| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 31.8 | Very low | 34.3 | Very low | 229 Ų | 229 | 146.5 Ų | 146.5 | 100% | 1.128 | 82% | 0.818 | S | S | * | * | 0 | 105.6 | 0 | -164.1 | 179 | -166.1 | 0 | 0 | 107.4 | |||||
| 2 | N | 33.3 | Very low | 33.9 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 78% | 0.781 | 82% | 0.82 | S | S | * | * | cis | -141.6 | 164.3 | -3.9 | -98.6 | 9.5 | 0 | 0 | 0 | 110.3 | ||||
| 3 | E | 37.5 | Very low | 34.6 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -84.9 | 169.2 | 171 | -61.7 | 154.7 | 90 | 0 | 0 | 112.3 | ||||
| 4 | L | 35 | Very low | 34.5 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | 173.2 | 120.2 | 143.4 | -86.3 | 145.2 | 0 | 0 | 0 | 105.5 | ||||
| 5 | T | 40.3 | Very low | 35.1 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 62% | 0.62 | 80% | 0.802 | S | S | * | * | cis | 101.5 | 110.3 | 22.5 | 66.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 6 | E | 35.3 | Very low | 34.7 | Very low | 188 Ų | 188 | 137.1 Ų | 137.1 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -139.6 | 124 | 148.7 | -65.9 | -174.9 | 129.1 | 0 | 0 | 104.6 | ||||
| 7 | L | 37.2 | Very low | 34.5 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | 65.5 | 131.8 | 67.2 | -65.8 | 166.1 | 0 | 0 | 0 | 112 | |||||
| 8 | D | 32.3 | Very low | 34.3 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 78% | 0.775 | 82% | 0.817 | S | S | * | * | cis | -151.6 | -172.8 | 41.2 | -152.6 | -8.2 | 0 | 0 | 0 | 115.8 | ||||
| 9 | N | 33.3 | Very low | 33.9 | Very low | 144 Ų | 144 | 147.5 Ų | 147.5 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | trans | -75.4 | 177.8 | -177.9 | -94 | -64.1 | 0 | 0 | 0 | 115.6 | ||||
| 10 | A | 31.7 | Very low | 33.5 | Very low | 92 Ų | 92 | 152.2 Ų | 152.2 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | cis | -162 | 167.7 | -7.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 11 | G | 29.8 | Very low | 33.3 | Very low | 80 Ų | 80 | 154.5 Ų | 154.5 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | 166.8 | 124.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 12 | S | 29.2 | Very low | 33 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -157.6 | 170.3 | 179.5 | -142.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 13 | P | 43.2 | Very low | 32.7 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 68% | 0.675 | 81% | 0.809 | S | S | * | * | cis | -137.6 | -158.6 | -3 | 42.2 | -22.6 | 0 | 0 | 0 | 114.1 | ||||
| 14 | E | 33.8 | Very low | 32.2 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | 78.3 | 157.2 | 152.1 | -77.7 | -71 | 88.5 | 0 | 0 | 119.6 | ||||
| 15 | P | 42.4 | Very low | 31.8 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | -132.8 | -178.2 | -129.8 | 42.8 | -25.5 | 0 | 0 | 0 | 115.8 | |||||
| 16 | G | 29.7 | Very low | 31.1 | Very low | 76 Ų | 76 | 145.3 Ų | 145.3 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | -167 | 91.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 17 | L | 30.8 | Very low | 30.6 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 95% | 0.953 | 80% | 0.802 | S | S | * | * | trans | -116.9 | 111.5 | 160 | -88.7 | 167.9 | 0 | 0 | 0 | 109.5 | ||||
| 18 | R | 30.5 | Very low | 30.1 | Very low | 251 Ų | 251 | 138.7 Ų | 138.7 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | trans | -97.9 | 124.2 | -179.7 | -86.3 | -172.1 | 171.9 | -173 | -1 | 112.4 | ||||
| 19 | L | 26.5 | Very low | 29.7 | Very low | 176 Ų | 176 | 137.2 Ų | 137.2 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -66.6 | 158.9 | 161.8 | -76.3 | 139.3 | 0 | 0 | 0 | 112.1 | ||||
| 20 | R | 26.8 | Very low | 29.4 | Very low | 241 Ų | 241 | 138.8 Ų | 138.8 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -125.9 | 121.9 | 161.9 | -177.5 | 170.2 | -179.2 | 176.2 | 1.2 | 110.7 | ||||
| 21 | K | 28.7 | Very low | 29.1 | Very low | 201 Ų | 201 | 137.9 Ų | 137.9 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -72.1 | 159.7 | 168.3 | -64.8 | 176.2 | 174.8 | -179.5 | 0 | 110.6 | ||||
| 22 | G | 26.8 | Very low | 28.9 | Very low | 62 Ų | 62 | 141 Ų | 141 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | cis | 122.5 | 138.6 | 1.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 23 | H | 26.4 | Very low | 28.8 | Very low | 181 Ų | 181 | 142.2 Ų | 142.2 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -160.6 | 130.8 | 165.6 | -101.7 | 59.1 | 0 | 0 | 0 | 104.9 | ||||
| 24 | M | 27 | Very low | 28 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 82% | 0.823 | 79% | 0.789 | S | S | * | * | 61.8 | 119.1 | 54.6 | -62.4 | -168.7 | 72.8 | 0 | 0 | 112.3 | |||||
