HydrophobicContact CG1-CE2 4.12Å; V1582-F1595 HydrophobicContact CG2-CD1 4.19Å; V1582-F1595 HydrophobicContact CG2-CD2 3.98Å; V1582-F1595 HydrophobicContact CG2-CE1 4.31Å; V1582-F1595 HydrophobicContact CG2-CE2 4.07Å; V1582-F1595 HydrophobicContact CG2-CG 4.04Å; V1582-F1595 HydrophobicContact CG2-CZ 4.24Å; Y1591-F1595 WeakPolarHBondContact O-CD2 3.12Å; Y1591-F1595 PolarHBondContact O-N 3.21Å; A1592-F1595 WeakPolarHBondContact O-CB 1.98Å; A1592-F1595 PolarHBondContact O-N 3.17Å; S1593-F1595 PolarHBondContact O-N 2.89Å; F1595-N1597 VanDerWaalsContact C-N 3.35Å; F1595-N1598 PolarHBondContact O-N 3.39Å; F1595-E1599 PolarHBondContact O-N 3.37Å; F1595-E1599 VanDerWaalsContact O-N 3.09Å; F1595-I1600 HydrophobicContact CB-CB 4.46Å; F1595-I1600 HydrophobicContact CD1-CB 3.97Å; F1595-I1600 HydrophobicContact CD1-CD1 3.55Å; F1595-I1600 HydrophobicContact CD1-CG1 4.34Å; F1595-I1600 HydrophobicContact CD1-CG2 4Å; F1595-I1600 HydrophobicContact CE1-CD1 4Å; F1595-I1600 HydrophobicContact CG-CD1 4.16Å; F1595-I1600 PolarHBondContact O-N 2.93Å; F1595-L1605 HydrophobicContact CD1-CD1 4.27Å; F1595-L1605 HydrophobicContact CE1-CD1 3.68Å; F1595-L1608 HydrophobicContact CE1-CD1 4.38Å; F1595-F1613 HydrophobicContact CE1-CD1 4.33Å; F1595-F1613 AromaticContact CE1-CE1 3.79Å; F1595-F1613 HydrophobicContact CE1-CE1 3.79Å; F1595-F1613 AromaticContact CZ-CD1 3.75Å; F1595-F1613 HydrophobicContact CZ-CD1 3.75Å; F1595-F1613 AromaticContact CZ-CE1 3.6Å; F1595-F1613 HydrophobicContact CZ-CE1 3.6Å; F1595-I1618 HydrophobicContact CD2-CG2 4.45Å; F1595-I1618 HydrophobicContact CE1-CD1 4.02Å; F1595-I1618 HydrophobicContact CE2-CG2 3.83Å; F1595-I1618 HydrophobicContact CZ-CD1 4.03Å; F1595-I1618 HydrophobicContact CZ-CG2 4.17Å; F1595-M1620 HydrophobicContact CE2-SD 3.69Å; F1595-M1620 HydrophobicContact CZ-SD 3.89Å; F1595-L1628 HydrophobicContact CE1-CD2 4.22Å; F1595-L1628 HydrophobicContact CE2-CD2 4.31Å; F1595-L1628 HydrophobicContact CZ-CD2 3.57Å |
| 1596 | L | 96.3 | Very high | 95.4 | Very high | 74 Ų | 74 | 50.1 Ų | 50.1 | 39% | 0.387 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -74.3 | -39.8 | 179 | -174.2 | 68.9 | 0 | 0 | 0 | 110.4 | V1579 A1592 S1593 A1594 N1598 E1599 | V1579-L1596 HydrophobicContact CG2-CB 3.64Å; V1579-L1596 HydrophobicContact CG2-CD1 3.85Å; V1579-L1596 HydrophobicContact CG2-CG 4.33Å; A1592-L1596 PolarHBondContact O-N 3.39Å; S1593-L1596 CarbonylContact O-C 3.46Å; S1593-L1596 WeakPolarHBondContact O-CB 3.19Å; S1593-L1596 PolarHBondContact O-N 2.74Å; S1593-L1596 VanDerWaalsContact O-N 3.08Å; A1594-L1596 PolarHBondContact O-N 2.87Å; L1596-N1598 PolarHBondContact O-N 3.24Å; L1596-N1598 VanDerWaalsContact O-N 3.14Å; L1596-E1599 WeakPolarHBondContact O-CA 2.63Å; L1596-E1599 PolarHBondContact O-N 2.92Å |
| 1597 | N | 96.3 | Very high | 95.4 | Very high | 126 Ų | 126 | 53.1 Ų | 53.1 | 67% | 0.674 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.2 | -25.4 | -178 | -72 | -14 | 0 | 0 | 0 | 111.3 | S1593 A1594 F1595 E1599 | S1593-N1597 WeakPolarHBondContact O-CB 1.9Å; S1593-N1597 PolarHBondContact O-N 2.84Å; S1593-N1597 PolarHBondContact O-ND2 3.07Å; S1593-N1597 PolarHBondContact O-OD1 3.18Å; A1594-N1597 PolarHBondContact O-N 3.27Å; F1595-N1597 VanDerWaalsContact C-N 3.35Å; N1597-E1599 PolarHBondContact O-N 3.28Å |
| 1598 | N | 94.7 | Very high | 95.4 | Very high | 61 Ų | 61 | 52.4 Ų | 52.4 | 33% | 0.326 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 7.3 | 179.8 | -71 | -69.9 | 0 | 0 | 0 | 111.2 | A1594 F1595 L1596 I1600 P1617 | A1594-N1598 WeakPolarHBondContact O-CB 3.23Å; A1594-N1598 VanDerWaalsContact O-CG 3.29Å; A1594-N1598 PolarHBondContact O-N 3.44Å; A1594-N1598 PolarHBondContact O-ND2 2.88Å; F1595-N1598 PolarHBondContact O-N 3.39Å; L1596-N1598 PolarHBondContact O-N 3.24Å; L1596-N1598 VanDerWaalsContact O-N 3.14Å; N1598-I1600 HydrophobicContact CB-CD1 4.07Å; N1598-I1600 HydrophobicContact CB-CG1 3.71Å; N1598-I1600 PolarHBondContact O-N 3.13Å; N1598-I1600 VanDerWaalsContact O-N 3.16Å; N1598-P1617 VanDerWaalsContact OD1-CB 3.23Å; N1598-P1617 WeakPolarHBondContact OD1-CB 2.4Å; N1598-P1617 WeakPolarHBondContact OD1-CG 3Å |
