| 1 | M | 35 | Very low | 46 | Very low | 233 Ų | 233 | 135.1 Ų | 135.1 | 100% | 1.148 | 80% | 0.796 | S | S | * | * | | | | 0 | 158.9 | 0 | -69.6 | 150.2 | 72.6 | 0 | 0 | 108.8 | | |
| 2 | S | 37.8 | Very low | 45.4 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | 42.9 | 117 | 157.9 | -46.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 3 | S | 49.8 | Very low | 44.8 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | | | trans | -78.8 | 164.3 | 150.6 | -166 | 0 | 0 | 0 | 0 | 109.5 | | |
| 4 | P | 61.3 | Low | 44.2 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | | -145.7 | -179.7 | 94.4 | 37.8 | -20.3 | 0 | 0 | 0 | 116.7 | | |
| 5 | R | 46.4 | Very low | 43.8 | Very low | 231 Ų | 231 | 129.5 Ų | 129.5 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | | | trans | -97.1 | -164.5 | 173.8 | -109.7 | -179.3 | -179.5 | -178.9 | 0.7 | 109.6 | | |
| 6 | P | 69.3 | Low | 43.1 | Very low | 87 Ų | 87 | 129.6 Ų | 129.6 | 57% | 0.565 | 79% | 0.791 | S | S | * | * | | | cis | -133.4 | -165.4 | -38 | 36.5 | -18.2 | 0 | 0 | 0 | 112.4 | | |
| 7 | H | 35.6 | Very low | 42.7 | Very low | 184 Ų | 184 | 127.1 Ų | 127.1 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | | | | 163.4 | 170.5 | 124.6 | -86.8 | -70.2 | 0 | 0 | 0 | 114.2 | | |
| 8 | G | 28.1 | Very low | 42.2 | Very low | 65 Ų | 65 | 128.7 Ų | 128.7 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | | | trans | -149.9 | -148.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 9 | P | 60.8 | Low | 41.5 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | | | cis | -142.2 | -147.1 | -13.5 | 42.5 | -20.4 | 0 | 0 | 0 | 113.4 | | |
| 10 | A | 39.6 | Very low | 41.2 | Very low | 77 Ų | 77 | 131.2 Ų | 131.2 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | | | trans | 91.2 | 121.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 11 | T | 42 | Very low | 40.9 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | | | | 89.9 | 153.2 | 96.8 | 55 | 0 | 0 | 0 | 0 | 116.4 | | |
| 12 | S | 38.4 | Very low | 40.9 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | cis | -175.4 | -179.5 | -15.4 | -87.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 13 | A | 37.6 | Very low | 41 | Very low | 93 Ų | 93 | 127.1 Ų | 127.1 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | trans | 79.8 | 158.1 | 158 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 14 | T | 37.3 | Very low | 40.3 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | cis | -175 | 155.2 | -20.4 | -89.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 15 | T | 37.3 | Very low | 38.8 | Very low | 131 Ų | 131 | 128 Ų | 128 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | 84.8 | 171.7 | 156.8 | -75.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 16 | T | 33.2 | Very low | 38.1 | Very low | 131 Ų | 131 | 120.3 Ų | 120.3 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -139.3 | 159.2 | -143.7 | -40.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 17 | A | 36 | Very low | 36.4 | Very low | 86 Ų | 86 | 124.4 Ų | 124.4 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | trans | 130.1 | 147.2 | 132.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 18 | L | 33.8 | Very low | 36.6 | Very low | 157 Ų | 157 | 121.5 Ų | 121.5 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | 67.7 | 97.1 | 151.9 | -70.8 | 170.2 | 0 | 0 | 0 | 125.1 | | |
| 19 | N | 28.8 | Very low | 37 | Very low | 141 Ų | 141 | 123.9 Ų | 123.9 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | | 55.1 | 134.4 | 113.2 | -112 | -34.4 | 0 | 0 | 0 | 126 | | |
| 20 | Q | 35.3 | Very low | 36 | Very low | 166 Ų | 166 | 120.6 Ų | 120.6 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | 67.7 | 152.7 | 154.2 | -64.2 | -141.9 | 84.3 | 0 | 0 | 121.3 | | |
| 21 | S | 35.8 | Very low | 35.9 | Very low | 90 Ų | 90 | 126.9 Ų | 126.9 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | | | cis | -175.5 | 120.5 | -24.8 | -89.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 22 | V | 35.1 | Very low | 35.5 | Very low | 150 Ų | 150 | 124 Ų | 124 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | trans | -150.5 | 144.1 | 162.3 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 23 | L | 38.7 | Very low | 35.3 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | | | trans | -99.2 | 148.4 | 173.7 | -65.4 | 159.6 | 0 | 0 | 0 | 109.6 | | |
| 24 | L | 36.8 | Very low | 35.3 | Very low | 176 Ų | 176 | 131.7 Ų | 131.7 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | | | | -168.1 | 158.8 | 66.2 | -75 | 155.5 | 0 | 0 | 0 | 107.5 | | |
| 25 | G | 28.5 | Very low | 35.2 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | | | cis | -179.2 | -173.8 | -0.6 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 26 | G | 31.1 | Very low | 35.1 | Very low | 70 Ų | 70 | 137.5 Ų | 137.5 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | | | trans | 115.7 | 47.4 | 172 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 27 | N | 33.6 | Very low | 35.5 | Very low | 172 Ų | 172 | 143 Ų | 143 | 92% | 0.92 | 82% | 0.82 | S | S | * | * | | | trans | 29.3 | 101 | 160.2 | -64.8 | 12.7 | 0 | 0 | 0 | 118.8 | | |
| 28 | S | 39.8 | Very low | 35.4 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | | | trans | -115.3 | 149 | 167.1 | -65.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 29 | A | 37.6 | Very low | 35.7 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 94% | 0.942 | 82% | 0.822 | S | S | * | * | | | trans | -149.5 | 71.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 30 | G | 39.8 | Very low | 36.1 | Very low | 62 Ų | 62 | 148 Ų | 148 | 64% | 0.639 | 82% | 0.824 | S | S | * | * | | | trans | -121.2 | 169.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 31 | Q | 36.8 | Very low | 36.1 | Very low | 210 Ų | 210 | 145.4 Ų | 145.4 | 98% | 0.981 | 83% | 0.825 | S | S | * | * | | | trans | 69 | 148.6 | -173 | -45.1 | -178.8 | 19.6 | 0 | 0 | 113.2 | | |
| 32 | G | 34.8 | Very low | 36.2 | Very low | 70 Ų | 70 | 148.6 Ų | 148.6 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | | | cis | 147.6 | 94.3 | -2.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 33 | Q | 34.3 | Very low | 36.5 | Very low | 194 Ų | 194 | 152.5 Ų | 152.5 | 91% | 0.907 | 83% | 0.832 | S | S | * | * | | | trans | -92.5 | 137.8 | -177.8 | -67.8 | -159.6 | 2.6 | 0 | 0 | 112.7 | | |
| 34 | M | 36.3 | Very low | 36.3 | Very low | 167 Ų | 167 | 152.7 Ų | 152.7 | 82% | 0.823 | 83% | 0.834 | S | S | * | * | | | trans | -84.2 | 137 | -178.3 | -60.9 | -155.5 | -65.2 | 0 | 0 | 111.9 | L36 | M34-L36 PolarHBondContact O-N 2.78Š|
| 35 | Y | 36.7 | Very low | 36.6 | Very low | 236 Ų | 236 | 150.2 Ų | 150.2 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | | | trans | -73.4 | 88.5 | 174.4 | -86.9 | -94.4 | 0 | 0 | 0 | 111.9 | R37 | Y35-R37 PolarHBondContact O-N 3.06Å; Y35-R37 VanDerWaalsContact O-N 3.13Å |
| 36 | L | 34.5 | Very low | 37 | Very low | 142 Ų | 142 | 154.5 Ų | 154.5 | 74% | 0.743 | 83% | 0.832 | S | S | * | * | | | trans | -70.5 | 102.2 | 159.8 | -84.1 | 87.6 | 0 | 0 | 0 | 109.5 | M34 V38 | M34-L36 PolarHBondContact O-N 2.78Å; L36-V38 VanDerWaalsContact C-N 3.25Å; L36-V38 HydrophobicContact CB-CG2 4.24Å; L36-V38 PolarHBondContact O-N 3.29Å |
| 37 | R | 41.7 | Very low | 37.1 | Very low | 247 Ų | 247 | 157.8 Ų | 157.8 | 93% | 0.932 | 84% | 0.838 | S | S | * | * | | | trans | -74.2 | 76.4 | 171.4 | -174 | -175 | -74.7 | 164.8 | -3.8 | 110.4 | Y35 N39 | Y35-R37 PolarHBondContact O-N 3.06Å; Y35-R37 VanDerWaalsContact O-N 3.13Å; R37-N39 PolarHBondContact O-N 3.32Å |
| 38 | V | 34.1 | Very low | 36.9 | Very low | 110 Ų | 110 | 155 Ų | 155 | 67% | 0.667 | 83% | 0.833 | S | S | * | * | | | trans | -80.2 | 112.5 | 172.8 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | L36 R40 | L36-V38 VanDerWaalsContact C-N 3.25Å; L36-V38 HydrophobicContact CB-CG2 4.24Å; L36-V38 PolarHBondContact O-N 3.29Å; V38-R40 HydrophobicContact CG1-CB 4.42Å; V38-R40 PolarHBondContact O-N 2.71Å |
| 39 | N | 38.9 | Very low | 36.6 | Very low | 169 Ų | 169 | 157.3 Ų | 157.3 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | | | trans | -81.4 | 104.5 | 174.4 | -150.7 | -3.8 | 0 | 0 | 0 | 108.3 | R37 | R37-N39 PolarHBondContact O-N 3.32Š|
| 40 | R | 37 | Very low | 36.6 | Very low | 209 Ų | 209 | 160.3 Ų | 160.3 | 79% | 0.789 | 83% | 0.829 | S | S | * | * | | | trans | -126 | 109.6 | -177.1 | -158.8 | 170.2 | -168.5 | 166.2 | 3.9 | 112.2 | V38 | V38-R40 HydrophobicContact CG1-CB 4.42Å; V38-R40 PolarHBondContact O-N 2.71Å |
| 41 | S | 35.9 | Very low | 36.4 | Very low | 113 Ų | 113 | 164 Ų | 164 | 79% | 0.79 | 83% | 0.833 | S | S | * | * | | | trans | -62.2 | 137.3 | 167.6 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 42 | L | 38.8 | Very low | 36.3 | Very low | 156 Ų | 156 | 164 Ų | 164 | 82% | 0.817 | 83% | 0.83 | S | S | * | * | | | trans | -112.3 | 100.2 | 175.8 | -69.6 | 176.9 | 0 | 0 | 0 | 110.2 | | |
| 43 | R | 39.8 | Very low | 36.4 | Very low | 233 Ų | 233 | 168 Ų | 168 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 159.4 | 151.1 | -93.8 | -178.1 | 165.3 | 175.7 | -5.3 | 109.1 | | |
| 44 | N | 35.7 | Very low | 37 | Very low | 156 Ų | 156 | 165 Ų | 165 | 83% | 0.834 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 142.4 | 177.9 | -60.2 | 27.9 | 0 | 0 | 0 | 112 | | |
| 45 | P | 42.8 | Very low | 36.8 | Very low | 124 Ų | 124 | 160.3 Ų | 160.3 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 140.8 | 161 | 32.3 | -32.2 | 0 | 0 | 0 | 110.4 | | |
| 46 | L | 37.3 | Very low | 36.7 | Very low | 167 Ų | 167 | 152.7 Ų | 152.7 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 169.6 | 158.7 | -79.7 | 168.1 | 0 | 0 | 0 | 109.8 | S48 | L46-S48 PolarHBondContact O-N 3.32Š|
| 47 | T | 32.5 | Very low | 36.9 | Very low | 138 Ų | 138 | 152.8 Ų | 152.8 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 127.1 | -175 | 48.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 48 | S | 30.5 | Very low | 36.5 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 129.6 | 166.6 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | L46 | L46-S48 PolarHBondContact O-N 3.32Š|
| 49 | Q | 33.3 | Very low | 36.6 | Very low | 172 Ų | 172 | 147.4 Ų | 147.4 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 154.1 | 157.4 | -65.1 | 174 | -8.4 | 0 | 0 | 109.7 | | |
| 50 | L | 38.2 | Very low | 36.4 | Very low | 176 Ų | 176 | 144.1 Ų | 144.1 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | | | trans | -128.1 | 125.8 | 161 | -75.4 | 175.7 | 0 | 0 | 0 | 108.8 | | |
| 51 | I | 35.7 | Very low | 36.3 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 72% | 0.723 | 83% | 0.827 | S | S | * | * | | | trans | -105.9 | 127.9 | 170.8 | -64 | 171.5 | 0 | 0 | 0 | 107.1 | | |
| 52 | F | 34.1 | Very low | 36.2 | Very low | 208 Ų | 208 | 139.1 Ų | 139.1 | 91% | 0.912 | 82% | 0.821 | S | S | * | * | | | trans | -149.7 | 135.2 | 155.5 | -123.3 | -84.2 | 0 | 0 | 0 | 109.6 | | |
| 53 | M | 37 | Very low | 36 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 77% | 0.768 | 82% | 0.819 | S | S | * | * | | | trans | -86.5 | 155.7 | 174.3 | -62.1 | -178.6 | 72.1 | 0 | 0 | 110.4 | | |
| 54 | P | 46.2 | Very low | 35.8 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | | | | -126 | 174.8 | 107.7 | 36.9 | -32.3 | 0 | 0 | 0 | 112.2 | | |
| 55 | G | 32.1 | Very low | 35.7 | Very low | 69 Ų | 69 | 129.2 Ų | 129.2 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | trans | -136.1 | 174.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 56 | G | 35.3 | Very low | 35.3 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | 84.8 | 134.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 57 | T | 38.2 | Very low | 35 | Very low | 144 Ų | 144 | 130.4 Ų | 130.4 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | cis | -146.3 | 172.8 | 18.7 | 31.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 58 | T | 33.4 | Very low | 35 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | | | trans | -56 | 142.1 | 179.6 | 48.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 59 | A | 35.8 | Very low | 35 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 88% | 0.884 | 80% | 0.804 | S | S | * | * | | | trans | -158 | 144.6 | 135.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 60 | A | 34.1 | Very low | 34.8 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -149.9 | 129.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 61 | V | 35.3 | Very low | 35.3 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | trans | -154.3 | 125.5 | 166 | -135.6 | 0 | 0 | 0 | 0 | 103.7 | | |
| 62 | A | 33.3 | Very low | 35.1 | Very low | 81 Ų | 81 | 130.3 Ų | 130.3 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | | | | 63.7 | 133.7 | 50.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 63 | T | 34.6 | Very low | 35 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | | | cis | -165.4 | 170 | 10.4 | -10.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 64 | V | 36.4 | Very low | 34.9 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | | | trans | 65.7 | 124.9 | 154 | 171.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 65 | A | 33.4 | Very low | 34.4 | Very low | 86 Ų | 86 | 126 Ų | 126 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | cis | 85.1 | 101.8 | 16.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 66 | Q | 33.9 | Very low | 34.5 | Very low | 194 Ų | 194 | 128.9 Ų | 128.9 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | | | trans | -163.9 | 177.2 | 149.4 | -113.4 | 167.1 | 22.2 | 0 | 0 | 113.1 | | |
| 67 | T | 32.1 | Very low | 34.6 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | | | trans | -144.2 | 178.4 | -154.1 | 47.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 68 | Q | 33 | Very low | 34.2 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | | | trans | 81.5 | 150.5 | 171.8 | -49.8 | -172.9 | 6.3 | 0 | 0 | 115.5 | | |
| 69 | T | 28.7 | Very low | 34.1 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 80% | 0.798 | 74% | 0.738 | S | S | * | * | | | cis | -149.6 | 170.4 | 6 | -16.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 70 | Q | 29.6 | Very low | 33.9 | Very low | 178 Ų | 178 | 128.4 Ų | 128.4 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | | | trans | -85.7 | -171.5 | 171.4 | -109.9 | -169.5 | 11.2 | 0 | 0 | 112.6 | | |
| 71 | P | 49.3 | Very low | 33.7 | Very low | 95 Ų | 95 | 128.4 Ų | 128.4 | 62% | 0.617 | 73% | 0.726 | S | S | * | * | | | cis | -128.2 | 170.9 | 3.2 | 30 | -6.6 | 0 | 0 | 0 | 115.4 | | |
| 72 | Q | 30.8 | Very low | 33.5 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | | | | 155.7 | 168 | 105.5 | -94.2 | 176 | -88.8 | 0 | 0 | 107.9 | | |
| 73 | Q | 33.4 | Very low | 33.4 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 66% | 0.659 | 73% | 0.727 | S | S | * | * | | | cis | -173.7 | 174.9 | -25.9 | -112.6 | -175.7 | -47.1 | 0 | 0 | 106.6 | | |
| 74 | Q | 33.5 | Very low | 33.1 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | | | cis | -165.7 | 123.4 | -7.4 | 163.3 | 169.1 | 1.8 | 0 | 0 | 111.3 | | |
| 75 | Q | 35.2 | Very low | 32.6 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 63% | 0.631 | 73% | 0.729 | S | S | * | * | | | trans | 63.2 | 157.6 | 150.2 | -75.7 | 173.3 | -45.1 | 0 | 0 | 121.5 | | |
| 76 | Q | 35.3 | Very low | 32.4 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 61% | 0.607 | 73% | 0.727 | S | S | * | * | | | cis | -152.6 | 140.1 | 2.9 | -145.9 | 145.7 | -16.3 | 0 | 0 | 117.2 | | |
| 77 | H | 36.3 | Very low | 32.1 | Very low | 145 Ų | 145 | 129 Ų | 129 | 67% | 0.671 | 73% | 0.726 | S | S | * | * | | | trans | 61.2 | 159.7 | 143.8 | -79 | -143.8 | 0 | 0 | 0 | 122.1 | | |
| 78 | D | 30.2 | Very low | 32.1 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | | | cis | -146.7 | 167.6 | 4.9 | -137 | -41.8 | 0 | 0 | 0 | 114.6 | | |
| 79 | A | 32.7 | Very low | 32 | Very low | 87 Ų | 87 | 126 Ų | 126 | 72% | 0.719 | 72% | 0.723 | S | S | * | * | | | trans | 22.2 | 152.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 80 | A | 31.6 | Very low | 32.1 | Very low | 90 Ų | 90 | 126.8 Ų | 126.8 | 74% | 0.744 | 72% | 0.722 | S | S | * | * | | | cis | 176.2 | 170.4 | -12 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 81 | S | 29.9 | Very low | 32.4 | Very low | 100 Ų | 100 | 124.8 Ų | 124.8 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | | | cis | -173.2 | 157.4 | -31 | -84.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 82 | T | 30.7 | Very low | 31.6 | Very low | 133 Ų | 133 | 129 Ų | 129 | 82% | 0.816 | 73% | 0.728 | S | S | * | * | | | trans | 65.8 | 150.9 | 160.1 | 48.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 83 | T | 30.2 | Very low | 31.8 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | | | cis | -157.7 | 158.5 | 10.5 | -9.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 84 | T | 28.2 | Very low | 32 | Very low | 126 Ų | 126 | 128.3 Ų | 128.3 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | | | trans | 54.1 | 129.1 | 156.1 | 47.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 85 | C | 26.9 | Very low | 31.9 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | | | cis | 73.1 | 136.8 | 39.8 | -149.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 86 | A | 28.4 | Very low | 32 | Very low | 81 Ų | 81 | 128.9 Ų | 128.9 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | | | cis | -144.6 | 156.2 | 15.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 87 | Q | 28.1 | Very low | 31.9 | Very low | 186 Ų | 186 | 126.3 Ų | 126.3 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | | | | 86.6 | 137 | 76.5 | -168 | 176.3 | -27.3 | 0 | 0 | 117 | | |
| 88 | A | 31.4 | Very low | 31.9 | Very low | 86 Ų | 86 | 126.7 Ų | 126.7 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | | | trans | 76.8 | 104.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 89 | D | 31.1 | Very low | 32.1 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | | | | 39.4 | 117.4 | 110.7 | -156 | -78.5 | 0 | 0 | 0 | 122 | | |
| 90 | N | 31.3 | Very low | 31.9 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | | | trans | -161 | 151.7 | 142.6 | -141.4 | -112.7 | 0 | 0 | 0 | 114.6 | | |
| 91 | D | 35.3 | Very low | 31.8 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | | | trans | -94.4 | 137.4 | -179.9 | -123.9 | -53.9 | 0 | 0 | 0 | 112.6 | | |
| 92 | Q | 33.2 | Very low | 31.9 | Very low | 185 Ų | 185 | 131.3 Ų | 131.3 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | | | trans | -163.3 | 146.2 | 150.8 | -122.2 | 154.8 | 104.4 | 0 | 0 | 115.3 | | |
| 93 | V | 34.9 | Very low | 31.9 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | trans | -110.5 | 129.5 | -175.8 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 94 | Q | 37.3 | Very low | 32.1 | Very low | 165 Ų | 165 | 132.2 Ų | 132.2 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | | | trans | -151.7 | 128.2 | 152.7 | -165 | 58.9 | -40.2 | 0 | 0 | 116.8 | | |
| 95 | N | 32 | Very low | 32.3 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 63% | 0.626 | 78% | 0.78 | S | S | * | * | | | trans | 0.6 | 127 | 158.5 | -85.6 | -77.6 | 0 | 0 | 0 | 124 | | |
| 96 | L | 37.8 | Very low | 32.5 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | | 100.1 | 131.4 | 108.3 | -170.3 | 63.7 | 0 | 0 | 0 | 122.6 | | |
| 97 | A | 31.6 | Very low | 32.6 | Very low | 76 Ų | 76 | 137.7 Ų | 137.7 | 63% | 0.628 | 79% | 0.79 | S | S | * | * | | | trans | 75.5 | 116.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 98 | L | 38 | Very low | 32.7 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | | | | 31.7 | 126.8 | 126.8 | -70.1 | 160.2 | 0 | 0 | 0 | 120.5 | | |
| 99 | H | 33.3 | Very low | 32.8 | Very low | 193 Ų | 193 | 136.4 Ų | 136.4 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | | | | -160.5 | -174.7 | 116 | -106.7 | -67.7 | 0 | 0 | 0 | 111.4 | | |
| 100 | C | 28.1 | Very low | 32.7 | Very low | 113 Ų | 113 | 137 Ų | 137 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | -111.5 | 170.9 | -159.1 | -57.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 101 | A | 30.1 | Very low | 32.9 | Very low | 95 Ų | 95 | 134.5 Ų | 134.5 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | 95.9 | 124.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 102 | S | 32 | Very low | 32.5 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | trans | 17.4 | 114.7 | 139.9 | -47.7 | 0 | 0 | 0 | 0 | 121 | | |
| 103 | N | 31.7 | Very low | 32.4 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | | -177.3 | 147 | 102.5 | -97 | -25.4 | 0 | 0 | 0 | 112.4 | | |
| 104 | A | 33.4 | Very low | 32.4 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | -123.4 | 127.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 105 | K | 32 | Very low | 32.1 | Very low | 203 Ų | 203 | 129.6 Ų | 129.6 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | trans | -84.6 | 145.1 | 179 | -72.9 | -178.6 | 177.1 | 177.7 | 0 | 110.7 | | |
| 106 | A | 31.6 | Very low | 32.3 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -73.4 | 153.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 107 | V | 31.4 | Very low | 31.9 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | | | trans | -112.7 | 131.5 | 163.6 | 174.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 108 | A | 30 | Very low | 31.8 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | -115.2 | 141.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 109 | V | 31.8 | Very low | 31.4 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | | | trans | -104.6 | 132.4 | 171.7 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 110 | K | 29.9 | Very low | 31.1 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 70% | 0.7 | 77% | 0.774 | S | S | * | * | | | trans | -100.2 | 140.7 | -174.6 | -179 | -170.1 | 170.6 | -158.6 | 0 | 110.4 | E112 | K110-E112 WeakPolarHBondContact CE-OE2 3.45Å; K110-E112 IonicContact NZ-OE1 3.92Å; K110-E112 IonicContact NZ-OE2 3.17Å; K110-E112 PolarHBondContact NZ-OE2 2.56Å |
| 111 | A | 36.3 | Very low | 31.1 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | | | trans | -104.6 | 153.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 112 | E | 26 | Very low | 31.3 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | | | trans | -152.9 | 163.4 | 172.8 | -159 | 155.5 | 89.3 | 0 | 0 | 109.6 | K110 | K110-E112 WeakPolarHBondContact CE-OE2 3.45Å; K110-E112 IonicContact NZ-OE1 3.92Å; K110-E112 IonicContact NZ-OE2 3.17Å; K110-E112 PolarHBondContact NZ-OE2 2.56Å |
| 113 | S | 32.1 | Very low | 31.9 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | | | trans | -162.3 | 172.3 | -158.4 | 53.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 114 | V | 34.2 | Very low | 31.9 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | | | trans | 77.4 | 138.4 | 171.3 | -150 | 0 | 0 | 0 | 0 | 112.3 | | |
| 115 | E | 29.7 | Very low | 31.5 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 57% | 0.57 | 78% | 0.784 | S | S | * | * | | | | -176.2 | 138.7 | 55.6 | -178 | 135.1 | 118.2 | 0 | 0 | 116.3 | | |
| 116 | R | 37 | Very low | 31.5 | Very low | 207 Ų | 207 | 134 Ų | 134 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | | | trans | 55.1 | 160.5 | 145.7 | -75 | 166.4 | -160.9 | 151 | 5.9 | 121.4 | | |
| 117 | K | 30.2 | Very low | 31.4 | Very low | 170 Ų | 170 | 136 Ų | 136 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | | | cis | -173.4 | 152.1 | -8.8 | 155.8 | 177.7 | 174.2 | -172.3 | 0 | 113.6 | | |
| 118 | D | 29.6 | Very low | 31.3 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | | | trans | 84.5 | 151.5 | 155.5 | -104.6 | -57.2 | 0 | 0 | 0 | 126.7 | | |