| 25 | S | 25.6 | Very low | 27.7 | Very low | 103 Ų | 103 | 146.5 Ų | 146.5 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | cis | -144.3 | -172.7 | 8.1 | -131.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 26 | S | 25.4 | Very low | 26.9 | Very low | 102 Ų | 102 | 148.5 Ų | 148.5 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | cis | -156.6 | 161.8 | 19.9 | -156.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 27 | T | 25 | Very low | 26.6 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -51 | 167.2 | 147.7 | 26.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 28 | A | 26.6 | Very low | 26.4 | Very low | 83 Ų | 83 | 146.2 Ų | 146.2 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | cis | -170.1 | 175.2 | 11.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 29 | T | 25.1 | Very low | 26.4 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | cis | -175.9 | 145 | -30.1 | 34.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 30 | H | 26.5 | Very low | 26.4 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 82% | 0.819 | 78% | 0.778 | S | S | * | * | trans | 62.7 | 162.3 | 162.7 | -82.6 | -98.3 | 0 | 0 | 0 | 118.8 | ||||
| 31 | S | 24.9 | Very low | 26.5 | Very low | 73 Ų | 73 | 142.4 Ų | 142.4 | 51% | 0.51 | 78% | 0.775 | S | S | . | * | cis | -167.1 | 169.8 | -38.9 | 55.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 32 | D | 25.6 | Very low | 26.4 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | 62.2 | 129.9 | 155.8 | -41 | -45.6 | 0 | 0 | 0 | 122 | ||||
| 33 | V | 27.6 | Very low | 26.4 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | 173.3 | 157.7 | 124.3 | 154.2 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 34 | E | 26.3 | Very low | 26.4 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -104.1 | 177.9 | -163.7 | -56.9 | 168.4 | 108.3 | 0 | 0 | 114.7 | ||||
| 35 | E | 26.7 | Very low | 26.4 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | 64.9 | 151.4 | 164.8 | -58.8 | -174.3 | 148.4 | 0 | 0 | 117.1 | ||||
| 36 | D | 25.3 | Very low | 26.4 | Very low | 151 Ų | 151 | 148 Ų | 148 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | cis | -142.8 | -153.4 | 9.6 | -171.6 | 8 | 0 | 0 | 0 | 110.4 | ||||
| 37 | S | 24.4 | Very low | 26.6 | Very low | 91 Ų | 91 | 149.1 Ų | 149.1 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | trans | -118.3 | -166.4 | -151 | 61.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 38 | S | 26.9 | Very low | 26.5 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | 102.7 | 149.5 | 157.8 | 79.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 39 | E | 30.1 | Very low | 26.4 | Very low | 171 Ų | 171 | 152.4 Ų | 152.4 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -91 | 158.3 | -170.3 | -52.1 | 173.6 | 94 | 0 | 0 | 112.5 | ||||
| 40 | Q | 27.6 | Very low | 26.4 | Very low | 197 Ų | 197 | 152.1 Ų | 152.1 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -154.3 | 132.4 | 135.8 | -116.7 | 156.9 | 46.9 | 0 | 0 | 113.9 | ||||
| 41 | R | 27.4 | Very low | 26.4 | Very low | 220 Ų | 220 | 148.9 Ų | 148.9 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 142.2 | 166.1 | -64.3 | 179.5 | 177.5 | -157.8 | -0.7 | 109.1 | L43 | R41-L43 PolarHBondContact O-N 3.19Š|
| 42 | L | 26.2 | Very low | 26.5 | Very low | 172 Ų | 172 | 153.6 Ų | 153.6 | 90% | 0.901 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 128.9 | 160.7 | -90.4 | 72.5 | 0 | 0 | 0 | 109.5 | ||
| 43 | L | 27 | Very low | 26.5 | Very low | 160 Ų | 160 | 156 Ų | 156 | 84% | 0.838 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 143.1 | 160.8 | -78.2 | 166.4 | 0 | 0 | 0 | 108.7 | R41 | R41-L43 PolarHBondContact O-N 3.19Š|
| 44 | L | 27.1 | Very low | 26.5 | Very low | 179 Ų | 179 | 158.5 Ų | 158.5 | 94% | 0.937 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 149 | 173.9 | -71.1 | 167 | 0 | 0 | 0 | 110.2 | ||
| 45 | V | 26.9 | Very low | 26.4 | Very low | 135 Ų | 135 | 157.4 Ų | 157.4 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -113.2 | 127.3 | -176.8 | 173.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 46 | E | 26.2 | Very low | 26.4 | Very low | 185 Ų | 185 | 153.4 Ų | 153.4 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | trans | -84.6 | 150.9 | 165 | -68.1 | -170.6 | 143.1 | 0 | 0 | 111.4 | ||||
| 47 | P | 28.8 | Very low | 26.5 | Very low | 125 Ų | 125 | 151.7 Ų | 151.7 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | trans | -115.6 | 146.1 | 151.2 | 35.1 | -25.2 | 0 | 0 | 0 | 111.9 | ||||