| 1599 | E | 96.1 | Very high | 95.1 | Very high | 155 Ų | 155 | 54.5 Ų | 54.5 | 72% | 0.724 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 47 | 178.2 | -68.3 | -176.2 | 171.4 | 0 | 0 | 111.6 | F1595 L1596 N1597 D1601 | F1595-E1599 PolarHBondContact O-N 3.37Å; F1595-E1599 VanDerWaalsContact O-N 3.09Å; L1596-E1599 WeakPolarHBondContact O-CA 2.63Å; L1596-E1599 PolarHBondContact O-N 2.92Å; N1597-E1599 PolarHBondContact O-N 3.28Å; E1599-D1601 PolarHBondContact O-N 3.24Å |
| 1600 | I | 96.1 | Very high | 94.8 | Very high | 13 Ų | 13 | 57.3 Ų | 57.3 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | | | trans | -81.9 | 0 | 178.7 | -62.1 | -179.8 | 0 | 0 | 0 | 109.2 | P1575 F1595 N1598 A1604 L1605 L1608 I1618 | P1575-I1600 WeakPolarHBondContact CA-O 3.32Å; F1595-I1600 HydrophobicContact CB-CB 4.46Å; F1595-I1600 HydrophobicContact CD1-CB 3.97Å; F1595-I1600 HydrophobicContact CD1-CD1 3.55Å; F1595-I1600 HydrophobicContact CD1-CG1 4.34Å; F1595-I1600 HydrophobicContact CD1-CG2 4Å; F1595-I1600 HydrophobicContact CE1-CD1 4Å; F1595-I1600 HydrophobicContact CG-CD1 4.16Å; F1595-I1600 PolarHBondContact O-N 2.93Å; N1598-I1600 HydrophobicContact CB-CD1 4.07Å; N1598-I1600 HydrophobicContact CB-CG1 3.71Å; N1598-I1600 PolarHBondContact O-N 3.13Å; N1598-I1600 VanDerWaalsContact O-N 3.16Å; I1600-A1604 HydrophobicContact CG2-CB 3.94Å; I1600-L1605 HydrophobicContact CG2-CB 4.17Å; I1600-L1605 HydrophobicContact CG2-CD1 4.4Å; I1600-L1608 HydrophobicContact CD1-CD1 3.83Å; I1600-L1608 HydrophobicContact CG2-CD1 3.86Å; I1600-I1618 HydrophobicContact CD1-CD1 3.43Å; I1600-I1618 VanDerWaalsContact CD1-CD1 3.43Å; I1600-I1618 HydrophobicContact CD1-CG1 3.82Å |
| 1601 | D | 96.3 | Very high | 94.4 | Very high | 55 Ų | 55 | 56.9 Ų | 56.9 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | | | | 0 | 0 | 0 | 60.3 | 4.6 | 0 | 0 | 0 | 110.6 | W1573 P1575 E1599 E1603 A1604 L1605 | W1573-D1601 WeakPolarHBondContact O-CB 3.15Å; P1575-D1601 HydrophobicContact CG-CB 4.17Å; E1599-D1601 PolarHBondContact O-N 3.24Å; D1601-E1603 PolarHBondContact O-N 3.46Å; D1601-E1603 PolarHBondContact OD1-N 3.3Å; D1601-A1604 PolarHBondContact O-N 2.87Å; D1601-A1604 VanDerWaalsContact O-N 3.17Å; D1601-A1604 WeakPolarHBondContact OD1-CB 0.97Å; D1601-A1604 PolarHBondContact OD1-N 3.22Å; D1601-L1605 VanDerWaalsContact O-CB 3.28Å; D1601-L1605 WeakPolarHBondContact O-CB 3.21Å; D1601-L1605 PolarHBondContact O-N 3.08Å |
| 1602 | G | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | | 0 | -31.6 | 0 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1570 W1573 L1605 L1606 | I1570-G1602 CarbonylContact O-C 3.5Å; I1570-G1602 WeakPolarHBondContact O-CA 1.89Å; W1573-G1602 PolarHBondContact O-N 2.8Å; G1602-L1605 PolarHBondContact O-N 3.02Å; G1602-L1606 WeakPolarHBondContact O-CG 2.8Å; G1602-L1606 PolarHBondContact O-N 2.29Å |
| 1603 | E | 94.6 | Very high | 94 | Very high | 112 Ų | 112 | 58.6 Ų | 58.6 | 52% | 0.523 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.8 | -42.9 | 179.2 | -80 | -171.5 | 173.1 | 0 | 0 | 110.9 | Y1571 D1601 L1605 L1606 L1607 | Y1571-E1603 WeakPolarHBondContact O-CG 1.42Å; D1601-E1603 PolarHBondContact O-N 3.46Å; D1601-E1603 PolarHBondContact OD1-N 3.3Å; E1603-L1605 PolarHBondContact O-N 3.42Å; E1603-L1606 PolarHBondContact O-N 3.08Å; E1603-L1607 WeakPolarHBondContact O-CG 1.93Å; E1603-L1607 PolarHBondContact O-N 3.22Å |
| 1604 | A | 95.4 | Very high | 93.9 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.7 | -37.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I1600 D1601 L1606 L1607 L1608 | I1600-A1604 HydrophobicContact CG2-CB 3.94Å; D1601-A1604 PolarHBondContact O-N 2.87Å; D1601-A1604 VanDerWaalsContact O-N 3.17Å; D1601-A1604 WeakPolarHBondContact OD1-CB 0.97Å; D1601-A1604 PolarHBondContact OD1-N 3.22Å; A1604-L1606 PolarHBondContact O-N 2.8Å; A1604-L1607 WeakPolarHBondContact O-CB 2.7Å; A1604-L1607 PolarHBondContact O-N 3.45Å; A1604-L1608 WeakPolarHBondContact O-CG 2.38Å; A1604-L1608 PolarHBondContact O-N 3.17Å; A1604-L1608 VanDerWaalsContact O-N 3.08Å |