| 119 | A | 28.1 | Very low | 31.4 | Very low | 99 Ų | 99 | 138 Ų | 138 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | 56.6 | 145 | 165.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 120 | G | 27.6 | Very low | 31.3 | Very low | 69 Ų | 69 | 138.1 Ų | 138.1 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | cis | 172 | 167.9 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 121 | S | 27.6 | Very low | 31.3 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 90% | 0.902 | 74% | 0.74 | S | S | * | * | | | trans | 72.2 | 128.1 | 166.5 | -58 | 0 | 0 | 0 | 0 | 121.7 | | |
| 122 | F | 34.1 | Very low | 30.9 | Very low | 203 Ų | 203 | 140.6 Ų | 140.6 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | | | trans | -84.7 | 165.5 | 153.2 | -84.9 | -92.3 | 0 | 0 | 0 | 110.4 | | |
| 123 | P | 46.4 | Very low | 30.9 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | | | | -140 | 176.1 | 103.3 | 38.1 | -25.2 | 0 | 0 | 0 | 115.9 | | |
| 124 | L | 30.8 | Very low | 30.8 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | | | trans | -98.5 | 144.4 | -174.6 | 167 | 74.4 | 0 | 0 | 0 | 112.4 | | |
| 125 | T | 25.5 | Very low | 30.6 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | | | trans | 167.6 | 159.8 | 148.8 | 36.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 126 | Q | 30.8 | Very low | 31 | Very low | 149 Ų | 149 | 143 Ų | 143 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | | | cis | -177.6 | 138.7 | -20.8 | 172.5 | 178.8 | 40.4 | 0 | 0 | 109.9 | | |
| 127 | Q | 30 | Very low | 31.2 | Very low | 142 Ų | 142 | 140 Ų | 140 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | | | trans | 61.7 | 173.2 | 160.9 | -77.6 | 177.2 | -59.4 | 0 | 0 | 117.8 | | |
| 128 | Q | 29.3 | Very low | 31.1 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 65% | 0.645 | 74% | 0.74 | S | S | * | * | | | cis | -167.4 | 169.5 | -33.9 | -159.2 | 164.1 | -81 | 0 | 0 | 104.8 | | |
| 129 | Q | 31.6 | Very low | 31.5 | Very low | 141 Ų | 141 | 136 Ų | 136 | 66% | 0.659 | 74% | 0.738 | S | S | * | * | | | cis | -148.8 | -130.4 | 21.7 | -168.6 | 139.5 | -10.4 | 0 | 0 | 113.2 | | |
| 130 | Q | 31.2 | Very low | 31.8 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | | | trans | -112.9 | -175.4 | -176.2 | -59.4 | 138.5 | -59.8 | 0 | 0 | 108.6 | | |
| 131 | T | 28.6 | Very low | 32 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | | | cis | -170.1 | 145.4 | 38.1 | 29.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 132 | F | 29.5 | Very low | 32 | Very low | 198 Ų | 198 | 138.6 Ų | 138.6 | 87% | 0.868 | 73% | 0.73 | S | S | * | * | | | trans | 60.6 | 165.9 | 150.6 | -76.3 | -120 | 0 | 0 | 0 | 117.1 | | |
| 133 | S | 24.2 | Very low | 31.7 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | | | cis | -167.5 | -179.8 | -26.9 | 60.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 134 | Q | 30.4 | Very low | 30.9 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | | | cis | -154.9 | 143.2 | 6.1 | -170.9 | 167.3 | -84.3 | 0 | 0 | 112.7 | | |
| 135 | Q | 30.8 | Very low | 31 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | | | trans | 0.4 | 125.1 | 140.6 | -140.1 | 159.1 | -8.5 | 0 | 0 | 119.2 | | |
| 136 | Q | 37.8 | Very low | 31.6 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 66% | 0.659 | 72% | 0.72 | S | S | * | * | | | | 75.7 | 161.6 | 83.2 | -120.9 | -176.6 | 14.3 | 0 | 0 | 113.3 | | |
| 137 | Q | 40.8 | Very low | 31.5 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | | | cis | -165.7 | 169.6 | 3.9 | -160.3 | 165.3 | 32.1 | 0 | 0 | 110.4 | | |
| 138 | M | 29.1 | Very low | 31.4 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 69% | 0.685 | 72% | 0.721 | S | S | * | * | | | | 170.4 | 134.3 | 129.1 | -79 | -96.9 | -175.3 | 0 | 0 | 107.5 | | |
| 139 | A | 36.4 | Very low | 31.3 | Very low | 80 Ų | 80 | 132 Ų | 132 | 66% | 0.661 | 73% | 0.728 | S | S | * | * | | | cis | 84.1 | 150.1 | 44.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 140 | K | 35 | Very low | 31.1 | Very low | 192 Ų | 192 | 130.7 Ų | 130.7 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | | | cis | -164.1 | 150.2 | 17.9 | -154.8 | 173.6 | -175.1 | 174.1 | 0 | 112.5 | | |
| 141 | A | 32.8 | Very low | 30.7 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | | | trans | 49.9 | 159.8 | 152 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 142 | G | 26 | Very low | 30.7 | Very low | 60 Ų | 60 | 130.7 Ų | 130.7 | 62% | 0.619 | 74% | 0.738 | S | S | * | * | | | cis | 145.8 | 132.8 | -13.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 143 | F | 29.8 | Very low | 30.5 | Very low | 200 Ų | 200 | 126.6 Ų | 126.6 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | | | trans | 64.5 | 162.5 | 174 | -72.7 | -89.8 | 0 | 0 | 0 | 115.9 | | |
| 144 | N | 27.9 | Very low | 30.7 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | | | cis | -144.7 | 172.2 | 8.4 | -144.3 | -29 | 0 | 0 | 0 | 112.9 | | |
| 145 | Q | 34.3 | Very low | 30.7 | Very low | 144 Ų | 144 | 129 Ų | 129 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | | | trans | -91.2 | 163.4 | 176 | -151.8 | -158.9 | 88.1 | 0 | 0 | 112.4 | S147 | Q145-S147 PolarHBondContact OE1-OG 2.93Š|
| 146 | P | 37.5 | Very low | 30.6 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | | | trans | -137.5 | 179.4 | 130.1 | 39.3 | -28 | 0 | 0 | 0 | 113.9 | | |
| 147 | S | 27.8 | Very low | 30.2 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | | | trans | -136.1 | 174.9 | -157.7 | -34.1 | 0 | 0 | 0 | 0 | 114.7 | Q145 | Q145-S147 PolarHBondContact OE1-OG 2.93Š|
| 148 | A | 28.7 | Very low | 30 | Very low | 85 Ų | 85 | 123.4 Ų | 123.4 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | | | trans | 89 | 111.9 | 147.4 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 149 | S | 26.9 | Very low | 30.3 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | | | | 80.8 | 146.7 | 125.4 | -58.9 | 0 | 0 | 0 | 0 | 123 | | |
| 150 | S | 27.6 | Very low | 30.1 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | | | trans | 75.9 | 154.6 | 155.3 | -80.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 151 | T | 23.8 | Very low | 29.9 | Very low | 107 Ų | 107 | 119.7 Ų | 119.7 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | | | cis | -176.7 | 150.1 | -18.2 | -94.1 | 0 | 0 | 0 | 0 | 109 | | |
| 152 | L | 28.6 | Very low | 30.1 | Very low | 152 Ų | 152 | 122.8 Ų | 122.8 | 80% | 0.796 | 74% | 0.737 | S | S | * | * | | | trans | 63.2 | 163.9 | 171.6 | -71.4 | 167.2 | 0 | 0 | 0 | 116.5 | | |
| 153 | T | 25.2 | Very low | 30.4 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 68% | 0.681 | 74% | 0.743 | S | S | * | * | | | cis | -166.7 | -179 | -44.4 | 26.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 154 | V | 28.2 | Very low | 30.7 | Very low | 139 Ų | 139 | 122.3 Ų | 122.3 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | | | trans | 82.7 | 145.7 | 160.3 | -175.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 155 | K | 29.5 | Very low | 30.8 | Very low | 178 Ų | 178 | 119.4 Ų | 119.4 | 77% | 0.774 | 73% | 0.734 | S | S | * | * | | | cis | -175.8 | 161.9 | -33.8 | -169.4 | 179.9 | 173.2 | -177.9 | 0 | 107.9 | | |
| 156 | T | 28.7 | Very low | 31.7 | Very low | 120 Ų | 120 | 118.3 Ų | 118.3 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | | | trans | 83 | 134.8 | 159.4 | -38.3 | 0 | 0 | 0 | 0 | 115.5 | | |
| 157 | G | 29.1 | Very low | 31.5 | Very low | 60 Ų | 60 | 117 Ų | 117 | 62% | 0.619 | 74% | 0.739 | S | S | * | * | | | cis | 139.2 | 145.1 | -12.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 158 | N | 36.6 | Very low | 31.7 | Very low | 138 Ų | 138 | 119.4 Ų | 119.4 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | | | trans | 172.9 | 114 | 147 | -90.1 | -17.3 | 0 | 0 | 0 | 109.8 | | |
| 159 | Q | 35.3 | Very low | 32 | Very low | 171 Ų | 171 | 120.7 Ų | 120.7 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | | | | 92.1 | 133.7 | 95.6 | -78 | -166.9 | 95.2 | 0 | 0 | 113.1 | | |
| 160 | A | 32.6 | Very low | 32.4 | Very low | 90 Ų | 90 | 122.5 Ų | 122.5 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | | | cis | -156.8 | -170.6 | -7.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 161 | A | 31.8 | Very low | 32.6 | Very low | 73 Ų | 73 | 121.1 Ų | 121.1 | 60% | 0.603 | 75% | 0.754 | S | S | * | * | | | cis | -158.8 | 178.8 | 8.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 162 | M | 37.4 | Very low | 33.7 | Very low | 164 Ų | 164 | 121.3 Ų | 121.3 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | | | trans | 69.6 | 152.9 | 170.2 | -39.4 | -52.9 | -175.9 | 0 | 0 | 115.5 | | |
| 163 | T | 31.7 | Very low | 33.8 | Very low | 121 Ų | 121 | 119 Ų | 119 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | | | cis | 77.5 | 153.1 | 8.6 | -15.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 164 | V | 34.7 | Very low | 34.1 | Very low | 128 Ų | 128 | 118.9 Ų | 118.9 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | cis | -134.6 | 129.8 | 5.9 | -157.7 | 0 | 0 | 0 | 0 | 106.4 | | |
| 165 | A | 31.1 | Very low | 34.2 | Very low | 82 Ų | 82 | 117.5 Ų | 117.5 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | | 70 | 158.5 | 50.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 166 | P | 53.9 | Low | 34.3 | Very low | 121 Ų | 121 | 114.5 Ų | 114.5 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | | | cis | -106.5 | 169.6 | -6.5 | 39.2 | -27.2 | 0 | 0 | 0 | 112.7 | | |
| 167 | A | 32.4 | Very low | 34.4 | Very low | 94 Ų | 94 | 114.1 Ų | 114.1 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | | | cis | 86.9 | 122.4 | 32.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 168 | V | 31.7 | Very low | 34.8 | Very low | 148 Ų | 148 | 116.6 Ų | 116.6 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | | | trans | -179 | 163.4 | 151.6 | 143.2 | 0 | 0 | 0 | 0 | 109 | | |
| 169 | S | 35.2 | Very low | 35.6 | Very low | 111 Ų | 111 | 116 Ų | 116 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | -123.9 | -170.5 | -170.9 | -50.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 170 | V | 35 | Very low | 35.4 | Very low | 150 Ų | 150 | 112 Ų | 112 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | | | trans | 99.6 | 145.2 | 166.3 | -173.6 | 0 | 0 | 0 | 0 | 116.5 | | |
| 171 | A | 31.4 | Very low | 35.7 | Very low | 85 Ų | 85 | 115.6 Ų | 115.6 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | | | trans | -125.3 | 171.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 172 | P | 48.6 | Very low | 36.9 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | cis | -153.9 | -166 | 37.3 | 44.6 | -21.6 | 0 | 0 | 0 | 117.7 | | |
| 173 | S | 29.4 | Very low | 36.7 | Very low | 103 Ų | 103 | 117 Ų | 117 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | trans | 64.6 | 115.3 | 145.9 | -60.9 | 0 | 0 | 0 | 0 | 124.2 | | |
| 174 | S | 30.9 | Very low | 36.9 | Very low | 109 Ų | 109 | 115.2 Ų | 115.2 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | | 81.2 | 118.3 | 125.5 | -58.5 | 0 | 0 | 0 | 0 | 124.9 | | |
| 175 | S | 31.2 | Very low | 36.9 | Very low | 110 Ų | 110 | 117.5 Ų | 117.5 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | | 93.8 | 146.2 | 128.7 | 76.7 | 0 | 0 | 0 | 0 | 123.4 | | |
| 176 | S | 31.6 | Very low | 37.1 | Very low | 114 Ų | 114 | 120 Ų | 120 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | trans | 68.8 | 147.7 | 169.9 | 72.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 177 | S | 31.5 | Very low | 36.2 | Very low | 113 Ų | 113 | 121 Ų | 121 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | cis | -162.5 | 150.8 | -15.9 | 44.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 178 | S | 35.8 | Very low | 36.2 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -80 | 168.7 | 175.7 | -46.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 179 | P | 53.5 | Low | 36.4 | Very low | 126 Ų | 126 | 120.7 Ų | 120.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | | -125.2 | -162.9 | 86.3 | 42.4 | -35.5 | 0 | 0 | 0 | 111.1 | | |
| 180 | A | 31.4 | Very low | 37.2 | Very low | 87 Ų | 87 | 120.9 Ų | 120.9 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | | | cis | -153.4 | 176.4 | 7.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 181 | L | 40.5 | Very low | 37 | Very low | 166 Ų | 166 | 119.7 Ų | 119.7 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | | | trans | -140.9 | 159.6 | 163.5 | -70 | 176.2 | 0 | 0 | 0 | 109.4 | | |
| 182 | P | 55.8 | Low | 37 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | | | | -147.1 | 160.9 | 114 | 37.4 | -22.2 | 0 | 0 | 0 | 113.7 | | |
| 183 | L | 34.4 | Very low | 37.2 | Very low | 148 Ų | 148 | 120.8 Ų | 120.8 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | | | cis | -160 | 154.3 | -12.8 | -142.1 | 78.3 | 0 | 0 | 0 | 109.3 | | |
| 184 | S | 35.9 | Very low | 37.5 | Very low | 84 Ų | 84 | 121.5 Ų | 121.5 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | | | trans | 53.6 | 151.6 | 143.3 | -69.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 185 | Q | 34.7 | Very low | 37.6 | Very low | 176 Ų | 176 | 123.3 Ų | 123.3 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | cis | -159.2 | 169.7 | 5.7 | -127.8 | 163.2 | 53.7 | 0 | 0 | 111.8 | | |
| 186 | L | 35.3 | Very low | 37.6 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | | | | -168.4 | 104.8 | -60.8 | -171.4 | 73.5 | 0 | 0 | 0 | 112.1 | | |
| 187 | L | 34.1 | Very low | 37.9 | Very low | 143 Ų | 143 | 126.1 Ų | 126.1 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | trans | 57.8 | -177.6 | 151.9 | -47.5 | 174.3 | 0 | 0 | 0 | 117.4 | | |
| 188 | L | 32.9 | Very low | 38.8 | Very low | 155 Ų | 155 | 125.8 Ų | 125.8 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | | | cis | -150.2 | 175.2 | -16.9 | -150.8 | 64.4 | 0 | 0 | 0 | 110 | | |
| 189 | A | 34.8 | Very low | 38.8 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | | | trans | -95.5 | -169.2 | 165 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 190 | P | 52 | Low | 38 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | | | cis | -144.4 | -163.5 | 2.4 | 44.6 | -24 | 0 | 0 | 0 | 116.9 | | |
| 191 | S | 31.4 | Very low | 38.2 | Very low | 125 Ų | 125 | 128 Ų | 128 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | | | trans | 91.2 | 171.5 | 152.2 | 77.3 | 0 | 0 | 0 | 0 | 121.8 | | |
| 192 | S | 31.5 | Very low | 37.9 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | | | trans | -126.1 | -176 | -162.6 | -146.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 193 | P | 53.6 | Low | 36.7 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | cis | -147.2 | -158.1 | 14.1 | 36.4 | -9.6 | 0 | 0 | 0 | 117.2 | | |
| 194 | V | 33.9 | Very low | 36.7 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | | | trans | 113.7 | 102.8 | 152.8 | -173.6 | 0 | 0 | 0 | 0 | 120 | | |
| 195 | I | 33.2 | Very low | 36.4 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | 40.9 | 121.9 | 133.5 | -52.8 | 172.6 | 0 | 0 | 0 | 121.5 | | |
| 196 | L | 32.8 | Very low | 36.3 | Very low | 164 Ų | 164 | 123.9 Ų | 123.9 | 86% | 0.859 | 75% | 0.753 | S | S | * | * | | | | -164.2 | 159.1 | 118.9 | -106.2 | 174.2 | 0 | 0 | 0 | 113 | | |
| 197 | V | 36.1 | Very low | 36.3 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | | | trans | -148.3 | 134.5 | -169.3 | 161.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 198 | P | 50.6 | Low | 36 | Very low | 107 Ų | 107 | 123.8 Ų | 123.8 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | | -157.6 | 137.1 | 102.2 | 38.7 | -18.1 | 0 | 0 | 0 | 119 | | |
| 199 | T | 36.8 | Very low | 36.2 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | | | trans | 56.3 | 158.6 | 137.1 | 68.5 | 0 | 0 | 0 | 0 | 121 | | |
| 200 | S | 36.8 | Very low | 37 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | | | cis | -153.9 | 148.8 | 19.7 | 54.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 201 | N | 35.6 | Very low | 36.1 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | 46.4 | 118.4 | 138.7 | -62.6 | 12.4 | 0 | 0 | 0 | 121.5 | | |
| 202 | V | 33.1 | Very low | 36.1 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | | 73.9 | 122.5 | 71.6 | 169 | 0 | 0 | 0 | 0 | 112.3 | | |
| 203 | T | 32.1 | Very low | 36.2 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | | -148.8 | -149.6 | 91.8 | -44.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 204 | T | 33.2 | Very low | 35.2 | Very low | 124 Ų | 124 | 130 Ų | 130 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | | | trans | -160.4 | 178.6 | -151.4 | 55.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 205 | S | 29.9 | Very low | 35.2 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | 122.5 | 173.9 | 139.7 | -150.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 206 | T | 32.8 | Very low | 36.1 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -150.5 | 149.5 | -150.9 | -54.7 | 0 | 0 | 0 | 0 | 113 | | |
| 207 | Q | 35.4 | Very low | 36.1 | Very low | 197 Ų | 197 | 129.4 Ų | 129.4 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | | | trans | 63.8 | 142.1 | 165.8 | -87.6 | 175.2 | -23.7 | 0 | 0 | 119.7 | | |
| 208 | G | 28.6 | Very low | 35.7 | Very low | 78 Ų | 78 | 128.6 Ų | 128.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | 157.2 | 98.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 209 | Y | 35.2 | Very low | 34.6 | Very low | 230 Ų | 230 | 128.5 Ų | 128.5 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | | | trans | -84.1 | 170.2 | 155.9 | -87.9 | -76.5 | 0 | 0 | 0 | 108.9 | | |
| 210 | P | 52.8 | Low | 34.5 | Very low | 102 Ų | 102 | 131.5 Ų | 131.5 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | | | cis | -162.8 | -169.6 | 45.7 | 48 | -25 | 0 | 0 | 0 | 119.8 | | |
| 211 | I | 33.1 | Very low | 34.4 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | trans | 62.9 | 139.8 | 162.4 | -53.8 | 172.2 | 0 | 0 | 0 | 116.9 | | |
| 212 | G | 31.5 | Very low | 34.7 | Very low | 70 Ų | 70 | 131.8 Ų | 131.8 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | | | cis | 147.1 | 125.9 | -4.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 213 | S | 32.4 | Very low | 34.8 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | | | trans | -151.4 | 171.6 | -178.9 | -167.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 214 | V | 32.9 | Very low | 34.9 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | | | trans | -146.7 | 132.9 | -154 | 177.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 215 | A | 34.7 | Very low | 34.8 | Very low | 89 Ų | 89 | 135.1 Ų | 135.1 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | | | trans | 70.7 | 166.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 216 | P | 51.2 | Low | 34.8 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | cis | -125.2 | -171.3 | 4.5 | 43.1 | -27.9 | 0 | 0 | 0 | 116.7 | | |
| 217 | K | 32.5 | Very low | 34.6 | Very low | 196 Ų | 196 | 135.6 Ų | 135.6 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | | | trans | -112.2 | 139 | -168.1 | 166.1 | -170.1 | 179 | -176.8 | 0 | 110.6 | | |
| 218 | A | 29.7 | Very low | 34.6 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -144.9 | 135.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 219 | S | 26.8 | Very low | 35.5 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -147.6 | 119.1 | 170.9 | 59.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 220 | M | 35.1 | Very low | 35.1 | Very low | 194 Ų | 194 | 130.8 Ų | 130.8 | 96% | 0.956 | 78% | 0.776 | S | S | * | * | | | trans | -159.9 | 150.4 | 163.9 | 47.4 | -159.4 | -177.9 | 0 | 0 | 111.7 | | |
| 221 | N | 33 | Very low | 34.1 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 65% | 0.647 | 77% | 0.772 | S | S | * | * | | | trans | -128.8 | 130.5 | -170.1 | 167.8 | 2.2 | 0 | 0 | 0 | 107.9 | Q223 | N221-Q223 PolarHBondContact OD1-N 2.84Š|
| 222 | P | 42.8 | Very low | 34.1 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | | | trans | -88.2 | 101.4 | 165.1 | 33.4 | -27.6 | 0 | 0 | 0 | 111 | | |
| 223 | Q | 36.3 | Very low | 34.1 | Very low | 160 Ų | 160 | 132.7 Ų | 132.7 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | -74.3 | 180 | 165.4 | -63.4 | -179.6 | -24.6 | 0 | 0 | 111.3 | N221 | N221-Q223 PolarHBondContact OD1-N 2.84Š|
| 224 | T | 33 | Very low | 34.1 | Very low | 133 Ų | 133 | 134 Ų | 134 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | | | trans | 104.1 | 124.1 | 168.1 | -51.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 225 | L | 31.9 | Very low | 34.3 | Very low | 152 Ų | 152 | 131.7 Ų | 131.7 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | | | cis | -165.8 | 178.8 | -4.1 | -122.3 | -176.6 | 0 | 0 | 0 | 112.1 | | |
| 226 | V | 30.3 | Very low | 34.1 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | trans | 84.7 | 102.8 | 147 | 161.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 227 | V | 28.6 | Very low | 33.4 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | | 69.2 | 116.6 | 124.5 | -178.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 228 | Q | 35.3 | Very low | 33.3 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | | | | 6.9 | 157.5 | 126.5 | -124 | 62.4 | 91.5 | 0 | 0 | 118.4 | | |
| 229 | P | 46.1 | Very low | 33.3 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 66% | 0.662 | 74% | 0.744 | S | S | * | * | | | cis | -157.8 | -173.7 | 26.2 | 45 | -21.8 | 0 | 0 | 0 | 119.9 | | |
| 230 | L | 26.6 | Very low | 33.6 | Very low | 133 Ų | 133 | 134 Ų | 134 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | | | trans | 80.4 | 150.1 | 135.4 | -143.3 | 60.3 | 0 | 0 | 0 | 123.8 | | |
| 231 | Q | 32.4 | Very low | 34.6 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 58% | 0.579 | 73% | 0.73 | S | S | * | * | | | trans | 48.3 | 117.5 | 156.9 | -93.6 | 47.7 | 118.3 | 0 | 0 | 119.7 | | |
| 232 | Q | 33.1 | Very low | 34.6 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | | | | 79.7 | 121.5 | 59.9 | -77.2 | -178.9 | -12.9 | 0 | 0 | 116.5 | | |
| 233 | A | 32.3 | Very low | 35.2 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | | | | -175.1 | 142.1 | 123.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 234 | N | 32.6 | Very low | 35.1 | Very low | 156 Ų | 156 | 130 Ų | 130 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | | | cis | 71.2 | 142.7 | 29.9 | -76.7 | 5.4 | 0 | 0 | 0 | 115.1 | | |
| 235 | A | 37.1 | Very low | 35.2 | Very low | 80 Ų | 80 | 130.4 Ų | 130.4 | 66% | 0.661 | 73% | 0.728 | S | S | * | * | | | cis | -152 | -179.4 | -8.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 236 | N | 29.1 | Very low | 36 | Very low | 145 Ų | 145 | 128.5 Ų | 128.5 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | | | | -166.5 | 125.2 | 91 | -133.4 | 0.3 | 0 | 0 | 0 | 107.9 | | |
| 237 | M | 36 | Very low | 36.2 | Very low | 152 Ų | 152 | 131 Ų | 131 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | | | | 64.8 | 140.8 | 74.4 | -129.9 | 103.2 | 73.2 | 0 | 0 | 113.7 | | |
| 238 | E | 32.1 | Very low | 36.7 | Very low | 143 Ų | 143 | 130.9 Ų | 130.9 | 67% | 0.668 | 73% | 0.727 | S | S | * | * | | | cis | -140.9 | -163.6 | 7.9 | -146 | -146.8 | 151.6 | 0 | 0 | 108.3 | | |
| 239 | K | 29.8 | Very low | 36.9 | Very low | 167 Ų | 167 | 126.3 Ų | 126.3 | 73% | 0.726 | 72% | 0.718 | S | S | * | * | | | cis | -161.2 | 148.2 | 9.3 | -179 | 165.7 | -148.5 | 72.8 | 0 | 111 | | |
| 240 | G | 32.5 | Very low | 36.5 | Very low | 64 Ų | 64 | 129.6 Ų | 129.6 | 66% | 0.66 | 72% | 0.724 | S | S | * | * | | | trans | 114.8 | 150.7 | 144.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 241 | P | 55.3 | Low | 36.8 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 75% | 0.747 | 72% | 0.72 | S | S | * | * | | | trans | -139.2 | 151.6 | -154.1 | 40.1 | -19.9 | 0 | 0 | 0 | 119.3 | | |