| 48 | S | 22.5 | Very low | 26.7 | Very low | 111 Ų | 111 | 155.8 Ų | 155.8 | 78% | 0.776 | 84% | 0.841 | S | S | * | * | trans | -115.9 | 149.3 | -175.8 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 49 | L | 24.9 | Very low | 26.7 | Very low | 162 Ų | 162 | 158 Ų | 158 | 85% | 0.848 | 84% | 0.843 | S | S | * | * | trans | -149.3 | 112.4 | 162.2 | -82.7 | 109.2 | 0 | 0 | 0 | 105.9 | ||||
| 50 | S | 26.4 | Very low | 26.7 | Very low | 108 Ų | 108 | 155.2 Ų | 155.2 | 76% | 0.755 | 83% | 0.834 | S | S | * | * | 90.1 | 133 | 64.3 | 71.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 51 | S | 24.6 | Very low | 26.8 | Very low | 109 Ų | 109 | 153.9 Ų | 153.9 | 76% | 0.762 | 83% | 0.833 | S | S | * | * | trans | -93.8 | 149.3 | -171.2 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 52 | D | 27.8 | Very low | 27 | Very low | 173 Ų | 173 | 150 Ų | 150 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | trans | -132.5 | 145.9 | 154.2 | -83.9 | -52.5 | 0 | 0 | 0 | 109.8 | ||||
| 53 | Q | 26.8 | Very low | 27.1 | Very low | 193 Ų | 193 | 148.1 Ų | 148.1 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -152.2 | 113.9 | -177.2 | -176.9 | -178.9 | 27.7 | 0 | 0 | 109.9 | ||||
| 54 | E | 26.8 | Very low | 27.2 | Very low | 200 Ų | 200 | 147.9 Ų | 147.9 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | trans | -140.3 | 169.1 | 169.5 | -122.7 | 177.9 | -159.7 | 0 | 0 | 111.2 | ||||
| 55 | N | 25 | Very low | 27.6 | Very low | 153 Ų | 153 | 148.6 Ų | 148.6 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -140.2 | 171 | -136.2 | -164 | 13.7 | 0 | 0 | 0 | 115 | ||||
| 56 | S | 25.1 | Very low | 27.7 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | 74.3 | 154 | 178.4 | 82.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 57 | S | 27.2 | Very low | 28.4 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | cis | -137.8 | 167 | 12.8 | 41.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 58 | E | 29.3 | Very low | 29.1 | Very low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -83.7 | 155.2 | -172.5 | -54 | 164.5 | 120.8 | 0 | 0 | 112.9 | ||||
| 59 | D | 28.1 | Very low | 29.6 | Very low | 166 Ų | 166 | 151 Ų | 151 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -142.7 | 145.1 | 139.1 | -153.4 | -9.5 | 0 | 0 | 0 | 109.7 | ||||
| 60 | N | 28.7 | Very low | 30.5 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 61% | 0.61 | 81% | 0.813 | S | S | * | * | trans | -106.1 | 141.8 | -163.9 | -88.8 | -76.1 | 0 | 0 | 0 | 113.1 | ||||
| 61 | N | 29.3 | Very low | 31.2 | Very low | 168 Ų | 168 | 153.7 Ų | 153.7 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | -147 | 145.3 | 148.7 | -147.3 | -12.3 | 0 | 0 | 0 | 111.6 | ||||
| 62 | H | 31.6 | Very low | 32.1 | Very low | 139 Ų | 139 | 152 Ų | 152 | 64% | 0.644 | 82% | 0.816 | S | S | * | * | trans | -114 | 143.4 | -156 | -114.9 | -66.2 | 0 | 0 | 0 | 113.6 | ||||
| 63 | N | 29.3 | Very low | 33.1 | Very low | 132 Ų | 132 | 151 Ų | 151 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | 69.7 | 139.7 | 154.8 | -53.7 | -18.9 | 0 | 0 | 0 | 116.2 | ||||
| 64 | N | 28.1 | Very low | 34.2 | Very low | 155 Ų | 155 | 150.7 Ų | 150.7 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | cis | -145.1 | 160.6 | 24.4 | -104.6 | -22 | 0 | 0 | 0 | 111.9 | ||||
| 65 | E | 36.4 | Very low | 35.5 | Very low | 194 Ų | 194 | 145 Ų | 145 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | -82.2 | 143.4 | 167.9 | -63.9 | -176.7 | 126.6 | 0 | 0 | 112.8 | ||||
| 66 | S | 29.3 | Very low | 36.9 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -156.3 | 152.1 | 148.6 | 49.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 67 | P | 40.6 | Very low | 38.9 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -87.9 | 173 | -156.2 | 34.5 | -37.8 | 0 | 0 | 0 | 115.7 | ||||
| 68 | Q | 43.4 | Very low | 40.9 | Very low | 194 Ų | 194 | 139.4 Ų | 139.4 | 91% | 0.907 | 76% | 0.762 | S | S | * | * | trans | -54.1 | 144.2 | 177.6 | -61.7 | 169.4 | -91.6 | 0 | 0 | 114.2 | ||||
| 69 | E | 33.7 | Very low | 42.6 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | -121.9 | 131.4 | 154.5 | -68.2 | -171 | 139.7 | 0 | 0 | 109.7 | E71 | E69-E71 VanDerWaalsContact C-N 3.32Å; E69-E71 PolarHBondContact O-N 3.42Å | ||
| 70 | D | 42.6 | Very low | 44.6 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | -91.9 | 59.4 | -171.8 | -169.3 | 20.2 | 0 | 0 | 0 | 111.3 | G72 | D70-G72 PolarHBondContact O-N 2.82Š| ||
