| 1 | M | 39.7 | Very low | 41.9 | Very low | 244 Ų | 244 | 160.4 Ų | 160.4 | 100% | 1.202 | 84% | 0.84 | S | S | * | * | | | | 0 | 106.6 | 0 | -77.5 | 174.2 | 179.4 | 0 | 0 | 106.7 | | |
| 2 | F | 38.1 | Very low | 41.7 | Very low | 197 Ų | 197 | 166 Ų | 166 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | | | trans | -75.3 | 130.3 | -178.8 | -75.6 | -92.5 | 0 | 0 | 0 | 109.9 | | |
| 3 | L | 46.9 | Very low | 40.9 | Very low | 172 Ų | 172 | 162.8 Ų | 162.8 | 90% | 0.901 | 84% | 0.842 | S | S | * | * | | | trans | -120.6 | 101.5 | 158.8 | -77.4 | 170.3 | 0 | 0 | 0 | 105.8 | | |
| 4 | N | 41 | Very low | 40.7 | Very low | 133 Ų | 133 | 159.1 Ų | 159.1 | 71% | 0.711 | 84% | 0.837 | S | S | * | * | | | trans | -108.9 | 111.5 | 167.3 | -82.3 | -8.9 | 0 | 0 | 0 | 108.2 | | |
| 5 | S | 45.8 | Very low | 40.3 | Very low | 121 Ų | 121 | 157.1 Ų | 157.1 | 85% | 0.846 | 83% | 0.834 | S | S | * | * | | | trans | -119.6 | 103 | 153.2 | -178.2 | 0 | 0 | 0 | 0 | 104.7 | | |
| 6 | E | 49.4 | Very low | 39.9 | Very low | 178 Ų | 178 | 158.4 Ų | 158.4 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | | | trans | -129.6 | 121.1 | 169 | -78.1 | -177.8 | 142.1 | 0 | 0 | 108.6 | | |
| 7 | F | 44.4 | Very low | 39.9 | Very low | 183 Ų | 183 | 155.5 Ų | 155.5 | 80% | 0.803 | 83% | 0.83 | S | S | * | * | | | trans | -95.4 | 123.9 | 169.6 | -174.9 | -87.9 | 0 | 0 | 0 | 104.5 | | |
| 8 | D | 40.2 | Very low | 40.7 | Very low | 164 Ų | 164 | 153.9 Ų | 153.9 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | | | trans | -142.4 | 141 | 163.7 | -137.4 | -21.3 | 0 | 0 | 0 | 112.7 | | |
| 9 | S | 39.2 | Very low | 40.5 | Very low | 81 Ų | 81 | 153.5 Ų | 153.5 | 57% | 0.566 | 83% | 0.832 | S | S | * | * | | | trans | -112.1 | 133.2 | -169.3 | -65.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 10 | M | 38.3 | Very low | 40.2 | Very low | 190 Ų | 190 | 149.2 Ų | 149.2 | 94% | 0.936 | 83% | 0.826 | S | S | * | * | | | trans | -161.3 | 102.8 | 152.9 | -99.8 | 177 | -176.1 | 0 | 0 | 106.3 | | |
| 11 | S | 37.9 | Very low | 40.1 | Very low | 101 Ų | 101 | 149.4 Ų | 149.4 | 71% | 0.706 | 83% | 0.826 | S | S | * | * | | | | 71.2 | 98.1 | 74.9 | -173.2 | 0 | 0 | 0 | 0 | 116 | | |
| 12 | R | 39.1 | Very low | 39.6 | Very low | 228 Ų | 228 | 142.8 Ų | 142.8 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | | 71.3 | 115.9 | 129.9 | -63.7 | 179.7 | 161.8 | -161.5 | -6.5 | 121.8 | | |
| 13 | C | 32.3 | Very low | 39.5 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | | -168 | 112.9 | 112.1 | -89.8 | 0 | 0 | 0 | 0 | 106.7 | | |
| 14 | S | 38.2 | Very low | 38.9 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | | 54.8 | 130 | 77.2 | -78.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 15 | T | 34.7 | Very low | 38.5 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | cis | -166.7 | 154.8 | -0.4 | -57.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 16 | E | 33.1 | Very low | 37.9 | Very low | 178 Ų | 178 | 145.5 Ų | 145.5 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | -52.3 | 146.6 | 168.8 | -121.4 | 166.4 | 129.1 | 0 | 0 | 116.6 | | |
| 17 | S | 39.5 | Very low | 37.1 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | 31.9 | 156.5 | 139.4 | -94.1 | 0 | 0 | 0 | 0 | 122.6 | | |
| 18 | P | 55.8 | Low | 36.5 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | cis | -156.9 | -169.6 | 49.9 | 41.7 | -17.1 | 0 | 0 | 0 | 118.9 | | |
| 19 | V | 36.5 | Very low | 36.2 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | | | trans | -60.9 | 158 | 175.9 | 128 | 0 | 0 | 0 | 0 | 117.6 | | |
| 20 | G | 34.7 | Very low | 35.9 | Very low | 68 Ų | 68 | 143.6 Ų | 143.6 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | trans | 99.9 | 143.1 | 152.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 21 | D | 36.5 | Very low | 35.6 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | | | cis | -174.1 | 161.3 | 4.9 | -145.6 | -23.2 | 0 | 0 | 0 | 109 | | |
| 22 | T | 31.1 | Very low | 35.3 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 64% | 0.644 | 76% | 0.761 | S | S | * | * | | | trans | 77.5 | 101 | 144.2 | -56.7 | 0 | 0 | 0 | 0 | 123 | | |
| 23 | L | 35 | Very low | 35.2 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | | | | 75.9 | 131.5 | 107.5 | -141.8 | 162.8 | 0 | 0 | 0 | 122.4 | | |
| 24 | M | 35 | Very low | 35.3 | Very low | 149 Ų | 149 | 141 Ų | 141 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | trans | 103 | 131.4 | 144.6 | -108.5 | -5.4 | 114.6 | 0 | 0 | 122.7 | | |
| 25 | Y | 31.5 | Very low | 35 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | | | trans | 74.9 | 107 | 159.7 | -84 | -94.3 | 0 | 0 | 0 | 121 | | |
| 26 | Y | 33.1 | Very low | 34.8 | Very low | 225 Ų | 225 | 139.6 Ų | 139.6 | 88% | 0.882 | 75% | 0.746 | S | S | * | * | | | | -168.7 | 154.6 | 91.3 | -112.1 | -88.1 | 0 | 0 | 0 | 112.2 | | |
| 27 | Q | 33.2 | Very low | 34.9 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 67% | 0.673 | 74% | 0.74 | S | S | * | * | | | trans | -107 | 158.8 | -160.2 | -176.1 | 176 | -0.2 | 0 | 0 | 111.1 | | |
| 28 | K | 31.8 | Very low | 34.8 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | | | | 127 | 115.5 | 127.4 | -156.3 | 74.8 | -178.6 | -168.9 | 0 | 116.5 | | |
| 29 | T | 33.6 | Very low | 33.7 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | | | trans | 73.6 | 142.8 | 143 | 54 | 0 | 0 | 0 | 0 | 119.6 | | |
| 30 | Q | 33.1 | Very low | 33.5 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | | | cis | -162.8 | 137.4 | 27 | -144.9 | 162.3 | -9.7 | 0 | 0 | 111.6 | | |
| 31 | D | 32.1 | Very low | 34 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | | | trans | 20.8 | 132.1 | 133.9 | -41.3 | -42.6 | 0 | 0 | 0 | 118 | | |
| 32 | D | 32.1 | Very low | 33.7 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 85% | 0.845 | 74% | 0.738 | S | S | * | * | | | | -150.7 | 144.9 | 72 | -89.9 | -40.4 | 0 | 0 | 0 | 115.4 | | |
| 33 | S | 36.7 | Very low | 33.9 | Very low | 92 Ų | 92 | 138 Ų | 138 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | | | trans | -80.9 | 151.6 | 173.4 | -69.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 34 | F | 34.1 | Very low | 33.8 | Very low | 214 Ų | 214 | 137.3 Ų | 137.3 | 94% | 0.939 | 76% | 0.758 | S | S | * | * | | | trans | -135.1 | 114.8 | 133.2 | -73.9 | -71.8 | 0 | 0 | 0 | 110 | | |
| 35 | S | 32.8 | Very low | 33.7 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | | | trans | -61.2 | 168 | 162.3 | -50.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 36 | T | 30.3 | Very low | 33.8 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | | | | -177.8 | 144.2 | 58.5 | -36.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 37 | S | 35.2 | Very low | 34 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | | | trans | 61.3 | 148.7 | 136 | 50.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 38 | S | 37.6 | Very low | 33.7 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | cis | 172.3 | 134.3 | -9.1 | 50.4 | 0 | 0 | 0 | 0 | 104.8 | | |
| 39 | A | 31.6 | Very low | 33.8 | Very low | 101 Ų | 101 | 131 Ų | 131 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | | | trans | 179.8 | 124 | 146.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 40 | S | 32.4 | Very low | 33.9 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | -104.7 | 172.2 | 148.5 | -52.4 | 0 | 0 | 0 | 0 | 106.2 | | |
| 41 | P | 45.6 | Very low | 34.2 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | cis | -140.6 | -177.1 | 13.7 | 38.5 | -17.6 | 0 | 0 | 0 | 114.3 | | |
| 42 | S | 29.8 | Very low | 34 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | | | trans | 145.2 | 135.6 | 133.2 | -56.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 43 | E | 36.3 | Very low | 34.4 | Very low | 196 Ų | 196 | 129 Ų | 129 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | | | trans | -72.3 | 141.5 | -178.6 | -53 | 178.6 | 132.5 | 0 | 0 | 112.5 | | |
| 44 | S | 32.5 | Very low | 34.4 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -158.6 | 126.8 | 149.9 | 61.1 | 0 | 0 | 0 | 0 | 111 | | |
| 45 | S | 33.1 | Very low | 34.8 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | -59 | 133.8 | 172.4 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 46 | A | 33.7 | Very low | 35.1 | Very low | 88 Ų | 88 | 128.2 Ų | 128.2 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -159.4 | 109.2 | 148.2 | 0 | 0 | 0 | 0 | 0 | 104.2 | | |
| 47 | Q | 35.6 | Very low | 36 | Very low | 180 Ų | 180 | 127.3 Ų | 127.3 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | | | | 39.3 | 63.5 | 59 | -70.4 | -168.2 | -0.9 | 0 | 0 | 112.5 | | |
| 48 | E | 28.3 | Very low | 36.3 | Very low | 184 Ų | 184 | 127.6 Ų | 127.6 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | | | trans | -96 | 105.3 | 146.6 | -78.6 | -153.8 | 148.9 | 0 | 0 | 108.6 | C50 | E48-C50 PolarHBondContact O-N 3.32Š|
| 49 | L | 32.5 | Very low | 36.5 | Very low | 148 Ų | 148 | 127.3 Ų | 127.3 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | | | trans | -60.5 | 120.4 | 163.4 | -85.8 | 76.5 | 0 | 0 | 0 | 108.5 | P51 | L49-P51 WeakPolarHBondContact O-CD 3.27Š|
| 50 | C | 36.7 | Very low | 37.1 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | | | trans | -67.1 | 125.4 | 150.6 | -58.2 | 0 | 0 | 0 | 0 | 107.5 | E48 D52 | E48-C50 PolarHBondContact O-N 3.32Å; C50-D52 PolarHBondContact O-N 2.76Å |
| 51 | P | 38.4 | Very low | 37.8 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | | | trans | -74.8 | 91.2 | 155.5 | 29.6 | -25.4 | 0 | 0 | 0 | 106.5 | L49 M53 | L49-P51 WeakPolarHBondContact O-CD 3.27Å; P51-M53 PolarHBondContact O-N 3.42Å |
| 52 | D | 29.8 | Very low | 37.6 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 68% | 0.684 | 76% | 0.755 | S | S | * | * | | | trans | -59.1 | 102.8 | 158.4 | -163.1 | 15.1 | 0 | 0 | 0 | 106.2 | C50 D54 | C50-D52 PolarHBondContact O-N 2.76Å; D52-D54 PolarHBondContact O-N 2.96Å |
| 53 | M | 39.4 | Very low | 38.6 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | trans | -76.7 | 89.2 | 170.4 | -82 | -75.1 | 97.8 | 0 | 0 | 107 | P51 I55 | P51-M53 PolarHBondContact O-N 3.42Å; M53-I55 PolarHBondContact O-N 3.08Å |
| 54 | D | 37.2 | Very low | 39.3 | Very low | 139 Ų | 139 | 125.8 Ų | 125.8 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | | | trans | -54.3 | 84.6 | 157.7 | -83.8 | -47.6 | 0 | 0 | 0 | 108.8 | D52 P56 | D52-D54 PolarHBondContact O-N 2.96Å; D54-P56 VanDerWaalsContact O-CD 3.28Å; D54-P56 WeakPolarHBondContact O-CD 3.42Å |
| 55 | I | 41.3 | Very low | 40.5 | Very low | 143 Ų | 143 | 126 Ų | 126 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | | | trans | -68.7 | 116.6 | 161 | -61.2 | 171.6 | 0 | 0 | 0 | 104.4 | M53 A57 | M53-I55 PolarHBondContact O-N 3.08Å; I55-A57 PolarHBondContact O-N 3.3Å |
| 56 | P | 40.9 | Very low | 41.5 | Very low | 101 Ų | 101 | 125 Ų | 125 | 66% | 0.656 | 74% | 0.735 | S | S | * | * | | | trans | -60 | 112.9 | 169.5 | 24.3 | -30.6 | 0 | 0 | 0 | 106.5 | D54 T58 | D54-P56 VanDerWaalsContact O-CD 3.28Å; D54-P56 WeakPolarHBondContact O-CD 3.42Å; P56-T58 PolarHBondContact O-N 3.15Å |
| 57 | A | 48.5 | Very low | 42.3 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 81% | 0.81 | 72% | 0.724 | S | S | * | * | | | trans | -60.8 | 81.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | I55 S59 | I55-A57 PolarHBondContact O-N 3.3Å; A57-S59 PolarHBondContact O-N 3.42Å |
| 58 | T | 40.6 | Very low | 42.9 | Very low | 106 Ų | 106 | 120.6 Ų | 120.6 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | | | trans | -66 | 99.6 | 164.9 | 64 | 0 | 0 | 0 | 0 | 104.4 | P56 F60 | P56-T58 PolarHBondContact O-N 3.15Å; T58-F60 PolarHBondContact O-N 3.27Å |
| 59 | S | 43.4 | Very low | 44.1 | Very low | 102 Ų | 102 | 118.8 Ų | 118.8 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | | | trans | -58.7 | 86.7 | 167.2 | -177 | 0 | 0 | 0 | 0 | 106.7 | A57 V61 | A57-S59 PolarHBondContact O-N 3.42Å; S59-V61 PolarHBondContact O-N 2.81Å |
| 60 | F | 42.5 | Very low | 45.1 | Very low | 183 Ų | 183 | 115.2 Ų | 115.2 | 80% | 0.803 | 70% | 0.697 | S | S | * | * | | | trans | -75.9 | 78.8 | 177.3 | -146 | -89.1 | 0 | 0 | 0 | 107 | T58 P62 | T58-F60 PolarHBondContact O-N 3.27Å; F60-P62 WeakPolarHBondContact O-CD 3.43Å |
| 61 | V | 48.6 | Very low | 46.4 | Very low | 98 Ų | 98 | 115 Ų | 115 | 59% | 0.594 | 69% | 0.694 | S | S | * | * | | | trans | -72.7 | 118 | 167.4 | -177.8 | 0 | 0 | 0 | 0 | 105.9 | S59 T63 | S59-V61 PolarHBondContact O-N 2.81Å; V61-T63 PolarHBondContact O-N 3.36Å |
| 62 | P | 39.9 | Very low | 47.6 | Very low | 100 Ų | 100 | 115.6 Ų | 115.6 | 65% | 0.649 | 69% | 0.691 | S | S | * | * | | | trans | -68.6 | 102.2 | 174.8 | -10.7 | 26 | 0 | 0 | 0 | 107.9 | F60 V64 | F60-P62 WeakPolarHBondContact O-CD 3.43Å; P62-V64 PolarHBondContact O-N 3.05Å |
| 63 | T | 51 | Low | 49.2 | Very low | 116 Ų | 116 | 111.6 Ų | 111.6 | 71% | 0.712 | 67% | 0.669 | S | S | * | * | | | trans | -68.6 | 99.5 | 170.6 | -55.2 | 0 | 0 | 0 | 0 | 108.2 | V61 T65 | V61-T63 PolarHBondContact O-N 3.36Å; T63-T65 VanDerWaalsContact C-N 3.27Å; T63-T65 WeakPolarHBondContact CG2-OG1 3.27Å; T63-T65 PolarHBondContact O-N 3.21Å |
| 64 | V | 51 | Low | 50.2 | Low | 116 Ų | 116 | 111.1 Ų | 111.1 | 70% | 0.703 | 67% | 0.666 | S | S | * | * | | | trans | -74.8 | 78.2 | 177 | -170.5 | 0 | 0 | 0 | 0 | 109.6 | P62 I67 | P62-V64 PolarHBondContact O-N 3.05Å; V64-I67 HydrophobicContact CG1-CD1 4.47Å |
| 65 | T | 58.8 | Low | 51.6 | Low | 124 Ų | 124 | 112.7 Ų | 112.7 | 76% | 0.761 | 66% | 0.661 | S | S | * | * | | | trans | -137.7 | 41.4 | 167.3 | 37.6 | 0 | 0 | 0 | 0 | 112.2 | T63 | T63-T65 VanDerWaalsContact C-N 3.27Å; T63-T65 WeakPolarHBondContact CG2-OG1 3.27Å; T63-T65 PolarHBondContact O-N 3.21Å |