| 1605 | L | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.2 | -34.3 | -179.4 | -176.2 | 65.8 | 0 | 0 | 0 | 111.3 | V1578 F1595 I1600 D1601 G1602 E1603 L1607 L1608 F1613 L1632 | V1578-L1605 HydrophobicContact CG1-CD1 4.3Å; V1578-L1605 HydrophobicContact CG1-CD2 4.06Å; V1578-L1605 HydrophobicContact CG2-CD2 4.3Å; F1595-L1605 HydrophobicContact CD1-CD1 4.27Å; F1595-L1605 HydrophobicContact CE1-CD1 3.68Å; I1600-L1605 HydrophobicContact CG2-CB 4.17Å; I1600-L1605 HydrophobicContact CG2-CD1 4.4Å; D1601-L1605 VanDerWaalsContact O-CB 3.28Å; D1601-L1605 WeakPolarHBondContact O-CB 3.21Å; D1601-L1605 PolarHBondContact O-N 3.08Å; G1602-L1605 PolarHBondContact O-N 3.02Å; E1603-L1605 PolarHBondContact O-N 3.42Å; L1605-L1607 PolarHBondContact O-N 2.82Å; L1605-L1608 HydrophobicContact CD1-CD1 4.19Å; L1605-L1608 PolarHBondContact O-N 3.46Å; L1605-F1613 HydrophobicContact CD1-CE1 4.12Å; L1605-F1613 HydrophobicContact CD1-CZ 4.12Å; L1605-L1632 HydrophobicContact CD2-CD1 3.71Å; L1605-L1632 HydrophobicContact CD2-CD2 4.36Å; L1605-L1632 HydrophobicContact CG-CD1 4.25Å; L1605-L1632 HydrophobicContact CG-CD2 3.96Å |
| 1606 | L | 93.9 | Very high | 93.2 | Very high | 53 Ų | 53 | 67.4 Ų | 67.4 | 28% | 0.277 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -78.1 | -12.9 | -177.5 | -73.7 | 170.7 | 0 | 0 | 0 | 110.7 | I1570 G1602 E1603 A1604 K1636 | I1570-L1606 HydrophobicContact CB-CD1 4.17Å; I1570-L1606 HydrophobicContact CB-CD2 4.47Å; I1570-L1606 HydrophobicContact CB-CG 4.48Å; I1570-L1606 HydrophobicContact CD1-CD2 4.41Å; I1570-L1606 HydrophobicContact CG2-CD1 3.93Å; I1570-L1606 HydrophobicContact CG2-CD2 3.93Å; I1570-L1606 HydrophobicContact CG2-CG 3.76Å; G1602-L1606 WeakPolarHBondContact O-CG 2.8Å; G1602-L1606 PolarHBondContact O-N 2.29Å; E1603-L1606 PolarHBondContact O-N 3.08Å; A1604-L1606 PolarHBondContact O-N 2.8Å; L1606-K1636 HydrophobicContact CD2-CD 3.67Å; L1606-K1636 HydrophobicContact CD2-CG 3.77Å |
| 1607 | L | 94.3 | Very high | 92.8 | Very high | 143 Ų | 143 | 67 Ų | 67 | 75% | 0.749 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -98.2 | -6.5 | -177.8 | -69.9 | 171.1 | 0 | 0 | 0 | 110.7 | E1603 A1604 L1605 A1609 | E1603-L1607 WeakPolarHBondContact O-CG 1.93Å; E1603-L1607 PolarHBondContact O-N 3.22Å; A1604-L1607 WeakPolarHBondContact O-CB 2.7Å; A1604-L1607 PolarHBondContact O-N 3.45Å; L1605-L1607 PolarHBondContact O-N 2.82Å; L1607-A1609 PolarHBondContact O-N 3.27Å |
| 1608 | L | 92.8 | Very high | 92.6 | Very high | 39 Ų | 39 | 61.5 Ų | 61.5 | 20% | 0.204 | 33% | 0.329 | C | S | . | . | | | trans | -79 | 130.1 | -177.7 | -78.7 | 163.1 | 0 | 0 | 0 | 110.3 | F1595 I1600 A1604 L1605 Q1612 F1613 I1618 | F1595-L1608 HydrophobicContact CE1-CD1 4.38Å; I1600-L1608 HydrophobicContact CD1-CD1 3.83Å; I1600-L1608 HydrophobicContact CG2-CD1 3.86Å; A1604-L1608 WeakPolarHBondContact O-CG 2.38Å; A1604-L1608 PolarHBondContact O-N 3.17Å; A1604-L1608 VanDerWaalsContact O-N 3.08Å; L1605-L1608 HydrophobicContact CD1-CD1 4.19Å; L1605-L1608 PolarHBondContact O-N 3.46Å; L1608-Q1612 HydrophobicContact CD2-CB 3.61Å; L1608-Q1612 HydrophobicContact CD2-CG 4.43Å; L1608-F1613 HydrophobicContact CB-CE2 3.89Å; L1608-F1613 HydrophobicContact CB-CZ 3.92Å; L1608-F1613 HydrophobicContact CD1-CE1 4.25Å; L1608-F1613 HydrophobicContact CD1-CZ 4.29Å; L1608-I1618 HydrophobicContact CD1-CD1 3.94Å; L1608-I1618 HydrophobicContact CD2-CD1 4.39Å |
| 1609 | A | 89.2 | Confident | 92.5 | Very high | 44 Ų | 44 | 60.5 Ų | 60.5 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | | | trans | -85 | 160.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1607 D1611 Q1612 F1613 | L1607-A1609 PolarHBondContact O-N 3.27Å; A1609-D1611 WeakPolarHBondContact CB-OD1 3.28Å; A1609-D1611 PolarHBondContact O-N 2.71Å; A1609-Q1612 HydrophobicContact CB-CG 4.39Å; A1609-Q1612 WeakPolarHBondContact O-CB 2.85Å; A1609-Q1612 PolarHBondContact O-N 3.27Å; A1609-F1613 WeakPolarHBondContact O-CD2 3.21Å; A1609-F1613 PolarHBondContact O-N 2.88Å |
| 1610 | E | 87.4 | Confident | 92.5 | Very high | 92 Ų | 92 | 53.2 Ų | 53.2 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -51.8 | -32.6 | -177.2 | -161.9 | 168.2 | -179.5 | 0 | 0 | 111 | Q1612 F1613 L1626 V1629 | E1610-Q1612 PolarHBondContact O-N 3.4Å; E1610-F1613 WeakPolarHBondContact O-CB 2.41Å; E1610-F1613 PolarHBondContact O-N 3.26Å; E1610-L1626 HydrophobicContact CG-CD2 4.38Å; E1610-L1626 WeakPolarHBondContact OE1-CD2 3.35Å; E1610-V1629 HydrophobicContact CG-CG2 4.35Å |