| 71 | E | 42.5 | Very low | 46.7 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 67.6 | -175.1 | -83.6 | -63.5 | 146 | 0 | 0 | 112.8 | E69 | E69-E71 VanDerWaalsContact C-N 3.32Å; E69-E71 PolarHBondContact O-N 3.42Å |
| 72 | G | 43.4 | Very low | 48.6 | Very low | 73 Ų | 73 | 126.5 Ų | 126.5 | 75% | 0.753 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.1 | -12.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | D70 | D70-G72 PolarHBondContact O-N 2.82Š|
| 73 | F | 48.2 | Very low | 50.4 | Low | 153 Ų | 153 | 124.4 Ų | 124.4 | 67% | 0.671 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -112.8 | -21.4 | -169 | -166.2 | -111 | 0 | 0 | 0 | 115.9 | ||
| 74 | M | 48.9 | Very low | 52.6 | Low | 187 Ų | 187 | 122.5 Ų | 122.5 | 92% | 0.921 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -105.3 | 18.6 | -163.3 | -147 | 173.7 | -64.5 | 0 | 0 | 116 | ||
| 75 | G | 54.2 | Low | 54.8 | Low | 81 Ų | 81 | 118 Ų | 118 | 84% | 0.835 | 66% | 0.663 | S | S | * | * | trans | -109 | -1.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 76 | M | 54.7 | Low | 56.5 | Low | 82 Ų | 82 | 115.1 Ų | 115.1 | 40% | 0.404 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -98.9 | 137.9 | -170 | -164.1 | 125.9 | 65.9 | 0 | 0 | 112.6 | L80 Q81 | M76-L80 HydrophobicContact CG-CB 3.86Å; M76-L80 HydrophobicContact CG-CD2 3.98Å; M76-L80 HydrophobicContact CG-CG 3.92Å; M76-L80 HydrophobicContact SD-CB 4.32Å; M76-L80 HydrophobicContact SD-CD2 3.71Å; M76-L80 HydrophobicContact SD-CG 3.7Å; M76-Q81 HydrophobicContact CG-CB 4.21Å |
| 77 | S | 67.2 | Low | 58.8 | Low | 66 Ų | 66 | 113.4 Ų | 113.4 | 46% | 0.462 | 63% | 0.631 | S | S | . | * | trans | -65.8 | 145.2 | 174.3 | 75.7 | 0 | 0 | 0 | 0 | 110.8 | L79 L80 Q81 | S77-L79 PolarHBondContact O-N 2.93Å; S77-L79 VanDerWaalsContact O-N 3.08Å; S77-L80 PolarHBondContact O-N 3.5Å; S77-L80 WeakPolarHBondContact OG-CB 3.44Å; S77-L80 PolarHBondContact OG-N 3.08Å; S77-Q81 PolarHBondContact O-N 2.7Å | ||
| 78 | P | 68.8 | Low | 60.4 | Low | 108 Ų | 108 | 116.9 Ų | 116.9 | 70% | 0.701 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -57.3 | -30.8 | -176.3 | -28.3 | 35.7 | 0 | 0 | 0 | 114 | A82 | P78-A82 WeakPolarHBondContact O-CB 3.34Å; P78-A82 PolarHBondContact O-N 2.97Å |
| 79 | L | 66.6 | Low | 61.5 | Low | 138 Ų | 138 | 113.6 Ų | 113.6 | 72% | 0.723 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.8 | -42.2 | 177.3 | -156.7 | 164.9 | 0 | 0 | 0 | 111.3 | S77 A82 H83 | S77-L79 PolarHBondContact O-N 2.93Å; S77-L79 VanDerWaalsContact O-N 3.08Å; L79-A82 PolarHBondContact O-N 3Å; L79-H83 PolarHBondContact O-N 3.38Å |
| 80 | L | 70.3 | Confident | 63.3 | Low | 84 Ų | 84 | 111.6 Ų | 111.6 | 44% | 0.44 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71.8 | -34 | 176.9 | -172.9 | 60.7 | 0 | 0 | 0 | 111.9 | M76 S77 H83 H84 | M76-L80 HydrophobicContact CG-CB 3.86Å; M76-L80 HydrophobicContact CG-CD2 3.98Å; M76-L80 HydrophobicContact CG-CG 3.92Å; M76-L80 HydrophobicContact SD-CB 4.32Å; M76-L80 HydrophobicContact SD-CD2 3.71Å; M76-L80 HydrophobicContact SD-CG 3.7Å; S77-L80 PolarHBondContact O-N 3.5Å; S77-L80 WeakPolarHBondContact OG-CB 3.44Å; S77-L80 PolarHBondContact OG-N 3.08Å; L80-H83 WeakPolarHBondContact O-CB 3.39Å; L80-H83 PolarHBondContact O-N 3.03Å; L80-H84 PolarHBondContact O-N 2.9Å |
| 81 | Q | 71.8 | Confident | 64.4 | Low | 81 Ų | 81 | 109.8 Ų | 109.8 | 38% | 0.379 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.2 | -39.6 | 172.5 | -161.4 | 176.7 | 30.1 | 0 | 0 | 111.5 | M76 S77 A85 | M76-Q81 HydrophobicContact CG-CB 4.21Å; S77-Q81 PolarHBondContact O-N 2.7Å; Q81-A85 WeakPolarHBondContact O-CB 3.49Å; Q81-A85 PolarHBondContact O-N 3.29Å |
| 82 | A | 68.9 | Low | 65.6 | Low | 50 Ų | 50 | 107.7 Ų | 107.7 | 41% | 0.413 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.9 | -38.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P78 L79 A85 M86 | P78-A82 WeakPolarHBondContact O-CB 3.34Å; P78-A82 PolarHBondContact O-N 2.97Å; L79-A82 PolarHBondContact O-N 3Å; A82-A85 PolarHBondContact O-N 2.86Å; A82-M86 WeakPolarHBondContact O-CG 3.45Å; A82-M86 PolarHBondContact O-N 3.5Å |
| 83 | H | 70.6 | Confident | 66.5 | Low | 95 Ų | 95 | 107.7 Ų | 107.7 | 44% | 0.44 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.5 | -50.2 | 176.2 | -165.9 | -78.4 | 0 | 0 | 0 | 111.9 | L79 L80 A85 M86 E87 | L79-H83 PolarHBondContact O-N 3.38Å; L80-H83 WeakPolarHBondContact O-CB 3.39Å; L80-H83 PolarHBondContact O-N 3.03Å; H83-A85 VanDerWaalsContact C-N 3.29Å; H83-A85 PolarHBondContact O-N 3.43Å; H83-M86 CarbonylContact O-C 3.6Å; H83-M86 WeakPolarHBondContact O-CA 3.37Å; H83-M86 WeakPolarHBondContact O-CB 3.46Å; H83-M86 PolarHBondContact O-N 3Å; H83-M86 VanDerWaalsContact O-N 3.08Å; H83-E87 IonicContact CE1-OE1 3.25Å; H83-E87 PolarHBondContact CE1-OE1 3.36Å; H83-E87 VanDerWaalsContact CE1-OE1 3.25Å; H83-E87 VanDerWaalsContact ND1-CD 3.33Å; H83-E87 IonicContact ND1-OE1 3.44Å; H83-E87 PolarHBondContact ND1-OE1 3.44Å; H83-E87 IonicContact ND1-OE2 3.45Å; H83-E87 PolarHBondContact ND1-OE2 3.45Å; H83-E87 PolarHBondContact O-N 3.25Å |