| 66 | A | 53.6 | Low | 52.6 | Low | 96 Ų | 96 | 110.6 Ų | 110.6 | 79% | 0.793 | 65% | 0.649 | S | S | * | * | | | trans | -132.8 | 57.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 67 | I | 49.7 | Very low | 53.7 | Low | 95 Ų | 95 | 110.1 Ų | 110.1 | 49% | 0.487 | 64% | 0.644 | S | S | . | * | | | trans | -145.3 | 107.4 | 160.1 | 7.8 | 172 | 0 | 0 | 0 | 106.9 | V64 L73 | V64-I67 HydrophobicContact CG1-CD1 4.47Å; I67-L73 HydrophobicContact CG2-CD1 3.72Å |
| 68 | S | 49.3 | Very low | 54 | Low | 82 Ų | 82 | 112.8 Ų | 112.8 | 57% | 0.573 | 64% | 0.64 | S | S | * | * | | | trans | 167.9 | 85.3 | 144.4 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 69 | T | 53.2 | Low | 54.6 | Low | 145 Ų | 145 | 113 Ų | 113 | 89% | 0.89 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -136.8 | 27.1 | 145 | 55.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 70 | T | 52.3 | Low | 54.9 | Low | 73 Ų | 73 | 113.9 Ų | 113.9 | 45% | 0.448 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -111.8 | 127.9 | 167.3 | 48.4 | 0 | 0 | 0 | 0 | 109.8 | D72 L73 | T70-D72 PolarHBondContact O-N 3.26Å; T70-L73 PolarHBondContact O-N 2.91Å; T70-L73 WeakPolarHBondContact OG1-CD1 3.35Å |
| 71 | P | 65.3 | Low | 55.3 | Low | 111 Ų | 111 | 111.9 Ų | 111.9 | 72% | 0.721 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -7.7 | -174.9 | 24.1 | -32.7 | 0 | 0 | 0 | 114.4 | Q74 | P71-Q74 WeakPolarHBondContact O-CG 3.48Å; P71-Q74 PolarHBondContact O-NE2 3.43Å |
| 72 | D | 64.1 | Low | 55.3 | Low | 122 Ų | 122 | 114.1 Ų | 114.1 | 65% | 0.652 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -9.1 | -179.7 | -166.1 | 40.2 | 0 | 0 | 0 | 113.7 | T70 W75 | T70-D72 PolarHBondContact O-N 3.26Å; D72-W75 PolarHBondContact O-NE1 2.93Å |
| 73 | L | 63.4 | Low | 55 | Low | 44 Ų | 44 | 114.9 Ų | 114.9 | 23% | 0.23 | 65% | 0.651 | C | S | . | * | S | Bend | trans | -105.5 | -2.5 | -178.8 | -58.7 | 179.8 | 0 | 0 | 0 | 113.9 | I67 T70 W75 M76 | I67-L73 HydrophobicContact CG2-CD1 3.72Å; T70-L73 PolarHBondContact O-N 2.91Å; T70-L73 WeakPolarHBondContact OG1-CD1 3.35Å; L73-W75 PolarHBondContact O-N 3.23Å; L73-W75 VanDerWaalsContact O-N 3.16Å; L73-M76 HydrophobicContact CB-CE 4.46Å; L73-M76 HydrophobicContact CD2-CE 3.97Å; L73-M76 PolarHBondContact O-N 3.39Å |
| 74 | Q | 60.2 | Low | 54.5 | Low | 140 Ų | 140 | 114 Ų | 114 | 65% | 0.654 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -25.9 | -178.9 | 67 | -177.4 | -43.6 | 0 | 0 | 113.8 | P71 M76 V77 | P71-Q74 WeakPolarHBondContact O-CG 3.48Å; P71-Q74 PolarHBondContact O-NE2 3.43Å; Q74-M76 VanDerWaalsContact C-N 3.29Å; Q74-M76 PolarHBondContact O-N 3.17Å; Q74-V77 PolarHBondContact O-N 3.13Å |
| 75 | W | 65.1 | Low | 53.8 | Low | 171 Ų | 171 | 114.5 Ų | 114.5 | 65% | 0.648 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -20.6 | 178.2 | 60.9 | -97.1 | 0 | 0 | 0 | 112.9 | D72 L73 | D72-W75 PolarHBondContact O-NE1 2.93Å; L73-W75 PolarHBondContact O-N 3.23Å; L73-W75 VanDerWaalsContact O-N 3.16Å |
| 76 | M | 63 | Low | 52.9 | Low | 99 Ų | 99 | 114.6 Ų | 114.6 | 49% | 0.488 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | -23.2 | 176.6 | -76.1 | -165.8 | -34.1 | 0 | 0 | 113.2 | L73 Q74 Q78 | L73-M76 HydrophobicContact CB-CE 4.46Å; L73-M76 HydrophobicContact CD2-CE 3.97Å; L73-M76 PolarHBondContact O-N 3.39Å; Q74-M76 VanDerWaalsContact C-N 3.29Å; Q74-M76 PolarHBondContact O-N 3.17Å; M76-Q78 PolarHBondContact O-N 2.92Å |
| 77 | V | 63.8 | Low | 52.4 | Low | 91 Ų | 91 | 116 Ų | 116 | 55% | 0.552 | 66% | 0.659 | S | S | * | * | | | trans | -102.5 | 72.9 | -178.3 | -168 | 0 | 0 | 0 | 0 | 108.6 | Q74 P79 | Q74-V77 PolarHBondContact O-N 3.13Å; V77-P79 WeakPolarHBondContact O-CD 3.47Å |
| 78 | Q | 54.2 | Low | 51.8 | Low | 155 Ų | 155 | 116.1 Ų | 116.1 | 72% | 0.724 | 67% | 0.669 | S | S | * | * | | | trans | -90.2 | 116.6 | 164.8 | -75.9 | -158.9 | 56 | 0 | 0 | 109.7 | M76 T80 | M76-Q78 PolarHBondContact O-N 2.92Å; Q78-T80 PolarHBondContact O-N 3.47Å |
| 79 | P | 53.1 | Low | 51.3 | Low | 110 Ų | 110 | 120.5 Ų | 120.5 | 71% | 0.714 | 68% | 0.684 | S | S | * | * | | | trans | -67.7 | 101.1 | 170.1 | -12.2 | 27.1 | 0 | 0 | 0 | 108.8 | V77 I81 | V77-P79 WeakPolarHBondContact O-CD 3.47Å; P79-I81 VanDerWaalsContact C-N 3.32Å; P79-I81 HydrophobicContact CB-CG1 4.5Å; P79-I81 PolarHBondContact O-N 3.31Å |
| 80 | T | 51.2 | Low | 50.4 | Low | 121 Ų | 121 | 117.1 Ų | 117.1 | 74% | 0.742 | 68% | 0.679 | S | S | * | * | | | trans | -79.2 | 87.9 | 169.6 | -57.8 | 0 | 0 | 0 | 0 | 107.9 | Q78 I82 | Q78-T80 PolarHBondContact O-N 3.47Å; T80-I82 HydrophobicContact CG2-CG1 4.19Å; T80-I82 PolarHBondContact O-N 3.4Å |
| 81 | I | 51.1 | Low | 49.4 | Very low | 140 Ų | 140 | 119.2 Ų | 119.2 | 72% | 0.718 | 70% | 0.696 | S | S | * | * | | | trans | -76.1 | 103.3 | 169.7 | -20.8 | 178.3 | 0 | 0 | 0 | 106.9 | P79 T83 | P79-I81 VanDerWaalsContact C-N 3.32Å; P79-I81 HydrophobicContact CB-CG1 4.5Å; P79-I81 PolarHBondContact O-N 3.31Å; I81-T83 VanDerWaalsContact C-N 3.3Å; I81-T83 PolarHBondContact O-N 2.95Å |
| 82 | I | 48.6 | Very low | 48.2 | Very low | 145 Ų | 145 | 123 Ų | 123 | 74% | 0.744 | 70% | 0.702 | S | S | * | * | | | trans | -75 | 88.1 | 169 | -58.1 | 174.9 | 0 | 0 | 0 | 106.9 | T80 S84 | T80-I82 HydrophobicContact CG2-CG1 4.19Å; T80-I82 PolarHBondContact O-N 3.4Å; I82-S84 PolarHBondContact O-N 3.27Å |
| 83 | T | 33.3 | Very low | 47 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 71% | 0.712 | 71% | 0.712 | S | S | * | * | | | trans | -87.3 | 92.7 | 171.5 | -66.4 | 0 | 0 | 0 | 0 | 109.4 | I81 | I81-T83 VanDerWaalsContact C-N 3.3Å; I81-T83 PolarHBondContact O-N 2.95Å |
| 84 | S | 40.4 | Very low | 45.7 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | | | trans | -90.2 | 102.4 | 156.8 | 54.4 | 0 | 0 | 0 | 0 | 108.6 | I82 | I82-S84 PolarHBondContact O-N 3.27Š|
| 85 | V | 35.9 | Very low | 44.5 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | | | trans | 172.8 | 126.8 | 139.4 | -84.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 86 | S | 39.2 | Very low | 43.1 | Very low | 125 Ų | 125 | 129 Ų | 129 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | | | trans | -73.6 | 148.8 | 168.3 | -63.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 87 | P | 44.1 | Very low | 41.8 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -132.9 | 142.6 | 136.9 | 26.6 | -9.1 | 0 | 0 | 0 | 113.5 | | |
| 88 | S | 37.6 | Very low | 40.8 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | trans | -80.3 | 149.1 | 173.1 | 164.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 89 | L | 38.2 | Very low | 39.9 | Very low | 173 Ų | 173 | 132 Ų | 132 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | | | trans | 62.3 | 124.3 | 156.6 | -69 | 159.6 | 0 | 0 | 0 | 119.7 | | |
| 90 | G | 34.1 | Very low | 39.3 | Very low | 75 Ų | 75 | 131.2 Ų | 131.2 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | 134.1 | 110.9 | 139.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 91 | S | 32.4 | Very low | 38.7 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | trans | 68.2 | 107.6 | 136.8 | -162.2 | 0 | 0 | 0 | 0 | 123.4 | | |
| 92 | K | 39.7 | Very low | 38.1 | Very low | 192 Ų | 192 | 139.6 Ų | 139.6 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | | 37.4 | 127.1 | 128.8 | -49.8 | -152.7 | 178.1 | -167.4 | 0 | 123 | | |
| 93 | Q | 39.5 | Very low | 37.6 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | | | | 148.1 | 112.3 | 128.3 | -84.4 | -177 | -18.1 | 0 | 0 | 109 | | |
| 94 | A | 35.4 | Very low | 38.4 | Very low | 87 Ų | 87 | 138.1 Ų | 138.1 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | | | | 68.6 | 99.7 | 79.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 95 | N | 35.4 | Very low | 38.5 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | | | | -176 | 145.1 | 125.2 | -100.3 | -20.1 | 0 | 0 | 0 | 114 | | |
| 96 | E | 35.6 | Very low | 38.8 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | | | trans | -54.9 | 163.5 | 175.7 | -74.7 | -178.9 | 109.6 | 0 | 0 | 114.3 | | |
| 97 | V | 35.8 | Very low | 38.7 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 71% | 0.709 | 81% | 0.812 | S | S | * | * | | | | -161.9 | 131.9 | 60.5 | 169 | 0 | 0 | 0 | 0 | 112.7 | | |
| 98 | Q | 41.6 | Very low | 38.4 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | 20.5 | 128.4 | 144.4 | -53.2 | 174.4 | -30.7 | 0 | 0 | 121.5 | | |
| 99 | S | 36.4 | Very low | 38.5 | Very low | 125 Ų | 125 | 140 Ų | 140 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | | -171.3 | 144.7 | 104.9 | -167 | 0 | 0 | 0 | 0 | 112.7 | | |
| 100 | S | 40.4 | Very low | 38.8 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 64% | 0.643 | 81% | 0.809 | S | S | * | * | | | trans | -75 | 140.3 | -169.4 | 175.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 101 | R | 38.4 | Very low | 39.4 | Very low | 247 Ų | 247 | 145 Ų | 145 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | | | trans | -159.7 | 122.8 | 130 | -103.8 | 164.2 | -166 | -132.9 | 2.4 | 111.1 | | |
| 102 | Q | 38.8 | Very low | 40.4 | Very low | 190 Ų | 190 | 142.9 Ų | 142.9 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | | | trans | -66.1 | 131 | 179.8 | -65 | 167 | -21.6 | 0 | 0 | 111.2 | | |
| 103 | A | 37.5 | Very low | 40.9 | Very low | 100 Ų | 100 | 142.4 Ų | 142.4 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | | | trans | -150.6 | 136.3 | 145.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 104 | T | 50.9 | Low | 41.4 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -69.6 | 154.8 | -161.7 | 47 | 0 | 0 | 0 | 0 | 114.6 | | |
| 105 | P | 40.8 | Very low | 42 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | trans | -88 | 120.5 | 176.8 | 33.5 | -27.9 | 0 | 0 | 0 | 110.1 | | |
| 106 | K | 43.2 | Very low | 42.8 | Very low | 200 Ų | 200 | 137.1 Ų | 137.1 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | | | trans | -102.9 | 101.5 | 153.7 | -82.7 | -165.3 | 174 | -177.3 | 0 | 108.9 | G108 | K106-G108 PolarHBondContact O-N 3.4Š|
| 107 | V | 37.6 | Very low | 43.6 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | trans | 9.3 | 103.7 | 137 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 108 | G | 37.4 | Very low | 44.4 | Very low | 76 Ų | 76 | 143 Ų | 143 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | | | | 83.3 | 125.8 | 92.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | K106 | K106-G108 PolarHBondContact O-N 3.4Š|
| 109 | G | 39.8 | Very low | 44.9 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | | | cis | 163.8 | 139.2 | 8.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 110 | S | 44.9 | Very low | 45.3 | Very low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | 164 | 81.3 | 154.8 | -81.3 | 0 | 0 | 0 | 0 | 106.3 | | |
| 111 | R | 45.7 | Very low | 45.9 | Very low | 236 Ų | 236 | 142.1 Ų | 142.1 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | | | | 42.8 | 88 | 79 | -137.7 | 169.2 | -165.7 | 160.7 | 3.1 | 110.1 | K113 | R111-K113 PolarHBondContact O-N 2.89Å; R111-K113 VanDerWaalsContact O-N 3.14Å |
| 112 | G | 53.4 | Low | 46.5 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | | | trans | -45 | 118.4 | 166 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 113 | K | 49.7 | Very low | 47.2 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 79% | 0.787 | 78% | 0.779 | S | S | * | * | | | trans | -109 | 94.1 | 170.3 | -105.8 | 173 | 172.5 | 174.9 | 0 | 107.2 | R111 T115 | R111-K113 PolarHBondContact O-N 2.89Å; R111-K113 VanDerWaalsContact O-N 3.14Å; K113-T115 VanDerWaalsContact C-N 3.29Å; K113-T115 PolarHBondContact O-N 3.18Å |
| 114 | N | 50.8 | Low | 48.1 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | | | trans | -55.4 | 99.3 | 154.8 | -53.6 | 15.3 | 0 | 0 | 0 | 106.2 | | |
| 115 | T | 48 | Very low | 48.8 | Very low | 81 Ų | 81 | 131.6 Ų | 131.6 | 50% | 0.497 | 74% | 0.739 | S | S | . | * | | | trans | -139.9 | 117.7 | 160.2 | 52.9 | 0 | 0 | 0 | 0 | 105.9 | K113 R117 | K113-T115 VanDerWaalsContact C-N 3.29Å; K113-T115 PolarHBondContact O-N 3.18Å; T115-R117 PolarHBondContact O-N 3.44Å |
| 116 | G | 52.6 | Low | 50.5 | Low | 87 Ų | 87 | 130.9 Ų | 130.9 | 90% | 0.897 | 73% | 0.734 | S | S | * | * | | | trans | -53.4 | 96 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | K118 | G116-K118 VanDerWaalsContact C-N 3.34Å; G116-K118 PolarHBondContact O-N 2.84Å |
| 117 | R | 52.9 | Low | 52.2 | Low | 195 Ų | 195 | 128.5 Ų | 128.5 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | | | trans | -90 | 88.6 | 165.6 | -69.1 | -171.5 | -175.8 | -164.4 | -0.2 | 105.6 | T115 G119 | T115-R117 PolarHBondContact O-N 3.44Å; R117-G119 PolarHBondContact O-N 3.37Å |
| 118 | K | 51.3 | Low | 54.6 | Low | 204 Ų | 204 | 127.2 Ų | 127.2 | 89% | 0.887 | 71% | 0.711 | S | S | * | * | | | trans | -27.9 | 115.3 | 141.4 | -177.3 | 170.6 | -179.5 | 175.1 | 0 | 107 | G116 K120 | G116-K118 VanDerWaalsContact C-N 3.34Å; G116-K118 PolarHBondContact O-N 2.84Å; K118-K120 PolarHBondContact O-N 2.83Å |
| 119 | G | 51.8 | Low | 57.1 | Low | 60 Ų | 60 | 128.9 Ų | 128.9 | 62% | 0.619 | 70% | 0.698 | S | S | * | * | | | trans | -39.4 | 110.8 | -166.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | R117 I121 | R117-G119 PolarHBondContact O-N 3.37Å; G119-I121 PolarHBondContact O-N 3.02Å |
| 120 | K | 44.7 | Very low | 59.6 | Low | 151 Ų | 151 | 131.6 Ų | 131.6 | 66% | 0.657 | 69% | 0.692 | S | S | * | * | | | trans | -60.4 | 107.7 | 148.4 | -161.6 | -172.8 | 179.1 | -145.7 | 0 | 102 | K118 E122 | K118-K120 PolarHBondContact O-N 2.83Å; K120-E122 IonicContact NZ-OE1 3.81Å; K120-E122 PolarHBondContact O-N 2.85Å |
| 121 | I | 53 | Low | 61.9 | Low | 157 Ų | 157 | 132.1 Ų | 132.1 | 81% | 0.805 | 68% | 0.679 | S | S | * | * | | | trans | -63.4 | 68 | 165.2 | -62.6 | 152.2 | 0 | 0 | 0 | 104.5 | G119 Q123 | G119-I121 PolarHBondContact O-N 3.02Å; I121-Q123 VanDerWaalsContact C-N 3.29Å; I121-Q123 PolarHBondContact O-N 2.65Å |