| 1611 | D | 88.3 | Confident | 92.4 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 40% | 0.401 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -74.5 | -26.8 | -176.7 | 56.8 | -28 | 0 | 0 | 0 | 111.2 | A1609 F1613 I1614 Q1615 | A1609-D1611 WeakPolarHBondContact CB-OD1 3.28Å; A1609-D1611 PolarHBondContact O-N 2.71Å; D1611-F1613 PolarHBondContact O-N 3.39Å; D1611-I1614 PolarHBondContact O-N 3.06Å; D1611-I1614 VanDerWaalsContact O-N 3.07Å; D1611-Q1615 WeakPolarHBondContact O-CB 2.76Å; D1611-Q1615 WeakPolarHBondContact O-CG 1.73Å; D1611-Q1615 PolarHBondContact O-N 3.35Å |
| 1612 | Q | 89.9 | Confident | 92.3 | Very high | 74 Ų | 74 | 62 Ų | 62 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -78.7 | -14.9 | -177 | -69.2 | 178.6 | -40.7 | 0 | 0 | 111 | L1608 A1609 E1610 | L1608-Q1612 HydrophobicContact CD2-CB 3.61Å; L1608-Q1612 HydrophobicContact CD2-CG 4.43Å; A1609-Q1612 HydrophobicContact CB-CG 4.39Å; A1609-Q1612 WeakPolarHBondContact O-CB 2.85Å; A1609-Q1612 PolarHBondContact O-N 3.27Å; E1610-Q1612 PolarHBondContact O-N 3.4Å |
| 1613 | F | 92.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.009 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -74.1 | -32 | 173.2 | -76.3 | -79.4 | 0 | 0 | 0 | 110.5 | F1595 L1605 L1608 A1609 E1610 D1611 I1618 G1619 M1620 A1625 L1628 V1629 | F1595-F1613 HydrophobicContact CE1-CD1 4.33Å; F1595-F1613 AromaticContact CE1-CE1 3.79Å; F1595-F1613 HydrophobicContact CE1-CE1 3.79Å; F1595-F1613 AromaticContact CZ-CD1 3.75Å; F1595-F1613 HydrophobicContact CZ-CD1 3.75Å; F1595-F1613 AromaticContact CZ-CE1 3.6Å; F1595-F1613 HydrophobicContact CZ-CE1 3.6Å; L1605-F1613 HydrophobicContact CD1-CE1 4.12Å; L1605-F1613 HydrophobicContact CD1-CZ 4.12Å; L1608-F1613 HydrophobicContact CB-CE2 3.89Å; L1608-F1613 HydrophobicContact CB-CZ 3.92Å; L1608-F1613 HydrophobicContact CD1-CE1 4.25Å; L1608-F1613 HydrophobicContact CD1-CZ 4.29Å; A1609-F1613 WeakPolarHBondContact O-CD2 3.21Å; A1609-F1613 PolarHBondContact O-N 2.88Å; E1610-F1613 WeakPolarHBondContact O-CB 2.41Å; E1610-F1613 PolarHBondContact O-N 3.26Å; D1611-F1613 PolarHBondContact O-N 3.39Å; F1613-I1618 HydrophobicContact CD1-CD1 4.29Å; F1613-G1619 PolarHBondContact O-N 3.45Å; F1613-M1620 HydrophobicContact CB-SD 4.45Å; F1613-M1620 HydrophobicContact CD1-SD 3.98Å; F1613-M1620 VanDerWaalsContact O-CB 3.24Å; F1613-M1620 WeakPolarHBondContact O-CB 1.08Å; F1613-M1620 PolarHBondContact O-N 3.08Å; F1613-A1625 HydrophobicContact CB-CB 3.78Å; F1613-L1628 HydrophobicContact CD1-CD2 3.83Å; F1613-L1628 HydrophobicContact CE1-CD2 3.32Å; F1613-L1628 HydrophobicContact CZ-CD2 4.11Å; F1613-V1629 HydrophobicContact CD2-CG2 3.85Å; F1613-V1629 HydrophobicContact CE2-CG2 3.7Å; F1613-V1629 HydrophobicContact CZ-CG2 4.38Å |
| 1614 | I | 92.7 | Very high | 92.4 | Very high | 57 Ų | 57 | 59.4 Ų | 59.4 | 29% | 0.292 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -89.9 | -26.6 | -172.1 | -56.8 | 167.6 | 0 | 0 | 0 | 109.3 | D1611 G1619 M1620 I1622 A1625 | D1611-I1614 PolarHBondContact O-N 3.06Å; D1611-I1614 VanDerWaalsContact O-N 3.07Å; I1614-G1619 WeakPolarHBondContact O-CA 2.01Å; I1614-M1620 VanDerWaalsContact CA-O 3.3Å; I1614-M1620 WeakPolarHBondContact CA-O 3.44Å; I1614-M1620 WeakPolarHBondContact CG2-O 3.09Å; I1614-I1622 HydrophobicContact CD1-CD1 2.81Å; I1614-I1622 HydrophobicContact CD1-CG1 4.14Å; I1614-I1622 HydrophobicContact CG1-CD1 3.95Å; I1614-A1625 HydrophobicContact CG1-CB 3.92Å |
| 1615 | Q | 90.9 | Very high | 92.4 | Very high | 114 Ų | 114 | 57.8 Ų | 57.8 | 53% | 0.533 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -97.7 | 147.7 | -176.6 | -68.5 | -179.9 | 25.8 | 0 | 0 | 109.5 | D1611 I1618 G1619 | D1611-Q1615 WeakPolarHBondContact O-CB 2.76Å; D1611-Q1615 WeakPolarHBondContact O-CG 1.73Å; D1611-Q1615 PolarHBondContact O-N 3.35Å; Q1615-I1618 PolarHBondContact O-N 3.46Å; Q1615-G1619 PolarHBondContact O-N 3.02Å |