| 84 | H | 75.3 | Confident | 66.8 | Low | 92 Ų | 92 | 103.3 Ų | 103.3 | 43% | 0.426 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.3 | -31.3 | 175.3 | -91.6 | -29 | 0 | 0 | 0 | 113.2 | L80 E87 R88 | L80-H84 PolarHBondContact O-N 2.9Å; H84-E87 IonicContact CE1-OE2 3.5Å; H84-E87 PolarHBondContact CE1-OE2 3.08Å; H84-E87 IonicContact CG-OE2 3.72Å; H84-E87 IonicContact ND1-OE2 2.7Å; H84-E87 PolarHBondContact ND1-OE2 3.05Å; H84-R88 WeakPolarHBondContact O-CB 3.49Å; H84-R88 WeakPolarHBondContact O-CG 3.43Å; H84-R88 PolarHBondContact O-N 3.28Å |
| 85 | A | 73.6 | Confident | 67.1 | Low | 60 Ų | 60 | 100.2 Ų | 100.2 | 50% | 0.496 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.5 | -37.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q81 A82 H83 M89 | Q81-A85 WeakPolarHBondContact O-CB 3.49Å; Q81-A85 PolarHBondContact O-N 3.29Å; A82-A85 PolarHBondContact O-N 2.86Å; H83-A85 VanDerWaalsContact C-N 3.29Å; H83-A85 PolarHBondContact O-N 3.43Å; A85-M89 VanDerWaalsContact O-CB 3.31Å; A85-M89 WeakPolarHBondContact O-CB 3.45Å; A85-M89 PolarHBondContact O-N 3.29Å |
| 86 | M | 71.9 | Confident | 67.3 | Low | 134 Ų | 134 | 99.4 Ų | 99.4 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.4 | -45.5 | 173.5 | -75.1 | 177.6 | 58.5 | 0 | 0 | 112.2 | A82 H83 R88 M89 E90 | A82-M86 WeakPolarHBondContact O-CG 3.45Å; A82-M86 PolarHBondContact O-N 3.5Å; H83-M86 CarbonylContact O-C 3.6Å; H83-M86 WeakPolarHBondContact O-CA 3.37Å; H83-M86 WeakPolarHBondContact O-CB 3.46Å; H83-M86 PolarHBondContact O-N 3Å; H83-M86 VanDerWaalsContact O-N 3.08Å; M86-R88 VanDerWaalsContact C-N 3.35Å; M86-R88 PolarHBondContact O-N 3.29Å; M86-M89 CarbonylContact O-C 3.59Å; M86-M89 WeakPolarHBondContact O-CB 3.5Å; M86-M89 PolarHBondContact O-N 3.47Å; M86-M89 VanDerWaalsContact O-N 3.12Å; M86-E90 WeakPolarHBondContact O-CB 3.4Å; M86-E90 PolarHBondContact O-N 3.3Å |
| 87 | E | 78 | Confident | 67.2 | Low | 78 Ų | 78 | 99.4 Ų | 99.4 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60 | -43.2 | 175.7 | -72.4 | 170.4 | 142.4 | 0 | 0 | 111.7 | H83 H84 M89 E90 E91 | H83-E87 IonicContact CE1-OE1 3.25Å; H83-E87 PolarHBondContact CE1-OE1 3.36Å; H83-E87 VanDerWaalsContact CE1-OE1 3.25Å; H83-E87 VanDerWaalsContact ND1-CD 3.33Å; H83-E87 IonicContact ND1-OE1 3.44Å; H83-E87 PolarHBondContact ND1-OE1 3.44Å; H83-E87 IonicContact ND1-OE2 3.45Å; H83-E87 PolarHBondContact ND1-OE2 3.45Å; H83-E87 PolarHBondContact O-N 3.25Å; H84-E87 IonicContact CE1-OE2 3.5Å; H84-E87 PolarHBondContact CE1-OE2 3.08Å; H84-E87 IonicContact CG-OE2 3.72Å; H84-E87 IonicContact ND1-OE2 2.7Å; H84-E87 PolarHBondContact ND1-OE2 3.05Å; E87-M89 VanDerWaalsContact C-N 3.35Å; E87-M89 PolarHBondContact O-N 2.83Å; E87-E90 PolarHBondContact O-N 2.59Å; E87-E91 WeakPolarHBondContact O-CB 3.4Å; E87-E91 PolarHBondContact O-N 3.08Å |
| 88 | R | 73.1 | Confident | 66.5 | Low | 199 Ų | 199 | 101.9 Ų | 101.9 | 75% | 0.751 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.9 | -34.6 | 174.5 | -72.2 | -175.8 | -175.8 | -163.9 | 4.2 | 112.7 | H84 M86 F92 | H84-R88 WeakPolarHBondContact O-CB 3.49Å; H84-R88 WeakPolarHBondContact O-CG 3.43Å; H84-R88 PolarHBondContact O-N 3.28Å; M86-R88 VanDerWaalsContact C-N 3.35Å; M86-R88 PolarHBondContact O-N 3.29Å; R88-F92 WeakPolarHBondContact O-CB 3.19Å; R88-F92 PolarHBondContact O-N 3.47Å |
| 89 | M | 67.6 | Low | 65.6 | Low | 124 Ų | 124 | 100 Ų | 100 | 61% | 0.611 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.5 | -42.6 | 172.7 | -172.4 | 78.4 | 74.6 | 0 | 0 | 110.8 | A85 M86 E87 F92 V93 | A85-M89 VanDerWaalsContact O-CB 3.31Å; A85-M89 WeakPolarHBondContact O-CB 3.45Å; A85-M89 PolarHBondContact O-N 3.29Å; M86-M89 CarbonylContact O-C 3.59Å; M86-M89 WeakPolarHBondContact O-CB 3.5Å; M86-M89 PolarHBondContact O-N 3.47Å; M86-M89 VanDerWaalsContact O-N 3.12Å; E87-M89 VanDerWaalsContact C-N 3.35Å; E87-M89 PolarHBondContact O-N 2.83Å; M89-F92 PolarHBondContact O-N 3.24Å; M89-V93 VanDerWaalsContact O-CB 3.32Å; M89-V93 WeakPolarHBondContact O-CB 3.31Å; M89-V93 VanDerWaalsContact O-CG2 3.22Å; M89-V93 WeakPolarHBondContact O-CG2 3.45Å; M89-V93 PolarHBondContact O-N 3.19Å |