| 122 | E | 50.8 | Low | 64.3 | Low | 136 Ų | 136 | 125.6 Ų | 125.6 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | | | trans | -66.2 | 108.2 | 152.6 | -162.1 | 142.3 | -129.4 | 0 | 0 | 100.9 | K120 L124 | K120-E122 IonicContact NZ-OE1 3.81Å; K120-E122 PolarHBondContact O-N 2.85Å; E122-L124 PolarHBondContact O-N 3.38Å |
| 123 | Q | 53.4 | Low | 66.3 | Low | 180 Ų | 180 | 130.1 Ų | 130.1 | 84% | 0.841 | 65% | 0.652 | S | S | * | * | | | trans | -54 | 86.6 | 173 | -65.2 | -175 | 12.8 | 0 | 0 | 106.4 | I121 S125 | I121-Q123 VanDerWaalsContact C-N 3.29Å; I121-Q123 PolarHBondContact O-N 2.65Å; Q123-S125 PolarHBondContact O-N 3.14Å |
| 124 | L | 56.6 | Low | 68.5 | Low | 75 Ų | 75 | 123.5 Ų | 123.5 | 39% | 0.393 | 63% | 0.627 | S | S | . | * | | | trans | -51.4 | 128 | 156.4 | -67.7 | 174.6 | 0 | 0 | 0 | 103.2 | E122 E128 | E122-L124 PolarHBondContact O-N 3.38Å; L124-E128 HydrophobicContact CB-CB 4.19Å |
| 125 | S | 66.8 | Low | 70.8 | Confident | 56 Ų | 56 | 123.2 Ų | 123.2 | 39% | 0.392 | 61% | 0.614 | S | S | . | * | | | trans | -46.1 | 136 | 175 | 177.1 | 0 | 0 | 0 | 0 | 107 | Q123 E127 E128 E129 | Q123-S125 PolarHBondContact O-N 3.14Å; S125-E127 CarbonylContact O-C 3.55Å; S125-E127 PolarHBondContact O-N 2.93Å; S125-E128 WeakPolarHBondContact O-CA 3.38Å; S125-E128 WeakPolarHBondContact O-CB 3.31Å; S125-E128 PolarHBondContact O-N 3.33Å; S125-E129 PolarHBondContact O-N 2.84Å |
| 126 | P | 76.4 | Confident | 73.2 | Confident | 110 Ų | 110 | 127.3 Ų | 127.3 | 71% | 0.714 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -47.7 | -30.3 | -177.3 | 15.7 | -30.3 | 0 | 0 | 0 | 112.5 | E130 | P126-E130 PolarHBondContact O-N 3.38Å; P126-E130 VanDerWaalsContact O-N 3.08Å |
| 127 | E | 79.5 | Confident | 75.3 | Confident | 150 Ų | 150 | 128.8 Ų | 128.8 | 70% | 0.701 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.5 | -40 | 172.4 | -167.7 | 176.9 | -177.4 | 0 | 0 | 114.8 | S125 K131 | S125-E127 CarbonylContact O-C 3.55Å; S125-E127 PolarHBondContact O-N 2.93Å; E127-K131 PolarHBondContact O-N 3.38Å |
| 128 | E | 87.3 | Confident | 77.5 | Confident | 113 Ų | 113 | 127.7 Ų | 127.7 | 53% | 0.528 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -71.5 | -35.5 | 176.1 | -67.6 | -174.7 | 148.6 | 0 | 0 | 112.3 | L124 S125 K131 K132 | L124-E128 HydrophobicContact CB-CB 4.19Å; S125-E128 WeakPolarHBondContact O-CA 3.38Å; S125-E128 WeakPolarHBondContact O-CB 3.31Å; S125-E128 PolarHBondContact O-N 3.33Å; E128-K131 PolarHBondContact O-N 2.93Å; E128-K132 WeakPolarHBondContact O-CB 3.46Å; E128-K132 PolarHBondContact O-N 3.5Å |
| 129 | E | 90.1 | Very high | 79.7 | Confident | 112 Ų | 112 | 123.3 Ų | 123.3 | 52% | 0.523 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67 | -39.8 | 174.6 | -175.8 | 164.5 | -147.3 | 0 | 0 | 111.4 | S125 K132 R133 | S125-E129 PolarHBondContact O-N 2.84Å; E129-K132 WeakPolarHBondContact O-CB 3.26Å; E129-K132 PolarHBondContact O-N 3.31Å; E129-R133 PolarHBondContact O-N 3.1Å |
| 130 | E | 91.4 | Very high | 82 | Confident | 127 Ų | 127 | 127.9 Ų | 127.9 | 59% | 0.593 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63 | -47.5 | 173.8 | -174.9 | 167.4 | -157 | 0 | 0 | 111.7 | P126 K132 R133 V134 | P126-E130 PolarHBondContact O-N 3.38Å; P126-E130 VanDerWaalsContact O-N 3.08Å; E130-K132 PolarHBondContact O-N 3.35Å; E130-R133 WeakPolarHBondContact O-CA 3.43Å; E130-R133 WeakPolarHBondContact O-CB 3.49Å; E130-R133 PolarHBondContact O-N 2.93Å; E130-V134 WeakPolarHBondContact O-CG2 3.3Å; E130-V134 PolarHBondContact O-N 2.89Å |
| 131 | K | 94.1 | Very high | 84.5 | Confident | 129 Ų | 129 | 126.6 Ų | 126.6 | 56% | 0.561 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -56.4 | -39.1 | 174.6 | -174.6 | 175.2 | -175.7 | 173.3 | 0 | 112.2 | E127 E128 R135 | E127-K131 PolarHBondContact O-N 3.38Å; E128-K131 PolarHBondContact O-N 2.93Å; K131-R135 WeakPolarHBondContact O-CG 3.42Å; K131-R135 PolarHBondContact O-N 3.39Å; K131-R135 VanDerWaalsContact O-N 3.07Å |
| 132 | K | 95.4 | Very high | 86.7 | Confident | 99 Ų | 99 | 121.8 Ų | 121.8 | 43% | 0.43 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.9 | -40.6 | 175.8 | -175.1 | 178.4 | -178.4 | 178.5 | 0 | 112.1 | E128 E129 E130 R135 R136 | E128-K132 WeakPolarHBondContact O-CB 3.46Å; E128-K132 PolarHBondContact O-N 3.5Å; E129-K132 WeakPolarHBondContact O-CB 3.26Å; E129-K132 PolarHBondContact O-N 3.31Å; E130-K132 PolarHBondContact O-N 3.35Å; K132-R135 PolarHBondContact O-N 3.27Å; K132-R136 WeakPolarHBondContact O-CG 3.49Å; K132-R136 PolarHBondContact O-N 3.4Å |
| 133 | R | 95.6 | Very high | 89 | Confident | 166 Ų | 166 | 117 Ų | 117 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.7 | -50 | 174.5 | -176.5 | -173.3 | -63.2 | -101.8 | -0.2 | 110.7 | E129 E130 R135 R136 E137 | E129-R133 PolarHBondContact O-N 3.1Å; E130-R133 WeakPolarHBondContact O-CA 3.43Å; E130-R133 WeakPolarHBondContact O-CB 3.49Å; E130-R133 PolarHBondContact O-N 2.93Å; R133-R135 VanDerWaalsContact C-N 3.31Å; R133-R135 PolarHBondContact O-N 2.89Å; R133-R136 PolarHBondContact O-N 3.12Å; R133-R136 VanDerWaalsContact O-N 3.1Å; R133-E137 WeakPolarHBondContact O-CB 3.34Å; R133-E137 PolarHBondContact O-N 2.61Å |
| 134 | V | 96.3 | Very high | 91.1 | Very high | 43 Ų | 43 | 110.9 Ų | 110.9 | 26% | 0.261 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 178.4 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | E130 E137 R138 | E130-V134 WeakPolarHBondContact O-CG2 3.3Å; E130-V134 PolarHBondContact O-N 2.89Å; V134-E137 PolarHBondContact O-N 3.42Å; V134-R138 WeakPolarHBondContact O-CB 3.35Å; V134-R138 WeakPolarHBondContact O-CG 3.26Å; V134-R138 PolarHBondContact O-N 3.27Å |
| 135 | R | 98.1 | Very high | 93.1 | Very high | 157 Ų | 157 | 115 Ų | 115 | 59% | 0.592 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.4 | -42.3 | 175 | -75.7 | -132.3 | 175.7 | 96.4 | -7 | 112.9 | K131 K132 R133 N139 | K131-R135 WeakPolarHBondContact O-CG 3.42Å; K131-R135 PolarHBondContact O-N 3.39Å; K131-R135 VanDerWaalsContact O-N 3.07Å; K132-R135 PolarHBondContact O-N 3.27Å; R133-R135 VanDerWaalsContact C-N 3.31Å; R133-R135 PolarHBondContact O-N 2.89Å; R135-N139 WeakPolarHBondContact O-CB 3.49Å; R135-N139 PolarHBondContact O-N 3.4Å |
| 136 | R | 98.1 | Very high | 94.6 | Very high | 167 Ų | 167 | 116.5 Ų | 116.5 | 63% | 0.63 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.1 | -39 | 176.5 | -74.3 | 179.1 | 174 | 179.4 | -4.8 | 111.9 | K132 R133 N139 K140 | K132-R136 WeakPolarHBondContact O-CG 3.49Å; K132-R136 PolarHBondContact O-N 3.4Å; R133-R136 PolarHBondContact O-N 3.12Å; R133-R136 VanDerWaalsContact O-N 3.1Å; R136-N139 PolarHBondContact O-N 3.41Å; R136-K140 VanDerWaalsContact O-CB 3.26Å; R136-K140 WeakPolarHBondContact O-CB 3.45Å; R136-K140 PolarHBondContact O-N 3.26Å |
| 137 | E | 97.9 | Very high | 95.7 | Very high | 117 Ų | 117 | 120.2 Ų | 120.2 | 55% | 0.547 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.5 | -47.7 | 176.9 | -173.2 | 169.1 | -161.3 | 0 | 0 | 111.3 | R133 V134 N139 K140 M141 | R133-E137 WeakPolarHBondContact O-CB 3.34Å; R133-E137 PolarHBondContact O-N 2.61Å; V134-E137 PolarHBondContact O-N 3.42Å; E137-N139 VanDerWaalsContact C-N 3.32Å; E137-N139 PolarHBondContact O-N 3.05Å; E137-K140 WeakPolarHBondContact O-CB 3.48Å; E137-K140 PolarHBondContact O-N 3.02Å; E137-K140 VanDerWaalsContact O-N 3.14Å; E137-M141 WeakPolarHBondContact O-CG 3.17Å; E137-M141 PolarHBondContact O-N 2.95Å |
| 138 | R | 98.6 | Very high | 96.6 | Very high | 173 Ų | 173 | 116.5 Ų | 116.5 | 65% | 0.653 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57.6 | -43.8 | 172.7 | -72.2 | 179.8 | -173.6 | 135.2 | 3.3 | 112.1 | V134 M141 A142 | V134-R138 WeakPolarHBondContact O-CB 3.35Å; V134-R138 WeakPolarHBondContact O-CG 3.26Å; V134-R138 PolarHBondContact O-N 3.27Å; R138-M141 PolarHBondContact O-N 3.23Å; R138-A142 WeakPolarHBondContact O-CB 3.33Å; R138-A142 PolarHBondContact O-N 3.46Å |
| 139 | N | 98.3 | Very high | 97.2 | Very high | 112 Ų | 112 | 120.3 Ų | 120.3 | 60% | 0.599 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.3 | -38.5 | 176.7 | -178.4 | -100.8 | 0 | 0 | 0 | 112.4 | R135 R136 E137 M141 A142 A143 | R135-N139 WeakPolarHBondContact O-CB 3.49Å; R135-N139 PolarHBondContact O-N 3.4Å; R136-N139 PolarHBondContact O-N 3.41Å; E137-N139 VanDerWaalsContact C-N 3.32Å; E137-N139 PolarHBondContact O-N 3.05Å; N139-M141 VanDerWaalsContact C-N 3.35Å; N139-A142 PolarHBondContact O-N 2.86Å; N139-A143 WeakPolarHBondContact O-CB 3.5Å; N139-A143 PolarHBondContact O-N 3.28Å |
| 140 | K | 98.6 | Very high | 97.6 | Very high | 156 Ų | 156 | 124.2 Ų | 124.2 | 68% | 0.678 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -59.8 | -46.1 | 174.1 | -176.7 | -176.5 | 178.7 | -172.3 | 0 | 110.6 | R136 E137 A143 A144 | R136-K140 VanDerWaalsContact O-CB 3.26Å; R136-K140 WeakPolarHBondContact O-CB 3.45Å; R136-K140 PolarHBondContact O-N 3.26Å; E137-K140 WeakPolarHBondContact O-CB 3.48Å; E137-K140 PolarHBondContact O-N 3.02Å; E137-K140 VanDerWaalsContact O-N 3.14Å; K140-A143 PolarHBondContact O-N 3.39Å; K140-A144 WeakPolarHBondContact O-CB 3.48Å; K140-A144 PolarHBondContact O-N 3.44Å |
| 141 | M | 98.4 | Very high | 97.9 | Very high | 123 Ų | 123 | 125.4 Ų | 125.4 | 61% | 0.606 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.7 | -42.6 | 176.4 | -63.8 | -51.8 | -70.7 | 0 | 0 | 111.9 | E137 R138 N139 A143 A144 K145 | E137-M141 WeakPolarHBondContact O-CG 3.17Å; E137-M141 PolarHBondContact O-N 2.95Å; R138-M141 PolarHBondContact O-N 3.23Å; N139-M141 VanDerWaalsContact C-N 3.35Å; M141-A143 PolarHBondContact O-N 2.78Å; M141-A144 PolarHBondContact O-N 2.97Å; M141-K145 WeakPolarHBondContact O-CB 3.27Å; M141-K145 PolarHBondContact O-N 3.3Å |
| 142 | A | 98.6 | Very high | 98.1 | Very high | 56 Ų | 56 | 124 Ų | 124 | 46% | 0.463 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.8 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R138 N139 K145 C146 | R138-A142 WeakPolarHBondContact O-CB 3.33Å; R138-A142 PolarHBondContact O-N 3.46Å; N139-A142 PolarHBondContact O-N 2.86Å; A142-K145 PolarHBondContact O-N 3.46Å; A142-C146 WeakPolarHBondContact O-CB 3.28Å; A142-C146 PolarHBondContact O-N 2.99Å |
| 143 | A | 98.6 | Very high | 98.3 | Very high | 36 Ų | 36 | 124.2 Ų | 124.2 | 30% | 0.298 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.3 | -41.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N139 K140 M141 C146 R147 | N139-A143 WeakPolarHBondContact O-CB 3.5Å; N139-A143 PolarHBondContact O-N 3.28Å; K140-A143 PolarHBondContact O-N 3.39Å; M141-A143 PolarHBondContact O-N 2.78Å; A143-C146 PolarHBondContact O-N 2.9Å; A143-R147 WeakPolarHBondContact O-CG 3.49Å; A143-R147 PolarHBondContact O-N 2.87Å |
| 144 | A | 98.6 | Very high | 98.4 | Very high | 51 Ų | 51 | 120.1 Ų | 120.1 | 42% | 0.421 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.2 | -47.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K140 M141 C146 R147 N148 | K140-A144 WeakPolarHBondContact O-CB 3.48Å; K140-A144 PolarHBondContact O-N 3.44Å; M141-A144 PolarHBondContact O-N 2.97Å; A144-C146 PolarHBondContact O-N 3.18Å; A144-R147 PolarHBondContact O-N 2.77Å; A144-N148 WeakPolarHBondContact O-CB 3.37Å; A144-N148 PolarHBondContact O-N 3.24Å |
| 145 | K | 98.8 | Very high | 98.6 | Very high | 163 Ų | 163 | 122.4 Ų | 122.4 | 71% | 0.709 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.8 | -40.6 | 176.9 | -172.2 | 174 | -176.5 | 175.2 | 0 | 112.4 | M141 A142 N148 R149 | M141-K145 WeakPolarHBondContact O-CB 3.27Å; M141-K145 PolarHBondContact O-N 3.3Å; A142-K145 PolarHBondContact O-N 3.46Å; K145-N148 PolarHBondContact O-N 3.32Å; K145-R149 WeakPolarHBondContact O-CB 3.36Å; K145-R149 PolarHBondContact O-N 3.02Å |
| 146 | C | 98.8 | Very high | 98.6 | Very high | 87 Ų | 87 | 119.1 Ų | 119.1 | 59% | 0.588 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.1 | -46 | 175.9 | -178 | 0 | 0 | 0 | 0 | 111.6 | A142 A143 A144 N148 R150 | A142-C146 WeakPolarHBondContact O-CB 3.28Å; A142-C146 PolarHBondContact O-N 2.99Å; A143-C146 PolarHBondContact O-N 2.9Å; A144-C146 PolarHBondContact O-N 3.18Å; C146-N148 VanDerWaalsContact C-N 3.34Å; C146-N148 PolarHBondContact O-N 3.4Å; C146-R150 PolarHBondContact O-N 3.32Å; C146-R150 VanDerWaalsContact O-N 3.08Å |
| 147 | R | 98.8 | Very high | 98.6 | Very high | 188 Ų | 188 | 115.5 Ų | 115.5 | 71% | 0.709 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.8 | -41 | 174.7 | -70.6 | 172.7 | -179.9 | 169.3 | -0.8 | 111.9 | A143 A144 R150 R151 | A143-R147 WeakPolarHBondContact O-CG 3.49Å; A143-R147 PolarHBondContact O-N 2.87Å; A144-R147 PolarHBondContact O-N 2.77Å; R147-R150 PolarHBondContact O-N 3.32Å; R147-R151 PolarHBondContact O-N 2.96Å |
| 148 | N | 98.6 | Very high | 98.7 | Very high | 72 Ų | 72 | 114.8 Ų | 114.8 | 39% | 0.385 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.7 | -49.8 | 178.9 | -147.7 | 56.4 | 0 | 0 | 0 | 111.2 | A144 K145 C146 R150 R151 E152 | A144-N148 WeakPolarHBondContact O-CB 3.37Å; A144-N148 PolarHBondContact O-N 3.24Å; K145-N148 PolarHBondContact O-N 3.32Å; C146-N148 VanDerWaalsContact C-N 3.34Å; C146-N148 PolarHBondContact O-N 3.4Å; N148-R150 PolarHBondContact O-N 2.87Å; N148-R151 WeakPolarHBondContact O-CA 3.5Å; N148-R151 WeakPolarHBondContact O-CB 3.27Å; N148-R151 PolarHBondContact O-N 3.06Å; N148-E152 PolarHBondContact ND2-OE1 2.91Å; N148-E152 WeakPolarHBondContact O-CG 3.32Å; N148-E152 PolarHBondContact O-N 3.42Å |
| 149 | R | 98.8 | Very high | 98.7 | Very high | 193 Ų | 193 | 109.3 Ų | 109.3 | 73% | 0.728 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58 | -39 | 177.9 | -173.8 | -179.8 | -178.1 | -171.8 | 1.5 | 112.1 | K145 L153 | K145-R149 WeakPolarHBondContact O-CB 3.36Å; K145-R149 PolarHBondContact O-N 3.02Å; R149-L153 WeakPolarHBondContact O-CB 3.39Å; R149-L153 PolarHBondContact O-N 2.95Å |