| 242 | V | 34.2 | Very low | 37.1 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | | | trans | 65.3 | 154.1 | 134.3 | 171.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 243 | P | 55.3 | Low | 37.3 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | | | cis | -123.6 | -176.2 | -23.7 | 27.7 | -5.9 | 0 | 0 | 0 | 114.4 | | |
| 244 | I | 33 | Very low | 37.5 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | | | | 157.3 | 143.1 | 124.8 | -80.3 | 166.6 | 0 | 0 | 0 | 112.1 | | |
| 245 | Q | 35 | Very low | 38.3 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | | | trans | -125 | 154.7 | 175.4 | -142.2 | -171.7 | 67.3 | 0 | 0 | 109.1 | | |
| 246 | P | 48.7 | Very low | 38.3 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | | -138.2 | 168.9 | 83.1 | 31.6 | -11.2 | 0 | 0 | 0 | 113 | | |
| 247 | K | 36 | Very low | 38.7 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | | | cis | 68.3 | 140.5 | 44.4 | -92.8 | -178 | 179.9 | 176.3 | 0 | 113 | | |
| 248 | T | 39.3 | Very low | 38.7 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | | | cis | -152.5 | 179.6 | 3.7 | -18.4 | 0 | 0 | 0 | 0 | 107 | | |
| 249 | A | 39.3 | Very low | 39 | Very low | 72 Ų | 72 | 136.4 Ų | 136.4 | 60% | 0.595 | 76% | 0.756 | S | S | * | * | | | cis | -153.7 | 155.5 | 6.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 250 | Q | 36.6 | Very low | 39.9 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | | 65.9 | 143.9 | 97.1 | -62.5 | -177.6 | -13.8 | 0 | 0 | 118.1 | | |
| 251 | G | 34.1 | Very low | 40.2 | Very low | 59 Ų | 59 | 143.5 Ų | 143.5 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | | | cis | 157 | 171 | -7.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 252 | H | 38.3 | Very low | 39.8 | Very low | 178 Ų | 178 | 146.7 Ų | 146.7 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | 74.2 | 142.9 | 175.6 | -44.8 | -77.7 | 0 | 0 | 0 | 116.2 | | |
| 253 | R | 37.7 | Very low | 40.5 | Very low | 241 Ų | 241 | 145.7 Ų | 145.7 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | | | cis | -149.7 | 153.9 | -2.1 | -157.4 | -173.1 | 175.7 | 178 | -2.3 | 111.3 | | |
| 254 | L | 35.9 | Very low | 40.5 | Very low | 153 Ų | 153 | 146.6 Ų | 146.6 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | | | trans | -80.3 | 177.2 | 167.2 | -63.7 | 173.5 | 0 | 0 | 0 | 111.6 | | |
| 255 | P | 49.7 | Very low | 41.4 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | | | cis | -137 | 175.8 | 4.9 | 41.4 | -23.9 | 0 | 0 | 0 | 116.4 | | |
| 256 | V | 36.1 | Very low | 41.8 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | | | | -179.2 | 152.1 | 121.2 | 147.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 257 | Q | 37.3 | Very low | 41.2 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | -105.6 | 143.1 | -172.7 | 161.9 | -172.9 | -12.6 | 0 | 0 | 111.1 | | |
| 258 | L | 36.2 | Very low | 41.7 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | | | trans | -174.7 | 164.3 | 142.3 | -102.3 | 167.5 | 0 | 0 | 0 | 112.1 | | |
| 259 | S | 39.4 | Very low | 41.7 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | | | trans | -98.8 | 162.3 | -161.5 | -56.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 260 | P | 48.4 | Very low | 42.1 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | | | trans | -81.9 | 163.4 | -169.2 | 34 | -37.2 | 0 | 0 | 0 | 113.9 | | |
| 261 | R | 38.1 | Very low | 42.8 | Very low | 253 Ų | 253 | 144.7 Ų | 144.7 | 96% | 0.955 | 81% | 0.809 | S | S | * | * | | | trans | -139.5 | 143.9 | 166.9 | -128.5 | -177.3 | -178.9 | -144.6 | -5.2 | 114.3 | | |
| 262 | Q | 47.1 | Very low | 42.9 | Very low | 181 Ų | 181 | 147.5 Ų | 147.5 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 167 | -178.6 | -85.6 | 171 | -35.7 | 0 | 0 | 112.6 | | |
| 263 | P | 50.1 | Low | 42.7 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 74% | 0.74 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 161.9 | -173 | 29.2 | -37.7 | 0 | 0 | 0 | 114.6 | | |
| 264 | P | 54.8 | Low | 42.6 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 141.2 | 179.9 | 32.3 | -34.8 | 0 | 0 | 0 | 113.5 | | |
| 265 | P | 50.6 | Low | 42.5 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | | | trans | -90.4 | -176.9 | 168.5 | 37.4 | -35.1 | 0 | 0 | 0 | 112.9 | | |
| 266 | I | 43.4 | Very low | 41.8 | Very low | 153 Ų | 153 | 140 Ų | 140 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -109 | 166.9 | -174.7 | -55.8 | 171.3 | 0 | 0 | 0 | 110.3 | | |
| 267 | L | 36.9 | Very low | 41.7 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | | | trans | 84.5 | 161.9 | 171.8 | -50.2 | 174.6 | 0 | 0 | 0 | 116.2 | | |
| 268 | P | 45.8 | Very low | 41.5 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | cis | -126.8 | -166.4 | -23.3 | 28.6 | -6.3 | 0 | 0 | 0 | 112.9 | | |
| 269 | A | 39 | Very low | 41.3 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | -107.5 | 147.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 270 | P | 47.7 | Very low | 41 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | | | trans | -107.9 | 175.2 | 167.4 | 3 | 20.4 | 0 | 0 | 0 | 114.9 | | |
| 271 | P | 52.7 | Low | 40.6 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | | | trans | -112.7 | -169.8 | -152.3 | 43.3 | -37.7 | 0 | 0 | 0 | 118.7 | | |
| 272 | S | 34.7 | Very low | 40.8 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | -92.1 | 155.8 | -158.5 | -25.7 | 0 | 0 | 0 | 0 | 119 | | |
| 273 | N | 34.7 | Very low | 40.9 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | | -177 | 161.9 | 124.6 | -128.5 | -15.1 | 0 | 0 | 0 | 109.3 | | |
| 274 | S | 35.6 | Very low | 40.7 | Very low | 82 Ų | 82 | 127.5 Ų | 127.5 | 57% | 0.573 | 81% | 0.807 | S | S | * | * | | | cis | -165 | 154.8 | 9.2 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 275 | Q | 34.8 | Very low | 40 | Very low | 194 Ų | 194 | 129.8 Ų | 129.8 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | | | trans | 64.6 | 147.2 | 161 | -72.1 | 179.5 | -19.8 | 0 | 0 | 117.6 | | |
| 276 | A | 34.3 | Very low | 39.9 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | | | cis | -153.7 | 161.1 | 8.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 277 | N | 33.7 | Very low | 40.1 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | | | trans | 57.4 | 118.2 | 144.8 | -139.7 | 31.5 | 0 | 0 | 0 | 124.1 | | |
| 278 | A | 34.1 | Very low | 40.1 | Very low | 87 Ų | 87 | 126.7 Ų | 126.7 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | | | trans | 43.7 | 109.9 | 137 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 279 | G | 31.4 | Very low | 39.6 | Very low | 85 Ų | 85 | 128.1 Ų | 128.1 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | | | | 102.5 | 151.1 | 123.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 280 | G | 33.5 | Very low | 39.6 | Very low | 78 Ų | 78 | 130.4 Ų | 130.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | 97.6 | 107.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 281 | H | 39.1 | Very low | 39.1 | Very low | 194 Ų | 194 | 130.9 Ų | 130.9 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | | | trans | -78.2 | 123.7 | 161.1 | -84.3 | -98.7 | 0 | 0 | 0 | 110.2 | | |
| 282 | N | 42.3 | Very low | 38.2 | Very low | 152 Ų | 152 | 128 Ų | 128 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | trans | -170.5 | 133.8 | 149.1 | -115.4 | -84.6 | 0 | 0 | 0 | 111.4 | | |
| 283 | P | 49.3 | Very low | 38.2 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 119.8 | 164.7 | 33.1 | -27.3 | 0 | 0 | 0 | 110.9 | | |
| 284 | P | 47.2 | Very low | 38.5 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 160.6 | 176.7 | 31.9 | -34.4 | 0 | 0 | 0 | 113.3 | | |
| 285 | H | 38.7 | Very low | 38.5 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 160.8 | -171.1 | 177.7 | -85.1 | 0 | 0 | 0 | 114.5 | | |
| 286 | I | 48.1 | Very low | 38.3 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 61% | 0.605 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -52 | 150.9 | 173.9 | -60.5 | 151 | 0 | 0 | 0 | 113.8 | V288 | I286-V288 HydrophobicContact CG2-CG2 3.88Š|
| 287 | P | 48.5 | Very low | 38.3 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | trans | -114.4 | 117.8 | 151.7 | 34.2 | -23.8 | 0 | 0 | 0 | 112.7 | | |
| 288 | V | 36.8 | Very low | 38.1 | Very low | 134 Ų | 134 | 128.1 Ų | 128.1 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | trans | -128 | 124.2 | 160.4 | 174.2 | 0 | 0 | 0 | 0 | 106.5 | I286 | I286-V288 HydrophobicContact CG2-CG2 3.88Š|
| 289 | Q | 36.5 | Very low | 37.8 | Very low | 157 Ų | 157 | 127 Ų | 127 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | trans | -128 | 93.8 | -151.2 | -172.8 | 74.9 | -8 | 0 | 0 | 114 | | |
| 290 | L | 37.9 | Very low | 37.8 | Very low | 144 Ų | 144 | 131 Ų | 131 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | trans | 62.3 | 163.8 | 162.7 | -71.4 | 86.7 | 0 | 0 | 0 | 116.6 | | |
| 291 | V | 36.9 | Very low | 37.7 | Very low | 132 Ų | 132 | 131 Ų | 131 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | | | cis | -128.8 | 158.7 | 13.6 | 176.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 292 | G | 33.5 | Very low | 37.3 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | cis | 118.5 | 166.5 | 15.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 293 | A | 35.7 | Very low | 36.6 | Very low | 85 Ų | 85 | 126.7 Ų | 126.7 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | | | cis | -167.6 | 176.6 | -0.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 294 | R | 40.2 | Very low | 35.5 | Very low | 210 Ų | 210 | 128 Ų | 128 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | | | trans | 82.9 | 145.2 | 161.6 | -58 | 177.7 | 179.4 | -96 | -2.5 | 118.1 | | |
| 295 | Q | 36.2 | Very low | 34.6 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | cis | -162.9 | 149.1 | -12.6 | -120 | 170 | -48.6 | 0 | 0 | 113.9 | | |
| 296 | G | 30.4 | Very low | 34.2 | Very low | 73 Ų | 73 | 125.3 Ų | 125.3 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | trans | 82.7 | 160.6 | 150.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 297 | L | 33.5 | Very low | 33.4 | Very low | 174 Ų | 174 | 123 Ų | 123 | 91% | 0.911 | 76% | 0.759 | S | S | * | * | | | cis | -158.8 | 144.1 | -21 | -170.7 | 64.7 | 0 | 0 | 0 | 110.9 | | |
| 298 | A | 31.3 | Very low | 32.6 | Very low | 100 Ų | 100 | 126.3 Ų | 126.3 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | | | trans | -2.1 | 146 | 169.3 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 299 | G | 27.6 | Very low | 32.1 | Very low | 63 Ų | 63 | 125.1 Ų | 125.1 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | | | trans | 148.7 | 107.5 | 134.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 300 | N | 31.3 | Very low | 31.9 | Very low | 171 Ų | 171 | 128.3 Ų | 128.3 | 91% | 0.914 | 76% | 0.762 | S | S | * | * | | | trans | 64.3 | 170.4 | 150.3 | -52.3 | -18.3 | 0 | 0 | 0 | 118.8 | | |
| 301 | A | 30.1 | Very low | 31.7 | Very low | 77 Ų | 77 | 125.6 Ų | 125.6 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | | | cis | -176.4 | 165.9 | -48.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 302 | Q | 30.6 | Very low | 31.5 | Very low | 186 Ų | 186 | 126.7 Ų | 126.7 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | | | trans | 70.7 | 159.8 | 174.2 | -48.9 | -68.9 | -27.3 | 0 | 0 | 116.5 | | |
| 303 | A | 28.8 | Very low | 31.4 | Very low | 70 Ų | 70 | 127.2 Ų | 127.2 | 58% | 0.579 | 75% | 0.754 | S | S | * | * | | | cis | -176.2 | 145.4 | -42.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 304 | V | 26.8 | Very low | 31.1 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 89% | 0.891 | 76% | 0.755 | S | S | * | * | | | trans | 67.6 | 147.1 | 151 | 168.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 305 | A | 28.2 | Very low | 30.7 | Very low | 72 Ų | 72 | 124.6 Ų | 124.6 | 60% | 0.595 | 76% | 0.755 | S | S | * | * | | | cis | -148 | 155.3 | 24.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 306 | L | 29.3 | Very low | 30.3 | Very low | 168 Ų | 168 | 125.1 Ų | 125.1 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | | | trans | 44.3 | 144.7 | 130 | -56.8 | 171.6 | 0 | 0 | 0 | 121.8 | | |
| 307 | A | 30.8 | Very low | 30.4 | Very low | 70 Ų | 70 | 126.4 Ų | 126.4 | 58% | 0.579 | 76% | 0.755 | S | S | * | * | | | cis | -174 | 154.7 | -13.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 308 | Q | 31.7 | Very low | 31.3 | Very low | 187 Ų | 187 | 123.1 Ų | 123.1 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | | | trans | 65 | 157.3 | 154.3 | -70.8 | 170.5 | 6.5 | 0 | 0 | 117.1 | | |
| 309 | V | 26 | Very low | 31.4 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | | | cis | -145.7 | 132.9 | 8.4 | 94.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 310 | R | 33.9 | Very low | 31.5 | Very low | 224 Ų | 224 | 125 Ų | 125 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | | | | 61 | 130.5 | 103.1 | -164.6 | 178.5 | -167.6 | 175.4 | 5.1 | 114.8 | | |
| 311 | S | 33.7 | Very low | 31.5 | Very low | 86 Ų | 86 | 122 Ų | 122 | 60% | 0.601 | 75% | 0.753 | S | S | * | * | | | cis | -173.6 | 154.9 | -6.5 | -111.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 312 | N | 31.4 | Very low | 31.5 | Very low | 155 Ų | 155 | 122.7 Ų | 122.7 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | | | trans | 60.9 | 163.7 | 149.1 | -53.8 | 18.7 | 0 | 0 | 0 | 117.2 | | |
| 313 | A | 31.8 | Very low | 31.7 | Very low | 84 Ų | 84 | 120.4 Ų | 120.4 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | | | cis | -143.4 | 155.2 | 1.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 314 | A | 29.4 | Very low | 31.7 | Very low | 88 Ų | 88 | 122.1 Ų | 122.1 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | | 64.9 | 157.3 | 98.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 315 | L | 32.1 | Very low | 31.9 | Very low | 151 Ų | 151 | 120 Ų | 120 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | cis | -173.6 | 153.3 | -22.1 | -94.6 | 174.8 | 0 | 0 | 0 | 104.9 | | |
| 316 | E | 28.2 | Very low | 32.4 | Very low | 172 Ų | 172 | 123.1 Ų | 123.1 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | cis | -156.1 | -79.7 | -13 | -169.7 | -172.1 | 93.6 | 0 | 0 | 112 | | |
| 317 | S | 31.4 | Very low | 33.3 | Very low | 99 Ų | 99 | 121 Ų | 121 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | | | trans | -170.5 | -177.6 | -172.9 | -124.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 318 | P | 54.1 | Low | 33.4 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | | | cis | -134.9 | -176.3 | -14.9 | 39.5 | -21.9 | 0 | 0 | 0 | 114.9 | | |
| 319 | S | 32.4 | Very low | 33.3 | Very low | 126 Ų | 126 | 120.6 Ų | 120.6 | 88% | 0.881 | 78% | 0.777 | S | S | * | * | | | trans | 61 | 126.8 | 148.8 | -64 | 0 | 0 | 0 | 0 | 123.3 | | |
| 320 | G | 30.2 | Very low | 33.8 | Very low | 77 Ų | 77 | 120.6 Ų | 120.6 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | trans | 155.2 | 87.8 | 148.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 321 | A | 30.6 | Very low | 33.9 | Very low | 108 Ų | 108 | 114.3 Ų | 114.3 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | | | trans | 64.5 | 152.5 | 147.7 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 322 | A | 31.3 | Very low | 33.9 | Very low | 91 Ų | 91 | 119 Ų | 119 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | trans | 87.3 | 134.8 | 147.7 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 323 | V | 33.1 | Very low | 33.9 | Very low | 138 Ų | 138 | 115.8 Ų | 115.8 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | | | trans | 51.2 | 123.1 | 149.9 | -60.9 | 0 | 0 | 0 | 0 | 125.3 | | |
| 324 | S | 29 | Very low | 34 | Very low | 106 Ų | 106 | 121.2 Ų | 121.2 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | | 63.3 | 130.7 | 129 | -155.4 | 0 | 0 | 0 | 0 | 124.4 | | |
| 325 | S | 30.7 | Very low | 34.7 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | | | trans | 64.4 | 108.7 | 143.5 | 49.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 326 | V | 38.4 | Very low | 34.8 | Very low | 137 Ų | 137 | 123.3 Ų | 123.3 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | | | trans | -36.4 | 164.1 | 147.8 | -95.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 327 | P | 50.1 | Low | 35 | Very low | 123 Ų | 123 | 122 Ų | 122 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | | | cis | -130.2 | 174.5 | 8.3 | 31.7 | -10.2 | 0 | 0 | 0 | 117 | | |
| 328 | S | 31.1 | Very low | 34.9 | Very low | 118 Ų | 118 | 120.7 Ų | 120.7 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | trans | -88.3 | 165.2 | -176 | -49.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 329 | S | 30.6 | Very low | 33.8 | Very low | 131 Ų | 131 | 121 Ų | 121 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | | | trans | -150 | 177.3 | 170.1 | -85.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 330 | A | 37 | Very low | 33.7 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | | | trans | -88.1 | -174 | -152 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 331 | A | 35.4 | Very low | 33.7 | Very low | 91 Ų | 91 | 126 Ų | 126 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | | | trans | -115.3 | 177.7 | -155.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 332 | M | 33 | Very low | 33.9 | Very low | 184 Ų | 184 | 131.2 Ų | 131.2 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | | | trans | -154.8 | 160.1 | -178.3 | -82.8 | -63.8 | 172.6 | 0 | 0 | 109.6 | | |
| 333 | A | 32.7 | Very low | 33.7 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | cis | -150.2 | -119.1 | -9.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 334 | K | 34.2 | Very low | 33.7 | Very low | 198 Ų | 198 | 133.7 Ų | 133.7 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | trans | -151 | 155 | -179.3 | -68.5 | -175.6 | 179.6 | 175.1 | 0 | 112.8 | | |
| 335 | P | 43.9 | Very low | 33.5 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | | | | -149.7 | -168.3 | 112.7 | 38.8 | -21.7 | 0 | 0 | 0 | 114.4 | | |
| 336 | L | 32.7 | Very low | 33.4 | Very low | 154 Ų | 154 | 136 Ų | 136 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | | | | -165.8 | 109.1 | -60.8 | -171.9 | 70.9 | 0 | 0 | 0 | 113.5 | | |
| 337 | V | 34 | Very low | 32.8 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | | | trans | 66.2 | 136 | 152.1 | 178.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 338 | G | 27.3 | Very low | 31.7 | Very low | 71 Ų | 71 | 134.5 Ų | 134.5 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | | | trans | 178.1 | 149 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 339 | S | 31.6 | Very low | 32.4 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -165.6 | 168.8 | -170.3 | -158.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 340 | L | 31.3 | Very low | 32.3 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | 80.1 | 159.5 | 167.1 | -43.8 | 178.4 | 0 | 0 | 0 | 117.7 | | |
| 341 | K | 29.1 | Very low | 31.8 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 68% | 0.683 | 76% | 0.761 | S | S | * | * | | | cis | -164.6 | 137.7 | 8.3 | -147.3 | 167.1 | 68.8 | -174.8 | 0 | 117 | | |
| 342 | R | 34.6 | Very low | 31.5 | Very low | 216 Ų | 216 | 138.2 Ų | 138.2 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | | | trans | 35 | 138.6 | 146.6 | -62.1 | -179.2 | -139.2 | 170.5 | -0.2 | 126.9 | | |
| 343 | K | 26.9 | Very low | 31.5 | Very low | 189 Ų | 189 | 133.3 Ų | 133.3 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | | | | -173 | 138.5 | 114.3 | -109.3 | -157.5 | 165.9 | -158 | 0 | 111.5 | | |
| 344 | S | 34.2 | Very low | 31.3 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | | | | 61.8 | 142.6 | 92.4 | -124.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 345 | E | 24.5 | Very low | 31.2 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 71% | 0.71 | 74% | 0.742 | S | S | * | * | | | cis | -169.5 | 155.4 | 28.5 | -156.4 | 143.3 | 99 | 0 | 0 | 113.9 | | |
| 346 | S | 28.5 | Very low | 30.8 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | trans | 49.8 | 163.5 | 158 | -88.1 | 0 | 0 | 0 | 0 | 122.5 | | |
| 347 | D | 26.1 | Very low | 30.7 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | | | cis | -147.4 | -168.3 | -1.4 | -141.4 | -88.2 | 0 | 0 | 0 | 113.3 | | |
| 348 | A | 27.9 | Very low | 30.6 | Very low | 82 Ų | 82 | 128 Ų | 128 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | | | trans | -120.7 | -148.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 349 | P | 44.3 | Very low | 31.1 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | | | cis | -135 | 179.9 | 2.9 | 45.6 | -28.2 | 0 | 0 | 0 | 117 | | |
| 350 | N | 28.8 | Very low | 31.5 | Very low | 137 Ų | 137 | 129 Ų | 129 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | | | trans | 60.7 | 152.4 | 151.2 | -71.2 | 21.1 | 0 | 0 | 0 | 120 | | |
| 351 | E | 25.9 | Very low | 31.4 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 62% | 0.617 | 73% | 0.725 | S | S | * | * | | | cis | -167.9 | -175.7 | -9.9 | -112.9 | -48.3 | 83.9 | 0 | 0 | 108.5 | | |
| 352 | M | 29.9 | Very low | 31.6 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 77% | 0.768 | 73% | 0.731 | S | S | * | * | | | cis | -160.3 | 174.3 | -2.6 | 49.7 | -176.2 | -177.8 | 0 | 0 | 110.4 | | |
| 353 | S | 33.2 | Very low | 31.4 | Very low | 82 Ų | 82 | 127.5 Ų | 127.5 | 57% | 0.573 | 73% | 0.728 | S | S | * | * | | | trans | 14.8 | 148.4 | 140.5 | -71.7 | 0 | 0 | 0 | 0 | 123.3 | | |
| 354 | E | 29.3 | Very low | 31.5 | Very low | 169 Ų | 169 | 123 Ų | 123 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | | | cis | -168.1 | 165.4 | -3.3 | -124.6 | 167.2 | 106.1 | 0 | 0 | 113.5 | | |
| 355 | A | 32.1 | Very low | 31.3 | Very low | 86 Ų | 86 | 123.1 Ų | 123.1 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | | | trans | 58.6 | 152.8 | 147.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 356 | S | 34.7 | Very low | 32.8 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 81% | 0.811 | 73% | 0.733 | S | S | * | * | | | cis | -177.4 | 160.9 | -16.3 | -93.5 | 0 | 0 | 0 | 0 | 106.6 | | |
| 357 | D | 30.7 | Very low | 33.7 | Very low | 143 Ų | 143 | 122.4 Ų | 122.4 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | | | cis | -163.1 | -151.5 | -17.8 | -173.7 | -138 | 0 | 0 | 0 | 103.8 | | |
| 358 | S | 32.8 | Very low | 34 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | | | cis | -158.2 | 154.3 | 5 | -66.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 359 | A | 36 | Very low | 34.4 | Very low | 79 Ų | 79 | 124.7 Ų | 124.7 | 65% | 0.653 | 75% | 0.747 | S | S | * | * | | | trans | 67.8 | 159.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | M361 | A359-M361 HydrophobicContact CB-SD 4.39Š|
| 360 | P | 40.1 | Very low | 34.3 | Very low | 125 Ų | 125 | 126 Ų | 126 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | | | cis | -109.7 | 177 | 2.6 | 40.8 | -31.4 | 0 | 0 | 0 | 115.5 | | |
| 361 | M | 30.8 | Very low | 34.4 | Very low | 166 Ų | 166 | 123.9 Ų | 123.9 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | -105.7 | 162.3 | -162.3 | 30.6 | -79.1 | 174.3 | 0 | 0 | 114.3 | A359 | A359-M361 HydrophobicContact CB-SD 4.39Š|
| 362 | K | 33.4 | Very low | 35.3 | Very low | 186 Ų | 186 | 122.8 Ų | 122.8 | 81% | 0.809 | 76% | 0.761 | S | S | * | * | | | trans | -82.4 | -171.7 | 168.4 | -48.9 | 178.4 | -174.8 | 175.1 | 0 | 109.5 | | |
| 363 | D | 28.7 | Very low | 35.2 | Very low | 141 Ų | 141 | 121.9 Ų | 121.9 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | | | cis | -164.8 | -163.3 | 18.8 | -146.2 | -68.5 | 0 | 0 | 0 | 109.8 | | |