| 90 | E | 71.9 | Confident | 65.9 | Low | 133 Ų | 133 | 102.8 Ų | 102.8 | 62% | 0.621 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.4 | -45.8 | 179.3 | -173 | 166.2 | -163.9 | 0 | 0 | 111.4 | M86 E87 F92 V93 C94 | M86-E90 WeakPolarHBondContact O-CB 3.4Å; M86-E90 PolarHBondContact O-N 3.3Å; E87-E90 PolarHBondContact O-N 2.59Å; E90-F92 VanDerWaalsContact C-N 3.34Å; E90-F92 PolarHBondContact O-N 2.87Å; E90-V93 PolarHBondContact O-N 3.12Å; E90-C94 WeakPolarHBondContact O-CB 3.4Å; E90-C94 PolarHBondContact O-N 3.48Å; E90-C94 PolarHBondContact O-SG 2.94Å |
| 91 | E | 64.8 | Low | 66.8 | Low | 110 Ų | 110 | 100.1 Ų | 100.1 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.1 | -44.6 | 169.8 | -88.7 | -159.7 | -155.4 | 0 | 0 | 112.2 | E87 C94 K95 | E87-E91 WeakPolarHBondContact O-CB 3.4Å; E87-E91 PolarHBondContact O-N 3.08Å; E91-C94 PolarHBondContact O-N 3.34Å; E91-K95 VanDerWaalsContact O-CB 3.3Å; E91-K95 WeakPolarHBondContact O-CB 3.31Å; E91-K95 WeakPolarHBondContact O-CD 3.23Å; E91-K95 VanDerWaalsContact O-CG 3.23Å; E91-K95 WeakPolarHBondContact O-CG 3.41Å; E91-K95 PolarHBondContact O-N 2.79Å; E91-K95 IonicContact OE2-NZ 2.59Å; E91-K95 PolarHBondContact OE2-NZ 2.83Å |
| 92 | F | 67.3 | Low | 67.9 | Low | 133 Ų | 133 | 106 Ų | 106 | 58% | 0.583 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.3 | -42.8 | 179.3 | 179.4 | -102.9 | 0 | 0 | 0 | 111.5 | R88 M89 E90 K95 V96 | R88-F92 WeakPolarHBondContact O-CB 3.19Å; R88-F92 PolarHBondContact O-N 3.47Å; M89-F92 PolarHBondContact O-N 3.24Å; E90-F92 VanDerWaalsContact C-N 3.34Å; E90-F92 PolarHBondContact O-N 2.87Å; F92-K95 PolarHBondContact O-N 2.79Å; F92-V96 HydrophobicContact CD1-CG2 4.27Å; F92-V96 HydrophobicContact CD2-CG2 4.18Å; F92-V96 HydrophobicContact CE1-CG2 3.93Å; F92-V96 HydrophobicContact CE2-CG2 3.83Å; F92-V96 HydrophobicContact CG-CG2 4.4Å; F92-V96 HydrophobicContact CZ-CG2 3.7Å; F92-V96 VanDerWaalsContact O-CB 3.28Å; F92-V96 WeakPolarHBondContact O-CB 3.22Å; F92-V96 VanDerWaalsContact O-CG2 3.24Å; F92-V96 WeakPolarHBondContact O-CG2 3.32Å; F92-V96 PolarHBondContact O-N 3.37Å |
| 93 | V | 62.5 | Low | 69.2 | Low | 74 Ų | 74 | 105.8 Ų | 105.8 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.2 | -48.6 | 174.2 | 165.7 | 0 | 0 | 0 | 0 | 110 | M89 E90 V96 W97 | M89-V93 VanDerWaalsContact O-CB 3.32Å; M89-V93 WeakPolarHBondContact O-CB 3.31Å; M89-V93 VanDerWaalsContact O-CG2 3.22Å; M89-V93 WeakPolarHBondContact O-CG2 3.45Å; M89-V93 PolarHBondContact O-N 3.19Å; E90-V93 PolarHBondContact O-N 3.12Å; V93-V96 PolarHBondContact O-N 2.94Å; V93-W97 WeakPolarHBondContact O-CB 3.3Å; V93-W97 PolarHBondContact O-N 2.82Å |
| 94 | C | 55.7 | Low | 70.5 | Confident | 60 Ų | 60 | 102.9 Ų | 102.9 | 41% | 0.405 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.7 | -51.5 | 174.6 | -77.4 | 0 | 0 | 0 | 0 | 111.7 | E90 E91 V96 W97 E98 | E90-C94 WeakPolarHBondContact O-CB 3.4Å; E90-C94 PolarHBondContact O-N 3.48Å; E90-C94 PolarHBondContact O-SG 2.94Å; E91-C94 PolarHBondContact O-N 3.34Å; C94-V96 VanDerWaalsContact C-N 3.32Å; C94-V96 PolarHBondContact O-N 3.44Å; C94-W97 CarbonylContact O-C 3.17Å; C94-W97 WeakPolarHBondContact O-CA 3.38Å; C94-W97 WeakPolarHBondContact O-CB 3.17Å; C94-W97 PolarHBondContact O-N 3.42Å; C94-E98 WeakPolarHBondContact O-CB 3.33Å; C94-E98 WeakPolarHBondContact O-CG 3.24Å; C94-E98 PolarHBondContact O-N 2.86Å |
| 95 | K | 54.8 | Low | 71.6 | Confident | 122 Ų | 122 | 100.5 Ų | 100.5 | 53% | 0.53 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61 | -36.3 | 178.8 | -73.1 | 164 | 180 | 170.8 | 0 | 112.8 | E91 F92 W97 G99 | E91-K95 VanDerWaalsContact O-CB 3.3Å; E91-K95 WeakPolarHBondContact O-CB 3.31Å; E91-K95 WeakPolarHBondContact O-CD 3.23Å; E91-K95 VanDerWaalsContact O-CG 3.23Å; E91-K95 WeakPolarHBondContact O-CG 3.41Å; E91-K95 PolarHBondContact O-N 2.79Å; E91-K95 IonicContact OE2-NZ 2.59Å; E91-K95 PolarHBondContact OE2-NZ 2.83Å; F92-K95 PolarHBondContact O-N 2.79Å; K95-W97 VanDerWaalsContact C-N 3.33Å; K95-G99 WeakPolarHBondContact O-CA 3.28Å; K95-G99 PolarHBondContact O-N 3.39Å |
| 96 | V | 57.6 | Low | 72.7 | Confident | 65 Ų | 65 | 98.9 Ų | 98.9 | 39% | 0.394 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -76.3 | -18.7 | 174.3 | 171 | 0 | 0 | 0 | 0 | 112.8 | F92 V93 C94 | F92-V96 HydrophobicContact CD1-CG2 4.27Å; F92-V96 HydrophobicContact CD2-CG2 4.18Å; F92-V96 HydrophobicContact CE1-CG2 3.93Å; F92-V96 HydrophobicContact CE2-CG2 3.83Å; F92-V96 HydrophobicContact CG-CG2 4.4Å; F92-V96 HydrophobicContact CZ-CG2 3.7Å; F92-V96 VanDerWaalsContact O-CB 3.28Å; F92-V96 WeakPolarHBondContact O-CB 3.22Å; F92-V96 VanDerWaalsContact O-CG2 3.24Å; F92-V96 WeakPolarHBondContact O-CG2 3.32Å; F92-V96 PolarHBondContact O-N 3.37Å; V93-V96 PolarHBondContact O-N 2.94Å; C94-V96 VanDerWaalsContact C-N 3.32Å; C94-V96 PolarHBondContact O-N 3.44Å |