| 150 | R | 98.8 | Very high | 98.7 | Very high | 194 Ų | 194 | 109.1 Ų | 109.1 | 73% | 0.732 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.2 | -41.5 | 176.3 | -173.8 | 174.7 | 176.3 | 178.4 | -1.1 | 111.6 | C146 R147 N148 T154 | C146-R150 PolarHBondContact O-N 3.32Å; C146-R150 VanDerWaalsContact O-N 3.08Å; R147-R150 PolarHBondContact O-N 3.32Å; N148-R150 PolarHBondContact O-N 2.87Å; R150-T154 PolarHBondContact O-N 3.46Å; R150-T154 VanDerWaalsContact O-N 3.12Å; R150-T154 PolarHBondContact O-OG1 2.79Å |
| 151 | R | 98.8 | Very high | 98.7 | Very high | 152 Ų | 152 | 104.7 Ų | 104.7 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.1 | -51.1 | 176.2 | -171 | -172.3 | -61.1 | 156 | -1.2 | 111.1 | R147 N148 L153 T154 D155 | R147-R151 PolarHBondContact O-N 2.96Å; N148-R151 WeakPolarHBondContact O-CA 3.5Å; N148-R151 WeakPolarHBondContact O-CB 3.27Å; N148-R151 PolarHBondContact O-N 3.06Å; R151-L153 VanDerWaalsContact C-N 3.25Å; R151-L153 PolarHBondContact O-N 3.02Å; R151-T154 CarbonylContact O-C 3.56Å; R151-T154 WeakPolarHBondContact O-CA 3.47Å; R151-T154 WeakPolarHBondContact O-CB 3.27Å; R151-T154 PolarHBondContact O-N 3.32Å; R151-D155 VanDerWaalsContact O-CG 3.23Å; R151-D155 PolarHBondContact O-N 2.89Å |
| 152 | E | 98.7 | Very high | 98.8 | Very high | 99 Ų | 99 | 102.7 Ų | 102.7 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -54.3 | -42.1 | 176.9 | -72.4 | 167.2 | -175.7 | 0 | 0 | 111.9 | N148 D155 T156 | N148-E152 PolarHBondContact ND2-OE1 2.91Å; N148-E152 WeakPolarHBondContact O-CG 3.32Å; N148-E152 PolarHBondContact O-N 3.42Å; E152-D155 PolarHBondContact O-N 2.94Å; E152-T156 WeakPolarHBondContact O-CB 3.28Å; E152-T156 PolarHBondContact O-N 2.9Å; E152-T156 PolarHBondContact O-OG1 2.96Å |
| 153 | L | 98.8 | Very high | 98.8 | Very high | 103 Ų | 103 | 104.4 Ų | 104.4 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 174.7 | 177.2 | 62.7 | 0 | 0 | 0 | 111.7 | R149 R151 D155 T156 L157 | R149-L153 WeakPolarHBondContact O-CB 3.39Å; R149-L153 PolarHBondContact O-N 2.95Å; R151-L153 VanDerWaalsContact C-N 3.25Å; R151-L153 PolarHBondContact O-N 3.02Å; L153-D155 VanDerWaalsContact C-N 3.35Å; L153-T156 PolarHBondContact O-N 2.82Å; L153-L157 HydrophobicContact CD1-CD1 4.08Å; L153-L157 HydrophobicContact CD1-CG 4.19Å; L153-L157 HydrophobicContact CG-CD1 4.11Å; L153-L157 WeakPolarHBondContact O-CB 3.43Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 2.99Å |
| 154 | T | 98.8 | Very high | 98.8 | Very high | 81 Ų | 81 | 107.7 Ų | 107.7 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 176.2 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | R150 R151 T156 L157 Q158 | R150-T154 PolarHBondContact O-N 3.46Å; R150-T154 VanDerWaalsContact O-N 3.12Å; R150-T154 PolarHBondContact O-OG1 2.79Å; R151-T154 CarbonylContact O-C 3.56Å; R151-T154 WeakPolarHBondContact O-CA 3.47Å; R151-T154 WeakPolarHBondContact O-CB 3.27Å; R151-T154 PolarHBondContact O-N 3.32Å; T154-T156 VanDerWaalsContact C-N 3.34Å; T154-T156 PolarHBondContact O-N 3.45Å; T154-L157 PolarHBondContact O-N 2.87Å; T154-Q158 WeakPolarHBondContact O-CB 3.28Å; T154-Q158 PolarHBondContact O-N 3.48Å |
| 155 | D | 98.8 | Very high | 98.8 | Very high | 91 Ų | 91 | 110.9 Ų | 110.9 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65 | -39.6 | 179.9 | -61.8 | -14.6 | 0 | 0 | 0 | 111 | R151 E152 L153 Q158 A159 | R151-D155 VanDerWaalsContact O-CG 3.23Å; R151-D155 PolarHBondContact O-N 2.89Å; E152-D155 PolarHBondContact O-N 2.94Å; L153-D155 VanDerWaalsContact C-N 3.35Å; D155-Q158 PolarHBondContact O-N 2.68Å; D155-A159 WeakPolarHBondContact O-CB 3.44Å; D155-A159 PolarHBondContact O-N 3.45Å |
| 156 | T | 98.8 | Very high | 98.8 | Very high | 88 Ų | 88 | 108.9 Ų | 108.9 | 54% | 0.54 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.7 | -46 | 176.5 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | E152 L153 T154 Q158 A159 E160 | E152-T156 WeakPolarHBondContact O-CB 3.28Å; E152-T156 PolarHBondContact O-N 2.9Å; E152-T156 PolarHBondContact O-OG1 2.96Å; L153-T156 PolarHBondContact O-N 2.82Å; T154-T156 VanDerWaalsContact C-N 3.34Å; T154-T156 PolarHBondContact O-N 3.45Å; T156-Q158 VanDerWaalsContact C-N 3.29Å; T156-Q158 PolarHBondContact O-N 2.91Å; T156-A159 PolarHBondContact O-N 3.22Å; T156-E160 WeakPolarHBondContact O-CB 3.42Å; T156-E160 PolarHBondContact O-N 3.4Å |
| 157 | L | 98.9 | Very high | 98.8 | Very high | 90 Ų | 90 | 108.1 Ų | 108.1 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 177.9 | -70.1 | 173.5 | 0 | 0 | 0 | 111.9 | L153 T154 T161 | L153-L157 HydrophobicContact CD1-CD1 4.08Å; L153-L157 HydrophobicContact CD1-CG 4.19Å; L153-L157 HydrophobicContact CG-CD1 4.11Å; L153-L157 WeakPolarHBondContact O-CB 3.43Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 2.99Å; T154-L157 PolarHBondContact O-N 2.87Å; L157-T161 PolarHBondContact O-N 3.08Å; L157-T161 PolarHBondContact O-OG1 2.85Å |
| 158 | Q | 98.9 | Very high | 98.8 | Very high | 103 Ų | 103 | 105.3 Ų | 105.3 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -48.5 | 174.3 | -172.4 | 62.1 | 57.6 | 0 | 0 | 110.7 | T154 D155 T156 E160 T161 D162 | T154-Q158 WeakPolarHBondContact O-CB 3.28Å; T154-Q158 PolarHBondContact O-N 3.48Å; D155-Q158 PolarHBondContact O-N 2.68Å; T156-Q158 VanDerWaalsContact C-N 3.29Å; T156-Q158 PolarHBondContact O-N 2.91Å; Q158-E160 VanDerWaalsContact C-N 3.3Å; Q158-E160 PolarHBondContact O-N 2.81Å; Q158-T161 WeakPolarHBondContact O-CB 3.39Å; Q158-T161 PolarHBondContact O-N 3.01Å; Q158-T161 VanDerWaalsContact O-N 3.08Å; Q158-D162 PolarHBondContact NE2-OD1 2.86Å; Q158-D162 PolarHBondContact O-N 2.73Å |
| 159 | A | 98.8 | Very high | 98.8 | Very high | 57 Ų | 57 | 105.2 Ų | 105.2 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.5 | -38.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D155 T156 D162 Q163 | D155-A159 WeakPolarHBondContact O-CB 3.44Å; D155-A159 PolarHBondContact O-N 3.45Å; T156-A159 PolarHBondContact O-N 3.22Å; A159-D162 PolarHBondContact O-N 3.04Å; A159-Q163 WeakPolarHBondContact O-CB 3.49Å; A159-Q163 PolarHBondContact O-N 3.45Å |
| 160 | E | 98.8 | Very high | 98.8 | Very high | 109 Ų | 109 | 98.5 Ų | 98.5 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 174.1 | -175.2 | 178.5 | 177.4 | 0 | 0 | 111.6 | T156 Q158 Q163 L164 | T156-E160 WeakPolarHBondContact O-CB 3.42Å; T156-E160 PolarHBondContact O-N 3.4Å; Q158-E160 VanDerWaalsContact C-N 3.3Å; Q158-E160 PolarHBondContact O-N 2.81Å; E160-Q163 PolarHBondContact O-N 3.43Å; E160-L164 HydrophobicContact CG-CD1 4.31Å; E160-L164 WeakPolarHBondContact O-CB 3.17Å; E160-L164 VanDerWaalsContact O-CG 3.28Å; E160-L164 WeakPolarHBondContact O-CG 3.4Å; E160-L164 PolarHBondContact O-N 2.93Å |
| 161 | T | 98.9 | Very high | 98.8 | Very high | 63 Ų | 63 | 94 Ų | 94 | 39% | 0.387 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -48.4 | 175.4 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | L157 Q158 Q163 L164 E165 | L157-T161 PolarHBondContact O-N 3.08Å; L157-T161 PolarHBondContact O-OG1 2.85Å; Q158-T161 WeakPolarHBondContact O-CB 3.39Å; Q158-T161 PolarHBondContact O-N 3.01Å; Q158-T161 VanDerWaalsContact O-N 3.08Å; T161-Q163 VanDerWaalsContact C-N 3.31Å; T161-Q163 PolarHBondContact O-N 3.48Å; T161-L164 PolarHBondContact O-N 2.88Å; T161-E165 WeakPolarHBondContact O-CG 3.43Å; T161-E165 PolarHBondContact O-N 3.36Å |
| 162 | D | 98.8 | Very high | 98.8 | Very high | 80 Ų | 80 | 92 Ų | 92 | 43% | 0.428 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 179.8 | -59.7 | -13.8 | 0 | 0 | 0 | 110.9 | Q158 A159 E165 E166 | Q158-D162 PolarHBondContact NE2-OD1 2.86Å; Q158-D162 PolarHBondContact O-N 2.73Å; A159-D162 PolarHBondContact O-N 3.04Å; D162-E165 PolarHBondContact O-N 3.29Å; D162-E166 PolarHBondContact O-N 2.81Å |
| 163 | Q | 98.8 | Very high | 98.8 | Very high | 92 Ų | 92 | 92 Ų | 92 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 175.8 | -173.8 | 63.4 | 58.9 | 0 | 0 | 112 | A159 E160 T161 E165 E166 D167 | A159-Q163 WeakPolarHBondContact O-CB 3.49Å; A159-Q163 PolarHBondContact O-N 3.45Å; E160-Q163 PolarHBondContact O-N 3.43Å; T161-Q163 VanDerWaalsContact C-N 3.31Å; T161-Q163 PolarHBondContact O-N 3.48Å; Q163-E165 VanDerWaalsContact C-N 3.27Å; Q163-E165 PolarHBondContact O-N 3.43Å; Q163-E166 PolarHBondContact O-N 3.15Å; Q163-D167 PolarHBondContact NE2-OD1 3.47Å; Q163-D167 WeakPolarHBondContact O-CB 3.34Å; Q163-D167 VanDerWaalsContact O-CG 3.25Å; Q163-D167 PolarHBondContact O-N 2.92Å |
| 164 | L | 98.9 | Very high | 98.8 | Very high | 106 Ų | 106 | 92.3 Ų | 92.3 | 56% | 0.555 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65 | -33.3 | 178.3 | -72.2 | 172.7 | 0 | 0 | 0 | 112 | E160 T161 K168 | E160-L164 HydrophobicContact CG-CD1 4.31Å; E160-L164 WeakPolarHBondContact O-CB 3.17Å; E160-L164 VanDerWaalsContact O-CG 3.28Å; E160-L164 WeakPolarHBondContact O-CG 3.4Å; E160-L164 PolarHBondContact O-N 2.93Å; T161-L164 PolarHBondContact O-N 2.88Å; L164-K168 WeakPolarHBondContact O-CB 3.37Å; L164-K168 PolarHBondContact O-N 2.99Å |
| 165 | E | 98.8 | Very high | 98.8 | Very high | 117 Ų | 117 | 93.2 Ų | 93.2 | 55% | 0.547 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.5 | -43.7 | 173.1 | -72.9 | -176.4 | 180 | 0 | 0 | 111.8 | T161 D162 Q163 K168 T169 | T161-E165 WeakPolarHBondContact O-CG 3.43Å; T161-E165 PolarHBondContact O-N 3.36Å; D162-E165 PolarHBondContact O-N 3.29Å; Q163-E165 VanDerWaalsContact C-N 3.27Å; Q163-E165 PolarHBondContact O-N 3.43Å; E165-K168 PolarHBondContact O-N 2.93Å; E165-T169 WeakPolarHBondContact O-CG2 3.49Å; E165-T169 PolarHBondContact O-N 3.31Å; E165-T169 PolarHBondContact O-OG1 2.81Å |
| 166 | E | 98.8 | Very high | 98.8 | Very high | 121 Ų | 121 | 90.9 Ų | 90.9 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.9 | -52.8 | 173.7 | -175.1 | 173.3 | -159.4 | 0 | 0 | 110.9 | D162 Q163 K168 T169 A170 | D162-E166 PolarHBondContact O-N 2.81Å; Q163-E166 PolarHBondContact O-N 3.15Å; E166-K168 VanDerWaalsContact C-N 3.3Å; E166-K168 PolarHBondContact O-N 3.01Å; E166-T169 PolarHBondContact O-N 3.18Å; E166-T169 PolarHBondContact O-OG1 2.88Å; E166-A170 PolarHBondContact O-N 3.36Å |
| 167 | D | 98.8 | Very high | 98.8 | Very high | 72 Ų | 72 | 91 Ų | 91 | 39% | 0.385 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.6 | -42.1 | 179.5 | -69.4 | -7 | 0 | 0 | 0 | 111.6 | Q163 T169 A170 L171 | Q163-D167 PolarHBondContact NE2-OD1 3.47Å; Q163-D167 WeakPolarHBondContact O-CB 3.34Å; Q163-D167 VanDerWaalsContact O-CG 3.25Å; Q163-D167 PolarHBondContact O-N 2.92Å; D167-T169 PolarHBondContact O-N 3.49Å; D167-A170 PolarHBondContact O-N 3.03Å; D167-L171 WeakPolarHBondContact O-CB 3.42Å; D167-L171 WeakPolarHBondContact O-CG 3.45Å; D167-L171 PolarHBondContact O-N 3.39Å |
| 168 | K | 98.8 | Very high | 98.8 | Very high | 128 Ų | 128 | 91.8 Ų | 91.8 | 56% | 0.557 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.4 | -48 | 175 | 175.3 | -175.8 | 175 | -175.9 | 0 | 111.1 | L164 E165 E166 L171 Q172 | L164-K168 WeakPolarHBondContact O-CB 3.37Å; L164-K168 PolarHBondContact O-N 2.99Å; E165-K168 PolarHBondContact O-N 2.93Å; E166-K168 VanDerWaalsContact C-N 3.3Å; E166-K168 PolarHBondContact O-N 3.01Å; K168-L171 PolarHBondContact O-N 3.26Å; K168-Q172 WeakPolarHBondContact O-CB 3.39Å; K168-Q172 VanDerWaalsContact O-CG 3.27Å; K168-Q172 WeakPolarHBondContact O-CG 3.28Å; K168-Q172 PolarHBondContact O-N 3.12Å |
| 169 | T | 98.8 | Very high | 98.8 | Very high | 71 Ų | 71 | 91.9 Ų | 91.9 | 44% | 0.436 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 179.6 | 62.2 | 0 | 0 | 0 | 0 | 112 | E165 E166 D167 Q172 I173 | E165-T169 WeakPolarHBondContact O-CG2 3.49Å; E165-T169 PolarHBondContact O-N 3.31Å; E165-T169 PolarHBondContact O-OG1 2.81Å; E166-T169 PolarHBondContact O-N 3.18Å; E166-T169 PolarHBondContact O-OG1 2.88Å; D167-T169 PolarHBondContact O-N 3.49Å; T169-Q172 PolarHBondContact O-N 3.31Å; T169-I173 VanDerWaalsContact O-CG1 3.28Å; T169-I173 WeakPolarHBondContact O-CG1 3.34Å; T169-I173 PolarHBondContact O-N 3.33Å |
| 170 | A | 98.8 | Very high | 98.8 | Very high | 52 Ų | 52 | 95.6 Ų | 95.6 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.3 | -47.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E166 D167 Q172 I173 E174 | E166-A170 PolarHBondContact O-N 3.36Å; D167-A170 PolarHBondContact O-N 3.03Å; A170-Q172 PolarHBondContact O-N 3.44Å; A170-I173 WeakPolarHBondContact O-CB 3.4Å; A170-I173 PolarHBondContact O-N 2.97Å; A170-E174 PolarHBondContact O-N 3.08Å |
| 171 | L | 98.9 | Very high | 98.8 | Very high | 100 Ų | 100 | 94.2 Ų | 94.2 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 176.3 | -70.5 | 173.2 | 0 | 0 | 0 | 112.2 | D167 K168 I173 E174 I175 | D167-L171 WeakPolarHBondContact O-CB 3.42Å; D167-L171 WeakPolarHBondContact O-CG 3.45Å; D167-L171 PolarHBondContact O-N 3.39Å; K168-L171 PolarHBondContact O-N 3.26Å; L171-I173 VanDerWaalsContact C-N 3.32Å; L171-I173 PolarHBondContact O-N 3.08Å; L171-E174 PolarHBondContact O-N 3.23Å; L171-I175 VanDerWaalsContact O-CG1 3.27Å; L171-I175 WeakPolarHBondContact O-CG1 3.47Å; L171-I175 PolarHBondContact O-N 3.02Å |
| 172 | Q | 98.8 | Very high | 98.8 | Very high | 108 Ų | 108 | 96.4 Ų | 96.4 | 51% | 0.505 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 175.1 | -75.8 | 177.5 | -8.3 | 0 | 0 | 112.1 | K168 T169 A170 A176 | K168-Q172 WeakPolarHBondContact O-CB 3.39Å; K168-Q172 VanDerWaalsContact O-CG 3.27Å; K168-Q172 WeakPolarHBondContact O-CG 3.28Å; K168-Q172 PolarHBondContact O-N 3.12Å; T169-Q172 PolarHBondContact O-N 3.31Å; A170-Q172 PolarHBondContact O-N 3.44Å; Q172-A176 WeakPolarHBondContact O-CB 3.5Å; Q172-A176 PolarHBondContact O-N 3.26Å |