| 364 | A | 29.5 | Very low | 35 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | | | trans | 118 | 125.3 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 365 | A | 29.9 | Very low | 34.7 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | -165 | -177.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 366 | P | 55.8 | Low | 34.7 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | | -106.3 | -164.6 | -63.7 | 39.6 | -28.3 | 0 | 0 | 0 | 111.1 | | |
| 367 | P | 48.2 | Very low | 34.4 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 84% | 0.844 | 77% | 0.769 | S | S | * | * | | | | -143.7 | -158.6 | 116.5 | 36.3 | -18.8 | 0 | 0 | 0 | 114.7 | | |
| 368 | L | 32.1 | Very low | 35.4 | Very low | 166 Ų | 166 | 123.4 Ų | 123.4 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | | | trans | -112.4 | 172.7 | -153.4 | -64.8 | 171.2 | 0 | 0 | 0 | 117.3 | | |
| 369 | S | 36.1 | Very low | 35.3 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -61.4 | 167.8 | -171.9 | -26.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 370 | P | 42.2 | Very low | 35.2 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | | -149 | -163.6 | 70 | 41.4 | -20.4 | 0 | 0 | 0 | 116.5 | | |
| 371 | A | 30.8 | Very low | 34.9 | Very low | 91 Ų | 91 | 126.6 Ų | 126.6 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | trans | -120.9 | -176 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 372 | P | 45.6 | Very low | 34.9 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | | | cis | -138.5 | -154.1 | 6.6 | 36.9 | -11.9 | 0 | 0 | 0 | 115 | | |
| 373 | T | 28.4 | Very low | 34.7 | Very low | 137 Ų | 137 | 118.6 Ų | 118.6 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | | | trans | 72.7 | 160.1 | 169.9 | 72.7 | 0 | 0 | 0 | 0 | 118.7 | | |
| 374 | K | 28.6 | Very low | 34.9 | Very low | 177 Ų | 177 | 121.2 Ų | 121.2 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | cis | -169.2 | 148.4 | -37 | -173.6 | -148.7 | -177 | -140.5 | 0 | 109.7 | | |
| 375 | D | 23.3 | Very low | 35 | Very low | 116 Ų | 116 | 122 Ų | 122 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | | | trans | 92.1 | 155.4 | 148.2 | -132.1 | -70.2 | 0 | 0 | 0 | 122.6 | | |
| 376 | S | 30.9 | Very low | 35.2 | Very low | 113 Ų | 113 | 121.9 Ų | 121.9 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | trans | 84.6 | 149.6 | 159.5 | -68.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 377 | A | 29.7 | Very low | 35.1 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | -145.8 | -149.3 | -155.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 378 | P | 50.8 | Low | 35.1 | Very low | 127 Ų | 127 | 120.7 Ų | 120.7 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | | | cis | -114.9 | -157.1 | -15 | 43.8 | -27.9 | 0 | 0 | 0 | 110.4 | | |
| 379 | A | 30.9 | Very low | 34.9 | Very low | 86 Ų | 86 | 118.7 Ų | 118.7 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | | | cis | -144.3 | -166.2 | 1.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 380 | V | 34.5 | Very low | 34.7 | Very low | 126 Ų | 126 | 121.3 Ų | 121.3 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | | | cis | -140.6 | -169.1 | 14.1 | -70.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 381 | D | 31.7 | Very low | 33.9 | Very low | 148 Ų | 148 | 120.4 Ų | 120.4 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | cis | -154.5 | -157.6 | 6.4 | -145.1 | -66 | 0 | 0 | 0 | 111 | | |
| 382 | A | 31.8 | Very low | 34.4 | Very low | 77 Ų | 77 | 123.7 Ų | 123.7 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | trans | -74.3 | 170 | -176.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 383 | T | 29.3 | Very low | 33.7 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | | | cis | 177.6 | 133.9 | -30.3 | -91.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 384 | F | 32.6 | Very low | 33.9 | Very low | 196 Ų | 196 | 124.8 Ų | 124.8 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | trans | 56.4 | 160.7 | 167.5 | -64.1 | -40 | 0 | 0 | 0 | 118.6 | | |
| 385 | S | 32.1 | Very low | 35.2 | Very low | 109 Ų | 109 | 121.1 Ų | 121.1 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | | | cis | -159.6 | 162.5 | -27 | -101.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 386 | A | 33.8 | Very low | 35.5 | Very low | 93 Ų | 93 | 122.8 Ų | 122.8 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | -95.6 | 178.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 387 | P | 53.5 | Low | 35.5 | Very low | 119 Ų | 119 | 122.6 Ų | 122.6 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | cis | -121.8 | -133.8 | -10.7 | 40.3 | -20.1 | 0 | 0 | 0 | 109.4 | | |
| 388 | P | 47.9 | Very low | 35.7 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | | | cis | -133.6 | 172.1 | -29 | 37.9 | -19.6 | 0 | 0 | 0 | 116.7 | | |
| 389 | T | 28.7 | Very low | 34.7 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | 51.1 | 132.3 | 147.8 | 47.6 | 0 | 0 | 0 | 0 | 124.7 | | |
| 390 | L | 30.8 | Very low | 34.8 | Very low | 166 Ų | 166 | 126.9 Ų | 126.9 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | | | trans | 80.6 | 150.4 | 142.3 | -73.9 | 171.9 | 0 | 0 | 0 | 122.3 | | |
| 391 | S | 27.1 | Very low | 34.7 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | 76.9 | 116.7 | 160.6 | -59.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 392 | L | 39.8 | Very low | 34.7 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | -71.4 | 155.4 | 159 | -73.6 | 163.2 | 0 | 0 | 0 | 110.9 | | |
| 393 | P | 32 | Very low | 34.9 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | | -138.1 | 155.4 | 120.6 | 37.2 | -26.9 | 0 | 0 | 0 | 115.3 | | |
| 394 | L | 32.9 | Very low | 35.3 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | -108.1 | 176.3 | 160 | -92.1 | 79.9 | 0 | 0 | 0 | 108.1 | | |
| 395 | P | 56 | Low | 35.7 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | | | cis | -130.4 | -177.4 | -13.4 | 25.3 | -2.3 | 0 | 0 | 0 | 113 | | |
| 396 | L | 29.1 | Very low | 36.3 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | | 169.3 | 132.3 | 112 | -88.6 | 166.8 | 0 | 0 | 0 | 115 | | |
| 397 | S | 30.5 | Very low | 36.5 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | trans | 48 | 115.1 | 142.5 | -59 | 0 | 0 | 0 | 0 | 122.4 | | |
| 398 | R | 33.7 | Very low | 36.2 | Very low | 248 Ų | 248 | 136.9 Ų | 136.9 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | | | | 172.2 | 141.5 | 101 | 172.6 | 172.2 | -77.9 | -176.6 | -3.9 | 113.1 | | |
| 399 | G | 31 | Very low | 36.1 | Very low | 78 Ų | 78 | 138.3 Ų | 138.3 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | 75.4 | 107.8 | 152 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 400 | G | 31.9 | Very low | 36.9 | Very low | 72 Ų | 72 | 138.8 Ų | 138.8 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | trans | -97 | 173.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 401 | H | 33.3 | Very low | 37.8 | Very low | 208 Ų | 208 | 137.6 Ų | 137.6 | 96% | 0.963 | 80% | 0.801 | S | S | * | * | | | trans | 63.5 | 111.2 | 164.5 | -82.9 | -117.3 | 0 | 0 | 0 | 118.2 | | |
| 402 | G | 31.8 | Very low | 38.8 | Very low | 70 Ų | 70 | 137.2 Ų | 137.2 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | cis | 168.3 | 139.9 | -8.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 403 | D | 35.8 | Very low | 39.4 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 92% | 0.92 | 79% | 0.792 | S | S | * | * | | | trans | -108.1 | 163.7 | 170.7 | -100 | -63.9 | 0 | 0 | 0 | 112 | | |
| 404 | K | 38.2 | Very low | 40.2 | Very low | 190 Ų | 190 | 136.2 Ų | 136.2 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | | | trans | -123.1 | 151.8 | -178 | -56.4 | 177.3 | -172 | 176.2 | 0 | 109 | | |
| 405 | V | 40.3 | Very low | 41.4 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | | | trans | 78.1 | 139.9 | -175.1 | -170.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 406 | P | 44.6 | Very low | 41.7 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | | | cis | -118 | 141.9 | -27.3 | 33 | -17.9 | 0 | 0 | 0 | 112.5 | A408 | P406-A408 PolarHBondContact O-N 3.11Š|
| 407 | Q | 37 | Very low | 43.1 | Very low | 190 Ų | 190 | 131 Ų | 131 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | | | trans | -84 | 116.5 | 169.2 | -84.4 | -169 | -9 | 0 | 0 | 111.7 | V409 | Q407-V409 PolarHBondContact O-N 3.04Š|
| 408 | A | 47 | Very low | 44.7 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | | | trans | -75.3 | 115.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | P406 V410 | P406-A408 PolarHBondContact O-N 3.11Å; A408-V410 PolarHBondContact O-N 3.23Å |
| 409 | V | 46.1 | Very low | 46.2 | Very low | 129 Ų | 129 | 124.3 Ų | 124.3 | 78% | 0.782 | 72% | 0.722 | S | S | * | * | | | trans | -79.9 | 100.8 | -177.7 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | Q407 K411 | Q407-V409 PolarHBondContact O-N 3.04Å; V409-K411 PolarHBondContact O-N 3.15Å |
| 410 | V | 45.1 | Very low | 47.9 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 81% | 0.806 | 73% | 0.725 | S | S | * | * | | | trans | -70.5 | 110 | 164 | 178 | 0 | 0 | 0 | 0 | 108.1 | A408 P412 | A408-V410 PolarHBondContact O-N 3.23Å; V410-P412 VanDerWaalsContact O-CD 3.3Å; V410-P412 WeakPolarHBondContact O-CD 3.45Å |
| 411 | K | 51.3 | Low | 49.4 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 61% | 0.613 | 73% | 0.726 | S | S | * | * | | | trans | -70.7 | 114.8 | -179.6 | -173.5 | 175.2 | -179.4 | 177.7 | 0 | 109.7 | V409 Q413 A428 | V409-K411 PolarHBondContact O-N 3.15Å; K411-Q413 PolarHBondContact O-N 3.11Å; K411-A428 PolarHBondContact NZ-O 3.47Å |
| 412 | P | 47.5 | Very low | 50.7 | Low | 105 Ų | 105 | 127.5 Ų | 127.5 | 68% | 0.682 | 72% | 0.715 | S | S | * | * | | | trans | -71.6 | 118.8 | 178 | 28.9 | -33 | 0 | 0 | 0 | 110 | V410 V414 | V410-P412 VanDerWaalsContact O-CD 3.3Å; V410-P412 WeakPolarHBondContact O-CD 3.45Å; P412-V414 PolarHBondContact O-N 3.03Å; P412-V414 VanDerWaalsContact O-N 3.17Å |
| 413 | Q | 51.9 | Low | 52.5 | Low | 162 Ų | 162 | 128.7 Ų | 128.7 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | | | trans | -77 | 98.5 | 169 | -81.6 | -179.1 | -50 | 0 | 0 | 109.4 | K411 L415 | K411-Q413 PolarHBondContact O-N 3.11Å; Q413-L415 PolarHBondContact O-N 3.28Å; Q413-L415 VanDerWaalsContact O-N 3.15Å |
| 414 | V | 48.9 | Very low | 53.6 | Low | 100 Ų | 100 | 124.6 Ų | 124.6 | 61% | 0.606 | 69% | 0.685 | S | S | * | * | | | trans | -77.7 | 95.3 | 173.4 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | P412 T416 | P412-V414 PolarHBondContact O-N 3.03Å; P412-V414 VanDerWaalsContact O-N 3.17Å; V414-T416 HydrophobicContact CG1-CG2 3.97Å; V414-T416 PolarHBondContact O-N 3.42Å |
| 415 | L | 57.5 | Low | 54.5 | Low | 96 Ų | 96 | 122.6 Ų | 122.6 | 50% | 0.503 | 68% | 0.678 | S | S | . | * | | | trans | -71.2 | 99.7 | 174.3 | -173.1 | 77.9 | 0 | 0 | 0 | 109.2 | Q413 L418 V423 I424 | Q413-L415 PolarHBondContact O-N 3.28Å; Q413-L415 VanDerWaalsContact O-N 3.15Å; L415-L418 HydrophobicContact CD2-CD1 4.42Å; L415-V423 HydrophobicContact CD1-CG1 3.77Å; L415-I424 WeakPolarHBondContact CD1-O 3.21Å |
| 416 | T | 64 | Low | 55.4 | Low | 73 Ų | 73 | 122.2 Ų | 122.2 | 45% | 0.448 | 67% | 0.667 | S | S | . | * | | | trans | -81 | -34.6 | -170.6 | 56.4 | 0 | 0 | 0 | 0 | 114.5 | V414 | V414-T416 HydrophobicContact CG1-CG2 3.97Å; V414-T416 PolarHBondContact O-N 3.42Å |
| 417 | H | 58.8 | Low | 56.2 | Low | 120 Ų | 120 | 119.3 Ų | 119.3 | 56% | 0.556 | 66% | 0.658 | S | S | * | * | | | trans | -145 | 139.1 | -173.2 | -61.5 | 88.2 | 0 | 0 | 0 | 114.4 | | |
| 418 | L | 63.2 | Low | 57 | Low | 116 Ų | 116 | 114.1 Ų | 114.1 | 61% | 0.607 | 65% | 0.648 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.8 | 126.6 | 168 | -98.6 | 160.7 | 0 | 0 | 0 | 107.7 | L415 V423 | L415-L418 HydrophobicContact CD2-CD1 4.42Å; L418-V423 HydrophobicContact CD2-CG2 4.11Å |
| 419 | I | 64.9 | Low | 57.5 | Low | 101 Ų | 101 | 117.5 Ų | 117.5 | 52% | 0.518 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -134.2 | 125.1 | 177 | -56.5 | 179.4 | 0 | 0 | 0 | 108.2 | G421 F422 | I419-G421 VanDerWaalsContact C-N 3.26Å; I419-G421 PolarHBondContact O-N 3.06Å; I419-F422 PolarHBondContact O-N 2.87Å |
| 420 | E | 67.8 | Low | 58.2 | Low | 188 Ų | 188 | 117 Ų | 117 | 88% | 0.879 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 43 | 44.3 | 167.9 | -60.8 | -174.4 | 161.7 | 0 | 0 | 115.7 | | |
| 421 | G | 62.9 | Low | 58.3 | Low | 74 Ų | 74 | 120 Ų | 120 | 76% | 0.763 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.2 | -5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116 | I419 | I419-G421 VanDerWaalsContact C-N 3.26Å; I419-G421 PolarHBondContact O-N 3.06Å |
| 422 | F | 59.4 | Low | 58.5 | Low | 163 Ų | 163 | 119.2 Ų | 119.2 | 72% | 0.715 | 66% | 0.659 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.1 | 178.5 | -65.8 | -86.8 | 0 | 0 | 0 | 112 | I419 | I419-F422 PolarHBondContact O-N 2.87Å |
| 423 | V | 70 | Confident | 58.8 | Low | 94 Ų | 94 | 120.9 Ų | 120.9 | 57% | 0.57 | 67% | 0.667 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.2 | 110.3 | 177.4 | -176.9 | 0 | 0 | 0 | 0 | 109 | L415 L418 Q425 | L415-V423 HydrophobicContact CD1-CG1 3.77Å; L418-V423 HydrophobicContact CD2-CG2 4.11Å; V423-Q425 PolarHBondContact O-N 2.94Å |
| 424 | I | 60.1 | Low | 58.6 | Low | 87 Ų | 87 | 117.7 Ų | 117.7 | 45% | 0.446 | 67% | 0.668 | S | S | . | * | | | trans | -83.7 | 101 | 174.6 | -55.5 | 177.7 | 0 | 0 | 0 | 108.3 | L415 | L415-I424 WeakPolarHBondContact CD1-O 3.21Š|
| 425 | Q | 56.8 | Low | 58.2 | Low | 147 Ų | 147 | 116.2 Ų | 116.2 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 122.5 | 165.2 | -75.7 | -172.1 | -9.7 | 0 | 0 | 109.6 | V423 | V423-Q425 PolarHBondContact O-N 2.94Š|
| 426 | E | 59.3 | Low | 57.6 | Low | 133 Ų | 133 | 118.2 Ų | 118.2 | 62% | 0.621 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 132 | 168.7 | -170.9 | 170.8 | 176.9 | 0 | 0 | 109.5 | | |
| 427 | G | 59.8 | Low | 56.9 | Low | 56 Ų | 56 | 121.6 Ų | 121.6 | 58% | 0.577 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -59 | 139.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E429 | G427-E429 PolarHBondContact O-N 3Å; G427-E429 VanDerWaalsContact O-N 3.11Å |
| 428 | A | 55.8 | Low | 56.2 | Low | 82 Ų | 82 | 125.6 Ų | 125.6 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -65.4 | -16.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K411 | K411-A428 PolarHBondContact NZ-O 3.47Š|
| 429 | E | 55.7 | Low | 55.1 | Low | 168 Ų | 168 | 123.9 Ų | 123.9 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -115.4 | 143.7 | 173.4 | -57.6 | -162.4 | 135.1 | 0 | 0 | 110.6 | G427 | G427-E429 PolarHBondContact O-N 3Å; G427-E429 VanDerWaalsContact O-N 3.11Å |
| 430 | P | 61.4 | Low | 54 | Low | 119 Ų | 119 | 125.6 Ų | 125.6 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | | | trans | -67.3 | 149.1 | 175.4 | 30.2 | -35.3 | 0 | 0 | 0 | 111.1 | | |
| 431 | F | 47.1 | Very low | 52.8 | Low | 195 Ų | 195 | 122.7 Ų | 122.7 | 86% | 0.855 | 70% | 0.696 | S | S | * | * | | | trans | -50.1 | 131.4 | 174.1 | -69.6 | -86 | 0 | 0 | 0 | 111 | V433 | F431-V433 PolarHBondContact O-N 3.28Š|
| 432 | P | 56.3 | Low | 52 | Low | 124 Ų | 124 | 126.2 Ų | 126.2 | 81% | 0.805 | 69% | 0.69 | S | S | * | * | | | trans | -69.5 | 92.5 | -175.2 | 27 | -34.6 | 0 | 0 | 0 | 111.1 | A434 | P432-A434 PolarHBondContact O-N 3.33Š|
| 433 | V | 52.7 | Low | 51.3 | Low | 140 Ų | 140 | 121.4 Ų | 121.4 | 85% | 0.848 | 68% | 0.681 | S | S | * | * | | | trans | -57.6 | 110.6 | 163 | 179.7 | 0 | 0 | 0 | 0 | 106.7 | F431 G435 | F431-V433 PolarHBondContact O-N 3.28Å; V433-G435 PolarHBondContact O-N 2.97Å |
| 434 | A | 49.3 | Very low | 50.2 | Low | 96 Ų | 96 | 121.7 Ų | 121.7 | 79% | 0.793 | 68% | 0.678 | S | S | * | * | | | trans | -45.4 | 97.8 | -160.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P432 L436 | P432-A434 PolarHBondContact O-N 3.33Å; A434-L436 VanDerWaalsContact C-N 3.32Å; A434-L436 PolarHBondContact O-N 3.13Å |
| 435 | G | 40.4 | Very low | 49.7 | Very low | 68 Ų | 68 | 122 Ų | 122 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | | | trans | -75.6 | 79.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V433 L437 | V433-G435 PolarHBondContact O-N 2.97Å; G435-L437 PolarHBondContact O-N 3.46Å |
| 436 | L | 43.5 | Very low | 49.4 | Very low | 138 Ų | 138 | 115.7 Ų | 115.7 | 72% | 0.723 | 66% | 0.659 | S | S | * | * | | | trans | -73.8 | 59.2 | 173.8 | -149 | 173.9 | 0 | 0 | 0 | 110.5 | A434 D439 | A434-L436 VanDerWaalsContact C-N 3.32Å; A434-L436 PolarHBondContact O-N 3.13Å; L436-D439 HydrophobicContact CD2-CB 3.6Å |
| 437 | L | 50.4 | Low | 48.8 | Very low | 145 Ų | 145 | 118 Ų | 118 | 76% | 0.759 | 66% | 0.662 | S | S | * | * | | | trans | -102.3 | 51.6 | 174.2 | -69.9 | -178.8 | 0 | 0 | 0 | 110.9 | G435 R440 | G435-L437 PolarHBondContact O-N 3.46Å; L437-R440 HydrophobicContact CD2-CG 4.2Å |
| 438 | K | 44.3 | Very low | 48.2 | Very low | 204 Ų | 204 | 120.1 Ų | 120.1 | 89% | 0.887 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -140.7 | 38.1 | 157.3 | -152.8 | 166 | -176.1 | 175.1 | 0 | 112.4 | | |
| 439 | D | 39.3 | Very low | 48 | Very low | 80 Ų | 80 | 124.8 Ų | 124.8 | 43% | 0.428 | 67% | 0.671 | S | S | . | * | | | trans | -144.8 | 50.2 | 172.5 | -162.3 | -115.1 | 0 | 0 | 0 | 110.1 | L436 F442 | L436-D439 HydrophobicContact CD2-CB 3.6Å; D439-F442 WeakPolarHBondContact OD2-CD2 3.31Å |
| 440 | R | 41.2 | Very low | 47.9 | Very low | 136 Ų | 136 | 124 Ų | 124 | 51% | 0.513 | 67% | 0.673 | S | S | . | * | | | trans | -84.8 | -16.5 | -172.5 | -95.5 | -95.5 | 46.9 | 173.4 | -4.7 | 113.8 | L437 | L437-R440 HydrophobicContact CD2-CG 4.2Š|
| 441 | D | 42.3 | Very low | 48.1 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 68% | 0.684 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -84.1 | -44.5 | -173.8 | -55.8 | -86.8 | 0 | 0 | 0 | 112.7 | A443 L444 | D441-A443 PolarHBondContact O-N 3.21Å; D441-L444 PolarHBondContact O-N 3.21Å; D441-L444 VanDerWaalsContact O-N 3.07Å |
| 442 | F | 46.3 | Very low | 49.4 | Very low | 147 Ų | 147 | 114 Ų | 114 | 65% | 0.645 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -25.5 | 176.8 | -78.3 | -74.6 | 0 | 0 | 0 | 113.6 | D439 L444 | D439-F442 WeakPolarHBondContact OD2-CD2 3.31Å; F442-L444 VanDerWaalsContact C-N 3.33Å; F442-L444 PolarHBondContact O-N 3.35Å |
| 443 | A | 45 | Very low | 50.5 | Low | 62 Ų | 62 | 112 Ų | 112 | 51% | 0.512 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -8.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | D441 | D441-A443 PolarHBondContact O-N 3.21Š|
| 444 | L | 46.8 | Very low | 52.3 | Low | 100 Ų | 100 | 108.2 Ų | 108.2 | 52% | 0.524 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.9 | -26.6 | -179.3 | -93.2 | 162.7 | 0 | 0 | 0 | 114 | D441 F442 G446 R447 | D441-L444 PolarHBondContact O-N 3.21Å; D441-L444 VanDerWaalsContact O-N 3.07Å; F442-L444 VanDerWaalsContact C-N 3.33Å; F442-L444 PolarHBondContact O-N 3.35Å; L444-G446 PolarHBondContact O-N 2.72Å; L444-R447 PolarHBondContact O-N 3.29Å |
| 445 | V | 49.9 | Very low | 54.4 | Low | 94 Ų | 94 | 106.3 Ų | 106.3 | 57% | 0.57 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -22.4 | 177.4 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | F463 | V445-F463 HydrophobicContact CG1-CZ 4.41Š|
| 446 | G | 50.9 | Low | 56.9 | Low | 15 Ų | 15 | 108 Ų | 108 | 16% | 0.155 | 56% | 0.558 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -87.4 | 2.1 | 179 | 0 | 0 | 0 | 0 | 0 | 117 | L444 L454 | L444-G446 PolarHBondContact O-N 2.72Å; G446-L454 PolarHBondContact O-N 2.88Å |
| 447 | R | 46.9 | Very low | 59.3 | Low | 182 Ų | 182 | 101.5 Ų | 101.5 | 69% | 0.687 | 52% | 0.524 | S | S | * | . | | | trans | -127.4 | 105.9 | 178.6 | -79.9 | -173.1 | 176.7 | -105.4 | 6.5 | 112.4 | L444 | L444-R447 PolarHBondContact O-N 3.29Š|
| 448 | T | 47.7 | Very low | 61.3 | Low | 100 Ų | 100 | 99.3 Ų | 99.3 | 61% | 0.613 | 51% | 0.51 | S | S | * | . | | | trans | -70.2 | 143.7 | 143.6 | 49 | 0 | 0 | 0 | 0 | 108.5 | N450 G451 | T448-N450 PolarHBondContact O-N 3.49Å; T448-G451 PolarHBondContact O-N 3.48Å; T448-G451 WeakPolarHBondContact OG1-CA 3.46Å |
| 449 | E | 50.2 | Low | 63.5 | Low | 179 Ų | 179 | 93.9 Ų | 93.9 | 84% | 0.836 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -35.1 | -164.2 | -166.9 | 176.1 | 92.8 | 0 | 0 | 114.5 | | |
| 450 | N | 55.1 | Low | 66.1 | Low | 152 Ų | 152 | 92.5 Ų | 92.5 | 81% | 0.813 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | 20.8 | 180 | -67.6 | -81.3 | 0 | 0 | 0 | 112.9 | T448 | T448-N450 PolarHBondContact O-N 3.49Š|
| 451 | G | 63.8 | Low | 68.3 | Low | 25 Ų | 25 | 87.7 Ų | 87.7 | 26% | 0.258 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -95.1 | 158.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | T448 | T448-G451 PolarHBondContact O-N 3.48Å; T448-G451 WeakPolarHBondContact OG1-CA 3.46Å |
| 452 | P | 74.9 | Confident | 70.6 | Confident | 79 Ų | 79 | 85 Ų | 85 | 51% | 0.513 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 144.4 | 170.1 | 30.2 | -34.8 | 0 | 0 | 0 | 110.7 | L454 P465 | P452-L454 PolarHBondContact O-N 2.79Å; P452-P465 HydrophobicContact CG-CB 4.22Å; P452-P465 HydrophobicContact CG-CG 4.39Å |
| 453 | P | 80.5 | Confident | 72.8 | Confident | 83 Ų | 83 | 82.1 Ų | 82.1 | 54% | 0.539 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 128.3 | -174.5 | 25 | -34.5 | 0 | 0 | 0 | 111.7 | A466 | P453-A466 HydrophobicContact CG-CB 4.33Å; P453-A466 WeakPolarHBondContact O-CB 3.48Å; P453-A466 PolarHBondContact O-N 2.85Å |
| 454 | L | 90.3 | Very high | 74.9 | Confident | 59 Ų | 59 | 79.8 Ų | 79.8 | 31% | 0.309 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 149 | 175.9 | -52.6 | -177.8 | 0 | 0 | 0 | 111.2 | G446 P452 A464 P465 | G446-L454 PolarHBondContact O-N 2.88Å; P452-L454 PolarHBondContact O-N 2.79Å; L454-A464 WeakPolarHBondContact CA-O 3.44Å; L454-P465 HydrophobicContact CD2-CB 4.34Å; L454-P465 HydrophobicContact CD2-CG 3.84Å |
| 455 | L | 91.8 | Very high | 77 | Confident | 57 Ų | 57 | 76.4 Ų | 76.4 | 30% | 0.298 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 145.5 | 171.3 | -62.3 | 176 | 0 | 0 | 0 | 109.7 | F463 A464 A466 F469 K473 | L455-F463 VanDerWaalsContact O-CA 3.3Å; L455-F463 WeakPolarHBondContact O-CA 3.44Å; L455-A464 PolarHBondContact N-O 3.47Å; L455-A464 PolarHBondContact O-N 3.21Å; L455-A466 HydrophobicContact CD1-CB 3.74Å; L455-A466 HydrophobicContact CG-CB 3.95Å; L455-F469 HydrophobicContact CB-CD1 4.43Å; L455-F469 HydrophobicContact CB-CD2 4.04Å; L455-F469 HydrophobicContact CB-CE1 4.1Å; L455-F469 HydrophobicContact CB-CE2 3.69Å; L455-F469 HydrophobicContact CB-CG 4.41Å; L455-F469 HydrophobicContact CB-CZ 3.73Å; L455-F469 HydrophobicContact CD1-CB 4.46Å; L455-F469 HydrophobicContact CD1-CD1 4.45Å; L455-F469 HydrophobicContact CD1-CD2 4.36Å; L455-F469 HydrophobicContact CD1-CG 4.18Å; L455-F469 VanDerWaalsContact O-CE2 3.28Å; L455-F469 WeakPolarHBondContact O-CE2 3.39Å; L455-F469 WeakPolarHBondContact O-CZ 3.41Å; L455-K473 HydrophobicContact CD1-CB 4.15Å |
| 456 | K | 93.8 | Very high | 78.7 | Confident | 103 Ų | 103 | 73.3 Ų | 73.3 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 133.1 | 174.8 | -153.5 | 171.8 | -169.7 | 160.6 | 0 | 109.9 | G461 F463 E669 | K456-G461 VanDerWaalsContact CE-O 3.23Å; K456-G461 WeakPolarHBondContact CE-O 3.2Å; K456-G461 WeakPolarHBondContact CG-O 3.4Å; K456-F463 HydrophobicContact CB-CD1 3.93Å; K456-F463 HydrophobicContact CB-CE1 3.72Å; K456-F463 HydrophobicContact CB-CZ 4.19Å; K456-F463 HydrophobicContact CD-CE1 3.99Å; K456-F463 HydrophobicContact CD-CE2 3.89Å; K456-F463 HydrophobicContact CD-CZ 3.52Å; K456-F463 HydrophobicContact CG-CD1 4.15Å; K456-F463 HydrophobicContact CG-CD2 4.32Å; K456-F463 HydrophobicContact CG-CE1 3.85Å; K456-F463 HydrophobicContact CG-CE2 4.03Å; K456-F463 HydrophobicContact CG-CG 4.39Å; K456-F463 HydrophobicContact CG-CZ 3.8Å; K456-E669 IonicContact NZ-OE1 3.94Å; K456-E669 PolarHBondContact NZ-OE1 3.41Å |