| 1616 | P | 87.4 | Confident | 92.4 | Very high | 94 Ų | 94 | 61.8 Ų | 61.8 | 61% | 0.61 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.9 | 145.4 | 173.3 | -20.3 | 28.5 | 0 | 0 | 0 | 111.6 | | |
| 1617 | P | 87.8 | Confident | 92.4 | Very high | 64 Ų | 64 | 65.1 Ų | 65.1 | 42% | 0.416 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -98 | -0.4 | 25.7 | 26.7 | -27.8 | 0 | 0 | 0 | 112 | N1598 | N1598-P1617 VanDerWaalsContact OD1-CB 3.23Å; N1598-P1617 WeakPolarHBondContact OD1-CB 2.4Å; N1598-P1617 WeakPolarHBondContact OD1-CG 3Å |
| 1618 | I | 93.2 | Very high | 92.5 | Very high | 12 Ų | 12 | 58.3 Ų | 58.3 | 6% | 0.062 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -41.6 | 179.9 | -66.1 | 168.6 | 0 | 0 | 0 | 109.3 | A1594 F1595 I1600 L1608 F1613 Q1615 M1620 | A1594-I1618 HydrophobicContact CB-CG2 4.32Å; F1595-I1618 HydrophobicContact CD2-CG2 4.45Å; F1595-I1618 HydrophobicContact CE1-CD1 4.02Å; F1595-I1618 HydrophobicContact CE2-CG2 3.83Å; F1595-I1618 HydrophobicContact CZ-CD1 4.03Å; F1595-I1618 HydrophobicContact CZ-CG2 4.17Å; I1600-I1618 HydrophobicContact CD1-CD1 3.43Å; I1600-I1618 VanDerWaalsContact CD1-CD1 3.43Å; I1600-I1618 HydrophobicContact CD1-CG1 3.82Å; L1608-I1618 HydrophobicContact CD1-CD1 3.94Å; L1608-I1618 HydrophobicContact CD2-CD1 4.39Å; F1613-I1618 HydrophobicContact CD1-CD1 4.29Å; Q1615-I1618 PolarHBondContact O-N 3.46Å; I1618-M1620 HydrophobicContact CG2-CB 4.27Å; I1618-M1620 HydrophobicContact CG2-CG 3.35Å; I1618-M1620 HydrophobicContact CG2-SD 3.67Å |
| 1619 | G | 92.6 | Very high | 92.5 | Very high | 39 Ų | 39 | 57.5 Ų | 57.5 | 40% | 0.402 | 32% | 0.317 | S | S | . | . | | | trans | 60.9 | 47.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1613 I1614 Q1615 | F1613-G1619 PolarHBondContact O-N 3.45Å; I1614-G1619 WeakPolarHBondContact O-CA 2.01Å; Q1615-G1619 PolarHBondContact O-N 3.02Å |
| 1620 | M | 94.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.015 | 32% | 0.322 | C | S | . | . | | | trans | -87.5 | 146.3 | 179.4 | -80.4 | 175.1 | 73.8 | 0 | 0 | 110.1 | C1588 Y1591 F1595 F1613 I1614 I1618 P1624 A1625 L1628 | C1588-M1620 HydrophobicContact CB-CE 4.39Å; Y1591-M1620 HydrophobicContact CD1-CB 4.08Å; Y1591-M1620 HydrophobicContact CD1-CG 3.21Å; Y1591-M1620 HydrophobicContact CD2-CE 3.82Å; Y1591-M1620 HydrophobicContact CD2-CG 3.76Å; Y1591-M1620 HydrophobicContact CD2-SD 4.39Å; Y1591-M1620 VanDerWaalsContact CE1-CA 3.44Å; Y1591-M1620 HydrophobicContact CE1-CB 4.02Å; Y1591-M1620 HydrophobicContact CE1-CG 3.67Å; Y1591-M1620 HydrophobicContact CE2-CE 4.33Å; Y1591-M1620 HydrophobicContact CE2-CG 4.17Å; Y1591-M1620 HydrophobicContact CG-CB 4.38Å; Y1591-M1620 HydrophobicContact CG-CE 4.15Å; Y1591-M1620 HydrophobicContact CG-CG 3.26Å; Y1591-M1620 HydrophobicContact CG-SD 4.12Å; F1595-M1620 HydrophobicContact CE2-SD 3.69Å; F1595-M1620 HydrophobicContact CZ-SD 3.89Å; F1613-M1620 HydrophobicContact CB-SD 4.45Å; F1613-M1620 HydrophobicContact CD1-SD 3.98Å; F1613-M1620 VanDerWaalsContact O-CB 3.24Å; F1613-M1620 WeakPolarHBondContact O-CB 1.08Å; F1613-M1620 PolarHBondContact O-N 3.08Å; I1614-M1620 VanDerWaalsContact CA-O 3.3Å; I1614-M1620 WeakPolarHBondContact CA-O 3.44Å; I1614-M1620 WeakPolarHBondContact CG2-O 3.09Å; I1618-M1620 HydrophobicContact CG2-CB 4.27Å; I1618-M1620 HydrophobicContact CG2-CG 3.35Å; I1618-M1620 HydrophobicContact CG2-SD 3.67Å; M1620-P1624 HydrophobicContact CE-CB 3.67Å; M1620-A1625 HydrophobicContact CB-CB 4.21Å; M1620-L1628 HydrophobicContact CE-CB 4.39Å; M1620-L1628 HydrophobicContact CE-CD2 4.4Å; M1620-L1628 HydrophobicContact SD-CD2 4.38Å |
| 1621 | K | 95.3 | Very high | 93 | Very high | 153 Ų | 153 | 55.6 Ų | 55.6 | 67% | 0.665 | 31% | 0.308 | S | S | * | . | | | trans | -65.6 | 151.5 | 170.4 | -69.3 | -178.4 | 176.6 | 178 | 0 | 111.3 | Y1591 G1623 P1624 A1625 | Y1591-K1621 WeakPolarHBondContact OH-CG 1.84Å; Y1591-K1621 PolarHBondContact OH-N 3.33Å; K1621-G1623 PolarHBondContact O-N 3.06Å; K1621-G1623 VanDerWaalsContact O-N 3.14Å; K1621-P1624 HydrophobicContact CB-CG 4.14Å; K1621-P1624 VanDerWaalsContact O-CD 3.28Å; K1621-P1624 WeakPolarHBondContact O-CD 3.27Å; K1621-A1625 WeakPolarHBondContact O-CB 3.25Å; K1621-A1625 PolarHBondContact O-N 2.66Å |