| 173 | I | 98.8 | Very high | 98.8 | Very high | 101 Ų | 101 | 98.1 Ų | 98.1 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 174.8 | -68.8 | 163.9 | 0 | 0 | 0 | 110.4 | T169 A170 L171 A176 N177 | T169-I173 VanDerWaalsContact O-CG1 3.28Å; T169-I173 WeakPolarHBondContact O-CG1 3.34Å; T169-I173 PolarHBondContact O-N 3.33Å; A170-I173 WeakPolarHBondContact O-CB 3.4Å; A170-I173 PolarHBondContact O-N 2.97Å; L171-I173 VanDerWaalsContact C-N 3.32Å; L171-I173 PolarHBondContact O-N 3.08Å; I173-A176 PolarHBondContact O-N 3.01Å; I173-N177 VanDerWaalsContact O-CG 3.26Å; I173-N177 PolarHBondContact O-N 3.18Å; I173-N177 PolarHBondContact O-ND2 3.32Å |
| 174 | E | 98.8 | Very high | 98.8 | Very high | 109 Ų | 109 | 99.5 Ų | 99.5 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 177.6 | -174.3 | 174.6 | -174.2 | 0 | 0 | 111.8 | A170 L171 A176 N177 L178 | A170-E174 PolarHBondContact O-N 3.08Å; L171-E174 PolarHBondContact O-N 3.23Å; E174-A176 VanDerWaalsContact C-N 3.32Å; E174-A176 PolarHBondContact O-N 2.92Å; E174-N177 PolarHBondContact O-N 2.67Å; E174-N177 VanDerWaalsContact O-N 3.14Å; E174-L178 HydrophobicContact CG-CD1 4.13Å; E174-L178 HydrophobicContact CG-CG 4.44Å; E174-L178 WeakPolarHBondContact O-CG 3.47Å; E174-L178 PolarHBondContact O-N 2.84Å |
| 175 | I | 98.8 | Very high | 98.8 | Very high | 100 Ų | 100 | 98.1 Ų | 98.1 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.1 | -47 | 174.9 | -69.3 | 165.1 | 0 | 0 | 0 | 110.5 | L171 N177 L178 L179 | L171-I175 VanDerWaalsContact O-CG1 3.27Å; L171-I175 WeakPolarHBondContact O-CG1 3.47Å; L171-I175 PolarHBondContact O-N 3.02Å; I175-N177 VanDerWaalsContact C-N 3.29Å; I175-N177 PolarHBondContact O-N 3.34Å; I175-L178 PolarHBondContact O-N 3.5Å; I175-L179 HydrophobicContact CG2-CD1 3.97Å; I175-L179 HydrophobicContact CG2-CG 4.35Å; I175-L179 WeakPolarHBondContact O-CB 3.38Å; I175-L179 WeakPolarHBondContact O-CG 3.33Å; I175-L179 PolarHBondContact O-N 3.01Å |
| 176 | A | 98.8 | Very high | 98.7 | Very high | 42 Ų | 42 | 97.1 Ų | 97.1 | 35% | 0.347 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q172 I173 E174 K180 | Q172-A176 WeakPolarHBondContact O-CB 3.5Å; Q172-A176 PolarHBondContact O-N 3.26Å; I173-A176 PolarHBondContact O-N 3.01Å; E174-A176 VanDerWaalsContact C-N 3.32Å; E174-A176 PolarHBondContact O-N 2.92Å; A176-K180 VanDerWaalsContact O-CG 3.31Å; A176-K180 WeakPolarHBondContact O-CG 3.4Å; A176-K180 PolarHBondContact O-N 3.04Å; A176-K180 VanDerWaalsContact O-N 3.1Å |
| 177 | N | 98.8 | Very high | 98.7 | Very high | 90 Ų | 90 | 96 Ų | 96 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 176.5 | -69.9 | -21.8 | 0 | 0 | 0 | 111.9 | I173 E174 I175 K180 E181 | I173-N177 VanDerWaalsContact O-CG 3.26Å; I173-N177 PolarHBondContact O-N 3.18Å; I173-N177 PolarHBondContact O-ND2 3.32Å; E174-N177 PolarHBondContact O-N 2.67Å; E174-N177 VanDerWaalsContact O-N 3.14Å; I175-N177 VanDerWaalsContact C-N 3.29Å; I175-N177 PolarHBondContact O-N 3.34Å; N177-K180 PolarHBondContact O-N 2.94Å; N177-E181 WeakPolarHBondContact O-CB 3.4Å; N177-E181 PolarHBondContact O-N 2.87Å |
| 178 | L | 98.9 | Very high | 98.6 | Very high | 106 Ų | 106 | 96.2 Ų | 96.2 | 56% | 0.555 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.4 | -39.2 | 176.8 | -71.1 | 174 | 0 | 0 | 0 | 112 | E174 I175 E181 K182 | E174-L178 HydrophobicContact CG-CD1 4.13Å; E174-L178 HydrophobicContact CG-CG 4.44Å; E174-L178 WeakPolarHBondContact O-CG 3.47Å; E174-L178 PolarHBondContact O-N 2.84Å; I175-L178 PolarHBondContact O-N 3.5Å; L178-E181 PolarHBondContact O-N 3.42Å; L178-K182 WeakPolarHBondContact O-CB 3.34Å; L178-K182 PolarHBondContact O-N 3.27Å |
| 179 | L | 98.8 | Very high | 98.5 | Very high | 106 Ų | 106 | 95 Ų | 95 | 56% | 0.555 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 174.9 | -72.6 | 175.1 | 0 | 0 | 0 | 111.9 | I175 E181 K182 E183 | I175-L179 HydrophobicContact CG2-CD1 3.97Å; I175-L179 HydrophobicContact CG2-CG 4.35Å; I175-L179 WeakPolarHBondContact O-CB 3.38Å; I175-L179 WeakPolarHBondContact O-CG 3.33Å; I175-L179 PolarHBondContact O-N 3.01Å; L179-E181 VanDerWaalsContact C-N 3.33Å; L179-E181 PolarHBondContact O-N 2.85Å; L179-K182 WeakPolarHBondContact O-CB 3.46Å; L179-K182 PolarHBondContact O-N 3.14Å; L179-E183 WeakPolarHBondContact O-CB 3.36Å; L179-E183 PolarHBondContact O-N 3.44Å |
| 180 | K | 98.8 | Very high | 98.3 | Very high | 135 Ų | 135 | 94.6 Ų | 94.6 | 59% | 0.587 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.9 | -42 | 173.8 | -74.6 | 172.3 | -178.1 | 173.9 | 0 | 111.9 | A176 N177 E183 R184 | A176-K180 VanDerWaalsContact O-CG 3.31Å; A176-K180 WeakPolarHBondContact O-CG 3.4Å; A176-K180 PolarHBondContact O-N 3.04Å; A176-K180 VanDerWaalsContact O-N 3.1Å; N177-K180 PolarHBondContact O-N 2.94Å; K180-E183 PolarHBondContact O-N 3.42Å; K180-R184 WeakPolarHBondContact O-CB 3.33Å; K180-R184 PolarHBondContact O-N 2.88Å |
| 181 | E | 98.7 | Very high | 98.1 | Very high | 80 Ų | 80 | 96.9 Ų | 96.9 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.1 | -40.2 | 178.5 | -177.5 | 59.2 | -167.9 | 0 | 0 | 111.6 | N177 L178 L179 R184 L185 | N177-E181 WeakPolarHBondContact O-CB 3.4Å; N177-E181 PolarHBondContact O-N 2.87Å; L178-E181 PolarHBondContact O-N 3.42Å; L179-E181 VanDerWaalsContact C-N 3.33Å; L179-E181 PolarHBondContact O-N 2.85Å; E181-R184 WeakPolarHBondContact O-CB 3.45Å; E181-R184 PolarHBondContact O-N 3.06Å; E181-R184 IonicContact OE1-CZ 3.36Å; E181-R184 IonicContact OE1-NE 3.27Å; E181-R184 PolarHBondContact OE1-NE 3.02Å; E181-R184 IonicContact OE1-NH2 3.74Å; E181-R184 PolarHBondContact OE1-NH2 3.39Å; E181-R184 IonicContact OE2-CZ 3.7Å; E181-R184 IonicContact OE2-NE 2.81Å; E181-R184 PolarHBondContact OE2-NE 2.78Å; E181-R184 IonicContact OE2-NH2 3.12Å; E181-L185 HydrophobicContact CG-CD1 4.25Å; E181-L185 WeakPolarHBondContact O-CB 3.42Å; E181-L185 VanDerWaalsContact O-CG 3.3Å; E181-L185 WeakPolarHBondContact O-CG 3.36Å; E181-L185 PolarHBondContact O-N 3.49Å |
| 182 | K | 98.6 | Very high | 97.9 | Very high | 108 Ų | 108 | 97 Ų | 97 | 47% | 0.47 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.9 | -51.7 | 171.6 | 176.2 | 179.6 | 177 | -75 | 0 | 111 | L178 L179 R184 L185 E186 | L178-K182 WeakPolarHBondContact O-CB 3.34Å; L178-K182 PolarHBondContact O-N 3.27Å; L179-K182 WeakPolarHBondContact O-CB 3.46Å; L179-K182 PolarHBondContact O-N 3.14Å; K182-R184 VanDerWaalsContact C-N 3.31Å; K182-R184 PolarHBondContact O-N 3.14Å; K182-L185 PolarHBondContact O-N 3.46Å; K182-L185 VanDerWaalsContact O-N 3.17Å; K182-E186 VanDerWaalsContact CE-OE1 3.27Å; K182-E186 WeakPolarHBondContact CE-OE1 3.26Å; K182-E186 HydrophobicContact CG-CG 4.39Å; K182-E186 IonicContact NZ-OE1 2.65Å; K182-E186 PolarHBondContact NZ-OE1 3.06Å; K182-E186 IonicContact NZ-OE2 2.61Å; K182-E186 PolarHBondContact NZ-OE2 3.38Å; K182-E186 VanDerWaalsContact NZ-OE2 3.12Å; K182-E186 WeakPolarHBondContact O-CB 3.35Å; K182-E186 WeakPolarHBondContact O-CG 3.38Å; K182-E186 PolarHBondContact O-N 3.31Å |
| 183 | E | 98.6 | Very high | 97.5 | Very high | 117 Ų | 117 | 96.5 Ų | 96.5 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 178.2 | -178.3 | -179.1 | -168 | 0 | 0 | 111.2 | L179 K180 L185 E186 I187 | L179-E183 WeakPolarHBondContact O-CB 3.36Å; L179-E183 PolarHBondContact O-N 3.44Å; K180-E183 PolarHBondContact O-N 3.42Å; E183-L185 VanDerWaalsContact C-N 3.33Å; E183-L185 PolarHBondContact O-N 2.83Å; E183-E186 PolarHBondContact O-N 2.88Å; E183-I187 HydrophobicContact CG-CD1 4.11Å; E183-I187 VanDerWaalsContact O-CG1 3.27Å; E183-I187 WeakPolarHBondContact O-CG1 3.5Å; E183-I187 PolarHBondContact O-N 2.98Å |
| 184 | R | 98.5 | Very high | 96.9 | Very high | 120 Ų | 120 | 96.9 Ų | 96.9 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -45.1 | 176 | -169 | -166.1 | 71.1 | 72.7 | -2.1 | 111.7 | K180 E181 K182 I187 V188 | K180-R184 WeakPolarHBondContact O-CB 3.33Å; K180-R184 PolarHBondContact O-N 2.88Å; E181-R184 WeakPolarHBondContact O-CB 3.45Å; E181-R184 PolarHBondContact O-N 3.06Å; E181-R184 IonicContact OE1-CZ 3.36Å; E181-R184 IonicContact OE1-NE 3.27Å; E181-R184 PolarHBondContact OE1-NE 3.02Å; E181-R184 IonicContact OE1-NH2 3.74Å; E181-R184 PolarHBondContact OE1-NH2 3.39Å; E181-R184 IonicContact OE2-CZ 3.7Å; E181-R184 IonicContact OE2-NE 2.81Å; E181-R184 PolarHBondContact OE2-NE 2.78Å; E181-R184 IonicContact OE2-NH2 3.12Å; K182-R184 VanDerWaalsContact C-N 3.31Å; K182-R184 PolarHBondContact O-N 3.14Å; R184-I187 PolarHBondContact O-N 3.36Å; R184-V188 WeakPolarHBondContact O-CG2 3.36Å; R184-V188 PolarHBondContact O-N 2.9Å; R184-V188 VanDerWaalsContact O-N 3.13Å |
| 185 | L | 98.4 | Very high | 96.4 | Very high | 78 Ų | 78 | 97.3 Ų | 97.3 | 41% | 0.408 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 178.6 | -70.3 | 172.2 | 0 | 0 | 0 | 112 | E181 K182 E183 I187 V188 L189 | E181-L185 HydrophobicContact CG-CD1 4.25Å; E181-L185 WeakPolarHBondContact O-CB 3.42Å; E181-L185 VanDerWaalsContact O-CG 3.3Å; E181-L185 WeakPolarHBondContact O-CG 3.36Å; E181-L185 PolarHBondContact O-N 3.49Å; K182-L185 PolarHBondContact O-N 3.46Å; K182-L185 VanDerWaalsContact O-N 3.17Å; E183-L185 VanDerWaalsContact C-N 3.33Å; E183-L185 PolarHBondContact O-N 2.83Å; L185-I187 VanDerWaalsContact C-N 3.31Å; L185-I187 PolarHBondContact O-N 2.96Å; L185-V188 PolarHBondContact O-N 2.78Å; L185-L189 WeakPolarHBondContact O-CG 3.46Å; L185-L189 PolarHBondContact O-N 3.44Å |
| 186 | E | 97.8 | Very high | 95.6 | Very high | 96 Ų | 96 | 93.9 Ų | 93.9 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 174.5 | -75.8 | 175.8 | 153.4 | 0 | 0 | 111.2 | K182 E183 L189 A190 | K182-E186 VanDerWaalsContact CE-OE1 3.27Å; K182-E186 WeakPolarHBondContact CE-OE1 3.26Å; K182-E186 HydrophobicContact CG-CG 4.39Å; K182-E186 IonicContact NZ-OE1 2.65Å; K182-E186 PolarHBondContact NZ-OE1 3.06Å; K182-E186 IonicContact NZ-OE2 2.61Å; K182-E186 PolarHBondContact NZ-OE2 3.38Å; K182-E186 VanDerWaalsContact NZ-OE2 3.12Å; K182-E186 WeakPolarHBondContact O-CB 3.35Å; K182-E186 WeakPolarHBondContact O-CG 3.38Å; K182-E186 PolarHBondContact O-N 3.31Å; E183-E186 PolarHBondContact O-N 2.88Å; E186-L189 PolarHBondContact O-N 3.47Å; E186-A190 VanDerWaalsContact O-CB 3.26Å; E186-A190 WeakPolarHBondContact O-CB 3.37Å; E186-A190 PolarHBondContact O-N 2.87Å |
| 187 | I | 97.9 | Very high | 94.5 | Very high | 98 Ų | 98 | 100.1 Ų | 100.1 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 174.4 | -67.3 | 163.5 | 0 | 0 | 0 | 111.2 | E183 R184 L185 A190 T191 | E183-I187 HydrophobicContact CG-CD1 4.11Å; E183-I187 VanDerWaalsContact O-CG1 3.27Å; E183-I187 WeakPolarHBondContact O-CG1 3.5Å; E183-I187 PolarHBondContact O-N 2.98Å; R184-I187 PolarHBondContact O-N 3.36Å; L185-I187 VanDerWaalsContact C-N 3.31Å; L185-I187 PolarHBondContact O-N 2.96Å; I187-A190 PolarHBondContact O-N 3.07Å; I187-T191 WeakPolarHBondContact O-CB 3.49Å; I187-T191 PolarHBondContact O-N 3.31Å; I187-T191 PolarHBondContact O-OG1 3.5Å |
| 188 | V | 97.3 | Very high | 93.2 | Very high | 75 Ų | 75 | 101.4 Ų | 101.4 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 178.1 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | R184 L185 T191 H192 | R184-V188 WeakPolarHBondContact O-CG2 3.36Å; R184-V188 PolarHBondContact O-N 2.9Å; R184-V188 VanDerWaalsContact O-N 3.13Å; L185-V188 PolarHBondContact O-N 2.78Å; V188-T191 PolarHBondContact O-N 2.95Å; V188-H192 WeakPolarHBondContact O-CB 3.44Å; V188-H192 PolarHBondContact O-N 3Å |
| 189 | L | 96.1 | Very high | 91.4 | Very high | 103 Ų | 103 | 98.4 Ų | 98.4 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 177.5 | -72.1 | 174.5 | 0 | 0 | 0 | 111.7 | L185 E186 T191 H192 N193 | L185-L189 WeakPolarHBondContact O-CG 3.46Å; L185-L189 PolarHBondContact O-N 3.44Å; E186-L189 PolarHBondContact O-N 3.47Å; L189-T191 PolarHBondContact O-N 3.05Å; L189-H192 PolarHBondContact O-N 3.16Å; L189-H192 VanDerWaalsContact O-N 3.08Å; L189-N193 PolarHBondContact O-N 3.47Å; L189-N193 PolarHBondContact O-OD1 2.91Å |
| 190 | A | 94.8 | Very high | 89.5 | Confident | 62 Ų | 62 | 100.7 Ų | 100.7 | 51% | 0.512 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.6 | -36.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E186 I187 P194 | E186-A190 VanDerWaalsContact O-CB 3.26Å; E186-A190 WeakPolarHBondContact O-CB 3.37Å; E186-A190 PolarHBondContact O-N 2.87Å; I187-A190 PolarHBondContact O-N 3.07Å; A190-P194 VanDerWaalsContact O-CD 3.27Å; A190-P194 WeakPolarHBondContact O-CD 3.49Å |
| 191 | T | 95.1 | Very high | 87.6 | Confident | 100 Ų | 100 | 100 Ų | 100 | 61% | 0.613 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.8 | -35.5 | 176 | -54.2 | 0 | 0 | 0 | 0 | 112.2 | I187 V188 L189 P194 | I187-T191 WeakPolarHBondContact O-CB 3.49Å; I187-T191 PolarHBondContact O-N 3.31Å; I187-T191 PolarHBondContact O-OG1 3.5Å; V188-T191 PolarHBondContact O-N 2.95Å; L189-T191 PolarHBondContact O-N 3.05Å; T191-P194 WeakPolarHBondContact O-CD 3.4Å |
| 192 | H | 94.3 | Very high | 85.8 | Confident | 102 Ų | 102 | 100.9 Ų | 100.9 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -80.4 | -36 | -178.8 | 178.8 | -97.2 | 0 | 0 | 0 | 113.6 | V188 L189 P194 V195 C196 | V188-H192 WeakPolarHBondContact O-CB 3.44Å; V188-H192 PolarHBondContact O-N 3Å; L189-H192 PolarHBondContact O-N 3.16Å; L189-H192 VanDerWaalsContact O-N 3.08Å; H192-P194 VanDerWaalsContact C-CD 3.42Å; H192-V195 PolarHBondContact O-N 3.14Å; H192-C196 VanDerWaalsContact CE1-CB 3.47Å; H192-C196 WeakPolarHBondContact CE1-CB 3.47Å; H192-C196 VanDerWaalsContact CE1-SG 3.56Å; H192-C196 PolarHBondContact O-N 2.9Å |
| 193 | N | 89.9 | Confident | 83.9 | Confident | 99 Ų | 99 | 101.1 Ų | 101.1 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -43.7 | -47.5 | -178.6 | -79.8 | -14.8 | 0 | 0 | 0 | 115.2 | L189 V195 C196 | L189-N193 PolarHBondContact O-N 3.47Å; L189-N193 PolarHBondContact O-OD1 2.91Å; N193-V195 PolarHBondContact O-N 2.97Å; N193-V195 VanDerWaalsContact O-N 3.15Å; N193-C196 PolarHBondContact O-N 2.85Å |