| 457 | C | 94.3 | Very high | 80.4 | Confident | 2 Ų | 2 | 77.4 Ų | 77.4 | 1% | 0.014 | 43% | 0.426 | C | S | . | . | | | trans | -81.8 | 120.8 | 176.8 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | Y459 C460 G461 C462 F469 C476 | C457-Y459 PolarHBondContact O-N 3.29Å; C457-Y459 VanDerWaalsContact O-N 3.14Å; C457-C460 PolarHBondContact O-N 3.38Å; C457-C460 PolarHBondContact SG-SG 3.13Å; C457-G461 WeakPolarHBondContact O-CA 3.49Å; C457-G461 PolarHBondContact O-N 2.79Å; C457-C462 WeakPolarHBondContact CB-O 3.24Å; C457-C462 PolarHBondContact N-O 3Å; C457-F469 HydrophobicContact CB-CE1 4.28Å; C457-F469 HydrophobicContact CB-CZ 4.08Å; C457-C476 HydrophobicContact CB-CB 4.07Å; C457-C476 PolarHBondContact SG-N 3.02Å; C457-C476 VanDerWaalsContact SG-N 3.43Å |
| 458 | E | 91.2 | Very high | 82.1 | Confident | 99 Ų | 99 | 74 Ų | 74 | 46% | 0.463 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -14.3 | -173.7 | -154 | -171.9 | 126.6 | 0 | 0 | 114.2 | R474 F475 Y484 | E458-R474 PolarHBondContact N-O 3.3Å; E458-R474 IonicContact OE1-CZ 2.81Å; E458-R474 IonicContact OE1-NH2 2.71Å; E458-R474 PolarHBondContact OE1-NH2 3.41Å; E458-R474 IonicContact OE2-CZ 2.98Å; E458-R474 IonicContact OE2-NE 3.33Å; E458-R474 PolarHBondContact OE2-NE 3.4Å; E458-R474 IonicContact OE2-NH2 2.66Å; E458-R474 PolarHBondContact OE2-NH2 3.23Å; E458-F475 HydrophobicContact CB-CE1 4.15Å; E458-Y484 HydrophobicContact CG-CE2 4.22Å; E458-Y484 VanDerWaalsContact OE1-CE2 3.28Å; E458-Y484 WeakPolarHBondContact OE1-CE2 3.44Å; E458-Y484 VanDerWaalsContact OE1-CZ 3.24Å; E458-Y484 PolarHBondContact OE1-OH 3.37Å |
| 459 | Y | 92.4 | Very high | 84.1 | Confident | 89 Ų | 89 | 69.8 Ų | 69.8 | 35% | 0.349 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -33.1 | 176.6 | 176.9 | -100.1 | 0 | 0 | 0 | 114 | C457 C480 R483 | C457-Y459 PolarHBondContact O-N 3.29Å; C457-Y459 VanDerWaalsContact O-N 3.14Å; Y459-C480 HydrophobicContact CD1-CB 3.84Å; Y459-C480 HydrophobicContact CG-CB 4.2Å; Y459-R483 HydrophobicContact CD1-CB 4.39Å; Y459-R483 HydrophobicContact CD2-CB 4.15Å; Y459-R483 HydrophobicContact CE1-CB 3.86Å; Y459-R483 HydrophobicContact CE1-CG 4.39Å; Y459-R483 HydrophobicContact CE2-CB 3.6Å; Y459-R483 VanDerWaalsContact CZ-CB 3.47Å; Y459-R483 VanDerWaalsContact OH-CD 3.22Å; Y459-R483 WeakPolarHBondContact OH-CD 3.3Å |
| 460 | C | 92 | Very high | 85.5 | Confident | 51 Ų | 51 | 69.5 Ų | 69.5 | 35% | 0.345 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | 7.3 | -170.2 | 71.7 | 0 | 0 | 0 | 0 | 114.6 | C457 C462 | C457-C460 PolarHBondContact O-N 3.38Å; C457-C460 PolarHBondContact SG-SG 3.13Å; C460-C462 PolarHBondContact O-N 3.43Å; C460-C462 PolarHBondContact O-SG 3.39Å; C460-C462 VanDerWaalsContact O-SG 3.38Å; C460-C462 VanDerWaalsContact SG-SG 3.61Å |
| 461 | G | 89.1 | Confident | 86.4 | Confident | 35 Ų | 35 | 66.1 Ų | 66.1 | 36% | 0.361 | 38% | 0.384 | S | S | . | . | | | trans | 70.9 | -25.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | K456 C457 F463 | K456-G461 VanDerWaalsContact CE-O 3.23Å; K456-G461 WeakPolarHBondContact CE-O 3.2Å; K456-G461 WeakPolarHBondContact CG-O 3.4Å; C457-G461 WeakPolarHBondContact O-CA 3.49Å; C457-G461 PolarHBondContact O-N 2.79Å; G461-F463 PolarHBondContact O-N 2.87Å |
| 462 | C | 89.9 | Confident | 87 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 49% | 0.486 | 40% | 0.395 | S | S | . | . | | | trans | -56.3 | 132.6 | -175.5 | -53.8 | 0 | 0 | 0 | 0 | 113 | C457 C460 | C457-C462 WeakPolarHBondContact CB-O 3.24Å; C457-C462 PolarHBondContact N-O 3Å; C460-C462 PolarHBondContact O-N 3.43Å; C460-C462 PolarHBondContact O-SG 3.39Å; C460-C462 VanDerWaalsContact O-SG 3.38Å; C460-C462 VanDerWaalsContact SG-SG 3.61Å |
| 463 | F | 92.4 | Very high | 87.6 | Confident | 87 Ų | 87 | 71.3 Ų | 71.3 | 38% | 0.382 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 137.7 | 166.5 | -66.1 | -92.6 | 0 | 0 | 0 | 110.5 | V445 L455 K456 G461 | V445-F463 HydrophobicContact CG1-CZ 4.41Å; L455-F463 VanDerWaalsContact O-CA 3.3Å; L455-F463 WeakPolarHBondContact O-CA 3.44Å; K456-F463 HydrophobicContact CB-CD1 3.93Å; K456-F463 HydrophobicContact CB-CE1 3.72Å; K456-F463 HydrophobicContact CB-CZ 4.19Å; K456-F463 HydrophobicContact CD-CE1 3.99Å; K456-F463 HydrophobicContact CD-CE2 3.89Å; K456-F463 HydrophobicContact CD-CZ 3.52Å; K456-F463 HydrophobicContact CG-CD1 4.15Å; K456-F463 HydrophobicContact CG-CD2 4.32Å; K456-F463 HydrophobicContact CG-CE1 3.85Å; K456-F463 HydrophobicContact CG-CE2 4.03Å; K456-F463 HydrophobicContact CG-CG 4.39Å; K456-F463 HydrophobicContact CG-CZ 3.8Å; G461-F463 PolarHBondContact O-N 2.87Å |
| 464 | A | 88.7 | Confident | 88.1 | Confident | 12 Ų | 12 | 72.2 Ų | 72.2 | 10% | 0.099 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 158.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L454 L455 A466 F469 | L454-A464 WeakPolarHBondContact CA-O 3.44Å; L455-A464 PolarHBondContact N-O 3.47Å; L455-A464 PolarHBondContact O-N 3.21Å; A464-A466 PolarHBondContact O-N 2.91Å; A464-F469 HydrophobicContact CB-CE2 3.87Å; A464-F469 WeakPolarHBondContact O-CE2 3.21Å |
| 465 | P | 90.4 | Very high | 88.3 | Confident | 29 Ų | 29 | 70.2 Ų | 70.2 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 139.3 | 177.8 | -26.6 | 34.7 | 0 | 0 | 0 | 112.8 | P452 L454 S467 Q468 | P452-P465 HydrophobicContact CG-CB 4.22Å; P452-P465 HydrophobicContact CG-CG 4.39Å; L454-P465 HydrophobicContact CD2-CB 4.34Å; L454-P465 HydrophobicContact CD2-CG 3.84Å; P465-S467 PolarHBondContact O-N 3.41Å; P465-Q468 HydrophobicContact CB-CG 4.44Å; P465-Q468 WeakPolarHBondContact O-CB 3.39Å; P465-Q468 PolarHBondContact O-N 3.33Å |
| 466 | A | 86.6 | Confident | 88.4 | Confident | 29 Ų | 29 | 69 Ų | 69 | 24% | 0.24 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -18.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | P453 L455 A464 | P453-A466 HydrophobicContact CG-CB 4.33Å; P453-A466 WeakPolarHBondContact O-CB 3.48Å; P453-A466 PolarHBondContact O-N 2.85Å; L455-A466 HydrophobicContact CD1-CB 3.74Å; L455-A466 HydrophobicContact CG-CB 3.95Å; A464-A466 PolarHBondContact O-N 2.91Å |
| 467 | S | 86.3 | Confident | 88.2 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 71% | 0.713 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -23.3 | 173.3 | 52.8 | 0 | 0 | 0 | 0 | 114.4 | P465 | P465-S467 PolarHBondContact O-N 3.41Š|
| 468 | Q | 82.9 | Confident | 88 | Confident | 109 Ų | 109 | 71.1 Ų | 71.1 | 51% | 0.509 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -29.5 | 176.5 | -59.7 | -173.1 | 5.1 | 0 | 0 | 111.8 | P465 | P465-Q468 HydrophobicContact CB-CG 4.44Å; P465-Q468 WeakPolarHBondContact O-CB 3.39Å; P465-Q468 PolarHBondContact O-N 3.33Å |
| 469 | F | 90.2 | Very high | 88 | Confident | 12 Ų | 12 | 70.4 Ų | 70.4 | 5% | 0.053 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -65.6 | 131.8 | 177.3 | -81.1 | -107.3 | 0 | 0 | 0 | 111.8 | L455 C457 A464 K473 F475 C476 | L455-F469 HydrophobicContact CB-CD1 4.43Å; L455-F469 HydrophobicContact CB-CD2 4.04Å; L455-F469 HydrophobicContact CB-CE1 4.1Å; L455-F469 HydrophobicContact CB-CE2 3.69Å; L455-F469 HydrophobicContact CB-CG 4.41Å; L455-F469 HydrophobicContact CB-CZ 3.73Å; L455-F469 HydrophobicContact CD1-CB 4.46Å; L455-F469 HydrophobicContact CD1-CD1 4.45Å; L455-F469 HydrophobicContact CD1-CD2 4.36Å; L455-F469 HydrophobicContact CD1-CG 4.18Å; L455-F469 VanDerWaalsContact O-CE2 3.28Å; L455-F469 WeakPolarHBondContact O-CE2 3.39Å; L455-F469 WeakPolarHBondContact O-CZ 3.41Å; C457-F469 HydrophobicContact CB-CE1 4.28Å; C457-F469 HydrophobicContact CB-CZ 4.08Å; A464-F469 HydrophobicContact CB-CE2 3.87Å; A464-F469 WeakPolarHBondContact O-CE2 3.21Å; F469-K473 WeakPolarHBondContact CD1-O 3.15Å; F469-F475 VanDerWaalsContact CD1-O 3.3Å; F469-F475 WeakPolarHBondContact CD1-O 3.14Å; F469-C476 HydrophobicContact CE1-CB 4.46Å; F469-C476 HydrophobicContact CE2-CB 4.16Å; F469-C476 HydrophobicContact CZ-CB 4.08Å |
| 470 | R | 78.8 | Confident | 88.1 | Confident | 173 Ų | 173 | 66.7 Ų | 66.7 | 65% | 0.653 | 39% | 0.386 | S | S | * | . | | | trans | -97.9 | 124.8 | -175.5 | -61.7 | -61 | -175 | 156.8 | 0.8 | 112.1 | S472 | R470-S472 VanDerWaalsContact C-N 3.35Å; R470-S472 PolarHBondContact O-N 3.44Å; R470-S472 PolarHBondContact O-OG 3.31Å |
| 471 | G | 74.8 | Confident | 88 | Confident | 81 Ų | 81 | 65.6 Ų | 65.6 | 84% | 0.835 | 38% | 0.38 | S | S | * | . | S | Bend | trans | 60.3 | -82.8 | 168 | 0 | 0 | 0 | 0 | 0 | 114.4 | K473 | G471-K473 PolarHBondContact O-N 2.89Š|
| 472 | S | 76.7 | Confident | 88.1 | Confident | 70 Ų | 70 | 71.3 Ų | 71.3 | 49% | 0.49 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -62.6 | -12.8 | -178.6 | 65.3 | 0 | 0 | 0 | 0 | 116.4 | R470 R474 | R470-S472 VanDerWaalsContact C-N 3.35Å; R470-S472 PolarHBondContact O-N 3.44Å; R470-S472 PolarHBondContact O-OG 3.31Å; S472-R474 PolarHBondContact O-N 3.21Å |
| 473 | K | 85.9 | Confident | 88 | Confident | 143 Ų | 143 | 74.9 Ų | 74.9 | 62% | 0.622 | 40% | 0.398 | S | S | * | . | S | Bend | trans | 56.9 | 6.6 | -172.6 | -64 | -175.1 | 179.1 | -179.9 | 0 | 116.8 | L455 F469 G471 | L455-K473 HydrophobicContact CD1-CB 4.15Å; F469-K473 WeakPolarHBondContact CD1-O 3.15Å; G471-K473 PolarHBondContact O-N 2.89Å |
| 474 | R | 92.5 | Very high | 87.8 | Confident | 103 Ų | 103 | 73.4 Ų | 73.4 | 39% | 0.389 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -94.7 | -20.9 | 179.8 | -68 | 171.1 | 66 | -150.4 | 2.9 | 114.9 | E458 S472 Y484 | E458-R474 PolarHBondContact N-O 3.3Å; E458-R474 IonicContact OE1-CZ 2.81Å; E458-R474 IonicContact OE1-NH2 2.71Å; E458-R474 PolarHBondContact OE1-NH2 3.41Å; E458-R474 IonicContact OE2-CZ 2.98Å; E458-R474 IonicContact OE2-NE 3.33Å; E458-R474 PolarHBondContact OE2-NE 3.4Å; E458-R474 IonicContact OE2-NH2 2.66Å; E458-R474 PolarHBondContact OE2-NH2 3.23Å; S472-R474 PolarHBondContact O-N 3.21Å; R474-Y484 VanDerWaalsContact NH2-CZ 3.28Å; R474-Y484 PolarHBondContact NH2-OH 3.12Å |
| 475 | F | 93.9 | Very high | 87.5 | Confident | 16 Ų | 16 | 77.8 Ų | 77.8 | 7% | 0.07 | 41% | 0.413 | C | S | . | . | | | trans | -129.4 | 131.4 | -174 | -49.6 | -66.5 | 0 | 0 | 0 | 112.4 | E458 F469 S477 C480 A481 Y484 | E458-F475 HydrophobicContact CB-CE1 4.15Å; F469-F475 VanDerWaalsContact CD1-O 3.3Å; F469-F475 WeakPolarHBondContact CD1-O 3.14Å; F475-S477 PolarHBondContact O-N 3.01Å; F475-C480 HydrophobicContact CB-CB 4.12Å; F475-C480 HydrophobicContact CD1-CB 4.43Å; F475-A481 HydrophobicContact CB-CB 4.01Å; F475-A481 HydrophobicContact CD2-CB 3.54Å; F475-A481 HydrophobicContact CE2-CB 4.23Å; F475-A481 HydrophobicContact CG-CB 3.84Å; F475-Y484 HydrophobicContact CE1-CD1 4.03Å; F475-Y484 AromaticContact CE1-CD2 3.6Å; F475-Y484 HydrophobicContact CE1-CD2 3.6Å; F475-Y484 HydrophobicContact CE1-CE2 4.22Å; F475-Y484 AromaticContact CE1-CG 3.48Å; F475-Y484 HydrophobicContact CE1-CG 3.48Å; F475-Y484 VanDerWaalsContact CE1-CG 3.48Å; F475-Y484 AromaticContact CZ-CD1 3.57Å; F475-Y484 HydrophobicContact CZ-CD1 3.57Å; F475-Y484 AromaticContact CZ-CD2 3.99Å; F475-Y484 HydrophobicContact CZ-CD2 3.99Å; F475-Y484 HydrophobicContact CZ-CE1 4.06Å; F475-Y484 HydrophobicContact CZ-CE2 4.41Å; F475-Y484 AromaticContact CZ-CG 3.54Å; F475-Y484 HydrophobicContact CZ-CG 3.54Å |
| 476 | C | 92.7 | Very high | 86.9 | Confident | 32 Ų | 32 | 80.1 Ų | 80.1 | 22% | 0.216 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -69.5 | -17.3 | 176.6 | 65 | 0 | 0 | 0 | 0 | 113.4 | C457 F469 C480 | C457-C476 HydrophobicContact CB-CB 4.07Å; C457-C476 PolarHBondContact SG-N 3.02Å; C457-C476 VanDerWaalsContact SG-N 3.43Å; F469-C476 HydrophobicContact CE1-CB 4.46Å; F469-C476 HydrophobicContact CE2-CB 4.16Å; F469-C476 HydrophobicContact CZ-CB 4.08Å; C476-C480 VanDerWaalsContact SG-SG 3.68Å |
| 477 | S | 91.1 | Very high | 86.2 | Confident | 37 Ų | 37 | 82.1 Ų | 82.1 | 26% | 0.259 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -152.1 | 158 | -178.9 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | F475 T479 C480 A481 | F475-S477 PolarHBondContact O-N 3.01Å; S477-T479 PolarHBondContact O-N 3.33Å; S477-C480 WeakPolarHBondContact O-CB 3.34Å; S477-C480 PolarHBondContact O-N 3.23Å; S477-C480 WeakPolarHBondContact OG-CB 3.46Å; S477-C480 PolarHBondContact OG-N 3.09Å; S477-C480 PolarHBondContact OG-SG 3.11Å; S477-A481 PolarHBondContact O-N 3.07Å |
| 478 | N | 89.3 | Confident | 85.2 | Confident | 113 Ų | 113 | 80 Ų | 80 | 60% | 0.604 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.2 | -29.6 | 171.1 | -80.1 | -23.6 | 0 | 0 | 0 | 112.5 | K482 | N478-K482 WeakPolarHBondContact O-CB 3.29Å; N478-K482 VanDerWaalsContact O-CG 3.29Å; N478-K482 WeakPolarHBondContact O-CG 3.17Å; N478-K482 PolarHBondContact O-N 3.23Å |
| 479 | T | 91.9 | Very high | 84.5 | Confident | 84 Ų | 84 | 77.3 Ų | 77.3 | 52% | 0.515 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.2 | -45.8 | 175.5 | -51.2 | 0 | 0 | 0 | 0 | 110.8 | S477 K482 R483 | S477-T479 PolarHBondContact O-N 3.33Å; T479-K482 PolarHBondContact O-N 3.43Å; T479-R483 WeakPolarHBondContact O-CG 3.39Å; T479-R483 PolarHBondContact O-N 2.98Å |
| 480 | C | 92.9 | Very high | 83.1 | Confident | 11 Ų | 11 | 82.7 Ų | 82.7 | 7% | 0.074 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60.9 | -48.4 | 174.8 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | Y459 F475 C476 S477 K482 R483 Y484 | Y459-C480 HydrophobicContact CD1-CB 3.84Å; Y459-C480 HydrophobicContact CG-CB 4.2Å; F475-C480 HydrophobicContact CB-CB 4.12Å; F475-C480 HydrophobicContact CD1-CB 4.43Å; C476-C480 VanDerWaalsContact SG-SG 3.68Å; S477-C480 WeakPolarHBondContact O-CB 3.34Å; S477-C480 PolarHBondContact O-N 3.23Å; S477-C480 WeakPolarHBondContact OG-CB 3.46Å; S477-C480 PolarHBondContact OG-N 3.09Å; S477-C480 PolarHBondContact OG-SG 3.11Å; C480-K482 PolarHBondContact O-N 3.04Å; C480-R483 PolarHBondContact O-N 3.18Å; C480-Y484 WeakPolarHBondContact O-CB 3.45Å; C480-Y484 PolarHBondContact O-N 3.15Å |
| 481 | A | 91.5 | Very high | 82.1 | Confident | 28 Ų | 28 | 81.8 Ų | 81.8 | 23% | 0.231 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F475 S477 N485 | F475-A481 HydrophobicContact CB-CB 4.01Å; F475-A481 HydrophobicContact CD2-CB 3.54Å; F475-A481 HydrophobicContact CE2-CB 4.23Å; F475-A481 HydrophobicContact CG-CB 3.84Å; S477-A481 PolarHBondContact O-N 3.07Å; A481-N485 WeakPolarHBondContact O-CB 3.25Å; A481-N485 PolarHBondContact O-N 3.41Å |
| 482 | K | 89.8 | Confident | 81.2 | Confident | 155 Ų | 155 | 84.9 Ų | 84.9 | 67% | 0.674 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.4 | -47.8 | 176.8 | -76.7 | 177.9 | 177.8 | -174.4 | 0 | 112.1 | N478 T479 C480 N485 V486 | N478-K482 WeakPolarHBondContact O-CB 3.29Å; N478-K482 VanDerWaalsContact O-CG 3.29Å; N478-K482 WeakPolarHBondContact O-CG 3.17Å; N478-K482 PolarHBondContact O-N 3.23Å; T479-K482 PolarHBondContact O-N 3.43Å; C480-K482 PolarHBondContact O-N 3.04Å; K482-N485 PolarHBondContact O-N 2.92Å; K482-V486 WeakPolarHBondContact O-CG2 3.47Å; K482-V486 PolarHBondContact O-N 3.3Å; K482-V486 VanDerWaalsContact O-N 3.08Å |
| 483 | R | 88.3 | Confident | 80.1 | Confident | 146 Ų | 146 | 89.2 Ų | 89.2 | 55% | 0.551 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.5 | -41.9 | 179.6 | -70.5 | -174.7 | -177.5 | -170.9 | 0.1 | 111.9 | Y459 T479 C480 V486 S487 | Y459-R483 HydrophobicContact CD1-CB 4.39Å; Y459-R483 HydrophobicContact CD2-CB 4.15Å; Y459-R483 HydrophobicContact CE1-CB 3.86Å; Y459-R483 HydrophobicContact CE1-CG 4.39Å; Y459-R483 HydrophobicContact CE2-CB 3.6Å; Y459-R483 VanDerWaalsContact CZ-CB 3.47Å; Y459-R483 VanDerWaalsContact OH-CD 3.22Å; Y459-R483 WeakPolarHBondContact OH-CD 3.3Å; T479-R483 WeakPolarHBondContact O-CG 3.39Å; T479-R483 PolarHBondContact O-N 2.98Å; C480-R483 PolarHBondContact O-N 3.18Å; R483-V486 PolarHBondContact O-N 3.41Å; R483-S487 PolarHBondContact O-N 3.2Å |
| 484 | Y | 87.6 | Confident | 78.3 | Confident | 56 Ų | 56 | 86.8 Ų | 86.8 | 22% | 0.22 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 174.3 | -174.1 | -80.4 | 0 | 0 | 0 | 112.1 | E458 R474 F475 C480 V486 S487 C488 | E458-Y484 HydrophobicContact CG-CE2 4.22Å; E458-Y484 VanDerWaalsContact OE1-CE2 3.28Å; E458-Y484 WeakPolarHBondContact OE1-CE2 3.44Å; E458-Y484 VanDerWaalsContact OE1-CZ 3.24Å; E458-Y484 PolarHBondContact OE1-OH 3.37Å; R474-Y484 VanDerWaalsContact NH2-CZ 3.28Å; R474-Y484 PolarHBondContact NH2-OH 3.12Å; F475-Y484 HydrophobicContact CE1-CD1 4.03Å; F475-Y484 AromaticContact CE1-CD2 3.6Å; F475-Y484 HydrophobicContact CE1-CD2 3.6Å; F475-Y484 HydrophobicContact CE1-CE2 4.22Å; F475-Y484 AromaticContact CE1-CG 3.48Å; F475-Y484 HydrophobicContact CE1-CG 3.48Å; F475-Y484 VanDerWaalsContact CE1-CG 3.48Å; F475-Y484 AromaticContact CZ-CD1 3.57Å; F475-Y484 HydrophobicContact CZ-CD1 3.57Å; F475-Y484 AromaticContact CZ-CD2 3.99Å; F475-Y484 HydrophobicContact CZ-CD2 3.99Å; F475-Y484 HydrophobicContact CZ-CE1 4.06Å; F475-Y484 HydrophobicContact CZ-CE2 4.41Å; F475-Y484 AromaticContact CZ-CG 3.54Å; F475-Y484 HydrophobicContact CZ-CG 3.54Å; C480-Y484 WeakPolarHBondContact O-CB 3.45Å; C480-Y484 PolarHBondContact O-N 3.15Å; Y484-V486 VanDerWaalsContact C-N 3.31Å; Y484-V486 PolarHBondContact O-N 2.94Å; Y484-S487 WeakPolarHBondContact O-CB 3.44Å; Y484-S487 PolarHBondContact O-N 3.04Å; Y484-S487 VanDerWaalsContact O-N 3.1Å; Y484-C488 WeakPolarHBondContact CE1-SG 3.47Å; Y484-C488 PolarHBondContact O-N 3.33Å |
| 485 | N | 84.2 | Confident | 76.5 | Confident | 105 Ų | 105 | 85.3 Ų | 85.3 | 56% | 0.561 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.9 | -39.2 | 179.3 | -177.8 | -96.5 | 0 | 0 | 0 | 112.5 | A481 K482 S489 | A481-N485 WeakPolarHBondContact O-CB 3.25Å; A481-N485 PolarHBondContact O-N 3.41Å; K482-N485 PolarHBondContact O-N 2.92Å; N485-S489 VanDerWaalsContact O-CB 3.29Å; N485-S489 WeakPolarHBondContact O-CB 3.42Å; N485-S489 PolarHBondContact O-N 3.44Å; N485-S489 VanDerWaalsContact O-N 3.08Å; N485-S489 PolarHBondContact O-OG 3.02Å |
| 486 | V | 76.1 | Confident | 74.3 | Confident | 78 Ų | 78 | 93.7 Ų | 93.7 | 47% | 0.473 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 172.7 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | K482 R483 Y484 S489 Q490 | K482-V486 WeakPolarHBondContact O-CG2 3.47Å; K482-V486 PolarHBondContact O-N 3.3Å; K482-V486 VanDerWaalsContact O-N 3.08Å; R483-V486 PolarHBondContact O-N 3.41Å; Y484-V486 VanDerWaalsContact C-N 3.31Å; Y484-V486 PolarHBondContact O-N 2.94Å; V486-S489 WeakPolarHBondContact O-CB 3.38Å; V486-S489 PolarHBondContact O-N 3.17Å; V486-Q490 PolarHBondContact O-N 3.23Å |
| 487 | S | 73.6 | Confident | 72.2 | Confident | 70 Ų | 70 | 95.3 Ų | 95.3 | 49% | 0.49 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.8 | -52.8 | 178.7 | -165.5 | 0 | 0 | 0 | 0 | 112.2 | R483 Y484 S489 Q490 H491 | R483-S487 PolarHBondContact O-N 3.2Å; Y484-S487 WeakPolarHBondContact O-CB 3.44Å; Y484-S487 PolarHBondContact O-N 3.04Å; Y484-S487 VanDerWaalsContact O-N 3.1Å; S487-S489 PolarHBondContact O-N 3.4Å; S487-Q490 PolarHBondContact O-N 3.18Å; S487-Q490 VanDerWaalsContact O-N 3.1Å; S487-H491 PolarHBondContact O-N 3.22Å |
| 488 | C | 64.7 | Low | 70.2 | Confident | 57 Ų | 57 | 105 Ų | 105 | 39% | 0.385 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -34 | 176 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | Y484 Q490 H491 Y492 | Y484-C488 WeakPolarHBondContact CE1-SG 3.47Å; Y484-C488 PolarHBondContact O-N 3.33Å; C488-Q490 VanDerWaalsContact C-N 3.33Å; C488-Q490 PolarHBondContact O-N 2.92Å; C488-H491 PolarHBondContact O-N 3.21Å; C488-Y492 WeakPolarHBondContact O-CB 3.26Å; C488-Y492 PolarHBondContact O-N 3.48Å |
| 489 | S | 68.3 | Low | 67.8 | Low | 53 Ų | 53 | 105.6 Ų | 105.6 | 37% | 0.371 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.4 | -27.4 | 176.3 | -61.6 | 0 | 0 | 0 | 0 | 113.4 | N485 V486 S487 K493 | N485-S489 VanDerWaalsContact O-CB 3.29Å; N485-S489 WeakPolarHBondContact O-CB 3.42Å; N485-S489 PolarHBondContact O-N 3.44Å; N485-S489 VanDerWaalsContact O-N 3.08Å; N485-S489 PolarHBondContact O-OG 3.02Å; V486-S489 WeakPolarHBondContact O-CB 3.38Å; V486-S489 PolarHBondContact O-N 3.17Å; S487-S489 PolarHBondContact O-N 3.4Å; S489-K493 WeakPolarHBondContact O-CD 3.24Å; S489-K493 VanDerWaalsContact O-CG 3.28Å; S489-K493 WeakPolarHBondContact O-CG 3.43Å; S489-K493 PolarHBondContact O-N 3.36Å |
| 490 | Q | 60.3 | Low | 65.6 | Low | 126 Ų | 126 | 105.6 Ų | 105.6 | 59% | 0.589 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -75.3 | -46 | 170.2 | -69 | -175.9 | 16.6 | 0 | 0 | 110.6 | V486 S487 C488 Y492 K493 S494 | V486-Q490 PolarHBondContact O-N 3.23Å; S487-Q490 PolarHBondContact O-N 3.18Å; S487-Q490 VanDerWaalsContact O-N 3.1Å; C488-Q490 VanDerWaalsContact C-N 3.33Å; C488-Q490 PolarHBondContact O-N 2.92Å; Q490-Y492 VanDerWaalsContact C-N 3.32Å; Q490-Y492 PolarHBondContact O-N 2.74Å; Q490-K493 WeakPolarHBondContact O-CA 3.49Å; Q490-K493 WeakPolarHBondContact O-CB 3.46Å; Q490-K493 PolarHBondContact O-N 3.35Å; Q490-S494 PolarHBondContact O-N 3Å; Q490-S494 PolarHBondContact O-OG 3.03Å |
| 491 | H | 59 | Low | 62.9 | Low | 153 Ų | 153 | 109.1 Ų | 109.1 | 71% | 0.708 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -58 | -42 | 178.9 | -155.4 | -117.8 | 0 | 0 | 0 | 112.5 | S487 C488 K493 S494 S495 | S487-H491 PolarHBondContact O-N 3.22Å; C488-H491 PolarHBondContact O-N 3.21Å; H491-K493 VanDerWaalsContact C-N 3.31Å; H491-K493 PolarHBondContact O-N 3.2Å; H491-S494 PolarHBondContact O-N 2.65Å; H491-S495 PolarHBondContact O-N 2.89Å |
| 492 | Y | 54.1 | Low | 60.5 | Low | 146 Ų | 146 | 111.1 Ų | 111.1 | 57% | 0.573 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.2 | -22.1 | 174.5 | -174.8 | -97.3 | 0 | 0 | 0 | 114.2 | C488 Q490 S495 R496 | C488-Y492 WeakPolarHBondContact O-CB 3.26Å; C488-Y492 PolarHBondContact O-N 3.48Å; Q490-Y492 VanDerWaalsContact C-N 3.32Å; Q490-Y492 PolarHBondContact O-N 2.74Å; Y492-S495 PolarHBondContact O-OG 2.75Å; Y492-S495 VanDerWaalsContact O-OG 3.12Å; Y492-R496 PolarHBondContact OH-NH2 2.83Å |
| 493 | K | 54 | Low | 58.4 | Low | 161 Ų | 161 | 109.5 Ų | 109.5 | 70% | 0.7 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -80.8 | -42.3 | 174.6 | -77.7 | 175.2 | 178.6 | -175.3 | 0 | 111.6 | S489 Q490 H491 S495 R496 | S489-K493 WeakPolarHBondContact O-CD 3.24Å; S489-K493 VanDerWaalsContact O-CG 3.28Å; S489-K493 WeakPolarHBondContact O-CG 3.43Å; S489-K493 PolarHBondContact O-N 3.36Å; Q490-K493 WeakPolarHBondContact O-CA 3.49Å; Q490-K493 WeakPolarHBondContact O-CB 3.46Å; Q490-K493 PolarHBondContact O-N 3.35Å; H491-K493 VanDerWaalsContact C-N 3.31Å; H491-K493 PolarHBondContact O-N 3.2Å; K493-S495 VanDerWaalsContact C-N 3.29Å; K493-S495 PolarHBondContact O-N 3.06Å; K493-R496 PolarHBondContact O-N 3.19Å |
| 494 | S | 49.2 | Very low | 56.3 | Low | 93 Ų | 93 | 108.6 Ų | 108.6 | 65% | 0.65 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.1 | -33.6 | 177.4 | -60.1 | 0 | 0 | 0 | 0 | 112.8 | Q490 H491 R496 G497 | Q490-S494 PolarHBondContact O-N 3Å; Q490-S494 PolarHBondContact O-OG 3.03Å; H491-S494 PolarHBondContact O-N 2.65Å; S494-R496 PolarHBondContact O-N 2.86Å; S494-G497 PolarHBondContact O-N 3.48Å |
| 495 | S | 54 | Low | 53.9 | Low | 71 Ų | 71 | 113.8 Ų | 113.8 | 50% | 0.497 | 67% | 0.672 | S | S | . | * | G | 310 helix | trans | -65.8 | -17 | -179.2 | 66.7 | 0 | 0 | 0 | 0 | 114.9 | H491 Y492 K493 G497 | H491-S495 PolarHBondContact O-N 2.89Å; Y492-S495 PolarHBondContact O-OG 2.75Å; Y492-S495 VanDerWaalsContact O-OG 3.12Å; K493-S495 VanDerWaalsContact C-N 3.29Å; K493-S495 PolarHBondContact O-N 3.06Å; S495-G497 VanDerWaalsContact C-N 3.3Å |
| 496 | R | 47.7 | Very low | 52.1 | Low | 193 Ų | 193 | 114 Ų | 114 | 73% | 0.728 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -81.5 | -4.8 | 172.2 | -67 | -166.3 | -179.4 | -153.8 | 0.6 | 114 | Y492 K493 S494 | Y492-R496 PolarHBondContact OH-NH2 2.83Å; K493-R496 PolarHBondContact O-N 3.19Å; S494-R496 PolarHBondContact O-N 2.86Å |