| 1622 | I | 94.1 | Very high | 93.3 | Very high | 99 Ų | 99 | 52.3 Ų | 52.3 | 51% | 0.508 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.9 | -37 | -171.6 | -165.7 | 80.7 | 0 | 0 | 0 | 110.1 | I1614 A1625 L1626 | I1614-I1622 HydrophobicContact CD1-CD1 2.81Å; I1614-I1622 HydrophobicContact CD1-CG1 4.14Å; I1614-I1622 HydrophobicContact CG1-CD1 3.95Å; I1622-A1625 PolarHBondContact O-N 3.41Å; I1622-L1626 HydrophobicContact CG1-CD1 4.13Å; I1622-L1626 HydrophobicContact CG1-CG 4.39Å; I1622-L1626 WeakPolarHBondContact O-CB 2.81Å; I1622-L1626 VanDerWaalsContact O-CG 3.25Å; I1622-L1626 WeakPolarHBondContact O-CG 2.79Å; I1622-L1626 PolarHBondContact O-N 3.49Å |
| 1623 | G | 95.3 | Very high | 93.4 | Very high | 32 Ų | 32 | 54.1 Ų | 54.1 | 33% | 0.33 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.4 | -61.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K1621 A1625 L1626 K1627 | K1621-G1623 PolarHBondContact O-N 3.06Å; K1621-G1623 VanDerWaalsContact O-N 3.14Å; G1623-A1625 PolarHBondContact O-N 2.99Å; G1623-A1625 VanDerWaalsContact O-N 3.16Å; G1623-L1626 PolarHBondContact O-N 3.39Å; G1623-K1627 PolarHBondContact O-N 3.16Å |
| 1624 | P | 95.7 | Very high | 93.3 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 16% | 0.162 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.7 | -34.9 | -178.7 | -26.2 | 31.3 | 0 | 0 | 0 | 111.8 | C1588 Y1591 M1620 K1621 L1626 K1627 L1628 | C1588-P1624 PolarHBondContact SG-O 2.51Å; Y1591-P1624 HydrophobicContact CD2-CB 4.17Å; Y1591-P1624 HydrophobicContact CE2-CB 3.61Å; Y1591-P1624 HydrophobicContact CE2-CG 3.69Å; M1620-P1624 HydrophobicContact CE-CB 3.67Å; K1621-P1624 HydrophobicContact CB-CG 4.14Å; K1621-P1624 VanDerWaalsContact O-CD 3.28Å; K1621-P1624 WeakPolarHBondContact O-CD 3.27Å; P1624-L1626 PolarHBondContact O-N 3.29Å; P1624-K1627 PolarHBondContact O-N 2.84Å; P1624-L1628 WeakPolarHBondContact O-CB 3.06Å; P1624-L1628 PolarHBondContact O-N 3.09Å |
| 1625 | A | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | F1613 I1614 M1620 K1621 I1622 G1623 K1627 L1628 V1629 | F1613-A1625 HydrophobicContact CB-CB 3.78Å; I1614-A1625 HydrophobicContact CG1-CB 3.92Å; M1620-A1625 HydrophobicContact CB-CB 4.21Å; K1621-A1625 WeakPolarHBondContact O-CB 3.25Å; K1621-A1625 PolarHBondContact O-N 2.66Å; I1622-A1625 PolarHBondContact O-N 3.41Å; G1623-A1625 PolarHBondContact O-N 2.99Å; G1623-A1625 VanDerWaalsContact O-N 3.16Å; A1625-K1627 PolarHBondContact O-N 3.48Å; A1625-L1628 PolarHBondContact O-N 3.14Å; A1625-V1629 WeakPolarHBondContact O-CG2 2.78Å; A1625-V1629 PolarHBondContact O-N 3.07Å |
| 1626 | L | 95 | Very high | 92.9 | Very high | 83 Ų | 83 | 54 Ų | 54 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.9 | -37.2 | -178.7 | -76.6 | 172.8 | 0 | 0 | 0 | 110.8 | E1610 I1622 G1623 P1624 L1628 V1629 A1630 | E1610-L1626 HydrophobicContact CG-CD2 4.38Å; E1610-L1626 WeakPolarHBondContact OE1-CD2 3.35Å; I1622-L1626 HydrophobicContact CG1-CD1 4.13Å; I1622-L1626 HydrophobicContact CG1-CG 4.39Å; I1622-L1626 WeakPolarHBondContact O-CB 2.81Å; I1622-L1626 VanDerWaalsContact O-CG 3.25Å; I1622-L1626 WeakPolarHBondContact O-CG 2.79Å; I1622-L1626 PolarHBondContact O-N 3.49Å; G1623-L1626 PolarHBondContact O-N 3.39Å; P1624-L1626 PolarHBondContact O-N 3.29Å; L1626-L1628 VanDerWaalsContact C-N 3.25Å; L1626-L1628 PolarHBondContact O-N 3.39Å; L1626-V1629 PolarHBondContact O-N 3.03Å; L1626-A1630 WeakPolarHBondContact O-CB 3.33Å; L1626-A1630 PolarHBondContact O-N 3.17Å |
| 1627 | K | 95.3 | Very high | 92.3 | Very high | 124 Ų | 124 | 56.3 Ų | 56.3 | 54% | 0.539 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 179 | -77.4 | -178.3 | -176.7 | 177.6 | 0 | 110.9 | G1623 P1624 A1625 V1629 A1630 R1631 | G1623-K1627 PolarHBondContact O-N 3.16Å; P1624-K1627 PolarHBondContact O-N 2.84Å; A1625-K1627 PolarHBondContact O-N 3.48Å; K1627-V1629 VanDerWaalsContact C-N 3.27Å; K1627-V1629 PolarHBondContact O-N 2.88Å; K1627-A1630 PolarHBondContact O-N 1.99Å; K1627-R1631 WeakPolarHBondContact O-CB 1.62Å; K1627-R1631 PolarHBondContact O-N 2.43Å |