| 194 | P | 87.8 | Confident | 82 | Confident | 109 Ų | 109 | 99.7 Ų | 99.7 | 71% | 0.708 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -68.6 | -11.9 | -179.2 | 27.2 | -36.4 | 0 | 0 | 0 | 114.8 | A190 T191 H192 | A190-P194 VanDerWaalsContact O-CD 3.27Å; A190-P194 WeakPolarHBondContact O-CD 3.49Å; T191-P194 WeakPolarHBondContact O-CD 3.4Å; H192-P194 VanDerWaalsContact C-CD 3.42Å |
| 195 | V | 87.3 | Confident | 80.2 | Confident | 117 Ų | 117 | 100 Ų | 100 | 71% | 0.709 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -108 | -8.8 | -179.5 | -168.2 | 0 | 0 | 0 | 0 | 111.4 | H192 N193 Q197 | H192-V195 PolarHBondContact O-N 3.14Å; N193-V195 PolarHBondContact O-N 2.97Å; N193-V195 VanDerWaalsContact O-N 3.15Å; V195-Q197 PolarHBondContact O-N 3.12Å |
| 196 | C | 82.6 | Confident | 78.2 | Confident | 29 Ų | 29 | 105.1 Ų | 105.1 | 20% | 0.196 | 57% | 0.572 | C | S | . | * | | | trans | -83 | 103.9 | -175.9 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | H192 N193 I198 | H192-C196 VanDerWaalsContact CE1-CB 3.47Å; H192-C196 WeakPolarHBondContact CE1-CB 3.47Å; H192-C196 VanDerWaalsContact CE1-SG 3.56Å; H192-C196 PolarHBondContact O-N 2.9Å; N193-C196 PolarHBondContact O-N 2.85Å; C196-I198 PolarHBondContact O-N 3.1Å |
| 197 | Q | 75.1 | Confident | 76.4 | Confident | 172 Ų | 172 | 107 Ų | 107 | 80% | 0.804 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -5.6 | 175.5 | -75.4 | 172 | -9.6 | 0 | 0 | 114.4 | V195 | V195-Q197 PolarHBondContact O-N 3.12Š|
| 198 | I | 72.3 | Confident | 73.9 | Confident | 118 Ų | 118 | 110.4 Ų | 110.4 | 61% | 0.605 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -20.4 | -175.1 | -52 | 168.3 | 0 | 0 | 0 | 111.5 | C196 L202 | C196-I198 PolarHBondContact O-N 3.1Å; I198-L202 HydrophobicContact CG2-CD1 4.26Å |
| 199 | A | 60.1 | Low | 71.7 | Confident | 42 Ų | 42 | 111.2 Ų | 111.2 | 35% | 0.347 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.8 | -38 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D201 L202 D203 | A199-D201 VanDerWaalsContact C-N 3.31Å; A199-D201 PolarHBondContact O-N 3.34Å; A199-L202 PolarHBondContact O-N 2.88Å; A199-D203 PolarHBondContact O-N 3.04Å |
| 200 | E | 59.9 | Low | 69 | Low | 154 Ų | 154 | 112.5 Ų | 112.5 | 72% | 0.72 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.5 | -30.4 | -179 | -65 | 179.1 | 167.3 | 0 | 0 | 112.7 | S204 | E200-S204 PolarHBondContact O-OG 2.96Å |
| 201 | D | 58.8 | Low | 66.5 | Low | 120 Ų | 120 | 112.5 Ų | 112.5 | 64% | 0.642 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -78.3 | -25.6 | 178.9 | -95.2 | -7.8 | 0 | 0 | 0 | 113 | A199 I205 | A199-D201 VanDerWaalsContact C-N 3.31Å; A199-D201 PolarHBondContact O-N 3.34Å; D201-I205 WeakPolarHBondContact O-CD1 3.42Å; D201-I205 VanDerWaalsContact O-CG1 3.26Å; D201-I205 WeakPolarHBondContact O-CG1 3.45Å |
| 202 | L | 61 | Low | 64 | Low | 100 Ų | 100 | 113 Ų | 113 | 52% | 0.524 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -88.4 | -36 | -179.3 | -70.8 | 174.2 | 0 | 0 | 0 | 113.2 | I198 A199 S204 I205 | I198-L202 HydrophobicContact CG2-CD1 4.26Å; A199-L202 PolarHBondContact O-N 2.88Å; L202-S204 PolarHBondContact O-N 3.39Å; L202-I205 HydrophobicContact CD2-CD1 4.37Å; L202-I205 PolarHBondContact O-N 3.02Å |
| 203 | D | 58.5 | Low | 61.8 | Low | 112 Ų | 112 | 114.1 Ų | 114.1 | 60% | 0.599 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66 | -29.2 | 174.3 | -78 | -20.6 | 0 | 0 | 0 | 111.8 | A199 I205 L207 | A199-D203 PolarHBondContact O-N 3.04Å; D203-I205 VanDerWaalsContact C-N 3.28Å; D203-I205 PolarHBondContact O-N 3.38Å; D203-L207 WeakPolarHBondContact O-CD1 3.45Å; D203-L207 PolarHBondContact O-N 2.92Å |
| 204 | S | 58.7 | Low | 59.4 | Low | 88 Ų | 88 | 118.3 Ų | 118.3 | 62% | 0.615 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.9 | -16.6 | 175.1 | -60.5 | 0 | 0 | 0 | 0 | 114 | E200 L202 | E200-S204 PolarHBondContact O-OG 2.96Å; L202-S204 PolarHBondContact O-N 3.39Å |
| 205 | I | 59.8 | Low | 57.1 | Low | 127 Ų | 127 | 120.9 Ų | 120.9 | 65% | 0.651 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -93.2 | -22.8 | 179.9 | -59.4 | 164.2 | 0 | 0 | 0 | 111.3 | D201 L202 D203 | D201-I205 WeakPolarHBondContact O-CD1 3.42Å; D201-I205 VanDerWaalsContact O-CG1 3.26Å; D201-I205 WeakPolarHBondContact O-CG1 3.45Å; L202-I205 HydrophobicContact CD2-CD1 4.37Å; L202-I205 PolarHBondContact O-N 3.02Å; D203-I205 VanDerWaalsContact C-N 3.28Å; D203-I205 PolarHBondContact O-N 3.38Å |
| 206 | F | 57.4 | Low | 55.1 | Low | 185 Ų | 185 | 120.6 Ų | 120.6 | 81% | 0.811 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -96 | -9.7 | 179.8 | -91.3 | -89.9 | 0 | 0 | 0 | 114.6 | | |
| 207 | L | 58.7 | Low | 53.4 | Low | 136 Ų | 136 | 125.2 Ų | 125.2 | 71% | 0.712 | 71% | 0.705 | S | S | * | * | | | trans | -111.5 | 79.4 | 172.6 | -79.1 | 92.2 | 0 | 0 | 0 | 111.8 | D203 | D203-L207 WeakPolarHBondContact O-CD1 3.45Å; D203-L207 PolarHBondContact O-N 2.92Å |
| 208 | E | 46 | Very low | 51.3 | Low | 168 Ų | 168 | 122.6 Ų | 122.6 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | | | trans | -139.5 | 150.1 | 156.6 | -101.9 | -67.1 | 110.4 | 0 | 0 | 107.9 | | |
| 209 | P | 51.3 | Low | 50 | Low | 93 Ų | 93 | 122 Ų | 122 | 60% | 0.604 | 71% | 0.71 | S | S | * | * | | | | -104.3 | 138.6 | -111.9 | -1 | 23.6 | 0 | 0 | 0 | 110.6 | G211 | P209-G211 PolarHBondContact O-N 3.07Š|
| 210 | S | 39.9 | Very low | 48.7 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | | | trans | -71.3 | 69.9 | 159.8 | -173 | 0 | 0 | 0 | 0 | 109.1 | | |
| 211 | G | 41.5 | Very low | 47.4 | Very low | 61 Ų | 61 | 125.5 Ų | 125.5 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | | | trans | -88 | 99.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109 | P209 | P209-G211 PolarHBondContact O-N 3.07Š|
| 212 | S | 43.8 | Very low | 46.2 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | trans | -50.1 | 139.3 | 166 | -65.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 213 | P | 46.9 | Very low | 44.9 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -92.6 | 110.6 | 152.8 | -2.8 | 22.2 | 0 | 0 | 0 | 109.8 | | |
| 214 | E | 40.5 | Very low | 43.8 | Very low | 187 Ų | 187 | 132.4 Ų | 132.4 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | trans | -58 | 134.2 | 164.5 | -174.2 | 173.4 | 157.3 | 0 | 0 | 111.4 | | |
| 215 | L | 39.5 | Very low | 42.5 | Very low | 162 Ų | 162 | 136 Ų | 136 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | | | trans | -130.2 | 146.6 | 166.9 | -79.3 | 176.1 | 0 | 0 | 0 | 110.3 | | |
| 216 | P | 44.8 | Very low | 41.1 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -89.6 | 168.9 | -147.3 | 36 | -36.8 | 0 | 0 | 0 | 115 | | |
| 217 | P | 48 | Very low | 39.9 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | -97.1 | 135.5 | -176.3 | 36 | -29.3 | 0 | 0 | 0 | 113.1 | | |
| 218 | S | 30.4 | Very low | 38.5 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -175.5 | 163.5 | 157.1 | -128.7 | 0 | 0 | 0 | 0 | 113 | | |
| 219 | P | 45.3 | Very low | 37.9 | Very low | 105 Ų | 105 | 129 Ų | 129 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | | | | -128 | 172.5 | -92.4 | 34.6 | -14.9 | 0 | 0 | 0 | 113.8 | | |
| 220 | E | 32.1 | Very low | 37.2 | Very low | 199 Ų | 199 | 133 Ų | 133 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | | | trans | 44.1 | 132.1 | 152.8 | -67.1 | -171.1 | 178.4 | 0 | 0 | 122 | | |
| 221 | G | 32.7 | Very low | 36.9 | Very low | 72 Ų | 72 | 135.4 Ų | 135.4 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | 152.4 | 101 | 148.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 222 | S | 33.3 | Very low | 36.5 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -22.4 | 144.5 | 157.4 | 55.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 223 | K | 34.1 | Very low | 36.3 | Very low | 207 Ų | 207 | 137.4 Ų | 137.4 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | | | | 168.1 | 145.5 | 98.3 | -149.2 | 166.2 | -176 | -179.2 | 0 | 112 | | |
| 224 | L | 35 | Very low | 35.5 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | | | trans | -73.8 | 169.9 | 177.5 | -68.7 | 165.1 | 0 | 0 | 0 | 114.2 | | |
| 225 | H | 32 | Very low | 35.2 | Very low | 163 Ų | 163 | 135 Ų | 135 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | 80.4 | 141.9 | 160.9 | -100.9 | -104.3 | 0 | 0 | 0 | 116 | | |
| 226 | E | 31.2 | Very low | 35.2 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | cis | -170 | 143.3 | 13.3 | -171.8 | 171.7 | 136 | 0 | 0 | 108.9 | | |
| 227 | D | 31 | Very low | 34.5 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | 52.9 | 147 | 141 | -156.2 | 42.6 | 0 | 0 | 0 | 125.9 | | |
| 228 | S | 29.5 | Very low | 34.4 | Very low | 89 Ų | 89 | 139.1 Ų | 139.1 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | | | trans | 82.6 | 101.9 | 151.1 | -83.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 229 | A | 34.1 | Very low | 34.8 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | | | | 63.7 | 141.9 | 120.2 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 230 | Q | 35.8 | Very low | 34.5 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | 106 | 97.4 | 153.3 | -50.2 | -146.1 | -60.6 | 0 | 0 | 117.5 | | |
| 231 | E | 33.9 | Very low | 35 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | | 55.7 | 103.7 | 115.2 | -147.7 | 166.2 | 161.2 | 0 | 0 | 117.5 | | |
| 232 | A | 32.7 | Very low | 35.2 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | -76.6 | 150.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 233 | P | 39.5 | Very low | 35.2 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | trans | -93.4 | 143.9 | -168.3 | 35.8 | -33.6 | 0 | 0 | 0 | 114.8 | | |
| 234 | S | 30.8 | Very low | 35.8 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | 4.4 | 123 | 143 | 178.7 | 0 | 0 | 0 | 0 | 118.8 | | |
| 235 | L | 34.4 | Very low | 35.8 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | -137.6 | 113 | 149 | -87.3 | -179.6 | 0 | 0 | 0 | 111.7 | | |
| 236 | Q | 38.1 | Very low | 36.4 | Very low | 173 Ų | 173 | 134 Ų | 134 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | | | trans | 62.9 | 105.6 | 141.6 | -62.2 | 179.8 | 25.7 | 0 | 0 | 119.6 | | |
| 237 | D | 31.1 | Very low | 36.9 | Very low | 130 Ų | 130 | 131.4 Ų | 131.4 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | | | trans | -83 | 123.7 | 167.6 | -165.9 | 15.8 | 0 | 0 | 0 | 110.1 | | |
| 238 | M | 46.4 | Very low | 37.5 | Very low | 183 Ų | 183 | 132.1 Ų | 132.1 | 90% | 0.901 | 78% | 0.778 | S | S | * | * | | | trans | -139.6 | 103.1 | 159.3 | -83.6 | -87.5 | 68.3 | 0 | 0 | 107.5 | | |
| 239 | D | 38.6 | Very low | 38.3 | Very low | 125 Ų | 125 | 134 Ų | 134 | 67% | 0.668 | 79% | 0.792 | S | S | * | * | | | trans | -70.1 | 160.1 | 172 | -89.4 | -49.6 | 0 | 0 | 0 | 113.5 | | |
| 240 | I | 38.3 | Very low | 38.4 | Very low | 163 Ų | 163 | 132 Ų | 132 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | | | trans | 116.7 | 132.6 | 156.6 | -59.6 | 159.6 | 0 | 0 | 0 | 114.1 | | |
| 241 | P | 42.5 | Very low | 39.3 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | | | | -135 | 170 | -75 | 37.8 | -15.2 | 0 | 0 | 0 | 114.8 | | |
| 242 | S | 36.4 | Very low | 39.9 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | 54 | 116.5 | 150.3 | -55.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 243 | D | 34.8 | Very low | 40.7 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | | | | -169.4 | 127.8 | 116.3 | -87.6 | -25.6 | 0 | 0 | 0 | 110.4 | | |
| 244 | P | 45.4 | Very low | 41.3 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | trans | -92.5 | 113.1 | -179.4 | 34 | -28.4 | 0 | 0 | 0 | 110.6 | | |
| 245 | S | 35.5 | Very low | 42.1 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 88% | 0.881 | 78% | 0.779 | S | S | * | * | | | trans | -127.8 | 90.9 | 156.2 | -81 | 0 | 0 | 0 | 0 | 108.8 | A247 | S245-A247 PolarHBondContact O-N 2.97Š|
| 246 | T | 43.6 | Very low | 42.6 | Very low | 125 Ų | 125 | 134 Ų | 134 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | | | trans | -55 | 120.8 | 168.3 | 38.7 | 0 | 0 | 0 | 0 | 110.5 | I248 | T246-I248 PolarHBondContact O-N 2.69Š|
| 247 | A | 43 | Very low | 42.6 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | -60.4 | 118.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | S245 | S245-A247 PolarHBondContact O-N 2.97Š|
| 248 | I | 43.2 | Very low | 42.8 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | trans | -106.9 | 91.9 | 155.4 | -60.5 | 179.1 | 0 | 0 | 0 | 105.6 | T246 G250 | T246-I248 PolarHBondContact O-N 2.69Å; I248-G250 PolarHBondContact O-N 3.14Å; I248-G250 VanDerWaalsContact O-N 3.12Å |
| 249 | S | 46.9 | Very low | 42.6 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | trans | -66.3 | 100.6 | 161 | -177.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 250 | G | 36.1 | Very low | 42.6 | Very low | 48 Ų | 48 | 124.6 Ų | 124.6 | 50% | 0.495 | 78% | 0.78 | S | S | . | * | | | trans | -141.4 | 100.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | I248 S252 | I248-G250 PolarHBondContact O-N 3.14Å; I248-G250 VanDerWaalsContact O-N 3.12Å; G250-S252 PolarHBondContact O-N 2.7Å |
| 251 | N | 54 | Low | 42.8 | Very low | 160 Ų | 160 | 125.4 Ų | 125.4 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | -53 | 98 | 165.6 | 48 | -4.4 | 0 | 0 | 0 | 111.5 | | |
| 252 | S | 46.1 | Very low | 42.6 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | | | trans | -153.7 | 110.7 | 165.8 | -74.8 | 0 | 0 | 0 | 0 | 110.2 | G250 I254 | G250-S252 PolarHBondContact O-N 2.7Å; S252-I254 VanDerWaalsContact C-N 3.31Å; S252-I254 PolarHBondContact O-N 3.24Å |
| 253 | N | 49.8 | Very low | 42.9 | Very low | 176 Ų | 176 | 128.2 Ų | 128.2 | 94% | 0.941 | 79% | 0.785 | S | S | * | * | | | trans | -70.3 | 87.4 | 167.5 | -73.1 | -40.1 | 0 | 0 | 0 | 108.9 | | |
| 254 | I | 51.9 | Low | 42.9 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | | | trans | -93.2 | 101.4 | 162.8 | -58.6 | 179.9 | 0 | 0 | 0 | 106.4 | S252 L256 | S252-I254 VanDerWaalsContact C-N 3.31Å; S252-I254 PolarHBondContact O-N 3.24Å; I254-L256 VanDerWaalsContact C-N 3.3Å; I254-L256 HydrophobicContact CG2-CD1 4.32Å; I254-L256 PolarHBondContact O-N 3Å |