| 497 | G | 47.8 | Very low | 50.5 | Low | 65 Ų | 65 | 116.6 Ų | 116.6 | 67% | 0.67 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -86.6 | -13.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116 | S494 S495 | S494-G497 PolarHBondContact O-N 3.48Å; S495-G497 VanDerWaalsContact C-N 3.3Å |
| 498 | R | 50.8 | Low | 48.8 | Very low | 242 Ų | 242 | 120.4 Ų | 120.4 | 91% | 0.913 | 71% | 0.713 | S | S | * | * | | | trans | -144.7 | 91.6 | -177.3 | -74.4 | -169.2 | 174.1 | -155.7 | -0.3 | 113 | | |
| 499 | S | 39.1 | Very low | 47.9 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 87% | 0.867 | 73% | 0.726 | S | S | * | * | | | trans | -137.4 | 76 | 165.6 | -66.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 500 | G | 45.4 | Very low | 46.4 | Very low | 85 Ų | 85 | 125.6 Ų | 125.6 | 88% | 0.876 | 74% | 0.743 | S | S | * | * | | | trans | -159 | 97.4 | 178 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 501 | G | 36.1 | Very low | 45.2 | Very low | 84 Ų | 84 | 127 Ų | 127 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | | | trans | 143.1 | 76.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 502 | G | 40.6 | Very low | 44 | Very low | 70 Ų | 70 | 126 Ų | 126 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 148.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 503 | P | 46.2 | Very low | 43 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 159.7 | 175 | 31.2 | -35.1 | 0 | 0 | 0 | 112.2 | | |
| 504 | P | 43.3 | Very low | 42.1 | Very low | 127 Ų | 127 | 120.7 Ų | 120.7 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 161.4 | -173.7 | 32.4 | -36.7 | 0 | 0 | 0 | 114.1 | | |
| 505 | L | 38.3 | Very low | 41.7 | Very low | 165 Ų | 165 | 125.5 Ų | 125.5 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | | | trans | -124.2 | 155.1 | 174.5 | -78.1 | 169.7 | 0 | 0 | 0 | 111.3 | | |
| 506 | P | 44.8 | Very low | 41 | Very low | 110 Ų | 110 | 132 Ų | 132 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | | | trans | -74.8 | 168.2 | -176.4 | 30.6 | -35.8 | 0 | 0 | 0 | 114.5 | | |
| 507 | P | 43 | Very low | 40.4 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | -80.3 | 170.9 | -167.4 | 32.8 | -37.8 | 0 | 0 | 0 | 115.6 | | |
| 508 | N | 37.8 | Very low | 39.6 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | | | trans | -138.4 | 138.8 | -161.6 | -176.1 | 57.9 | 0 | 0 | 0 | 113.6 | | |
| 509 | P | 47.1 | Very low | 39.2 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | | | trans | -120.2 | 156.9 | 153.9 | 39.1 | -28.1 | 0 | 0 | 0 | 111.2 | | |
| 510 | T | 35.6 | Very low | 39.5 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | | | cis | -155.5 | 151.1 | 13 | -15 | 0 | 0 | 0 | 0 | 111.9 | | |
| 511 | E | 34.8 | Very low | 39.3 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 73% | 0.729 | 79% | 0.785 | S | S | * | * | | | trans | 54.5 | 140.2 | 148.3 | -87.7 | -173.2 | 101.4 | 0 | 0 | 126.8 | | |
| 512 | N | 34.3 | Very low | 39.5 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | trans | 65.1 | 123.2 | 143.8 | -62.6 | -22.4 | 0 | 0 | 0 | 121.1 | | |
| 513 | S | 34.4 | Very low | 38.9 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | cis | 175.3 | -178.6 | 22.4 | 57.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 514 | A | 35 | Very low | 38.4 | Very low | 84 Ų | 84 | 140.7 Ų | 140.7 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | | | trans | 70.5 | 86.1 | 152.4 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 515 | K | 39.7 | Very low | 38.7 | Very low | 195 Ų | 195 | 139.1 Ų | 139.1 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | | | | 50 | 113.7 | 121.7 | -67.4 | 168.4 | -179.1 | 166.9 | 0 | 123.1 | | |
| 516 | R | 39.6 | Very low | 38.5 | Very low | 208 Ų | 208 | 138.3 Ų | 138.3 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | 72.2 | 114.8 | 130.4 | -61.7 | -160 | -159 | -88.8 | 16.8 | 123.4 | | |
| 517 | R | 34.3 | Very low | 38.1 | Very low | 216 Ų | 216 | 137.6 Ų | 137.6 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | | | | 85.1 | 70.2 | 117.5 | -156 | -163.1 | -67.4 | -124.7 | 5.7 | 122.3 | | |
| 518 | G | 31.6 | Very low | 38 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | | | trans | 72.5 | -178.4 | 142.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 519 | P | 42.8 | Very low | 37.9 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | | | cis | -117.3 | 169.8 | -5.8 | 41.2 | -29.4 | 0 | 0 | 0 | 114.5 | | |
| 520 | S | 44.6 | Very low | 37.4 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | | | trans | -97.8 | 112.9 | 178.3 | -175.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 521 | R | 40.7 | Very low | 37.4 | Very low | 219 Ų | 219 | 138 Ų | 138 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | | | trans | -160.5 | 152.7 | 166.2 | -66.8 | -162.6 | -156.5 | -95.7 | 10.2 | 106.6 | | |
| 522 | R | 40.7 | Very low | 37.3 | Very low | 223 Ų | 223 | 136.9 Ų | 136.9 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | | | cis | -168.7 | 154.3 | -2.3 | 151.4 | -164.1 | -70.6 | -94.8 | 8.7 | 107.6 | | |
| 523 | G | 27.8 | Very low | 37.2 | Very low | 67 Ų | 67 | 135.3 Ų | 135.3 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | | | trans | 95.2 | 123.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 524 | S | 36.8 | Very low | 36.9 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | cis | 80.7 | 124.7 | 12.2 | -162.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 525 | S | 48.8 | Very low | 36.7 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | | | trans | 64.9 | 119 | 144.1 | 51.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 526 | N | 35.1 | Very low | 36.2 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | | | | -156.5 | 152.7 | 107.8 | -94.6 | -12.9 | 0 | 0 | 0 | 109.5 | | |
| 527 | S | 35.4 | Very low | 35.8 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | | | cis | 81.7 | 143.6 | 36.7 | -153.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 528 | T | 41.4 | Very low | 35.6 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | | | cis | -167.3 | 166.2 | 27.6 | -32.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 529 | Y | 34.5 | Very low | 35.4 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 62% | 0.624 | 75% | 0.746 | S | S | * | * | | | trans | 85.1 | 157 | 140.2 | -124.6 | -143.6 | 0 | 0 | 0 | 121 | K531 | Y529-K531 HydrophobicContact CE1-CB 4.02Å; Y529-K531 HydrophobicContact CE1-CD 3.76Å; Y529-K531 HydrophobicContact CE1-CG 4.27Å; Y529-K531 HydrophobicContact CE2-CB 4.31Å; Y529-K531 VanDerWaalsContact OH-CD 3.29Å; Y529-K531 WeakPolarHBondContact OH-CD 3.46Å; Y529-K531 WeakPolarHBondContact OH-CE 3.5Å; Y529-K531 WeakPolarHBondContact OH-CG 3.41Å; Y529-K531 PolarHBondContact OH-NZ 3.06Å |
| 530 | S | 36.6 | Very low | 34.6 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | | | cis | -141.8 | 136.8 | 21.7 | -54.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 531 | K | 37.1 | Very low | 33.5 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 64% | 0.635 | 73% | 0.728 | S | S | * | * | | | | 75.8 | 127.2 | 94.3 | -153 | 175.8 | -157.2 | 139.4 | 0 | 114.1 | Y529 | Y529-K531 HydrophobicContact CE1-CB 4.02Å; Y529-K531 HydrophobicContact CE1-CD 3.76Å; Y529-K531 HydrophobicContact CE1-CG 4.27Å; Y529-K531 HydrophobicContact CE2-CB 4.31Å; Y529-K531 VanDerWaalsContact OH-CD 3.29Å; Y529-K531 WeakPolarHBondContact OH-CD 3.46Å; Y529-K531 WeakPolarHBondContact OH-CE 3.5Å; Y529-K531 WeakPolarHBondContact OH-CG 3.41Å; Y529-K531 PolarHBondContact OH-NZ 3.06Å |
| 532 | V | 31.8 | Very low | 32.9 | Very low | 132 Ų | 132 | 131 Ų | 131 | 80% | 0.8 | 73% | 0.726 | S | S | * | * | | | | -141.4 | 153.1 | 57.9 | -74.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 533 | S | 32.7 | Very low | 32.3 | Very low | 98 Ų | 98 | 124.9 Ų | 124.9 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | | | cis | 87.3 | 104.3 | 35.9 | -177.7 | 0 | 0 | 0 | 0 | 116.5 | | |
| 534 | S | 27.1 | Very low | 32.5 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | | | trans | -176.3 | 174.8 | 135.5 | -83.5 | 0 | 0 | 0 | 0 | 113 | | |
| 535 | K | 31.8 | Very low | 32.1 | Very low | 199 Ų | 199 | 129.8 Ų | 129.8 | 87% | 0.865 | 72% | 0.723 | S | S | * | * | | | trans | -134.6 | 141.3 | -163.1 | -46.4 | 168 | -175.7 | 173.6 | 0 | 114 | | |
| 536 | H | 30.1 | Very low | 31.4 | Very low | 173 Ų | 173 | 130.5 Ų | 130.5 | 80% | 0.801 | 73% | 0.728 | S | S | * | * | | | trans | -163.3 | 139.3 | 145.8 | -135.4 | -115.2 | 0 | 0 | 0 | 106.7 | | |
| 537 | L | 30.5 | Very low | 31.3 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | | | cis | 68.8 | 143.2 | 37.8 | -61.6 | 173.8 | 0 | 0 | 0 | 112.8 | | |
| 538 | S | 29.6 | Very low | 31.2 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | | | cis | -171.9 | -164.6 | -15.5 | -177.1 | 0 | 0 | 0 | 0 | 108 | | |
| 539 | V | 28 | Very low | 30.9 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 72% | 0.715 | 73% | 0.734 | S | S | * | * | | | trans | 106.6 | 126.5 | 144.4 | -168 | 0 | 0 | 0 | 0 | 118.3 | | |
| 540 | K | 25 | Very low | 30.8 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | | | trans | 69.1 | 133.8 | 164.1 | -98.2 | 33.3 | -174.5 | 168.7 | 0 | 116.2 | | |
| 541 | C | 22.1 | Very low | 30.7 | Very low | 85 Ų | 85 | 137.7 Ų | 137.7 | 57% | 0.574 | 75% | 0.752 | S | S | * | * | | | cis | 68.2 | 135.2 | 40.1 | -55.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 542 | H | 28.3 | Very low | 30.8 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | cis | -159.8 | -169.9 | -7.1 | -109.1 | -48.8 | 0 | 0 | 0 | 107.6 | | |
| 543 | S | 28.7 | Very low | 30.8 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | | | trans | 77 | 139.1 | 157.1 | -65.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 544 | E | 30.1 | Very low | 30.8 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | cis | -167.5 | 166.6 | -23.6 | 46.3 | -156.3 | 47.2 | 0 | 0 | 110.8 | | |
| 545 | S | 29.8 | Very low | 31.2 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | | | trans | 68.9 | 146.4 | 171.7 | -110.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 546 | S | 33.4 | Very low | 31.4 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | | | cis | -156.7 | 174.6 | -18.6 | -113.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 547 | R | 34.2 | Very low | 31.6 | Very low | 212 Ų | 212 | 134 Ų | 134 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | | | trans | -92 | 153.3 | -174.9 | -54 | 159.7 | 73.7 | 149.5 | 3.6 | 111.9 | E549 | R547-E549 IonicContact CZ-OE1 3.69Å; R547-E549 IonicContact NE-OE1 3.2Å; R547-E549 IonicContact NH2-OE1 2.61Å; R547-E549 PolarHBondContact NH2-OE1 3.02Å |
| 548 | S | 31.8 | Very low | 32 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | | | trans | -155.5 | 130 | 136.9 | 55.1 | 0 | 0 | 0 | 0 | 110 | | |
| 549 | E | 35.8 | Very low | 32.4 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | | | trans | -86.8 | 148.5 | 158.5 | -64.7 | 141 | -116.6 | 0 | 0 | 105.4 | R547 | R547-E549 IonicContact CZ-OE1 3.69Å; R547-E549 IonicContact NE-OE1 3.2Å; R547-E549 IonicContact NH2-OE1 2.61Å; R547-E549 PolarHBondContact NH2-OE1 3.02Å |
| 550 | D | 32.4 | Very low | 32.6 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | | 158.3 | 176.6 | 95.6 | -89.5 | -59.8 | 0 | 0 | 0 | 110.9 | | |
| 551 | V | 34.5 | Very low | 32.9 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | | | trans | 91 | 141.9 | 157.6 | 103.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 552 | S | 38.7 | Very low | 33.3 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | trans | -85.7 | 164.1 | 178.5 | -43.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 553 | S | 32.2 | Very low | 33.6 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | | -172 | 176.3 | 110.4 | -112.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 554 | E | 32.1 | Very low | 33.7 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | | | trans | -80.6 | -179.1 | 176.3 | 57 | -92.7 | 78.4 | 0 | 0 | 114.6 | | |
| 555 | G | 37 | Very low | 33.8 | Very low | 63 Ų | 63 | 135.4 Ų | 135.4 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | | | trans | 118.1 | 108.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 556 | E | 35.6 | Very low | 33.7 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | | | | 79 | 117 | 50.9 | -60.3 | -179.9 | 171.4 | 0 | 0 | 113.7 | | |
| 557 | E | 34.8 | Very low | 33.4 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | 64 | 154.3 | 150.6 | -60.1 | 173.3 | -159.6 | 0 | 0 | 118 | | |
| 558 | E | 37.8 | Very low | 33 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | cis | -157.7 | 179.9 | -19.2 | -107.6 | -66 | -169.4 | 0 | 0 | 107.9 | | |
| 559 | E | 37.3 | Very low | 32.8 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | | | trans | 29.6 | 128.6 | 152.8 | -58.6 | 177.4 | 149.9 | 0 | 0 | 120.1 | | |
| 560 | D | 32.6 | Very low | 32.6 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | | | | 173.8 | 168.6 | 63.1 | -166.1 | -154.9 | 0 | 0 | 0 | 114.3 | | |
| 561 | D | 31 | Very low | 32.6 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | | | trans | 46.6 | 134.3 | 156.7 | -150.1 | -141.5 | 0 | 0 | 0 | 127.2 | | |
| 562 | S | 31.7 | Very low | 32.3 | Very low | 82 Ų | 82 | 135.8 Ų | 135.8 | 57% | 0.573 | 75% | 0.75 | S | S | * | * | | | trans | 48.5 | 112.2 | 145.5 | -79.8 | 0 | 0 | 0 | 0 | 126.4 | | |
| 563 | S | 34 | Very low | 31.6 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | | | | 78.9 | 91.8 | 110.9 | -57.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 564 | S | 32 | Very low | 31.6 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | trans | 81.3 | 129.9 | 138.2 | 82 | 0 | 0 | 0 | 0 | 120.5 | | |
| 565 | L | 32 | Very low | 31.6 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | | | | -172.1 | 127.3 | 116.6 | -101.2 | 172.4 | 0 | 0 | 0 | 113.6 | | |
| 566 | S | 27.5 | Very low | 31.2 | Very low | 93 Ų | 93 | 141 Ų | 141 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | | | trans | 39 | 124.1 | 146.1 | -66 | 0 | 0 | 0 | 0 | 124 | | |
| 567 | R | 25.8 | Very low | 30.8 | Very low | 230 Ų | 230 | 141.3 Ų | 141.3 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | | | trans | 81.3 | 115.9 | 132.5 | -82.5 | -178.3 | 164.9 | 133.5 | -2.2 | 122.1 | | |
| 568 | S | 25.7 | Very low | 30.8 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | trans | 87.1 | 140.2 | 130.8 | -58.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 569 | S | 28.5 | Very low | 30.5 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | 69 | 155.5 | 160.2 | -70.1 | 0 | 0 | 0 | 0 | 117.6 | | |
| 570 | L | 30.8 | Very low | 30.3 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | | | cis | -176.9 | 118.9 | -36.7 | -116 | 170.7 | 0 | 0 | 0 | 106.3 | | |
| 571 | R | 33.5 | Very low | 31.2 | Very low | 227 Ų | 227 | 134 Ų | 134 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | | | trans | 69 | 164.4 | 170.2 | -40.2 | 172.4 | -176.4 | -154.5 | -2.1 | 113.6 | | |
| 572 | S | 28.7 | Very low | 31.8 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | | | cis | -151.7 | 143.7 | 0.6 | -143.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 573 | C | 23.9 | Very low | 31.6 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | | | trans | 27.3 | 125.3 | 148.8 | -48.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 574 | S | 32.3 | Very low | 31.6 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | | -151.3 | 111.9 | 129.7 | -84.3 | 0 | 0 | 0 | 0 | 113 | | |
| 575 | R | 30.4 | Very low | 31.4 | Very low | 237 Ų | 237 | 135.1 Ų | 135.1 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | | | trans | 32.7 | 99.9 | 136.1 | -160.2 | 178.9 | -162.5 | 170.4 | 2.8 | 117.1 | | |
| 576 | A | 28.6 | Very low | 31.4 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | | 73.2 | 114.2 | 58.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 577 | E | 28 | Very low | 31.7 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | | | trans | -155.9 | 157.6 | 155.9 | -102.4 | -58.6 | 122.6 | 0 | 0 | 109.1 | | |
| 578 | H | 35.4 | Very low | 32.3 | Very low | 161 Ų | 161 | 128.4 Ų | 128.4 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | | | trans | -78.1 | 141.3 | -154.5 | -69.6 | -111.5 | 0 | 0 | 0 | 118.4 | | |
| 579 | S | 30.6 | Very low | 32.9 | Very low | 126 Ų | 126 | 127 Ų | 127 | 88% | 0.881 | 78% | 0.775 | S | S | * | * | | | | 162.1 | 162 | 118.8 | -71.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 580 | A | 32.9 | Very low | 33.3 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | -129.1 | 174.9 | -179 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 581 | P | 51.5 | Low | 33.5 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | cis | -116.7 | -149.7 | 7.4 | 42.2 | -24.1 | 0 | 0 | 0 | 110.8 | | |
| 582 | P | 43.2 | Very low | 33.8 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | | | cis | -137.9 | -163.7 | -3.9 | 43.4 | -22.7 | 0 | 0 | 0 | 116.5 | | |
| 583 | S | 28.8 | Very low | 34.8 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | | | trans | 57.3 | 113.7 | 155.3 | -82 | 0 | 0 | 0 | 0 | 123.1 | | |
| 584 | D | 33.1 | Very low | 35.4 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | | 54.5 | 99.9 | 123.5 | -49.5 | -54.8 | 0 | 0 | 0 | 121 | | |
| 585 | S | 29.2 | Very low | 35.8 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | | 173.8 | 133 | 118.4 | -81.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 586 | S | 31.7 | Very low | 36.6 | Very low | 124 Ų | 124 | 116.6 Ų | 116.6 | 87% | 0.867 | 74% | 0.742 | S | S | * | * | | | trans | 65.3 | 146.6 | 157 | 80.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 587 | A | 32.5 | Very low | 37.5 | Very low | 88 Ų | 88 | 116.5 Ų | 116.5 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | cis | -148.3 | 150.8 | -5.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 588 | P | 39.5 | Very low | 38.5 | Very low | 128 Ų | 128 | 116.1 Ų | 116.1 | 83% | 0.831 | 73% | 0.733 | S | S | * | * | | | trans | -84.5 | 123.7 | 174.3 | 32.7 | -31.6 | 0 | 0 | 0 | 111.6 | | |
| 589 | G | 37.8 | Very low | 39.6 | Very low | 71 Ų | 71 | 110.5 Ų | 110.5 | 73% | 0.732 | 71% | 0.708 | S | S | * | * | | | trans | -134.6 | 116.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 590 | S | 37.4 | Very low | 40.7 | Very low | 123 Ų | 123 | 110.2 Ų | 110.2 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | | | trans | 60.3 | 57.1 | 176.4 | -174 | 0 | 0 | 0 | 0 | 115.4 | | |
| 591 | L | 35.2 | Very low | 42.5 | Very low | 153 Ų | 153 | 107.2 Ų | 107.2 | 80% | 0.801 | 68% | 0.681 | S | S | * | * | | | trans | -64.5 | 134.8 | 148.7 | -70.9 | -178.3 | 0 | 0 | 0 | 109 | | |
| 592 | L | 39.1 | Very low | 44.3 | Very low | 149 Ų | 149 | 105.7 Ų | 105.7 | 78% | 0.78 | 67% | 0.669 | S | S | * | * | | | trans | -61.4 | 156.4 | 163 | -174.5 | 148.7 | 0 | 0 | 0 | 108.5 | E594 | L592-E594 VanDerWaalsContact C-N 3.31Å; L592-E594 PolarHBondContact O-N 3.32Å |
| 593 | I | 48.9 | Very low | 46.7 | Very low | 130 Ų | 130 | 101.7 Ų | 101.7 | 67% | 0.667 | 64% | 0.644 | S | S | * | * | | | trans | -64.3 | 86.6 | -174.4 | -58 | 172.2 | 0 | 0 | 0 | 111.4 | G595 A596 | I593-G595 PolarHBondContact O-N 3.42Å; I593-A596 HydrophobicContact CG2-CB 4.21Å |
| 594 | E | 36.9 | Very low | 49.8 | Very low | 154 Ų | 154 | 99.2 Ų | 99.2 | 72% | 0.72 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 5.6 | 167.9 | -156.4 | 80.5 | -135.8 | 0 | 0 | 111.3 | L592 S597 | L592-E594 VanDerWaalsContact C-N 3.31Å; L592-E594 PolarHBondContact O-N 3.32Å; E594-S597 PolarHBondContact O-OG 3.28Å |
| 595 | G | 40.9 | Very low | 52.8 | Low | 38 Ų | 38 | 99 Ų | 99 | 39% | 0.392 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.8 | -14.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | I593 S597 F598 | I593-G595 PolarHBondContact O-N 3.42Å; G595-S597 PolarHBondContact O-N 3.01Å; G595-F598 PolarHBondContact O-N 3.26Å; G595-F598 VanDerWaalsContact O-N 3.13Å |
| 596 | A | 46.9 | Very low | 56 | Low | 72 Ų | 72 | 94.3 Ų | 94.3 | 60% | 0.595 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -16.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I593 F598 | I593-A596 HydrophobicContact CG2-CB 4.21Å; A596-F598 VanDerWaalsContact C-N 3.34Å |
| 597 | S | 48.3 | Very low | 59.1 | Low | 87 Ų | 87 | 90.6 Ų | 90.6 | 61% | 0.608 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -16.8 | 174.4 | 49.3 | 0 | 0 | 0 | 0 | 114.2 | E594 G595 | E594-S597 PolarHBondContact O-OG 3.28Å; G595-S597 PolarHBondContact O-N 3.01Å |
| 598 | F | 49.1 | Very low | 62.2 | Low | 169 Ų | 169 | 87.8 Ų | 87.8 | 74% | 0.741 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -85.2 | -18.7 | 179.4 | -81.4 | -87.9 | 0 | 0 | 0 | 113.9 | G595 A596 S600 | G595-F598 PolarHBondContact O-N 3.26Å; G595-F598 VanDerWaalsContact O-N 3.13Å; A596-F598 VanDerWaalsContact C-N 3.34Å; F598-S600 PolarHBondContact O-N 2.82Å |
| 599 | L | 57.7 | Low | 65 | Low | 43 Ų | 43 | 86.9 Ų | 86.9 | 23% | 0.225 | 52% | 0.521 | C | S | . | . | | | trans | -100 | 64.3 | 179.8 | -60.8 | 177.7 | 0 | 0 | 0 | 109.7 | A601 W606 E610 | L599-A601 PolarHBondContact O-N 3.21Å; L599-W606 HydrophobicContact CB-CZ2 3.94Å; L599-W606 HydrophobicContact CD1-CD2 4.47Å; L599-W606 HydrophobicContact CD1-CH2 3.73Å; L599-W606 HydrophobicContact CD1-CZ2 3.56Å; L599-W606 HydrophobicContact CD1-CZ3 4.27Å; L599-W606 HydrophobicContact CG-CZ2 4.28Å; L599-E610 HydrophobicContact CD2-CB 3.83Å; L599-E610 HydrophobicContact CD2-CG 3.89Å |
| 600 | S | 54.8 | Low | 67.8 | Low | 120 Ų | 120 | 85.4 Ų | 85.4 | 84% | 0.839 | 50% | 0.495 | S | S | * | . | | | trans | -71.4 | -9.1 | -179.8 | -173.6 | 0 | 0 | 0 | 0 | 113.8 | F598 | F598-S600 PolarHBondContact O-N 2.82Š|
| 601 | A | 70.8 | Confident | 70.6 | Confident | 31 Ų | 31 | 79.6 Ų | 79.6 | 26% | 0.256 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -87.9 | 148.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L599 Q605 W606 | L599-A601 PolarHBondContact O-N 3.21Å; A601-Q605 HydrophobicContact CB-CB 4.13Å; A601-W606 PolarHBondContact O-NE1 2.98Å |
| 602 | T | 89.2 | Confident | 73.6 | Confident | 87 Ų | 87 | 73 Ų | 73 | 53% | 0.534 | 42% | 0.421 | S | S | . | . | | | trans | -59.2 | 144.6 | 173 | -54.3 | 0 | 0 | 0 | 0 | 109.7 | A604 Q605 | T602-A604 PolarHBondContact O-N 2.66Å; T602-Q605 WeakPolarHBondContact O-CA 3.28Å; T602-Q605 WeakPolarHBondContact O-CB 3.42Å; T602-Q605 PolarHBondContact O-N 3.39Å |
| 603 | P | 92.8 | Very high | 76.3 | Confident | 28 Ų | 28 | 72.2 Ų | 72.2 | 18% | 0.182 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -52.6 | -30.6 | -177.8 | -31 | 36.9 | 0 | 0 | 0 | 115.6 | Q605 W606 G635 L639 L667 | P603-Q605 PolarHBondContact O-N 2.99Å; P603-W606 HydrophobicContact CB-CD2 4.34Å; P603-W606 HydrophobicContact CB-CH2 4.34Å; P603-W606 HydrophobicContact CB-CZ2 4.1Å; P603-W606 HydrophobicContact CG-CH2 4.27Å; P603-W606 HydrophobicContact CG-CZ2 3.82Å; P603-W606 PolarHBondContact O-N 3.21Å; P603-G635 CarbonylContact O-C 3.48Å; P603-G635 WeakPolarHBondContact O-CA 3.3Å; P603-L639 HydrophobicContact CB-CD1 4.2Å; P603-L639 HydrophobicContact CB-CD2 4.26Å; P603-L667 HydrophobicContact CB-CB 4.22Å; P603-L667 HydrophobicContact CB-CD1 4.43Å; P603-L667 HydrophobicContact CG-CB 4.13Å; P603-L667 HydrophobicContact CG-CD2 4.21Å |
| 604 | A | 94.6 | Very high | 78.6 | Confident | 40 Ų | 40 | 67 Ų | 67 | 33% | 0.331 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -73.2 | 2.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | T602 Q636 L639 | T602-A604 PolarHBondContact O-N 2.66Å; A604-Q636 WeakPolarHBondContact O-CG 3.07Å; A604-Q636 PolarHBondContact O-NE2 2.97Å; A604-L639 HydrophobicContact CB-CD1 3.75Å |