| 1628 | L | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.5 | -39.8 | -179.2 | -169.4 | 82 | 0 | 0 | 0 | 110.6 | F1581 V1582 T1585 C1588 F1595 F1613 M1620 P1624 A1625 L1626 A1630 R1631 L1632 | F1581-L1628 HydrophobicContact CD1-CD1 4.3Å; F1581-L1628 HydrophobicContact CE1-CD1 3.92Å; F1581-L1628 HydrophobicContact CE1-CG 4.37Å; V1582-L1628 HydrophobicContact CB-CD1 4.31Å; V1582-L1628 HydrophobicContact CG1-CD1 4.26Å; V1582-L1628 HydrophobicContact CG2-CD1 3.99Å; V1582-L1628 HydrophobicContact CG2-CD2 4.45Å; T1585-L1628 HydrophobicContact CG2-CD1 4.24Å; C1588-L1628 HydrophobicContact CB-CD1 4.25Å; F1595-L1628 HydrophobicContact CE1-CD2 4.22Å; F1595-L1628 HydrophobicContact CE2-CD2 4.31Å; F1595-L1628 HydrophobicContact CZ-CD2 3.57Å; F1613-L1628 HydrophobicContact CD1-CD2 3.83Å; F1613-L1628 HydrophobicContact CE1-CD2 3.32Å; F1613-L1628 HydrophobicContact CZ-CD2 4.11Å; M1620-L1628 HydrophobicContact CE-CB 4.39Å; M1620-L1628 HydrophobicContact CE-CD2 4.4Å; M1620-L1628 HydrophobicContact SD-CD2 4.38Å; P1624-L1628 WeakPolarHBondContact O-CB 3.06Å; P1624-L1628 PolarHBondContact O-N 3.09Å; A1625-L1628 PolarHBondContact O-N 3.14Å; L1626-L1628 VanDerWaalsContact C-N 3.25Å; L1626-L1628 PolarHBondContact O-N 3.39Å; L1628-A1630 PolarHBondContact O-N 1.33Å; L1628-R1631 PolarHBondContact O-N 2.92Å; L1628-L1632 VanDerWaalsContact O-CB 3.27Å; L1628-L1632 WeakPolarHBondContact O-CB 3.49Å; L1628-L1632 PolarHBondContact O-N 2.83Å |
| 1629 | V | 94.2 | Very high | 89 | Confident | 22 Ų | 22 | 63.6 Ų | 63.6 | 13% | 0.133 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.7 | -39.3 | -179.8 | 170.6 | 0 | 0 | 0 | 0 | 109.7 | E1610 F1613 A1625 L1626 K1627 R1631 L1632 E1633 | E1610-V1629 HydrophobicContact CG-CG2 4.35Å; F1613-V1629 HydrophobicContact CD2-CG2 3.85Å; F1613-V1629 HydrophobicContact CE2-CG2 3.7Å; F1613-V1629 HydrophobicContact CZ-CG2 4.38Å; A1625-V1629 WeakPolarHBondContact O-CG2 2.78Å; A1625-V1629 PolarHBondContact O-N 3.07Å; L1626-V1629 PolarHBondContact O-N 3.03Å; K1627-V1629 VanDerWaalsContact C-N 3.27Å; K1627-V1629 PolarHBondContact O-N 2.88Å; V1629-R1631 PolarHBondContact O-N 2.53Å; V1629-L1632 PolarHBondContact O-N 3.39Å; V1629-E1633 HydrophobicContact CG1-CG 4.34Å; V1629-E1633 WeakPolarHBondContact O-CB 3.39Å; V1629-E1633 WeakPolarHBondContact O-CG 3.28Å; V1629-E1633 PolarHBondContact O-N 2.3Å |
| 1630 | A | 93.6 | Very high | 88.8 | Confident | 57 Ų | 57 | 64.9 Ų | 64.9 | 47% | 0.471 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1626 K1627 L1628 L1632 E1633 S1634 | L1626-A1630 WeakPolarHBondContact O-CB 3.33Å; L1626-A1630 PolarHBondContact O-N 3.17Å; K1627-A1630 PolarHBondContact O-N 1.99Å; L1628-A1630 PolarHBondContact O-N 1.33Å; A1630-L1632 PolarHBondContact O-N 3Å; A1630-E1633 PolarHBondContact O-N 2.33Å; A1630-S1634 PolarHBondContact O-N 3.39Å |
| 1631 | R | 93.1 | Very high | 88.5 | Confident | 38 Ų | 38 | 68.1 Ų | 68.1 | 14% | 0.143 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.4 | -38.5 | 179.9 | -166.7 | 169.7 | 174.6 | 175.7 | -0.6 | 110.9 | N1563 F1581 G1584 T1585 K1627 L1628 V1629 E1633 S1634 L1635 | N1563-R1631 PolarHBondContact O-NH2 3.48Å; F1581-R1631 HydrophobicContact CE2-CG 3.82Å; F1581-R1631 HydrophobicContact CZ-CB 3.98Å; F1581-R1631 HydrophobicContact CZ-CG 3.71Å; G1584-R1631 PolarHBondContact O-NH1 2.92Å; T1585-R1631 HydrophobicContact CG2-CB 4.45Å; T1585-R1631 WeakPolarHBondContact OG1-CD 2.39Å; T1585-R1631 PolarHBondContact OG1-NH1 2.19Å; K1627-R1631 WeakPolarHBondContact O-CB 1.62Å; K1627-R1631 PolarHBondContact O-N 2.43Å; L1628-R1631 PolarHBondContact O-N 2.92Å; V1629-R1631 PolarHBondContact O-N 2.53Å; R1631-E1633 PolarHBondContact O-N 2.65Å; R1631-S1634 PolarHBondContact O-N 2.01Å; R1631-S1634 PolarHBondContact O-OG 2.1Å; R1631-L1635 PolarHBondContact O-N 1.09Å |
| 1632 | L | 93.9 | Very high | 88.1 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.7 | -36.4 | 176.8 | -174.6 | 62.3 | 0 | 0 | 0 | 110.9 | I1570 F1581 L1605 L1628 V1629 A1630 S1634 L1635 K1636 | I1570-L1632 HydrophobicContact CD1-CD1 4.04Å; I1570-L1632 HydrophobicContact CG2-CD1 4.38Å; F1581-L1632 HydrophobicContact CE1-CD1 4.38Å; L1605-L1632 HydrophobicContact CD2-CD1 3.71Å; L1605-L1632 HydrophobicContact CD2-CD2 4.36Å; L1605-L1632 HydrophobicContact CG-CD1 4.25Å; L1605-L1632 HydrophobicContact CG-CD2 3.96Å; L1628-L1632 VanDerWaalsContact O-CB 3.27Å; L1628-L1632 WeakPolarHBondContact O-CB 3.49Å; L1628-L1632 PolarHBondContact O-N 2.83Å; V1629-L1632 PolarHBondContact O-N 3.39Å; A1630-L1632 PolarHBondContact O-N 3Å; L1632-S1634 PolarHBondContact O-N 2.59Å; L1632-L1635 PolarHBondContact O-N 2.62Å; L1632-L1635 VanDerWaalsContact O-N 3.1Å; L1632-K1636 WeakPolarHBondContact O-CG 2.38Å; L1632-K1636 PolarHBondContact O-N 3.13Å |