| 97 | W | 53.4 | Low | 73.9 | Confident | 82 Ų | 82 | 97.9 Ų | 97.9 | 31% | 0.311 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -91 | -37.6 | 179 | -165.2 | -87.8 | 0 | 0 | 0 | 112.6 | V93 C94 K95 K135 F138 R139 | V93-W97 WeakPolarHBondContact O-CB 3.3Å; V93-W97 PolarHBondContact O-N 2.82Å; C94-W97 CarbonylContact O-C 3.17Å; C94-W97 WeakPolarHBondContact O-CA 3.38Å; C94-W97 WeakPolarHBondContact O-CB 3.17Å; C94-W97 PolarHBondContact O-N 3.42Å; K95-W97 VanDerWaalsContact C-N 3.33Å; W97-K135 HydrophobicContact CH2-CD 4.49Å; W97-K135 VanDerWaalsContact CH2-CE 3.45Å; W97-K135 HydrophobicContact CH2-CG 4.11Å; W97-K135 HydrophobicContact CZ2-CG 4.4Å; W97-K135 HydrophobicContact CZ3-CD 4.42Å; W97-F138 HydrophobicContact CH2-CB 3.93Å; W97-F138 HydrophobicContact CZ2-CB 3.77Å; W97-F138 WeakPolarHBondContact CZ2-O 3.4Å; W97-R139 HydrophobicContact CZ2-CG 4.11Å |
| 98 | E | 52.3 | Low | 74.8 | Confident | 118 Ų | 118 | 98.3 Ų | 98.3 | 55% | 0.551 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -76.4 | -42 | 172.1 | -66.7 | -178.9 | 135 | 0 | 0 | 112 | C94 R100 W101 | C94-E98 WeakPolarHBondContact O-CB 3.33Å; C94-E98 WeakPolarHBondContact O-CG 3.24Å; C94-E98 PolarHBondContact O-N 2.86Å; E98-R100 PolarHBondContact O-N 2.78Å; E98-W101 PolarHBondContact O-N 2.95Å |
| 99 | G | 50.4 | Low | 76 | Confident | 67 Ų | 67 | 89.2 Ų | 89.2 | 69% | 0.691 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 28.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | K95 | K95-G99 WeakPolarHBondContact O-CA 3.28Å; K95-G99 PolarHBondContact O-N 3.39Å |
| 100 | R | 71.9 | Confident | 77.4 | Confident | 197 Ų | 197 | 85.1 Ų | 85.1 | 74% | 0.743 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.9 | -29.4 | 170.6 | -67.3 | -168.2 | 178.4 | -134.4 | -5 | 114 | E98 | E98-R100 PolarHBondContact O-N 2.78Š|
| 101 | W | 90.5 | Very high | 78.5 | Confident | 29 Ų | 29 | 84.8 Ų | 84.8 | 11% | 0.11 | 43% | 0.428 | C | S | . | . | trans | -168.3 | 149.1 | 173.2 | 61.4 | -87.8 | 0 | 0 | 0 | 111.8 | E98 V103 R124 P125 M127 R139 H141 | E98-W101 PolarHBondContact O-N 2.95Å; W101-V103 HydrophobicContact CZ3-CG1 3.83Å; W101-R124 HydrophobicContact CH2-CG 3.72Å; W101-R124 HydrophobicContact CZ2-CG 4.45Å; W101-R124 HydrophobicContact CZ3-CB 4.48Å; W101-R124 HydrophobicContact CZ3-CG 3.86Å; W101-P125 HydrophobicContact CB-CG 3.96Å; W101-P125 HydrophobicContact CE3-CG 4.28Å; W101-M127 HydrophobicContact CB-SD 4.05Å; W101-M127 HydrophobicContact CD2-CE 4.13Å; W101-M127 HydrophobicContact CD2-SD 3.9Å; W101-M127 HydrophobicContact CG-CE 4.38Å; W101-M127 HydrophobicContact CG-SD 3.52Å; W101-M127 VanDerWaalsContact CG-SD 3.52Å; W101-M127 HydrophobicContact CZ2-CE 4.31Å; W101-R139 HydrophobicContact CH2-CB 4.27Å; W101-R139 HydrophobicContact CZ2-CB 4.18Å; W101-R139 HydrophobicContact CZ2-CG 4.33Å; W101-R139 PolarHBondContact O-NH1 3.26Å; W101-H141 HydrophobicContact CH2-CB 4.49Å; W101-H141 AromaticContact CH2-CD2 3.86Å | ||
| 102 | R | 94.1 | Very high | 80 | Confident | 205 Ų | 205 | 82.7 Ų | 82.7 | 77% | 0.774 | 42% | 0.415 | S | S | * | . | trans | -111.8 | 155.1 | 169.7 | -68.5 | 177.6 | 64.9 | -178.5 | -0.4 | 109.5 | P125 | R102-P125 WeakPolarHBondContact O-CD 3.43Š| ||
| 103 | V | 96.6 | Very high | 81.4 | Confident | 44 Ų | 44 | 76.9 Ų | 76.9 | 27% | 0.267 | 39% | 0.39 | S | S | . | . | trans | -66.2 | 149.6 | 169.9 | -72.1 | 0 | 0 | 0 | 0 | 110.5 | W101 G122 H123 H141 | W101-V103 HydrophobicContact CZ3-CG1 3.83Å; V103-G122 WeakPolarHBondContact CG1-O 3.34Å; V103-H123 CarbonylContact C-O 3.52Å; V103-H123 WeakPolarHBondContact CA-O 3.34Å; V103-H123 WeakPolarHBondContact CB-O 3.43Å; V103-H141 HydrophobicContact CG1-CB 4.17Å | ||
| 104 | I | 97.1 | Very high | 83 | Confident | 35 Ų | 35 | 76.2 Ų | 76.2 | 18% | 0.179 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -122.2 | 157.4 | -177.1 | 54.3 | 168.9 | 0 | 0 | 0 | 111.7 | V108 L109 G122 H123 P125 | I104-V108 HydrophobicContact CB-CG2 3.97Å; I104-V108 HydrophobicContact CD1-CG2 4.18Å; I104-L109 HydrophobicContact CD1-CD2 3.62Å; I104-L109 HydrophobicContact CD1-CG 4.41Å; I104-L109 HydrophobicContact CG1-CD2 4.25Å; I104-G122 PolarHBondContact O-N 3.34Å; I104-H123 HydrophobicContact CG1-CB 4.2Å; I104-H123 PolarHBondContact N-O 3.3Å; I104-H123 PolarHBondContact O-N 2.89Å; I104-H123 VanDerWaalsContact O-N 3.16Å; I104-P125 HydrophobicContact CD1-CB 4.06Å |