| 255 | L | 47.9 | Very low | 42.6 | Very low | 159 Ų | 159 | 128.2 Ų | 128.2 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | -65 | 90.8 | 170.6 | -111 | 151.8 | 0 | 0 | 0 | 108.8 | C257 | L255-C257 PolarHBondContact O-N 3.34Š|
| 256 | L | 43.8 | Very low | 42.6 | Very low | 148 Ų | 148 | 128.8 Ų | 128.8 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | | | trans | -89.5 | 92.7 | 167.2 | -113.2 | 144.6 | 0 | 0 | 0 | 107.5 | I254 A258 | I254-L256 VanDerWaalsContact C-N 3.3Å; I254-L256 HydrophobicContact CG2-CD1 4.32Å; I254-L256 PolarHBondContact O-N 3Å; L256-A258 PolarHBondContact O-N 3.08Å; L256-A258 VanDerWaalsContact O-N 3.14Å |
| 257 | C | 39.6 | Very low | 42.4 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | | | trans | -68.9 | 102.8 | 167.5 | -67.7 | 0 | 0 | 0 | 0 | 109.1 | L255 | L255-C257 PolarHBondContact O-N 3.34Š|
| 258 | A | 35.7 | Very low | 42.4 | Very low | 91 Ų | 91 | 134.7 Ų | 134.7 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | trans | -125.3 | 112.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | L256 | L256-A258 PolarHBondContact O-N 3.08Å; L256-A258 VanDerWaalsContact O-N 3.14Å |
| 259 | S | 40.7 | Very low | 42.6 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | -81.4 | 161.8 | 169.6 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 260 | A | 38.3 | Very low | 42.1 | Very low | 86 Ų | 86 | 131.7 Ų | 131.7 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | | | trans | 92.7 | 130.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 261 | E | 43 | Very low | 42.2 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | | | cis | -142 | 142.7 | 9.5 | -85 | 113.3 | 171.7 | 0 | 0 | 109.5 | | |
| 262 | V | 38.3 | Very low | 41.2 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | | | trans | -127.2 | 109.5 | 156.6 | 170.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 263 | N | 42.9 | Very low | 41 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | trans | -16.2 | 115.5 | 161.2 | -170.6 | -14.1 | 0 | 0 | 0 | 116.3 | C265 | N263-C265 PolarHBondContact OD1-N 3.36Š|
| 264 | I | 35.9 | Very low | 40.7 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | | | trans | -132.1 | 83.5 | 156 | -53.8 | 173.3 | 0 | 0 | 0 | 107.1 | | |
| 265 | C | 38 | Very low | 40.2 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | -111.2 | 98.3 | 158 | -71.7 | 0 | 0 | 0 | 0 | 107.8 | N263 | N263-C265 PolarHBondContact OD1-N 3.36Š|
| 266 | D | 35.8 | Very low | 39.9 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | trans | -157.3 | 130.6 | 138.2 | -138 | -5.4 | 0 | 0 | 0 | 112.5 | | |
| 267 | L | 40 | Very low | 39.8 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | 88.5 | 121.9 | 161.9 | -48.1 | 178.9 | 0 | 0 | 0 | 120.1 | | |
| 268 | E | 42.6 | Very low | 39.9 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -96 | -166.5 | -165.2 | -144.4 | -145.1 | 143.9 | 0 | 0 | 111.2 | | |
| 269 | P | 46.3 | Very low | 40.1 | Very low | 98 Ų | 98 | 144.6 Ų | 144.6 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | | | | -110.9 | 159.7 | -128.6 | 31.7 | -8.8 | 0 | 0 | 0 | 113.6 | | |
| 270 | S | 37.8 | Very low | 40.3 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | | | trans | -136.9 | 106.3 | 161.5 | 73.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 271 | L | 38.3 | Very low | 40.6 | Very low | 169 Ų | 169 | 150.7 Ų | 150.7 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | | | trans | -74.2 | 125.2 | 162 | -60.8 | 172.9 | 0 | 0 | 0 | 107.9 | | |
| 272 | D | 32.3 | Very low | 40.3 | Very low | 128 Ų | 128 | 149.9 Ų | 149.9 | 68% | 0.684 | 81% | 0.812 | S | S | * | * | | | trans | -164 | 132.3 | 140.8 | -129.3 | -11.6 | 0 | 0 | 0 | 114.7 | | |
| 273 | M | 41.4 | Very low | 40.4 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | | | trans | 27.3 | 108.9 | 150.6 | 68.2 | -145.3 | 165.9 | 0 | 0 | 121 | | |
| 274 | K | 43.3 | Very low | 39.9 | Very low | 205 Ų | 205 | 146.8 Ų | 146.8 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | | | | -154.8 | 84 | 128.1 | -150.1 | 169.6 | -179.7 | 179.7 | 0 | 112.7 | | |
| 275 | E | 41.5 | Very low | 39.8 | Very low | 192 Ų | 192 | 147.5 Ų | 147.5 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | | | trans | -54.1 | 137 | 151.5 | -174.8 | 166 | -166.4 | 0 | 0 | 110.3 | | |
| 276 | G | 41.6 | Very low | 39.8 | Very low | 66 Ų | 66 | 150.7 Ų | 150.7 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | | | trans | 116.8 | 66.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 277 | L | 41.8 | Very low | 39.7 | Very low | 170 Ų | 170 | 151.5 Ų | 151.5 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -164.7 | 47.8 | 148.4 | -152 | 101.6 | 0 | 0 | 0 | 113.2 | | |
| 278 | L | 43 | Very low | 39.4 | Very low | 170 Ų | 170 | 152 Ų | 152 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | | | trans | -149 | 36.8 | 174.8 | -120.8 | 141.6 | 0 | 0 | 0 | 114.5 | | |
| 279 | D | 40.3 | Very low | 39.1 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | trans | -122.4 | 115.9 | 160.9 | -81.2 | -39 | 0 | 0 | 0 | 106.8 | | |
| 280 | N | 43.8 | Very low | 38.9 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 161.7 | 17.6 | 149.3 | -86.8 | -57.7 | 0 | 0 | 0 | 116.1 | | |
| 281 | L | 44.1 | Very low | 38.8 | Very low | 177 Ų | 177 | 149.5 Ų | 149.5 | 93% | 0.927 | 80% | 0.797 | S | S | * | * | | | trans | -132.3 | 60.3 | 173.8 | -69.4 | 174.2 | 0 | 0 | 0 | 113.9 | | |
| 282 | L | 37.1 | Very low | 38.6 | Very low | 162 Ų | 162 | 150.3 Ų | 150.3 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | trans | -142.5 | 114 | 157.5 | -164.9 | 72.4 | 0 | 0 | 0 | 111.7 | | |
| 283 | P | 41.1 | Very low | 39 | Very low | 115 Ų | 115 | 150.2 Ų | 150.2 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | | | trans | -85.7 | 118.9 | 159 | -13.5 | 30.6 | 0 | 0 | 0 | 110.9 | | |
| 284 | S | 31.4 | Very low | 38.8 | Very low | 88 Ų | 88 | 147.7 Ų | 147.7 | 62% | 0.615 | 80% | 0.803 | S | S | * | * | | | trans | -46.5 | 133.2 | 163.8 | 174.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 285 | M | 35.4 | Very low | 38.7 | Very low | 178 Ų | 178 | 149.3 Ų | 149.3 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | | | trans | -144.9 | 117 | 153.5 | -53.7 | -87.8 | 73.1 | 0 | 0 | 107.9 | | |
| 286 | E | 37.8 | Very low | 38.7 | Very low | 182 Ų | 182 | 145.7 Ų | 145.7 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | | | trans | -61 | 150.8 | 172.2 | -69.2 | 159.3 | 128.5 | 0 | 0 | 111.6 | | |
| 287 | E | 32.2 | Very low | 39.2 | Very low | 156 Ų | 156 | 148.4 Ų | 148.4 | 73% | 0.729 | 80% | 0.803 | S | S | * | * | | | | 147.5 | 127 | 127.7 | -161.6 | 176.6 | 167.3 | 0 | 0 | 113.6 | | |
| 288 | K | 34.7 | Very low | 39.8 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | | | trans | 70.9 | 105.4 | 157.1 | -90.4 | 169.8 | -176.7 | 132.8 | 0 | 121.3 | | |
| 289 | V | 36.4 | Very low | 40 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -72.7 | 141.5 | 144.1 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 290 | P | 41.1 | Very low | 41.1 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | | | | -137.2 | 123.9 | 116.4 | 30.7 | -14.2 | 0 | 0 | 0 | 113.6 | | |
| 291 | T | 35.9 | Very low | 41.3 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | | | | 28.5 | 137.4 | 129.5 | 50.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 292 | E | 34.9 | Very low | 41.9 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | | | trans | 78.7 | 130.2 | 157.3 | -66.3 | -177.8 | 150.2 | 0 | 0 | 116.5 | | |
| 293 | T | 39.5 | Very low | 42.6 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | cis | -153 | 127.4 | 33.1 | -57.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 294 | A | 37.1 | Very low | 42.6 | Very low | 98 Ų | 98 | 139 Ų | 139 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | trans | -71.7 | 128.1 | 170 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 295 | R | 42.6 | Very low | 43.2 | Very low | 240 Ų | 240 | 140 Ų | 140 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | | | trans | -100.2 | 105.5 | 156 | -83.4 | -178.9 | 174.4 | 157.1 | -0.8 | 107 | V297 | R295-V297 PolarHBondContact O-N 3.28Š|
| 296 | S | 41 | Very low | 43.7 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 121.1 | 176.3 | 46.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 297 | V | 51.3 | Low | 43.8 | Very low | 124 Ų | 124 | 134 Ų | 134 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -87 | 127.6 | 157.1 | 179.3 | 0 | 0 | 0 | 0 | 105.9 | R295 D299 | R295-V297 PolarHBondContact O-N 3.28Å; V297-D299 PolarHBondContact O-N 3.21Å |
| 298 | P | 55.9 | Low | 44.5 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 121.4 | 174.4 | 27.7 | -29.1 | 0 | 0 | 0 | 109.3 | I300 | P298-I300 PolarHBondContact O-N 3.04Š|
| 299 | D | 45.9 | Very low | 45.2 | Very low | 159 Ų | 159 | 130.2 Ų | 130.2 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 121.6 | 168.2 | -68.2 | -41.1 | 0 | 0 | 0 | 108.9 | V297 | V297-D299 PolarHBondContact O-N 3.21Š|
| 300 | I | 62.9 | Low | 45.7 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | trans | -91.6 | 108.1 | 175.7 | -144.3 | 142.4 | 0 | 0 | 0 | 107.7 | P298 L302 | P298-I300 PolarHBondContact O-N 3.04Å; I300-L302 HydrophobicContact CG2-CG 4.33Å; I300-L302 PolarHBondContact O-N 3.5Å |
| 301 | D | 48.5 | Very low | 45.9 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | trans | -82.6 | 107.4 | -177.3 | -156.1 | -2.2 | 0 | 0 | 0 | 109.1 | S303 | D301-S303 VanDerWaalsContact C-N 3.31Š|
| 302 | L | 56.9 | Low | 46.5 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | | | trans | -95.3 | 29.5 | -179 | -69.6 | 176.7 | 0 | 0 | 0 | 112.7 | I300 | I300-L302 HydrophobicContact CG2-CG 4.33Å; I300-L302 PolarHBondContact O-N 3.5Å |
| 303 | S | 52.4 | Low | 47.3 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | trans | -128.6 | 76.8 | 179.2 | -173.8 | 0 | 0 | 0 | 0 | 111.1 | D301 | D301-S303 VanDerWaalsContact C-N 3.31Š|
| 304 | G | 41.4 | Very low | 47.7 | Very low | 72 Ų | 72 | 132.5 Ų | 132.5 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 179 | 63.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 305 | S | 44 | Very low | 48.3 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | trans | 76.8 | 119.4 | 143.5 | -137.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 306 | L | 44.4 | Very low | 48.6 | Very low | 173 Ų | 173 | 133.4 Ų | 133.4 | 91% | 0.906 | 75% | 0.747 | S | S | * | * | | | trans | 83.8 | 96.5 | 149.2 | -58.6 | 160.2 | 0 | 0 | 0 | 118.6 | | |
| 307 | G | 41.2 | Very low | 48.8 | Very low | 62 Ų | 62 | 132.7 Ų | 132.7 | 64% | 0.639 | 74% | 0.742 | S | S | * | * | | | trans | 177.1 | 27.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | T309 | G307-T309 PolarHBondContact O-N 3.22Š|
| 308 | V | 47 | Very low | 48.6 | Very low | 151 Ų | 151 | 132 Ų | 132 | 92% | 0.915 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 81.1 | 166.5 | 178.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 309 | T | 48.6 | Very low | 48.2 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 59% | 0.589 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151 | -6.7 | 170.1 | -33.5 | 0 | 0 | 0 | 0 | 115.1 | G307 | G307-T309 PolarHBondContact O-N 3.22Š|
| 310 | D | 46.7 | Very low | 48.2 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 67% | 0.674 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -91.5 | -8 | -171.3 | -67.7 | -9.6 | 0 | 0 | 0 | 115.3 | | |
| 311 | W | 45.7 | Very low | 47.5 | Very low | 217 Ų | 217 | 129.9 Ų | 129.9 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -19 | 179.6 | -66.6 | 108.8 | 0 | 0 | 0 | 114.4 | L314 | W311-L314 HydrophobicContact CE3-CD1 4.43Å; W311-L314 HydrophobicContact CZ3-CD1 4.36Å |
| 312 | E | 48.5 | Very low | 47.3 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -18.3 | 175.3 | -82.1 | -171.6 | 144 | 0 | 0 | 113.5 | | |
| 313 | T | 50.7 | Low | 47.2 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 56% | 0.564 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -84.6 | -22.1 | -175.6 | -53 | 0 | 0 | 0 | 0 | 112.7 | | |
| 314 | L | 48.2 | Very low | 46.9 | Very low | 118 Ų | 118 | 131 Ų | 131 | 62% | 0.618 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -78.6 | -20.7 | 177.7 | -70.1 | 174.4 | 0 | 0 | 0 | 113.6 | W311 | W311-L314 HydrophobicContact CE3-CD1 4.43Å; W311-L314 HydrophobicContact CZ3-CD1 4.36Å |
| 315 | Y | 49.7 | Very low | 47 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -88.4 | -18 | 177.5 | -88.7 | -85 | 0 | 0 | 0 | 114.2 | S319 | Y315-S319 PolarHBondContact O-OG 3.04Å |
| 316 | K | 49.6 | Very low | 47.4 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -94.4 | -15.2 | 179.5 | -87.4 | 163.1 | 77 | 176.6 | 0 | 115.1 | | |
| 317 | S | 45.9 | Very low | 47.2 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -91 | -7.3 | 179.5 | -83.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 318 | V | 45.9 | Very low | 47.5 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 67% | 0.667 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -95.5 | -5.6 | 171.8 | -96.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 319 | S | 47.5 | Very low | 47.3 | Very low | 90 Ų | 90 | 134.6 Ų | 134.6 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -92.8 | -4.1 | -176.5 | -52.7 | 0 | 0 | 0 | 0 | 114.8 | Y315 | Y315-S319 PolarHBondContact O-OG 3.04Š|
| 320 | N | 45.9 | Very low | 47.1 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -119.7 | 8.3 | -171.9 | -97 | 41.9 | 0 | 0 | 0 | 115.8 | | |
| 321 | D | 48.5 | Very low | 47.1 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | | | trans | -132.4 | 59.8 | 176.5 | -163.2 | 31.9 | 0 | 0 | 0 | 112.2 | | |