| 1633 | E | 92.2 | Very high | 87.8 | Confident | 112 Ų | 112 | 61.3 Ų | 61.3 | 52% | 0.523 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.8 | -29.8 | -179.6 | -84.5 | -179.2 | -179 | 0 | 0 | 110.5 | V1629 A1630 R1631 L1635 K1636 N1637 | V1629-E1633 HydrophobicContact CG1-CG 4.34Å; V1629-E1633 WeakPolarHBondContact O-CB 3.39Å; V1629-E1633 WeakPolarHBondContact O-CG 3.28Å; V1629-E1633 PolarHBondContact O-N 2.3Å; A1630-E1633 PolarHBondContact O-N 2.33Å; R1631-E1633 PolarHBondContact O-N 2.65Å; E1633-L1635 PolarHBondContact O-N 3.33Å; E1633-K1636 PolarHBondContact O-N 3.34Å; E1633-N1637 PolarHBondContact O-N 2.45Å |
| 1634 | S | 90.5 | Very high | 87.3 | Confident | 60 Ų | 60 | 63.1 Ų | 63.1 | 42% | 0.42 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71.4 | -27.2 | 178.3 | 65.7 | 0 | 0 | 0 | 0 | 111 | A1630 R1631 L1632 K1636 C1638 | A1630-S1634 PolarHBondContact O-N 3.39Å; R1631-S1634 PolarHBondContact O-N 2.01Å; R1631-S1634 PolarHBondContact O-OG 2.1Å; L1632-S1634 PolarHBondContact O-N 2.59Å; S1634-K1636 VanDerWaalsContact C-N 3.29Å; S1634-C1638 PolarHBondContact O-SG 3.23Å |
| 1635 | L | 89.5 | Confident | 86.7 | Confident | 30 Ų | 30 | 65.7 Ų | 65.7 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -84.5 | -26.3 | -179.5 | -76.1 | 167.6 | 0 | 0 | 0 | 110.7 | P1565 I1570 W1573 F1581 R1631 L1632 E1633 N1637 C1638 C1639 | P1565-L1635 HydrophobicContact CB-CD1 3.79Å; P1565-L1635 HydrophobicContact CB-CD2 4Å; P1565-L1635 HydrophobicContact CG-CD1 4.06Å; P1565-L1635 HydrophobicContact CG-CD2 3.55Å; P1565-L1635 HydrophobicContact CG-CG 4.38Å; I1570-L1635 HydrophobicContact CD1-CB 3.75Å; W1573-L1635 HydrophobicContact CH2-CD1 3.82Å; F1581-L1635 HydrophobicContact CD2-CD1 3.81Å; F1581-L1635 HydrophobicContact CE2-CD1 3.07Å; F1581-L1635 HydrophobicContact CE2-CG 4.43Å; F1581-L1635 HydrophobicContact CZ-CD1 3.66Å; R1631-L1635 PolarHBondContact O-N 1.09Å; L1632-L1635 PolarHBondContact O-N 2.62Å; L1632-L1635 VanDerWaalsContact O-N 3.1Å; E1633-L1635 PolarHBondContact O-N 3.33Å; L1635-N1637 PolarHBondContact O-N 3.35Å; L1635-C1638 PolarHBondContact O-N 1.69Å; L1635-C1638 VanDerWaalsContact O-N 3.15Å; L1635-C1639 PolarHBondContact O-N 2.41Å |
| 1636 | K | 86.5 | Confident | 86.1 | Confident | 81 Ų | 81 | 70.4 Ų | 70.4 | 35% | 0.352 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.8 | -28.5 | -179.8 | -80.9 | -179.6 | 176.7 | -178.8 | 0 | 110.8 | I1570 L1606 L1632 E1633 S1634 C1638 | I1570-K1636 HydrophobicContact CD1-CG 3.91Å; L1606-K1636 HydrophobicContact CD2-CD 3.67Å; L1606-K1636 HydrophobicContact CD2-CG 3.77Å; L1632-K1636 WeakPolarHBondContact O-CG 2.38Å; L1632-K1636 PolarHBondContact O-N 3.13Å; E1633-K1636 PolarHBondContact O-N 3.34Å; S1634-K1636 VanDerWaalsContact C-N 3.29Å; K1636-C1638 PolarHBondContact O-N 3.41Å |
| 1637 | N | 74.9 | Confident | 85.4 | Confident | 142 Ų | 142 | 69.4 Ų | 69.4 | 76% | 0.759 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -3 | -175.2 | -67.6 | -15.2 | 0 | 0 | 0 | 110.9 | E1633 L1635 | E1633-N1637 PolarHBondContact O-N 2.45Å; L1635-N1637 PolarHBondContact O-N 3.35Å |
| 1638 | C | 61.7 | Low | 84.5 | Confident | 109 Ų | 109 | 64.8 Ų | 64.8 | 74% | 0.736 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -8.8 | -179 | -77.1 | 0 | 0 | 0 | 0 | 110.3 | S1634 L1635 K1636 | S1634-C1638 PolarHBondContact O-SG 3.23Å; L1635-C1638 PolarHBondContact O-N 1.69Å; L1635-C1638 VanDerWaalsContact O-N 3.15Å; K1636-C1638 PolarHBondContact O-N 3.41Å |
| 1639 | C | 48.9 | Very low | 83.5 | Confident | 120 Ų | 120 | 70.7 Ų | 70.7 | 81% | 0.811 | 41% | 0.413 | S | S | * | . | | | trans | -108.6 | 0 | 175.1 | -63.2 | 0 | 0 | 0 | 0 | 110.5 | L1635 | L1635-C1639 PolarHBondContact O-N 2.41Š|