| 605 | Q | 95.1 | Very high | 81.5 | Confident | 133 Ų | 133 | 59.7 Ų | 59.7 | 62% | 0.621 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -119 | -1.8 | 179.3 | -63 | 176.5 | -31.2 | 0 | 0 | 112.5 | A601 T602 P603 | A601-Q605 HydrophobicContact CB-CB 4.13Å; T602-Q605 WeakPolarHBondContact O-CA 3.28Å; T602-Q605 WeakPolarHBondContact O-CB 3.42Å; T602-Q605 PolarHBondContact O-N 3.39Å; P603-Q605 PolarHBondContact O-N 2.99Å |
| 606 | W | 96.4 | Very high | 84.2 | Confident | 12 Ų | 12 | 60.2 Ų | 60.2 | 5% | 0.045 | 35% | 0.347 | C | S | . | . | | | trans | -65.4 | 137.2 | -177 | -68.9 | -6.5 | 0 | 0 | 0 | 112 | L599 A601 P603 E610 V611 F614 G635 L638 L667 | L599-W606 HydrophobicContact CB-CZ2 3.94Å; L599-W606 HydrophobicContact CD1-CD2 4.47Å; L599-W606 HydrophobicContact CD1-CH2 3.73Å; L599-W606 HydrophobicContact CD1-CZ2 3.56Å; L599-W606 HydrophobicContact CD1-CZ3 4.27Å; L599-W606 HydrophobicContact CG-CZ2 4.28Å; A601-W606 PolarHBondContact O-NE1 2.98Å; P603-W606 HydrophobicContact CB-CD2 4.34Å; P603-W606 HydrophobicContact CB-CH2 4.34Å; P603-W606 HydrophobicContact CB-CZ2 4.1Å; P603-W606 HydrophobicContact CG-CH2 4.27Å; P603-W606 HydrophobicContact CG-CZ2 3.82Å; P603-W606 PolarHBondContact O-N 3.21Å; W606-E610 VanDerWaalsContact CA-OE2 3.31Å; W606-E610 WeakPolarHBondContact CA-OE2 3.48Å; W606-E610 HydrophobicContact CB-CB 3.87Å; W606-E610 HydrophobicContact CG-CB 4.2Å; W606-V611 HydrophobicContact CB-CG2 4.19Å; W606-V611 HydrophobicContact CE3-CG2 4.47Å; W606-F614 HydrophobicContact CE3-CB 4.44Å; W606-F614 HydrophobicContact CH2-CD2 4.08Å; W606-F614 HydrophobicContact CH2-CG 4.31Å; W606-F614 HydrophobicContact CZ3-CB 3.87Å; W606-F614 HydrophobicContact CZ3-CD1 4.11Å; W606-F614 AromaticContact CZ3-CD2 3.93Å; W606-F614 HydrophobicContact CZ3-CD2 3.93Å; W606-F614 AromaticContact CZ3-CG 3.69Å; W606-F614 HydrophobicContact CZ3-CG 3.69Å; W606-G635 PolarHBondContact O-N 2.89Å; W606-L638 HydrophobicContact CE3-CD2 4.15Å; W606-L638 HydrophobicContact CZ3-CD2 4.17Å; W606-L667 HydrophobicContact CH2-CD1 3.53Å; W606-L667 HydrophobicContact CH2-CD2 3.69Å; W606-L667 HydrophobicContact CH2-CG 4.26Å; W606-L667 HydrophobicContact CZ2-CD2 4.39Å; W606-L667 HydrophobicContact CZ3-CD1 3.48Å; W606-L667 VanDerWaalsContact CZ3-CD1 3.48Å; W606-L667 HydrophobicContact CZ3-CD2 4.5Å |
| 607 | S | 97 | Very high | 86.5 | Confident | 46 Ų | 46 | 60.7 Ų | 60.7 | 32% | 0.322 | 35% | 0.346 | S | S | . | . | | | trans | -70.6 | 166.8 | 170.2 | 85.9 | 0 | 0 | 0 | 0 | 111.7 | E609 E610 V611 | S607-E609 WeakPolarHBondContact CB-OE2 3.48Å; S607-E609 PolarHBondContact O-N 3.45Å; S607-E609 PolarHBondContact OG-N 2.93Å; S607-E609 PolarHBondContact OG-OE2 3.2Å; S607-E610 PolarHBondContact N-OE2 3.19Å; S607-E610 WeakPolarHBondContact O-CB 3.45Å; S607-E610 PolarHBondContact O-N 2.91Å; S607-E610 PolarHBondContact OG-N 3.01Å; S607-V611 PolarHBondContact O-N 3.25Å |
| 608 | V | 97.8 | Very high | 88.7 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.2 | -37.5 | 175.6 | -172.8 | 0 | 0 | 0 | 0 | 110.7 | E610 V611 C612 L629 D634 | V608-E610 VanDerWaalsContact C-N 3.34Å; V608-E610 PolarHBondContact O-N 3.48Å; V608-V611 PolarHBondContact O-N 3.42Å; V608-C612 WeakPolarHBondContact O-CB 3.42Å; V608-C612 PolarHBondContact O-N 3.18Å; V608-C612 PolarHBondContact O-SG 3.26Å; V608-L629 HydrophobicContact CG1-CD1 3.82Å; V608-D634 HydrophobicContact CG2-CB 4.24Å |
| 609 | E | 97.4 | Very high | 90.9 | Very high | 108 Ų | 108 | 58.2 Ų | 58.2 | 51% | 0.505 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.4 | -32.1 | 175.9 | -54.7 | 80.2 | -177.7 | 0 | 0 | 112.9 | S607 K613 | S607-E609 WeakPolarHBondContact CB-OE2 3.48Å; S607-E609 PolarHBondContact O-N 3.45Å; S607-E609 PolarHBondContact OG-N 2.93Å; S607-E609 PolarHBondContact OG-OE2 3.2Å; E609-K613 WeakPolarHBondContact O-CD 3.33Å; E609-K613 WeakPolarHBondContact O-CG 3.09Å; E609-K613 PolarHBondContact O-N 3.45Å |
| 610 | E | 96.8 | Very high | 92.5 | Very high | 41 Ų | 41 | 59 Ų | 59 | 19% | 0.192 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -73.7 | -41.1 | 175 | -70.5 | -179.7 | 129.4 | 0 | 0 | 111.6 | L599 W606 S607 V608 C612 K613 F614 | L599-E610 HydrophobicContact CD2-CB 3.83Å; L599-E610 HydrophobicContact CD2-CG 3.89Å; W606-E610 VanDerWaalsContact CA-OE2 3.31Å; W606-E610 WeakPolarHBondContact CA-OE2 3.48Å; W606-E610 HydrophobicContact CB-CB 3.87Å; W606-E610 HydrophobicContact CG-CB 4.2Å; S607-E610 PolarHBondContact N-OE2 3.19Å; S607-E610 WeakPolarHBondContact O-CB 3.45Å; S607-E610 PolarHBondContact O-N 2.91Å; S607-E610 PolarHBondContact OG-N 3.01Å; V608-E610 VanDerWaalsContact C-N 3.34Å; V608-E610 PolarHBondContact O-N 3.48Å; E610-C612 VanDerWaalsContact C-N 3.32Å; E610-C612 PolarHBondContact O-N 3.36Å; E610-K613 PolarHBondContact O-N 2.97Å; E610-F614 WeakPolarHBondContact O-CB 3.41Å; E610-F614 PolarHBondContact O-N 3.4Å |
| 611 | V | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 168.9 | 172.7 | 0 | 0 | 0 | 0 | 111 | W606 S607 V608 F614 I615 F628 I633 D634 L638 | W606-V611 HydrophobicContact CB-CG2 4.19Å; W606-V611 HydrophobicContact CE3-CG2 4.47Å; S607-V611 PolarHBondContact O-N 3.25Å; V608-V611 PolarHBondContact O-N 3.42Å; V611-F614 WeakPolarHBondContact O-CB 3.42Å; V611-F614 PolarHBondContact O-N 3.01Å; V611-I615 HydrophobicContact CG1-CG1 4.36Å; V611-I615 WeakPolarHBondContact O-CG1 3.46Å; V611-I615 PolarHBondContact O-N 3.25Å; V611-F628 HydrophobicContact CG1-CB 4.42Å; V611-F628 HydrophobicContact CG1-CD1 3.8Å; V611-F628 HydrophobicContact CG1-CG 4.48Å; V611-I633 WeakPolarHBondContact CB-O 3.22Å; V611-I633 HydrophobicContact CG1-CG2 4.32Å; V611-I633 WeakPolarHBondContact CG1-O 3.17Å; V611-D634 VanDerWaalsContact CG2-C 3.49Å; V611-L638 HydrophobicContact CG1-CB 4.41Å; V611-L638 HydrophobicContact CG1-CD1 4.07Å; V611-L638 HydrophobicContact CG1-CD2 4.11Å; V611-L638 HydrophobicContact CG1-CG 4.42Å; V611-L638 HydrophobicContact CG2-CB 4.23Å; V611-L638 HydrophobicContact CG2-CD2 3.98Å |
| 612 | C | 97.3 | Very high | 95.6 | Very high | 16 Ų | 16 | 58.8 Ų | 58.8 | 11% | 0.108 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63 | -45.4 | 177.3 | -68.6 | 0 | 0 | 0 | 0 | 112 | V608 E610 F614 I615 S616 A625 L629 | V608-C612 WeakPolarHBondContact O-CB 3.42Å; V608-C612 PolarHBondContact O-N 3.18Å; V608-C612 PolarHBondContact O-SG 3.26Å; E610-C612 VanDerWaalsContact C-N 3.32Å; E610-C612 PolarHBondContact O-N 3.36Å; C612-F614 VanDerWaalsContact C-N 3.3Å; C612-F614 PolarHBondContact O-N 3.33Å; C612-I615 PolarHBondContact O-N 3.17Å; C612-S616 WeakPolarHBondContact O-CB 3.43Å; C612-S616 PolarHBondContact O-N 3.41Å; C612-S616 PolarHBondContact O-OG 3.09Å; C612-A625 HydrophobicContact CB-CB 4.34Å; C612-A625 WeakPolarHBondContact O-CB 3.42Å; C612-A625 PolarHBondContact SG-O 3.38Å; C612-A625 VanDerWaalsContact SG-O 3.35Å; C612-L629 VanDerWaalsContact SG-CB 3.59Å; C612-L629 PolarHBondContact SG-N 3.07Å |
| 613 | K | 96.5 | Very high | 95.9 | Very high | 132 Ų | 132 | 63.4 Ų | 63.4 | 57% | 0.574 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.7 | -41.4 | 173.3 | -69.9 | 160.6 | -162.6 | 160.7 | 0 | 111.8 | E609 E610 S616 S617 | E609-K613 WeakPolarHBondContact O-CD 3.33Å; E609-K613 WeakPolarHBondContact O-CG 3.09Å; E609-K613 PolarHBondContact O-N 3.45Å; E610-K613 PolarHBondContact O-N 2.97Å; K613-S616 PolarHBondContact O-N 2.99Å; K613-S617 PolarHBondContact O-N 3.32Å |
| 614 | F | 96.7 | Very high | 96 | Very high | 21 Ų | 21 | 63.5 Ų | 63.5 | 9% | 0.092 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.1 | -51.9 | 175.7 | 167.7 | -105.3 | 0 | 0 | 0 | 111.4 | W606 E610 V611 C612 S616 S617 L618 L638 L667 | W606-F614 HydrophobicContact CE3-CB 4.44Å; W606-F614 HydrophobicContact CH2-CD2 4.08Å; W606-F614 HydrophobicContact CH2-CG 4.31Å; W606-F614 HydrophobicContact CZ3-CB 3.87Å; W606-F614 HydrophobicContact CZ3-CD1 4.11Å; W606-F614 AromaticContact CZ3-CD2 3.93Å; W606-F614 HydrophobicContact CZ3-CD2 3.93Å; W606-F614 AromaticContact CZ3-CG 3.69Å; W606-F614 HydrophobicContact CZ3-CG 3.69Å; E610-F614 WeakPolarHBondContact O-CB 3.41Å; E610-F614 PolarHBondContact O-N 3.4Å; V611-F614 WeakPolarHBondContact O-CB 3.42Å; V611-F614 PolarHBondContact O-N 3.01Å; C612-F614 VanDerWaalsContact C-N 3.3Å; C612-F614 PolarHBondContact O-N 3.33Å; F614-S616 VanDerWaalsContact C-N 3.33Å; F614-S616 PolarHBondContact O-N 3.33Å; F614-S617 WeakPolarHBondContact O-CB 3.44Å; F614-S617 PolarHBondContact O-N 3.41Å; F614-S617 PolarHBondContact O-OG 3.12Å; F614-L618 HydrophobicContact CE1-CD1 4.25Å; F614-L618 HydrophobicContact CE2-CD2 4.3Å; F614-L618 HydrophobicContact CZ-CD1 4.3Å; F614-L618 HydrophobicContact CZ-CD2 4.4Å; F614-L618 PolarHBondContact O-N 3.39Å; F614-L638 HydrophobicContact CD1-CD2 3.97Å; F614-L638 HydrophobicContact CE1-CD2 4.1Å; F614-L667 HydrophobicContact CD1-CD1 4.47Å; F614-L667 HydrophobicContact CD2-CD1 4.38Å; F614-L667 HydrophobicContact CE1-CD1 3.88Å; F614-L667 HydrophobicContact CE2-CD1 3.78Å; F614-L667 HydrophobicContact CE2-CD2 4.34Å; F614-L667 HydrophobicContact CE2-CG 4.28Å; F614-L667 HydrophobicContact CZ-CD1 3.49Å; F614-L667 VanDerWaalsContact CZ-CD1 3.49Å; F614-L667 HydrophobicContact CZ-CG 4.16Å |
| 615 | I | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61 | -40.7 | 177.4 | -63.2 | -64 | 0 | 0 | 0 | 111.3 | V611 C612 S617 L618 C621 L624 A625 F628 L638 I660 | V611-I615 HydrophobicContact CG1-CG1 4.36Å; V611-I615 WeakPolarHBondContact O-CG1 3.46Å; V611-I615 PolarHBondContact O-N 3.25Å; C612-I615 PolarHBondContact O-N 3.17Å; I615-S617 VanDerWaalsContact C-N 3.26Å; I615-S617 PolarHBondContact O-N 3.49Å; I615-L618 HydrophobicContact CD1-CD1 4.19Å; I615-L618 WeakPolarHBondContact O-CB 3.2Å; I615-L618 PolarHBondContact O-N 3.01Å; I615-L618 VanDerWaalsContact O-N 3.12Å; I615-C621 HydrophobicContact CG2-CB 4.39Å; I615-L624 HydrophobicContact CG2-CB 4.22Å; I615-A625 HydrophobicContact CB-CB 4.3Å; I615-A625 HydrophobicContact CG2-CB 4.16Å; I615-F628 HydrophobicContact CD1-CD1 4.28Å; I615-F628 HydrophobicContact CD1-CD2 4.47Å; I615-F628 HydrophobicContact CD1-CE1 3.86Å; I615-F628 HydrophobicContact CD1-CE2 4.08Å; I615-F628 HydrophobicContact CD1-CZ 3.77Å; I615-F628 HydrophobicContact CG1-CD1 3.9Å; I615-F628 HydrophobicContact CG1-CD2 4.01Å; I615-F628 HydrophobicContact CG1-CE1 4Å; I615-F628 HydrophobicContact CG1-CE2 4.13Å; I615-F628 HydrophobicContact CG1-CG 3.92Å; I615-F628 HydrophobicContact CG1-CZ 4.14Å; I615-F628 HydrophobicContact CG2-CD2 4.08Å; I615-F628 HydrophobicContact CG2-CE2 4.2Å; I615-L638 HydrophobicContact CD1-CD1 4.46Å; I615-I660 HydrophobicContact CD1-CD1 4.4Å; I615-I660 HydrophobicContact CD1-CG1 4.19Å; I615-I660 HydrophobicContact CD1-CG2 3.86Å |
| 616 | S | 96.9 | Very high | 96.2 | Very high | 49 Ų | 49 | 58.7 Ų | 58.7 | 34% | 0.343 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.2 | -31.4 | 173.9 | -69.6 | 0 | 0 | 0 | 0 | 113.6 | C612 K613 F614 L618 A625 | C612-S616 WeakPolarHBondContact O-CB 3.43Å; C612-S616 PolarHBondContact O-N 3.41Å; C612-S616 PolarHBondContact O-OG 3.09Å; K613-S616 PolarHBondContact O-N 2.99Å; F614-S616 VanDerWaalsContact C-N 3.33Å; F614-S616 PolarHBondContact O-N 3.33Å; S616-L618 VanDerWaalsContact C-N 3.26Å; S616-L618 PolarHBondContact O-N 2.97Å; S616-A625 WeakPolarHBondContact OG-CB 3.32Å |
| 617 | S | 95.8 | Very high | 96.2 | Very high | 82 Ų | 82 | 61 Ų | 61 | 57% | 0.573 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -72.2 | -17 | 176.8 | 80.8 | 0 | 0 | 0 | 0 | 113.9 | K613 F614 I615 Q619 | K613-S617 PolarHBondContact O-N 3.32Å; F614-S617 WeakPolarHBondContact O-CB 3.44Å; F614-S617 PolarHBondContact O-N 3.41Å; F614-S617 PolarHBondContact O-OG 3.12Å; I615-S617 VanDerWaalsContact C-N 3.26Å; I615-S617 PolarHBondContact O-N 3.49Å; S617-Q619 PolarHBondContact O-N 2.84Å |
| 618 | L | 95.6 | Very high | 96.2 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 12% | 0.12 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -79.8 | 120.7 | -178.8 | -57.6 | -177.1 | 0 | 0 | 0 | 110.6 | F614 I615 S616 G620 C621 I660 S663 | F614-L618 HydrophobicContact CE1-CD1 4.25Å; F614-L618 HydrophobicContact CE2-CD2 4.3Å; F614-L618 HydrophobicContact CZ-CD1 4.3Å; F614-L618 HydrophobicContact CZ-CD2 4.4Å; F614-L618 PolarHBondContact O-N 3.39Å; I615-L618 HydrophobicContact CD1-CD1 4.19Å; I615-L618 WeakPolarHBondContact O-CB 3.2Å; I615-L618 PolarHBondContact O-N 3.01Å; I615-L618 VanDerWaalsContact O-N 3.12Å; S616-L618 VanDerWaalsContact C-N 3.26Å; S616-L618 PolarHBondContact O-N 2.97Å; L618-G620 PolarHBondContact O-N 3.36Å; L618-C621 HydrophobicContact CB-CB 3.95Å; L618-C621 WeakPolarHBondContact O-CB 3.42Å; L618-C621 PolarHBondContact O-N 3.38Å; L618-I660 HydrophobicContact CD1-CG1 4.09Å; L618-S663 WeakPolarHBondContact CD2-OG 3.48Å |
| 619 | Q | 93.8 | Very high | 96.2 | Very high | 180 Ų | 180 | 61.8 Ų | 61.8 | 84% | 0.841 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 112.7 | -171.3 | -169 | -177.2 | 21.8 | 0 | 0 | 112.9 | S617 K659 | S617-Q619 PolarHBondContact O-N 2.84Å; Q619-K659 PolarHBondContact O-NZ 3.29Å |
| 620 | G | 92.3 | Very high | 96.2 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 63% | 0.629 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 33.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | L618 | L618-G620 PolarHBondContact O-N 3.36Š|
| 621 | C | 94.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.014 | 35% | 0.352 | C | S | . | . | | | trans | -125 | 6.9 | 168.9 | -48.7 | 0 | 0 | 0 | 0 | 112.2 | I615 L618 E623 L624 | I615-C621 HydrophobicContact CG2-CB 4.39Å; L618-C621 HydrophobicContact CB-CB 3.95Å; L618-C621 WeakPolarHBondContact O-CB 3.42Å; L618-C621 PolarHBondContact O-N 3.38Å; C621-E623 PolarHBondContact O-N 3.02Å; C621-L624 HydrophobicContact CB-CD1 4.15Å; C621-L624 WeakPolarHBondContact O-CA 3.41Å; C621-L624 VanDerWaalsContact O-CB 3.24Å; C621-L624 WeakPolarHBondContact O-CB 3.34Å; C621-L624 PolarHBondContact O-N 3.1Å |
| 622 | E | 95.6 | Very high | 96.2 | Very high | 144 Ų | 144 | 71.4 Ų | 71.4 | 67% | 0.673 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -57.6 | -45.4 | -172.4 | -171 | 174.6 | -177.7 | 0 | 0 | 113.5 | L624 A625 | E622-L624 PolarHBondContact O-N 3.1Å; E622-L624 VanDerWaalsContact O-N 3.15Å; E622-A625 WeakPolarHBondContact O-CB 3.29Å; E622-A625 PolarHBondContact O-N 2.95Å |
| 623 | E | 95.4 | Very high | 96.2 | Very high | 184 Ų | 184 | 71.2 Ų | 71.2 | 86% | 0.86 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -59.5 | -23.6 | 174.9 | -61.3 | 175 | 171.3 | 0 | 0 | 113.2 | C621 | C621-E623 PolarHBondContact O-N 3.02Š|
| 624 | L | 96.1 | Very high | 96.2 | Very high | 30 Ų | 30 | 67.7 Ų | 67.7 | 16% | 0.157 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -80.6 | -19.9 | -177.8 | -52 | 178.8 | 0 | 0 | 0 | 112.4 | I615 C621 E622 A626 Q627 F628 I652 P656 I660 | I615-L624 HydrophobicContact CG2-CB 4.22Å; C621-L624 HydrophobicContact CB-CD1 4.15Å; C621-L624 WeakPolarHBondContact O-CA 3.41Å; C621-L624 VanDerWaalsContact O-CB 3.24Å; C621-L624 WeakPolarHBondContact O-CB 3.34Å; C621-L624 PolarHBondContact O-N 3.1Å; E622-L624 PolarHBondContact O-N 3.1Å; E622-L624 VanDerWaalsContact O-N 3.15Å; L624-A626 VanDerWaalsContact C-N 3.28Å; L624-A626 PolarHBondContact O-N 2.96Å; L624-Q627 WeakPolarHBondContact O-CA 3.08Å; L624-Q627 WeakPolarHBondContact O-CB 3.43Å; L624-Q627 PolarHBondContact O-N 3.5Å; L624-F628 WeakPolarHBondContact O-CD2 3.48Å; L624-F628 PolarHBondContact O-N 3.19Å; L624-I652 HydrophobicContact CD1-CD1 4.44Å; L624-I652 HydrophobicContact CD1-CG2 3.79Å; L624-I652 HydrophobicContact CD2-CG1 4.35Å; L624-P656 HydrophobicContact CD1-CB 3.73Å; L624-I660 HydrophobicContact CD1-CD1 3.85Å |
| 625 | A | 96.7 | Very high | 96.3 | Very high | 6 Ų | 6 | 66.7 Ų | 66.7 | 5% | 0.05 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.7 | -36.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C612 I615 S616 E622 Q627 F628 L629 | C612-A625 HydrophobicContact CB-CB 4.34Å; C612-A625 WeakPolarHBondContact O-CB 3.42Å; C612-A625 PolarHBondContact SG-O 3.38Å; C612-A625 VanDerWaalsContact SG-O 3.35Å; I615-A625 HydrophobicContact CB-CB 4.3Å; I615-A625 HydrophobicContact CG2-CB 4.16Å; S616-A625 WeakPolarHBondContact OG-CB 3.32Å; E622-A625 WeakPolarHBondContact O-CB 3.29Å; E622-A625 PolarHBondContact O-N 2.95Å; A625-Q627 PolarHBondContact O-N 2.95Å; A625-F628 PolarHBondContact O-N 2.61Å; A625-F628 VanDerWaalsContact O-N 3.13Å; A625-L629 PolarHBondContact O-N 3.18Å |
| 626 | A | 96 | Very high | 96.2 | Very high | 66 Ų | 66 | 72.4 Ų | 72.4 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.7 | -24.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | L624 S630 | L624-A626 VanDerWaalsContact C-N 3.28Å; L624-A626 PolarHBondContact O-N 2.96Å; A626-S630 WeakPolarHBondContact O-CB 3.49Å; A626-S630 PolarHBondContact O-N 3.43Å; A626-S630 PolarHBondContact O-OG 2.88Å |
| 627 | Q | 96.1 | Very high | 96.3 | Very high | 61 Ų | 61 | 71.7 Ų | 71.7 | 29% | 0.285 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -81.7 | -30.7 | 176.6 | -153.8 | 173.4 | 23.4 | 0 | 0 | 112.5 | L624 A625 S630 Q631 M650 | L624-Q627 WeakPolarHBondContact O-CA 3.08Å; L624-Q627 WeakPolarHBondContact O-CB 3.43Å; L624-Q627 PolarHBondContact O-N 3.5Å; A625-Q627 PolarHBondContact O-N 2.95Å; Q627-S630 WeakPolarHBondContact CA-OG 3.48Å; Q627-Q631 WeakPolarHBondContact O-CB 3.28Å; Q627-Q631 VanDerWaalsContact O-CG 3.24Å; Q627-Q631 WeakPolarHBondContact O-CG 3.45Å; Q627-Q631 PolarHBondContact O-N 3Å; Q627-M650 HydrophobicContact CB-CE 4.22Å; Q627-M650 VanDerWaalsContact CD-O 3.25Å; Q627-M650 HydrophobicContact CG-CE 4.07Å; Q627-M650 PolarHBondContact NE2-O 3.48Å; Q627-M650 WeakPolarHBondContact O-CE 3.41Å; Q627-M650 PolarHBondContact OE1-O 2.71Å |
| 628 | F | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.2 | -39.5 | 168.1 | -78.3 | -108.4 | 0 | 0 | 0 | 111 | V611 I615 L624 A625 Q631 E632 I633 L638 L641 L646 M650 I652 I660 | V611-F628 HydrophobicContact CG1-CB 4.42Å; V611-F628 HydrophobicContact CG1-CD1 3.8Å; V611-F628 HydrophobicContact CG1-CG 4.48Å; I615-F628 HydrophobicContact CD1-CD1 4.28Å; I615-F628 HydrophobicContact CD1-CD2 4.47Å; I615-F628 HydrophobicContact CD1-CE1 3.86Å; I615-F628 HydrophobicContact CD1-CE2 4.08Å; I615-F628 HydrophobicContact CD1-CZ 3.77Å; I615-F628 HydrophobicContact CG1-CD1 3.9Å; I615-F628 HydrophobicContact CG1-CD2 4.01Å; I615-F628 HydrophobicContact CG1-CE1 4Å; I615-F628 HydrophobicContact CG1-CE2 4.13Å; I615-F628 HydrophobicContact CG1-CG 3.92Å; I615-F628 HydrophobicContact CG1-CZ 4.14Å; I615-F628 HydrophobicContact CG2-CD2 4.08Å; I615-F628 HydrophobicContact CG2-CE2 4.2Å; L624-F628 WeakPolarHBondContact O-CD2 3.48Å; L624-F628 PolarHBondContact O-N 3.19Å; A625-F628 PolarHBondContact O-N 2.61Å; A625-F628 VanDerWaalsContact O-N 3.13Å; F628-Q631 PolarHBondContact O-N 3.36Å; F628-E632 PolarHBondContact O-N 2.89Å; F628-I633 HydrophobicContact CB-CB 4.48Å; F628-I633 HydrophobicContact CD1-CB 4.04Å; F628-I633 HydrophobicContact CD1-CD1 3.77Å; F628-I633 HydrophobicContact CD1-CG1 4.46Å; F628-I633 HydrophobicContact CD1-CG2 3.91Å; F628-I633 HydrophobicContact CE1-CD1 4.15Å; F628-I633 HydrophobicContact CE1-CG2 4.39Å; F628-I633 HydrophobicContact CG-CD1 4.24Å; F628-I633 PolarHBondContact O-N 2.73Å; F628-I633 VanDerWaalsContact O-N 3.11Å; F628-L638 HydrophobicContact CD1-CD1 4.36Å; F628-L638 HydrophobicContact CE1-CD1 3.83Å; F628-L641 HydrophobicContact CD1-CD1 4.45Å; F628-L641 HydrophobicContact CE1-CD1 3.56Å; F628-L641 HydrophobicContact CZ-CD1 4.16Å; F628-L646 HydrophobicContact CZ-CD2 3.81Å; F628-M650 HydrophobicContact CD1-CE 4.44Å; F628-M650 HydrophobicContact CD2-CE 3.61Å; F628-M650 HydrophobicContact CE2-CE 3.71Å; F628-M650 HydrophobicContact CE2-SD 4.29Å; F628-M650 HydrophobicContact CG-CE 3.99Å; F628-M650 HydrophobicContact CZ-CE 4.17Å; F628-M650 HydrophobicContact CZ-SD 4.25Å; F628-I652 HydrophobicContact CE2-CD1 3.94Å; F628-I660 HydrophobicContact CE2-CD1 4.16Å; F628-I660 HydrophobicContact CZ-CD1 4.27Å; F628-I660 HydrophobicContact CZ-CG2 4.06Å |
| 629 | L | 97.4 | Very high | 96.4 | Very high | 91 Ų | 91 | 68.4 Ų | 68.4 | 48% | 0.476 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 175.2 | -170.4 | 61.4 | 0 | 0 | 0 | 112.4 | V608 C612 A625 Q631 E632 | V608-L629 HydrophobicContact CG1-CD1 3.82Å; C612-L629 VanDerWaalsContact SG-CB 3.59Å; C612-L629 PolarHBondContact SG-N 3.07Å; A625-L629 PolarHBondContact O-N 3.18Å; L629-Q631 PolarHBondContact O-N 3.49Å; L629-E632 PolarHBondContact O-N 2.66Å |
| 630 | S | 97 | Very high | 96.5 | Very high | 82 Ų | 82 | 66.1 Ų | 66.1 | 57% | 0.573 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 1.5 | -179.4 | 51.7 | 0 | 0 | 0 | 0 | 114.6 | A626 Q627 | A626-S630 WeakPolarHBondContact O-CB 3.49Å; A626-S630 PolarHBondContact O-N 3.43Å; A626-S630 PolarHBondContact O-OG 2.88Å; Q627-S630 WeakPolarHBondContact CA-OG 3.48Å |
| 631 | Q | 97 | Very high | 96.7 | Very high | 104 Ų | 104 | 64.5 Ų | 64.5 | 49% | 0.486 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 8.3 | 165.6 | -65.8 | -65.1 | -90 | 0 | 0 | 111.9 | Q627 F628 L629 I633 M650 | Q627-Q631 WeakPolarHBondContact O-CB 3.28Å; Q627-Q631 VanDerWaalsContact O-CG 3.24Å; Q627-Q631 WeakPolarHBondContact O-CG 3.45Å; Q627-Q631 PolarHBondContact O-N 3Å; F628-Q631 PolarHBondContact O-N 3.36Å; L629-Q631 PolarHBondContact O-N 3.49Å; Q631-I633 HydrophobicContact CB-CD1 3.8Å; Q631-I633 HydrophobicContact CB-CG1 3.7Å; Q631-I633 PolarHBondContact O-N 3.14Å; Q631-I633 VanDerWaalsContact O-N 3.15Å; Q631-M650 HydrophobicContact CG-CE 4.22Å |
| 632 | E | 97.5 | Very high | 96.8 | Very high | 166 Ų | 166 | 70.7 Ų | 70.7 | 78% | 0.776 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 36 | 179 | -58 | -173.3 | 150.1 | 0 | 0 | 113.6 | F628 L629 D634 | F628-E632 PolarHBondContact O-N 2.89Å; L629-E632 PolarHBondContact O-N 2.66Å; E632-D634 PolarHBondContact O-N 2.84Å; E632-D634 VanDerWaalsContact O-N 3.11Å |
| 633 | I | 97.9 | Very high | 96.9 | Very high | 12 Ų | 12 | 67.5 Ų | 67.5 | 6% | 0.062 | 35% | 0.347 | C | S | . | . | | | trans | -76.5 | 103 | -173.4 | -58.7 | 180 | 0 | 0 | 0 | 110.1 | V611 F628 Q631 A637 L638 L641 M650 | V611-I633 WeakPolarHBondContact CB-O 3.22Å; V611-I633 HydrophobicContact CG1-CG2 4.32Å; V611-I633 WeakPolarHBondContact CG1-O 3.17Å; F628-I633 HydrophobicContact CB-CB 4.48Å; F628-I633 HydrophobicContact CD1-CB 4.04Å; F628-I633 HydrophobicContact CD1-CD1 3.77Å; F628-I633 HydrophobicContact CD1-CG1 4.46Å; F628-I633 HydrophobicContact CD1-CG2 3.91Å; F628-I633 HydrophobicContact CE1-CD1 4.15Å; F628-I633 HydrophobicContact CE1-CG2 4.39Å; F628-I633 HydrophobicContact CG-CD1 4.24Å; F628-I633 PolarHBondContact O-N 2.73Å; F628-I633 VanDerWaalsContact O-N 3.11Å; Q631-I633 HydrophobicContact CB-CD1 3.8Å; Q631-I633 HydrophobicContact CB-CG1 3.7Å; Q631-I633 PolarHBondContact O-N 3.14Å; Q631-I633 VanDerWaalsContact O-N 3.15Å; I633-A637 HydrophobicContact CG2-CB 3.89Å; I633-L638 HydrophobicContact CG2-CB 4.19Å; I633-L641 HydrophobicContact CD1-CD1 4.13Å; I633-L641 HydrophobicContact CG2-CD1 4.16Å; I633-M650 HydrophobicContact CD1-CE 3.65Å; I633-M650 HydrophobicContact CD1-SD 3.7Å |
| 634 | D | 97.6 | Very high | 97 | Very high | 57 Ų | 57 | 63 Ų | 63 | 31% | 0.305 | 33% | 0.329 | S | S | . | . | | | trans | -80.7 | 178.7 | 171.2 | 84.1 | -16.6 | 0 | 0 | 0 | 112.5 | V608 V611 E632 Q636 A637 L638 | V608-D634 HydrophobicContact CG2-CB 4.24Å; V611-D634 VanDerWaalsContact CG2-C 3.49Å; E632-D634 PolarHBondContact O-N 2.84Å; E632-D634 VanDerWaalsContact O-N 3.11Å; D634-Q636 PolarHBondContact O-N 3.47Å; D634-Q636 PolarHBondContact OD1-N 3.43Å; D634-A637 PolarHBondContact O-N 2.71Å; D634-A637 WeakPolarHBondContact OD1-CB 3.39Å; D634-A637 PolarHBondContact OD1-N 3.08Å; D634-L638 VanDerWaalsContact O-CB 3.3Å; D634-L638 WeakPolarHBondContact O-CB 3.28Å; D634-L638 PolarHBondContact O-N 3.06Å |