| 322 | L | 45.1 | Very low | 46.7 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | | | trans | -118.2 | 78.3 | 162.8 | -67.5 | 177.5 | 0 | 0 | 0 | 108.4 | | |
| 323 | E | 53.2 | Low | 46.5 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | | | trans | -58.2 | 129.8 | 155.8 | -165.1 | 179.6 | -167.6 | 0 | 0 | 108.2 | L325 | E323-L325 PolarHBondContact O-N 3.23Š|
| 324 | P | 46.9 | Very low | 46.6 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | | | trans | -74.6 | 92.7 | -177.1 | 29.3 | -32.2 | 0 | 0 | 0 | 109.6 | S326 | P324-S326 PolarHBondContact O-N 2.95Š|
| 325 | L | 44.4 | Very low | 46.1 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | trans | -67.5 | 103.9 | 164.9 | -79.4 | 165.3 | 0 | 0 | 0 | 108.9 | E323 T327 | E323-L325 PolarHBondContact O-N 3.23Å; L325-T327 PolarHBondContact O-N 2.65Å |
| 326 | S | 52 | Low | 45.6 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | | | trans | -55.9 | 95.2 | 173.2 | -38.1 | 0 | 0 | 0 | 0 | 111.4 | P324 | P324-S326 PolarHBondContact O-N 2.95Š|
| 327 | T | 40.3 | Very low | 45 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 135 | 167.1 | 53.6 | 0 | 0 | 0 | 0 | 110.2 | L325 | L325-T327 PolarHBondContact O-N 2.65Š|
| 328 | P | 47.1 | Very low | 44.9 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 138.2 | -170.7 | 25.5 | -34.1 | 0 | 0 | 0 | 113 | V330 | P328-V330 PolarHBondContact O-N 3.23Š|
| 329 | V | 43.7 | Very low | 44.8 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 117.8 | 171.4 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 330 | V | 44.5 | Very low | 44.7 | Very low | 142 Ų | 142 | 130.1 Ų | 130.1 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | | | trans | -101.9 | 107.4 | 157.7 | -179.5 | 0 | 0 | 0 | 0 | 107.1 | P328 S332 | P328-V330 PolarHBondContact O-N 3.23Å; V330-S332 PolarHBondContact O-N 2.72Å |
| 331 | T | 45.6 | Very low | 44.3 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | | | trans | -64.3 | 116.1 | 177 | -58 | 0 | 0 | 0 | 0 | 110.8 | | |
| 332 | S | 38 | Very low | 44.1 | Very low | 94 Ų | 94 | 127.3 Ų | 127.3 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | | | trans | 55.2 | 118.3 | 139.8 | -38.2 | 0 | 0 | 0 | 0 | 120.6 | V330 | V330-S332 PolarHBondContact O-N 2.72Š|
| 333 | T | 44.5 | Very low | 43.8 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | trans | -44.2 | 137.7 | 139.4 | 45.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 334 | P | 51.9 | Low | 43.3 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | | | trans | -83.9 | 117.4 | 148.4 | 29.8 | -27 | 0 | 0 | 0 | 109.4 | | |
| 335 | T | 38.6 | Very low | 42.6 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | trans | -46.1 | 130.5 | 166.2 | -48.9 | 0 | 0 | 0 | 0 | 110.9 | S337 | T335-S337 PolarHBondContact O-N 2.87Š|
| 336 | C | 38.3 | Very low | 42.4 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | | | trans | -57.6 | 105.3 | 166.2 | 171.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 337 | S | 37.7 | Very low | 41.5 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 57% | 0.566 | 74% | 0.739 | S | S | * | * | | | trans | -69.6 | 126.9 | 168.2 | -177 | 0 | 0 | 0 | 0 | 108.5 | T335 Y339 | T335-S337 PolarHBondContact O-N 2.87Å; S337-Y339 VanDerWaalsContact C-N 3.31Å; S337-Y339 PolarHBondContact O-N 3.36Å |
| 338 | S | 43.9 | Very low | 41.8 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | | | trans | -61.2 | 90.3 | 167.4 | 172.8 | 0 | 0 | 0 | 0 | 109.6 | L340 | S338-L340 PolarHBondContact O-N 3.43Å; S338-L340 VanDerWaalsContact O-N 3.14Å |
| 339 | Y | 42.4 | Very low | 41.3 | Very low | 195 Ų | 195 | 128.9 Ų | 128.9 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | | | trans | -75.6 | 94 | 164.1 | -91.2 | -89.7 | 0 | 0 | 0 | 108.6 | S337 T341 | S337-Y339 VanDerWaalsContact C-N 3.31Å; S337-Y339 PolarHBondContact O-N 3.36Å; Y339-T341 PolarHBondContact O-N 3.36Å |
| 340 | L | 46.3 | Very low | 41.1 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | | | trans | -68.8 | 91.1 | 152.7 | -88.2 | 165 | 0 | 0 | 0 | 107 | S338 I342 | S338-L340 PolarHBondContact O-N 3.43Å; S338-L340 VanDerWaalsContact O-N 3.14Å; L340-I342 VanDerWaalsContact C-N 3.34Å; L340-I342 PolarHBondContact O-N 3.34Å; L340-I342 VanDerWaalsContact O-N 3.08Å |
| 341 | T | 37.3 | Very low | 40.6 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 56% | 0.564 | 74% | 0.743 | S | S | * | * | | | trans | -76.5 | 90.7 | 169 | -39.5 | 0 | 0 | 0 | 0 | 107.9 | Y339 F343 | Y339-T341 PolarHBondContact O-N 3.36Å; T341-F343 HydrophobicContact CG2-CD2 4.1Å; T341-F343 HydrophobicContact CG2-CE2 3.74Å; T341-F343 HydrophobicContact CG2-CZ 4.25Å; T341-F343 PolarHBondContact O-N 3.38Å |
| 342 | I | 43.8 | Very low | 40.2 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | | | trans | -71.1 | 105 | 167.4 | -61.7 | 173.1 | 0 | 0 | 0 | 106.7 | L340 T344 | L340-I342 VanDerWaalsContact C-N 3.34Å; L340-I342 PolarHBondContact O-N 3.34Å; L340-I342 VanDerWaalsContact O-N 3.08Å; I342-T344 HydrophobicContact CG2-CG2 4.15Å; I342-T344 PolarHBondContact O-N 3.28Å |
| 343 | F | 40 | Very low | 40 | Very low | 188 Ų | 188 | 136.8 Ų | 136.8 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | | | trans | -78.6 | 100.6 | 163.2 | -80.5 | -85.6 | 0 | 0 | 0 | 108.1 | T341 F345 | T341-F343 HydrophobicContact CG2-CD2 4.1Å; T341-F343 HydrophobicContact CG2-CE2 3.74Å; T341-F343 HydrophobicContact CG2-CZ 4.25Å; T341-F343 PolarHBondContact O-N 3.38Å; F343-F345 PolarHBondContact O-N 3.36Å |
| 344 | T | 43.1 | Very low | 39.4 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | trans | -74.1 | 106.6 | 163.5 | 39.4 | 0 | 0 | 0 | 0 | 108.7 | I342 S346 | I342-T344 HydrophobicContact CG2-CG2 4.15Å; I342-T344 PolarHBondContact O-N 3.28Å; T344-S346 PolarHBondContact O-N 2.97Å |
| 345 | F | 31.2 | Very low | 38.6 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | -81.2 | 108.9 | 164.3 | -172.7 | -97.3 | 0 | 0 | 0 | 108.1 | F343 C347 | F343-F345 PolarHBondContact O-N 3.36Å; F345-C347 HydrophobicContact CD1-CB 4.06Å; F345-C347 HydrophobicContact CE1-CB 4.13Å; F345-C347 PolarHBondContact O-N 3.5Å |
| 346 | S | 40.1 | Very low | 38.2 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | | | trans | -70.7 | 96.1 | 167.5 | -62.9 | 0 | 0 | 0 | 0 | 108.4 | T344 P348 | T344-S346 PolarHBondContact O-N 2.97Å; S346-P348 WeakPolarHBondContact O-CD 3.46Å |
| 347 | C | 33.4 | Very low | 38 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | | | trans | -76.8 | 119.2 | 167.6 | -147.7 | 0 | 0 | 0 | 0 | 107.6 | F345 E349 | F345-C347 HydrophobicContact CD1-CB 4.06Å; F345-C347 HydrophobicContact CE1-CB 4.13Å; F345-C347 PolarHBondContact O-N 3.5Å; C347-E349 PolarHBondContact O-N 3.06Å |
| 348 | P | 46.7 | Very low | 37.8 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | | | trans | -67.1 | 131 | 168.8 | 25.5 | -29.2 | 0 | 0 | 0 | 109.6 | S346 L350 | S346-P348 WeakPolarHBondContact O-CD 3.46Å; P348-L350 PolarHBondContact O-N 2.96Å |
| 349 | E | 35.4 | Very low | 37.2 | Very low | 174 Ų | 174 | 140.4 Ų | 140.4 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | trans | -42.8 | 122.6 | 170.2 | -79 | 164.1 | 136 | 0 | 0 | 111.4 | C347 | C347-E349 PolarHBondContact O-N 3.06Š|
| 350 | L | 40.5 | Very low | 36.8 | Very low | 181 Ų | 181 | 141.8 Ų | 141.8 | 95% | 0.948 | 78% | 0.778 | S | S | * | * | | | trans | -105.2 | 94.2 | 152.2 | -78.8 | 173.8 | 0 | 0 | 0 | 107 | P348 | P348-L350 PolarHBondContact O-N 2.96Š|
| 351 | D | 34.7 | Very low | 36.3 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | | | trans | -80.5 | 132.5 | 173.3 | -141.9 | 1.8 | 0 | 0 | 0 | 109.4 | | |
| 352 | S | 35.5 | Very low | 36 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | | | trans | 70.7 | 127 | 146.7 | -141 | 0 | 0 | 0 | 0 | 121.7 | | |
| 353 | F | 34 | Very low | 35.5 | Very low | 211 Ų | 211 | 141.9 Ų | 141.9 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | | | trans | -55.1 | 139.7 | 164.3 | -75.6 | -101.1 | 0 | 0 | 0 | 112.2 | | |
| 354 | G | 32.2 | Very low | 35.3 | Very low | 78 Ų | 78 | 140.2 Ų | 140.2 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -146.4 | 98.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 355 | E | 34.6 | Very low | 34.9 | Very low | 204 Ų | 204 | 138.1 Ų | 138.1 | 95% | 0.953 | 80% | 0.803 | S | S | * | * | | | trans | -55.8 | 141.7 | 172.7 | -174.3 | 168.1 | 178.6 | 0 | 0 | 113.3 | | |
| 356 | G | 31.8 | Very low | 35.2 | Very low | 71 Ų | 71 | 139.8 Ų | 139.8 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | | | trans | 150.7 | 113.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 357 | F | 32.5 | Very low | 35 | Very low | 198 Ų | 198 | 138.7 Ų | 138.7 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | | | trans | 85.8 | 97.1 | 142.9 | -113 | -98.2 | 0 | 0 | 0 | 121.5 | | |
| 358 | D | 33.4 | Very low | 35 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | | | | 40.8 | 125.8 | 111.2 | -137.5 | -10.8 | 0 | 0 | 0 | 119.5 | | |
| 359 | G | 31.6 | Very low | 34.5 | Very low | 61 Ų | 61 | 142.2 Ų | 142.2 | 63% | 0.629 | 82% | 0.816 | S | S | * | * | | | trans | 146.6 | 92.5 | 153 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 360 | R | 34.8 | Very low | 34.7 | Very low | 225 Ų | 225 | 140.1 Ų | 140.1 | 85% | 0.849 | 82% | 0.815 | S | S | * | * | | | | 75.2 | 124.6 | 129.5 | -64.6 | 177.4 | 164.2 | -113 | -9.1 | 121.6 | | |
| 361 | K | 36.3 | Very low | 34.7 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 79% | 0.787 | 81% | 0.806 | S | S | * | * | | | | 79.5 | 113.8 | 128.9 | -91 | -171.7 | 168.6 | -172.3 | 0 | 120.1 | | |
| 362 | S | 29.5 | Very low | 35 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | | 74.8 | 118.2 | 115.4 | -167.3 | 0 | 0 | 0 | 0 | 118.4 | | |
| 363 | G | 33.3 | Very low | 35.4 | Very low | 76 Ų | 76 | 141.1 Ų | 141.1 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | | | trans | 179.2 | 79.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 364 | V | 36.1 | Very low | 35.6 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | | | trans | -61.1 | 136.8 | 165.8 | 164.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 365 | G | 34.6 | Very low | 35.7 | Very low | 77 Ų | 77 | 141.5 Ų | 141.5 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | trans | -167.3 | 93.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 366 | K | 38 | Very low | 36.7 | Very low | 212 Ų | 212 | 138 Ų | 138 | 92% | 0.922 | 80% | 0.798 | S | S | * | * | | | trans | -78.3 | 138.9 | 166.2 | -101.1 | -176.4 | 167.4 | -178.9 | 0 | 110.2 | | |
| 367 | A | 35.8 | Very low | 37.4 | Very low | 86 Ų | 86 | 140.9 Ų | 140.9 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | trans | -174.9 | 109.3 | 143.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 368 | E | 33 | Very low | 38.1 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | | | | 63.9 | 94.2 | 100.9 | -75.1 | -177.7 | 156.2 | 0 | 0 | 112.8 | | |
| 369 | S | 37.9 | Very low | 38.6 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | | | | 60.6 | 102.1 | 91.2 | 68.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 370 | V | 38.3 | Very low | 39.2 | Very low | 130 Ų | 130 | 141.6 Ų | 141.6 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | | | trans | -150.5 | 120.6 | 139.6 | -168 | 0 | 0 | 0 | 0 | 110.1 | I372 | V370-I372 HydrophobicContact CG1-CD1 4.32Å; V370-I372 HydrophobicContact CG1-CG1 3.99Å |
| 371 | D | 40.7 | Very low | 39.4 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 77% | 0.765 | 83% | 0.833 | S | S | * | * | | | trans | -75.6 | 120.6 | 171.8 | -153 | -3.9 | 0 | 0 | 0 | 109.5 | | |
| 372 | I | 41.6 | Very low | 39.6 | Very low | 147 Ų | 147 | 141 Ų | 141 | 75% | 0.754 | 84% | 0.835 | S | S | * | * | | | trans | -138 | 73.8 | 170 | -50.9 | 178.9 | 0 | 0 | 0 | 109.6 | V370 | V370-I372 HydrophobicContact CG1-CD1 4.32Å; V370-I372 HydrophobicContact CG1-CG1 3.99Å |
| 373 | L | 42.9 | Very low | 40.1 | Very low | 158 Ų | 158 | 141.9 Ų | 141.9 | 83% | 0.827 | 83% | 0.834 | S | S | * | * | | | trans | -78.8 | 104.2 | 152.6 | -74.1 | 166 | 0 | 0 | 0 | 108.6 | | |
| 374 | K | 37.9 | Very low | 40.5 | Very low | 192 Ų | 192 | 145.6 Ų | 145.6 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | | | trans | -138.9 | 114.7 | 156.8 | -96.4 | -175.6 | -179.2 | 177.7 | 0 | 110.6 | | |
| 375 | S | 36 | Very low | 40.8 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 74% | 0.741 | 83% | 0.832 | S | S | * | * | | | trans | -36.5 | 152.1 | 174.1 | 40 | 0 | 0 | 0 | 0 | 117.6 | | |
| 376 | P | 55.7 | Low | 41.2 | Very low | 129 Ų | 129 | 149.4 Ų | 149.4 | 84% | 0.838 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 133.6 | 175.8 | -5.6 | 23.4 | 0 | 0 | 0 | 112.6 | L378 | P376-L378 PolarHBondContact O-N 2.9Š|
| 377 | T | 45.3 | Very low | 41.4 | Very low | 133 Ų | 133 | 145.3 Ų | 145.3 | 82% | 0.816 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 116.9 | 172.8 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 378 | L | 47.4 | Very low | 41.8 | Very low | 164 Ų | 164 | 149.5 Ų | 149.5 | 86% | 0.859 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 117.5 | 156 | -78.1 | 173.6 | 0 | 0 | 0 | 108.8 | P376 | P376-L378 PolarHBondContact O-N 2.9Š|
| 379 | L | 43.8 | Very low | 42.4 | Very low | 165 Ų | 165 | 147 Ų | 147 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | | | trans | 178.4 | 112 | 153.8 | -105.7 | 155.7 | 0 | 0 | 0 | 110.3 | | |
| 380 | A | 44 | Very low | 42.8 | Very low | 90 Ų | 90 | 150.7 Ų | 150.7 | 74% | 0.744 | 85% | 0.845 | S | S | * | * | | | trans | -175.9 | 107.6 | 132.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 381 | L | 40.3 | Very low | 43.2 | Very low | 251 Ų | 251 | 152.5 Ų | 152.5 | 100% | 1.314 | 85% | 0.851 | S | S | * | * | | | trans | 48.2 | 0 | 139.7 | -64.4 | 168.5 | 0 | 0 | 0 | 120.3 | | |