| 635 | G | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.9 | -27.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | P603 W606 L639 | P603-G635 CarbonylContact O-C 3.48Å; P603-G635 WeakPolarHBondContact O-CA 3.3Å; W606-G635 PolarHBondContact O-N 2.89Å; G635-L639 VanDerWaalsContact O-CG 3.29Å; G635-L639 WeakPolarHBondContact O-CG 3.23Å; G635-L639 PolarHBondContact O-N 3.03Å |
| 636 | Q | 96.7 | Very high | 97.1 | Very high | 120 Ų | 120 | 64.2 Ų | 64.2 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -76.9 | -46.7 | 177.4 | -60 | -173 | 25 | 0 | 0 | 110.7 | A604 D634 L639 L640 | A604-Q636 WeakPolarHBondContact O-CG 3.07Å; A604-Q636 PolarHBondContact O-NE2 2.97Å; D634-Q636 PolarHBondContact O-N 3.47Å; D634-Q636 PolarHBondContact OD1-N 3.43Å; Q636-L639 PolarHBondContact O-N 2.93Å; Q636-L640 WeakPolarHBondContact O-CG 3.29Å; Q636-L640 PolarHBondContact O-N 3.36Å |
| 637 | A | 97.6 | Very high | 97.1 | Very high | 34 Ų | 34 | 64.1 Ų | 64.1 | 28% | 0.281 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I633 D634 L639 L640 L641 | I633-A637 HydrophobicContact CG2-CB 3.89Å; D634-A637 PolarHBondContact O-N 2.71Å; D634-A637 WeakPolarHBondContact OD1-CB 3.39Å; D634-A637 PolarHBondContact OD1-N 3.08Å; A637-L639 VanDerWaalsContact C-N 3.33Å; A637-L639 PolarHBondContact O-N 3.34Å; A637-L640 PolarHBondContact O-N 3.17Å; A637-L641 WeakPolarHBondContact O-CG 3.33Å; A637-L641 PolarHBondContact O-N 3.21Å |
| 638 | L | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -53.1 | -47 | 178.1 | 179.7 | 68.3 | 0 | 0 | 0 | 112.3 | W606 V611 F614 I615 F628 I633 D634 L640 L641 I664 L667 | W606-L638 HydrophobicContact CE3-CD2 4.15Å; W606-L638 HydrophobicContact CZ3-CD2 4.17Å; V611-L638 HydrophobicContact CG1-CB 4.41Å; V611-L638 HydrophobicContact CG1-CD1 4.07Å; V611-L638 HydrophobicContact CG1-CD2 4.11Å; V611-L638 HydrophobicContact CG1-CG 4.42Å; V611-L638 HydrophobicContact CG2-CB 4.23Å; V611-L638 HydrophobicContact CG2-CD2 3.98Å; F614-L638 HydrophobicContact CD1-CD2 3.97Å; F614-L638 HydrophobicContact CE1-CD2 4.1Å; I615-L638 HydrophobicContact CD1-CD1 4.46Å; F628-L638 HydrophobicContact CD1-CD1 4.36Å; F628-L638 HydrophobicContact CE1-CD1 3.83Å; I633-L638 HydrophobicContact CG2-CB 4.19Å; D634-L638 VanDerWaalsContact O-CB 3.3Å; D634-L638 WeakPolarHBondContact O-CB 3.28Å; D634-L638 PolarHBondContact O-N 3.06Å; L638-L640 PolarHBondContact O-N 3.17Å; L638-L641 HydrophobicContact CD1-CD1 4.24Å; L638-L641 WeakPolarHBondContact O-CB 3.47Å; L638-L641 PolarHBondContact O-N 3.35Å; L638-I664 HydrophobicContact CD1-CD1 3.66Å; L638-I664 HydrophobicContact CD1-CG1 3.82Å; L638-I664 HydrophobicContact CG-CD1 4.29Å; L638-I664 HydrophobicContact CG-CG1 4.1Å; L638-L667 HydrophobicContact CD2-CD1 4.34Å |
| 639 | L | 96.4 | Very high | 97 | Very high | 36 Ų | 36 | 69.8 Ų | 69.8 | 19% | 0.188 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71.7 | -13.5 | -178.9 | -65.5 | 172.7 | 0 | 0 | 0 | 113.8 | P603 A604 G635 Q636 A637 I664 L667 R668 | P603-L639 HydrophobicContact CB-CD1 4.2Å; P603-L639 HydrophobicContact CB-CD2 4.26Å; A604-L639 HydrophobicContact CB-CD1 3.75Å; G635-L639 VanDerWaalsContact O-CG 3.29Å; G635-L639 WeakPolarHBondContact O-CG 3.23Å; G635-L639 PolarHBondContact O-N 3.03Å; Q636-L639 PolarHBondContact O-N 2.93Å; A637-L639 VanDerWaalsContact C-N 3.33Å; A637-L639 PolarHBondContact O-N 3.34Å; L639-I664 HydrophobicContact CD2-CG2 4.46Å; L639-L667 HydrophobicContact CD2-CB 4.16Å; L639-R668 HydrophobicContact CD2-CG 3.76Å |
| 640 | L | 96.6 | Very high | 96.9 | Very high | 132 Ų | 132 | 65.8 Ų | 65.8 | 69% | 0.691 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -97 | -8.1 | 174.8 | -64.1 | 172.4 | 0 | 0 | 0 | 113.1 | Q636 A637 L638 | Q636-L640 WeakPolarHBondContact O-CG 3.29Å; Q636-L640 PolarHBondContact O-N 3.36Å; A637-L640 PolarHBondContact O-N 3.17Å; L638-L640 PolarHBondContact O-N 3.17Å |
| 641 | L | 96.8 | Very high | 96.9 | Very high | 28 Ų | 28 | 68.1 Ų | 68.1 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | | | trans | -67.4 | 134.7 | 178.5 | -65.9 | -179.9 | 0 | 0 | 0 | 111.9 | F628 I633 A637 L638 H645 L646 I664 | F628-L641 HydrophobicContact CD1-CD1 4.45Å; F628-L641 HydrophobicContact CE1-CD1 3.56Å; F628-L641 HydrophobicContact CZ-CD1 4.16Å; I633-L641 HydrophobicContact CD1-CD1 4.13Å; I633-L641 HydrophobicContact CG2-CD1 4.16Å; A637-L641 WeakPolarHBondContact O-CG 3.33Å; A637-L641 PolarHBondContact O-N 3.21Å; L638-L641 HydrophobicContact CD1-CD1 4.24Å; L638-L641 WeakPolarHBondContact O-CB 3.47Å; L638-L641 PolarHBondContact O-N 3.35Å; L641-H645 HydrophobicContact CD2-CB 4.1Å; L641-L646 HydrophobicContact CB-CD2 4.49Å; L641-L646 HydrophobicContact CD1-CD2 3.83Å; L641-I664 HydrophobicContact CB-CD1 4.24Å |
| 642 | R | 96.1 | Very high | 96.9 | Very high | 132 Ų | 132 | 63.5 Ų | 63.5 | 50% | 0.498 | 33% | 0.329 | S | S | . | . | | | trans | -116.3 | 163 | 172.5 | -58.1 | -177.6 | -57.2 | 103.7 | 17.8 | 109.1 | D644 H645 L646 | R642-D644 IonicContact CZ-OD2 3.21Å; R642-D644 IonicContact NH1-OD2 2.73Å; R642-D644 PolarHBondContact NH1-OD2 3.4Å; R642-D644 IonicContact NH2-OD2 3.81Å; R642-D644 PolarHBondContact NH2-OD2 3.43Å; R642-D644 PolarHBondContact O-N 2.98Å; R642-H645 PolarHBondContact N-ND1 2.79Å; R642-H645 PolarHBondContact NH2-NE2 2.83Å; R642-H645 WeakPolarHBondContact O-CB 3.49Å; R642-H645 PolarHBondContact O-N 3.37Å; R642-L646 PolarHBondContact O-N 2.88Å |
| 643 | E | 97.4 | Very high | 96.9 | Very high | 76 Ų | 76 | 63.9 Ų | 63.9 | 36% | 0.355 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -49.8 | -44.3 | 179.1 | -174.1 | 178 | 155.8 | 0 | 0 | 112.1 | H645 L646 I647 L654 L658 | E643-H645 VanDerWaalsContact C-N 3.28Å; E643-H645 PolarHBondContact O-N 3.08Å; E643-L646 PolarHBondContact O-N 3.05Å; E643-I647 HydrophobicContact CG-CD1 3.65Å; E643-I647 HydrophobicContact CG-CG1 4.41Å; E643-I647 WeakPolarHBondContact O-CG1 3.34Å; E643-I647 PolarHBondContact O-N 2.98Å; E643-L654 WeakPolarHBondContact OE1-CD1 3.29Å; E643-L658 HydrophobicContact CG-CD2 4.47Å; E643-L658 VanDerWaalsContact OE2-CD2 3.32Å; E643-L658 WeakPolarHBondContact OE2-CD2 3.18Å |
| 644 | D | 97 | Very high | 96.8 | Very high | 89 Ų | 89 | 67.7 Ų | 67.7 | 48% | 0.476 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -50.9 | -42.6 | 174.5 | -53.6 | -24.9 | 0 | 0 | 0 | 113.3 | R642 S648 | R642-D644 IonicContact CZ-OD2 3.21Å; R642-D644 IonicContact NH1-OD2 2.73Å; R642-D644 PolarHBondContact NH1-OD2 3.4Å; R642-D644 IonicContact NH2-OD2 3.81Å; R642-D644 PolarHBondContact NH2-OD2 3.43Å; R642-D644 PolarHBondContact O-N 2.98Å; D644-S648 WeakPolarHBondContact O-CA 3.43Å; D644-S648 WeakPolarHBondContact O-CB 3.49Å; D644-S648 PolarHBondContact O-N 2.88Å |
| 645 | H | 97.5 | Very high | 96.8 | Very high | 63 Ų | 63 | 67 Ų | 67 | 29% | 0.292 | 36% | 0.355 | S | S | . | . | I | π-helix | trans | -71.4 | -41.8 | -175.7 | -54 | 167.3 | 0 | 0 | 0 | 110.5 | L641 R642 E643 T649 M650 | L641-H645 HydrophobicContact CD2-CB 4.1Å; R642-H645 PolarHBondContact N-ND1 2.79Å; R642-H645 PolarHBondContact NH2-NE2 2.83Å; R642-H645 WeakPolarHBondContact O-CB 3.49Å; R642-H645 PolarHBondContact O-N 3.37Å; E643-H645 VanDerWaalsContact C-N 3.28Å; E643-H645 PolarHBondContact O-N 3.08Å; H645-T649 WeakPolarHBondContact O-CA 3.41Å; H645-T649 VanDerWaalsContact O-CB 3.25Å; H645-T649 WeakPolarHBondContact O-CB 3.39Å; H645-T649 PolarHBondContact O-N 3.01Å; H645-M650 PolarHBondContact O-N 2.81Å; H645-M650 VanDerWaalsContact O-N 3.09Å |
| 646 | L | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | I | π-helix | trans | -64 | -44.8 | 177 | -58.1 | -176.5 | 0 | 0 | 0 | 110.9 | F628 L641 R642 E643 M650 N651 I652 A657 I660 C661 | F628-L646 HydrophobicContact CZ-CD2 3.81Å; L641-L646 HydrophobicContact CB-CD2 4.49Å; L641-L646 HydrophobicContact CD1-CD2 3.83Å; R642-L646 PolarHBondContact O-N 2.88Å; E643-L646 PolarHBondContact O-N 3.05Å; L646-M650 HydrophobicContact CD2-SD 3.82Å; L646-M650 CarbonylContact O-C 3.38Å; L646-M650 WeakPolarHBondContact O-CB 3.16Å; L646-N651 PolarHBondContact O-N 3.31Å; L646-I652 HydrophobicContact CB-CB 4.38Å; L646-I652 HydrophobicContact CB-CD1 4.32Å; L646-I652 HydrophobicContact CD2-CD1 4.19Å; L646-I652 WeakPolarHBondContact O-CB 3.3Å; L646-I652 PolarHBondContact O-N 3.35Å; L646-A657 HydrophobicContact CB-CB 3.83Å; L646-A657 HydrophobicContact CD1-CB 4.03Å; L646-A657 WeakPolarHBondContact CD1-O 3.47Å; L646-I660 HydrophobicContact CD1-CB 3.89Å; L646-I660 HydrophobicContact CD1-CG2 3.77Å; L646-C661 VanDerWaalsContact CD1-SG 3.56Å |
| 647 | I | 97.5 | Very high | 96.8 | Very high | 63 Ų | 63 | 63 Ų | 63 | 32% | 0.323 | 34% | 0.339 | S | S | . | . | I | π-helix | trans | -78.9 | -44.1 | -175.5 | -59.8 | 175.5 | 0 | 0 | 0 | 112.1 | E643 N651 I652 L654 A657 | E643-I647 HydrophobicContact CG-CD1 3.65Å; E643-I647 HydrophobicContact CG-CG1 4.41Å; E643-I647 WeakPolarHBondContact O-CG1 3.34Å; E643-I647 PolarHBondContact O-N 2.98Å; I647-N651 VanDerWaalsContact O-CA 3.26Å; I647-N651 WeakPolarHBondContact O-CA 3.28Å; I647-N651 PolarHBondContact O-N 3.04Å; I647-I652 WeakPolarHBondContact CA-O 3.37Å; I647-L654 HydrophobicContact CD1-CB 4.22Å; I647-L654 HydrophobicContact CD1-CD1 3.57Å; I647-A657 HydrophobicContact CD1-CB 4.27Å; I647-A657 HydrophobicContact CG1-CB 3.74Å |
| 648 | S | 96.3 | Very high | 96.8 | Very high | 91 Ų | 91 | 65.2 Ų | 65.2 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | I | π-helix | trans | -84.3 | -52.6 | -174.8 | -171.2 | 0 | 0 | 0 | 0 | 112.3 | D644 N651 | D644-S648 WeakPolarHBondContact O-CA 3.43Å; D644-S648 WeakPolarHBondContact O-CB 3.49Å; D644-S648 PolarHBondContact O-N 2.88Å; S648-N651 PolarHBondContact O-ND2 3.5Å; S648-N651 VanDerWaalsContact O-ND2 3.11Å |
| 649 | T | 94.3 | Very high | 96.8 | Very high | 90 Ų | 90 | 69.8 Ų | 69.8 | 55% | 0.552 | 37% | 0.365 | S | S | * | . | I | π-helix | trans | -82.1 | -42.8 | -173.5 | -45.2 | 0 | 0 | 0 | 0 | 111.9 | H645 | H645-T649 WeakPolarHBondContact O-CA 3.41Å; H645-T649 VanDerWaalsContact O-CB 3.25Å; H645-T649 WeakPolarHBondContact O-CB 3.39Å; H645-T649 PolarHBondContact O-N 3.01Å |
| 650 | M | 96.1 | Very high | 96.8 | Very high | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.03 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -94.8 | -0.1 | 179.4 | -52.9 | 179.8 | 76.5 | 0 | 0 | 113.4 | Q627 F628 Q631 I633 H645 L646 I652 | Q627-M650 HydrophobicContact CB-CE 4.22Å; Q627-M650 VanDerWaalsContact CD-O 3.25Å; Q627-M650 HydrophobicContact CG-CE 4.07Å; Q627-M650 PolarHBondContact NE2-O 3.48Å; Q627-M650 WeakPolarHBondContact O-CE 3.41Å; Q627-M650 PolarHBondContact OE1-O 2.71Å; F628-M650 HydrophobicContact CD1-CE 4.44Å; F628-M650 HydrophobicContact CD2-CE 3.61Å; F628-M650 HydrophobicContact CE2-CE 3.71Å; F628-M650 HydrophobicContact CE2-SD 4.29Å; F628-M650 HydrophobicContact CG-CE 3.99Å; F628-M650 HydrophobicContact CZ-CE 4.17Å; F628-M650 HydrophobicContact CZ-SD 4.25Å; Q631-M650 HydrophobicContact CG-CE 4.22Å; I633-M650 HydrophobicContact CD1-CE 3.65Å; I633-M650 HydrophobicContact CD1-SD 3.7Å; H645-M650 PolarHBondContact O-N 2.81Å; H645-M650 VanDerWaalsContact O-N 3.09Å; L646-M650 HydrophobicContact CD2-SD 3.82Å; L646-M650 CarbonylContact O-C 3.38Å; L646-M650 WeakPolarHBondContact O-CB 3.16Å; M650-I652 HydrophobicContact CB-CD1 3.78Å; M650-I652 HydrophobicContact CB-CG1 3.81Å; M650-I652 HydrophobicContact CE-CD1 4.21Å; M650-I652 PolarHBondContact O-N 3.34Å; M650-I652 HydrophobicContact SD-CD1 4.1Å |
| 651 | N | 96.3 | Very high | 96.8 | Very high | 131 Ų | 131 | 62.5 Ų | 62.5 | 70% | 0.701 | 33% | 0.329 | S | S | * | . | | | trans | 54 | 21 | -179 | -48.7 | 133.4 | 0 | 0 | 0 | 115 | L646 I647 S648 | L646-N651 PolarHBondContact O-N 3.31Å; I647-N651 VanDerWaalsContact O-CA 3.26Å; I647-N651 WeakPolarHBondContact O-CA 3.28Å; I647-N651 PolarHBondContact O-N 3.04Å; S648-N651 PolarHBondContact O-ND2 3.5Å; S648-N651 VanDerWaalsContact O-ND2 3.11Å |
| 652 | I | 96.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 63.9 Ų | 63.9 | 4% | 0.036 | 34% | 0.344 | C | S | . | . | | | trans | -71.6 | 131.7 | -179.6 | -61.3 | 172.4 | 0 | 0 | 0 | 108.5 | L624 F628 L646 I647 M650 P656 A657 I660 | L624-I652 HydrophobicContact CD1-CD1 4.44Å; L624-I652 HydrophobicContact CD1-CG2 3.79Å; L624-I652 HydrophobicContact CD2-CG1 4.35Å; F628-I652 HydrophobicContact CE2-CD1 3.94Å; L646-I652 HydrophobicContact CB-CB 4.38Å; L646-I652 HydrophobicContact CB-CD1 4.32Å; L646-I652 HydrophobicContact CD2-CD1 4.19Å; L646-I652 WeakPolarHBondContact O-CB 3.3Å; L646-I652 PolarHBondContact O-N 3.35Å; I647-I652 WeakPolarHBondContact CA-O 3.37Å; M650-I652 HydrophobicContact CB-CD1 3.78Å; M650-I652 HydrophobicContact CB-CG1 3.81Å; M650-I652 HydrophobicContact CE-CD1 4.21Å; M650-I652 PolarHBondContact O-N 3.34Å; M650-I652 HydrophobicContact SD-CD1 4.1Å; I652-P656 HydrophobicContact CG2-CB 3.88Å; I652-A657 HydrophobicContact CG2-CB 4.14Å; I652-I660 HydrophobicContact CD1-CD1 4.49Å |
| 653 | K | 97.7 | Very high | 96.8 | Very high | 174 Ų | 174 | 59.2 Ų | 59.2 | 76% | 0.757 | 33% | 0.331 | S | S | * | . | | | trans | -60.2 | 143.2 | 178.6 | -67.6 | 168.1 | -176.1 | 164.4 | 0 | 110.4 | G655 P656 A657 | K653-G655 PolarHBondContact O-N 2.98Å; K653-P656 WeakPolarHBondContact O-CD 3.4Å; K653-A657 PolarHBondContact O-N 3.04Å |
| 654 | L | 96.9 | Very high | 96.8 | Very high | 93 Ų | 93 | 55.7 Ų | 55.7 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -44.8 | -43.3 | -178.9 | 177.4 | 62.4 | 0 | 0 | 0 | 113.9 | E643 I647 A657 L658 | E643-L654 WeakPolarHBondContact OE1-CD1 3.29Å; I647-L654 HydrophobicContact CD1-CB 4.22Å; I647-L654 HydrophobicContact CD1-CD1 3.57Å; L654-A657 PolarHBondContact O-N 3.03Å; L654-L658 HydrophobicContact CD1-CD1 3.75Å; L654-L658 HydrophobicContact CD1-CD2 4.47Å; L654-L658 HydrophobicContact CD1-CG 3.87Å; L654-L658 HydrophobicContact CG-CD1 3.91Å; L654-L658 HydrophobicContact CG-CG 4.42Å; L654-L658 WeakPolarHBondContact O-CB 3.37Å; L654-L658 VanDerWaalsContact O-CG 3.29Å; L654-L658 WeakPolarHBondContact O-CG 3.39Å; L654-L658 PolarHBondContact O-N 3.31Å |
| 655 | G | 96.6 | Very high | 96.7 | Very high | 43 Ų | 43 | 55.6 Ų | 55.6 | 44% | 0.443 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.4 | -61.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K653 A657 L658 K659 | K653-G655 PolarHBondContact O-N 2.98Å; G655-A657 VanDerWaalsContact C-N 3.34Å; G655-A657 PolarHBondContact O-N 2.98Å; G655-L658 PolarHBondContact O-N 2.85Å; G655-K659 PolarHBondContact O-N 3.17Å |
| 656 | P | 97.1 | Very high | 96.5 | Very high | 34 Ų | 34 | 56.6 Ų | 56.6 | 22% | 0.221 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58 | -38.1 | 171 | -28.3 | 34.8 | 0 | 0 | 0 | 114.7 | L624 I652 K653 L658 K659 I660 | L624-P656 HydrophobicContact CD1-CB 3.73Å; I652-P656 HydrophobicContact CG2-CB 3.88Å; K653-P656 WeakPolarHBondContact O-CD 3.4Å; P656-L658 PolarHBondContact O-N 3.01Å; P656-K659 WeakPolarHBondContact O-CB 3.29Å; P656-K659 PolarHBondContact O-N 2.95Å; P656-I660 WeakPolarHBondContact O-CG1 3.48Å; P656-I660 PolarHBondContact O-N 3.39Å |
| 657 | A | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L646 I647 I652 K653 L654 G655 K659 I660 C661 | L646-A657 HydrophobicContact CB-CB 3.83Å; L646-A657 HydrophobicContact CD1-CB 4.03Å; L646-A657 WeakPolarHBondContact CD1-O 3.47Å; I647-A657 HydrophobicContact CD1-CB 4.27Å; I647-A657 HydrophobicContact CG1-CB 3.74Å; I652-A657 HydrophobicContact CG2-CB 4.14Å; K653-A657 PolarHBondContact O-N 3.04Å; L654-A657 PolarHBondContact O-N 3.03Å; G655-A657 VanDerWaalsContact C-N 3.34Å; G655-A657 PolarHBondContact O-N 2.98Å; A657-K659 VanDerWaalsContact C-N 3.34Å; A657-K659 PolarHBondContact O-N 2.86Å; A657-I660 PolarHBondContact O-N 2.77Å; A657-C661 PolarHBondContact O-N 3.11Å |
| 658 | L | 97.3 | Very high | 95.8 | Very high | 82 Ų | 82 | 63.7 Ų | 63.7 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.5 | -36.1 | 175.6 | -73.1 | 170.3 | 0 | 0 | 0 | 113 | E643 L654 G655 P656 A662 | E643-L658 HydrophobicContact CG-CD2 4.47Å; E643-L658 VanDerWaalsContact OE2-CD2 3.32Å; E643-L658 WeakPolarHBondContact OE2-CD2 3.18Å; L654-L658 HydrophobicContact CD1-CD1 3.75Å; L654-L658 HydrophobicContact CD1-CD2 4.47Å; L654-L658 HydrophobicContact CD1-CG 3.87Å; L654-L658 HydrophobicContact CG-CD1 3.91Å; L654-L658 HydrophobicContact CG-CG 4.42Å; L654-L658 WeakPolarHBondContact O-CB 3.37Å; L654-L658 VanDerWaalsContact O-CG 3.29Å; L654-L658 WeakPolarHBondContact O-CG 3.39Å; L654-L658 PolarHBondContact O-N 3.31Å; G655-L658 PolarHBondContact O-N 2.85Å; P656-L658 PolarHBondContact O-N 3.01Å; L658-A662 WeakPolarHBondContact O-CB 3.3Å; L658-A662 PolarHBondContact O-N 2.82Å |
| 659 | K | 96.9 | Very high | 94.8 | Very high | 95 Ų | 95 | 68.2 Ų | 68.2 | 41% | 0.413 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61 | -50.3 | 172.2 | -66.1 | 178.2 | -175.8 | 173.8 | 0 | 110.9 | Q619 G655 P656 A657 A662 S663 | Q619-K659 PolarHBondContact O-NZ 3.29Å; G655-K659 PolarHBondContact O-N 3.17Å; P656-K659 WeakPolarHBondContact O-CB 3.29Å; P656-K659 PolarHBondContact O-N 2.95Å; A657-K659 VanDerWaalsContact C-N 3.34Å; A657-K659 PolarHBondContact O-N 2.86Å; K659-A662 WeakPolarHBondContact O-CB 3.46Å; K659-A662 PolarHBondContact O-N 3.2Å; K659-S663 PolarHBondContact O-N 3.27Å; K659-S663 PolarHBondContact O-OG 3.05Å |
| 660 | I | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.7 | -46.9 | -177.1 | -68 | 165.8 | 0 | 0 | 0 | 109.9 | I615 L618 L624 F628 L646 I652 P656 A657 A662 S663 I664 | I615-I660 HydrophobicContact CD1-CD1 4.4Å; I615-I660 HydrophobicContact CD1-CG1 4.19Å; I615-I660 HydrophobicContact CD1-CG2 3.86Å; L618-I660 HydrophobicContact CD1-CG1 4.09Å; L624-I660 HydrophobicContact CD1-CD1 3.85Å; F628-I660 HydrophobicContact CE2-CD1 4.16Å; F628-I660 HydrophobicContact CZ-CD1 4.27Å; F628-I660 HydrophobicContact CZ-CG2 4.06Å; L646-I660 HydrophobicContact CD1-CB 3.89Å; L646-I660 HydrophobicContact CD1-CG2 3.77Å; I652-I660 HydrophobicContact CD1-CD1 4.49Å; P656-I660 WeakPolarHBondContact O-CG1 3.48Å; P656-I660 PolarHBondContact O-N 3.39Å; A657-I660 PolarHBondContact O-N 2.77Å; I660-A662 VanDerWaalsContact C-N 3.33Å; I660-A662 PolarHBondContact O-N 3.46Å; I660-S663 PolarHBondContact O-N 2.85Å; I660-I664 HydrophobicContact CG2-CD1 3.61Å; I660-I664 HydrophobicContact CG2-CG1 4.26Å; I660-I664 VanDerWaalsContact O-CG1 3.28Å; I660-I664 WeakPolarHBondContact O-CG1 3.22Å; I660-I664 PolarHBondContact O-N 3.49Å |
| 661 | C | 96.7 | Very high | 94.8 | Very high | 16 Ų | 16 | 70.4 Ų | 70.4 | 11% | 0.108 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 174.9 | -72.7 | 0 | 0 | 0 | 0 | 113.1 | L646 A657 N665 | L646-C661 VanDerWaalsContact CD1-SG 3.56Å; A657-C661 PolarHBondContact O-N 3.11Å; C661-N665 PolarHBondContact O-N 3.01Å; C661-N665 PolarHBondContact O-ND2 3.07Å |
| 662 | A | 96.5 | Very high | 94.7 | Very high | 57 Ų | 57 | 67 Ų | 67 | 47% | 0.471 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L658 K659 I660 N665 S666 | L658-A662 WeakPolarHBondContact O-CB 3.3Å; L658-A662 PolarHBondContact O-N 2.82Å; K659-A662 WeakPolarHBondContact O-CB 3.46Å; K659-A662 PolarHBondContact O-N 3.2Å; I660-A662 VanDerWaalsContact C-N 3.33Å; I660-A662 PolarHBondContact O-N 3.46Å; A662-N665 PolarHBondContact O-N 3.17Å; A662-S666 PolarHBondContact O-N 3.15Å; A662-S666 VanDerWaalsContact O-N 3.09Å; A662-S666 PolarHBondContact O-OG 3.36Å |
| 663 | S | 96.1 | Very high | 94.6 | Very high | 33 Ų | 33 | 70.5 Ų | 70.5 | 23% | 0.231 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.1 | -38.4 | 177.1 | -62 | 0 | 0 | 0 | 0 | 113.2 | L618 K659 I660 S666 L667 | L618-S663 WeakPolarHBondContact CD2-OG 3.48Å; K659-S663 PolarHBondContact O-N 3.27Å; K659-S663 PolarHBondContact O-OG 3.05Å; I660-S663 PolarHBondContact O-N 2.85Å; S663-S666 CarbonylContact O-C 3.57Å; S663-S666 PolarHBondContact O-N 3.28Å; S663-L667 PolarHBondContact O-N 3.03Å |
| 664 | I | 96.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 173.5 | -69.5 | 165.3 | 0 | 0 | 0 | 110.8 | L638 L639 L641 I660 S666 L667 R668 | L638-I664 HydrophobicContact CD1-CD1 3.66Å; L638-I664 HydrophobicContact CD1-CG1 3.82Å; L638-I664 HydrophobicContact CG-CD1 4.29Å; L638-I664 HydrophobicContact CG-CG1 4.1Å; L639-I664 HydrophobicContact CD2-CG2 4.46Å; L641-I664 HydrophobicContact CB-CD1 4.24Å; I660-I664 HydrophobicContact CG2-CD1 3.61Å; I660-I664 HydrophobicContact CG2-CG1 4.26Å; I660-I664 VanDerWaalsContact O-CG1 3.28Å; I660-I664 WeakPolarHBondContact O-CG1 3.22Å; I660-I664 PolarHBondContact O-N 3.49Å; I664-S666 VanDerWaalsContact C-N 3.29Å; I664-S666 PolarHBondContact O-N 3.18Å; I664-L667 WeakPolarHBondContact O-CB 3.29Å; I664-L667 PolarHBondContact O-N 3.29Å; I664-R668 WeakPolarHBondContact O-CG 3.49Å |
| 665 | N | 94.9 | Very high | 94.2 | Very high | 86 Ų | 86 | 62.1 Ų | 62.1 | 46% | 0.46 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.8 | -34 | 175.5 | -73.3 | -41.6 | 0 | 0 | 0 | 112 | C661 A662 L667 R668 E669 | C661-N665 PolarHBondContact O-N 3.01Å; C661-N665 PolarHBondContact O-ND2 3.07Å; A662-N665 PolarHBondContact O-N 3.17Å; N665-L667 PolarHBondContact O-N 3.49Å; N665-R668 PolarHBondContact O-N 2.99Å; N665-R668 PolarHBondContact OD1-NH1 2.91Å; N665-E669 PolarHBondContact O-N 3.13Å |
| 666 | S | 93.8 | Very high | 94.1 | Very high | 85 Ų | 85 | 63.5 Ų | 63.5 | 59% | 0.594 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -0.1 | 170.4 | -58.7 | 0 | 0 | 0 | 0 | 115.2 | A662 S663 I664 | A662-S666 PolarHBondContact O-N 3.15Å; A662-S666 VanDerWaalsContact O-N 3.09Å; A662-S666 PolarHBondContact O-OG 3.36Å; S663-S666 CarbonylContact O-C 3.57Å; S663-S666 PolarHBondContact O-N 3.28Å; I664-S666 VanDerWaalsContact C-N 3.29Å; I664-S666 PolarHBondContact O-N 3.18Å |
| 667 | L | 92.4 | Very high | 93.8 | Very high | 45 Ų | 45 | 65.8 Ų | 65.8 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 1.7 | 166.6 | -62.8 | 176.8 | 0 | 0 | 0 | 112.6 | P603 W606 F614 L638 L639 S663 I664 N665 | P603-L667 HydrophobicContact CB-CB 4.22Å; P603-L667 HydrophobicContact CB-CD1 4.43Å; P603-L667 HydrophobicContact CG-CB 4.13Å; P603-L667 HydrophobicContact CG-CD2 4.21Å; W606-L667 HydrophobicContact CH2-CD1 3.53Å; W606-L667 HydrophobicContact CH2-CD2 3.69Å; W606-L667 HydrophobicContact CH2-CG 4.26Å; W606-L667 HydrophobicContact CZ2-CD2 4.39Å; W606-L667 HydrophobicContact CZ3-CD1 3.48Å; W606-L667 VanDerWaalsContact CZ3-CD1 3.48Å; W606-L667 HydrophobicContact CZ3-CD2 4.5Å; F614-L667 HydrophobicContact CD1-CD1 4.47Å; F614-L667 HydrophobicContact CD2-CD1 4.38Å; F614-L667 HydrophobicContact CE1-CD1 3.88Å; F614-L667 HydrophobicContact CE2-CD1 3.78Å; F614-L667 HydrophobicContact CE2-CD2 4.34Å; F614-L667 HydrophobicContact CE2-CG 4.28Å; F614-L667 HydrophobicContact CZ-CD1 3.49Å; F614-L667 VanDerWaalsContact CZ-CD1 3.49Å; F614-L667 HydrophobicContact CZ-CG 4.16Å; L638-L667 HydrophobicContact CD2-CD1 4.34Å; L639-L667 HydrophobicContact CD2-CB 4.16Å; S663-L667 PolarHBondContact O-N 3.03Å; I664-L667 WeakPolarHBondContact O-CB 3.29Å; I664-L667 PolarHBondContact O-N 3.29Å; N665-L667 PolarHBondContact O-N 3.49Å |
| 668 | R | 88.7 | Confident | 93.5 | Very high | 167 Ų | 167 | 71.3 Ų | 71.3 | 63% | 0.63 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | -10.7 | -177.8 | -63.6 | 172.3 | 68.6 | -149 | 3.7 | 113.4 | L639 I664 N665 | L639-R668 HydrophobicContact CD2-CG 3.76Å; I664-R668 WeakPolarHBondContact O-CG 3.49Å; N665-R668 PolarHBondContact O-N 2.99Å; N665-R668 PolarHBondContact OD1-NH1 2.91Å |
| 669 | E | 75.4 | Confident | 93.2 | Very high | 186 Ų | 186 | 70.3 Ų | 70.3 | 87% | 0.869 | 37% | 0.366 | S | S | * | . | | | trans | -97.2 | 0 | 169.4 | -173.6 | -175.5 | 166 | 0 | 0 | 109.8 | K456 N665 | K456-E669 IonicContact NZ-OE1 3.94Å; K456-E669 PolarHBondContact NZ-OE1 3.41Å; N665-E669 PolarHBondContact O-N 3.13Å |