| 105 | P | 97.8 | Very high | 84.8 | Confident | 42 Ų | 42 | 75.4 Ų | 75.4 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | trans | -73.7 | 166.9 | 169.7 | 32.1 | -35.1 | 0 | 0 | 0 | 112.2 | D107 V108 L120 | P105-D107 VanDerWaalsContact CB-OD1 3.22Å; P105-D107 WeakPolarHBondContact CB-OD1 3.49Å; P105-D107 VanDerWaalsContact CG-OD1 3.25Å; P105-D107 WeakPolarHBondContact CG-OD1 3.48Å; P105-V108 HydrophobicContact CG-CG2 3.97Å; P105-V108 WeakPolarHBondContact O-CG2 3.39Å; P105-L120 CarbonylContact C-O 3.57Å; P105-L120 WeakPolarHBondContact CA-O 3.14Å | ||
| 106 | H | 97.8 | Very high | 86.7 | Confident | 25 Ų | 25 | 70.1 Ų | 70.1 | 12% | 0.116 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -70.8 | -32.9 | -173.2 | -176.2 | 92.5 | 0 | 0 | 0 | 114.4 | V108 L109 N116 L120 H123 | H106-V108 VanDerWaalsContact C-N 3.35Å; H106-V108 PolarHBondContact O-N 3.48Å; H106-L109 HydrophobicContact CB-CD1 4.47Å; H106-L109 WeakPolarHBondContact O-CB 3.3Å; H106-L109 PolarHBondContact O-N 3.3Å; H106-N116 PolarHBondContact CE1-O 2.88Å; H106-N116 VanDerWaalsContact CE1-O 3.26Å; H106-N116 PolarHBondContact ND1-O 2.79Å; H106-L120 PolarHBondContact N-O 3.27Å; H106-H123 AromaticContact ND1-NE2 3.76Å |
| 107 | D | 97.1 | Very high | 88.6 | Confident | 114 Ų | 114 | 71.2 Ų | 71.2 | 61% | 0.61 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -39.7 | -176.2 | 60.6 | -54.5 | 0 | 0 | 0 | 112.6 | P105 L109 | P105-D107 VanDerWaalsContact CB-OD1 3.22Å; P105-D107 WeakPolarHBondContact CB-OD1 3.49Å; P105-D107 VanDerWaalsContact CG-OD1 3.25Å; P105-D107 WeakPolarHBondContact CG-OD1 3.48Å; D107-L109 VanDerWaalsContact C-N 3.29Å; D107-L109 PolarHBondContact O-N 3.31Å |
| 108 | V | 97.3 | Very high | 90.7 | Very high | 86 Ų | 86 | 69.7 Ų | 69.7 | 52% | 0.521 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 4.9 | 179.5 | -55.8 | 0 | 0 | 0 | 0 | 114.4 | I104 P105 H106 | I104-V108 HydrophobicContact CB-CG2 3.97Å; I104-V108 HydrophobicContact CD1-CG2 4.18Å; P105-V108 HydrophobicContact CG-CG2 3.97Å; P105-V108 WeakPolarHBondContact O-CG2 3.39Å; H106-V108 VanDerWaalsContact C-N 3.35Å; H106-V108 PolarHBondContact O-N 3.48Å |
| 109 | L | 97.3 | Very high | 92.9 | Very high | 8 Ų | 8 | 64.7 Ų | 64.7 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -68.4 | 149.3 | 174.9 | -72.7 | 170.8 | 0 | 0 | 0 | 111.7 | I104 H106 D107 L113 K114 H123 | I104-L109 HydrophobicContact CD1-CD2 3.62Å; I104-L109 HydrophobicContact CD1-CG 4.41Å; I104-L109 HydrophobicContact CG1-CD2 4.25Å; H106-L109 HydrophobicContact CB-CD1 4.47Å; H106-L109 WeakPolarHBondContact O-CB 3.3Å; H106-L109 PolarHBondContact O-N 3.3Å; D107-L109 VanDerWaalsContact C-N 3.29Å; D107-L109 PolarHBondContact O-N 3.31Å; L109-L113 HydrophobicContact CB-CB 4.36Å; L109-L113 HydrophobicContact CD1-CB 4.41Å; L109-L113 HydrophobicContact CD2-CB 3.98Å; L109-L113 HydrophobicContact CD2-CD1 4.08Å; L109-K114 HydrophobicContact CB-CG 3.82Å; L109-K114 HydrophobicContact CD1-CG 4.38Å; L109-K114 WeakPolarHBondContact O-CE 2.98Å; L109-K114 PolarHBondContact O-NZ 3.42Å; L109-H123 HydrophobicContact CD1-CB 4.21Å; L109-H123 HydrophobicContact CD2-CB 3.98Å; L109-H123 HydrophobicContact CG-CB 4.47Å |
| 110 | P | 96.6 | Very high | 95.1 | Very high | 38 Ų | 38 | 65.4 Ų | 65.4 | 25% | 0.247 | 31% | 0.313 | C | S | . | . | trans | -70.6 | 149.7 | 160.5 | 34 | -35.4 | 0 | 0 | 0 | 109.8 | W112 L113 P126 | P110-W112 VanDerWaalsContact C-N 3.26Å; P110-W112 HydrophobicContact CG-CZ2 4.06Å; P110-W112 PolarHBondContact O-N 3.11Å; P110-W112 VanDerWaalsContact O-N 3.12Å; P110-L113 HydrophobicContact CG-CB 4.35Å; P110-L113 HydrophobicContact CG-CD1 3.86Å; P110-L113 HydrophobicContact CG-CG 4.09Å; P110-L113 PolarHBondContact O-N 3.45Å; P110-P126 HydrophobicContact CG-CG 4.48Å | ||
| 111 | D | 95.9 | Very high | 96.4 | Very high | 126 Ų | 126 | 60.5 Ų | 60.5 | 67% | 0.674 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -66 | -24.8 | -164.3 | -55.4 | -44.2 | 0 | 0 | 0 | 114.6 | L113 K114 | D111-L113 PolarHBondContact O-N 3.16Å; D111-K114 PolarHBondContact O-N 2.94Å; D111-K114 VanDerWaalsContact O-N 3.08Å; D111-K114 IonicContact OD1-NZ 2.75Å; D111-K114 PolarHBondContact OD1-NZ 2.81Å |
| 112 | W | 96.2 | Very high | 96.7 | Very high | 67 Ų | 67 | 59.3 Ų | 59.3 | 25% | 0.254 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -70.6 | -7.9 | 172.9 | 60.8 | -90.6 | 0 | 0 | 0 | 114.4 | P110 P126 Y203 S206 E207 | P110-W112 VanDerWaalsContact C-N 3.26Å; P110-W112 HydrophobicContact CG-CZ2 4.06Å; P110-W112 PolarHBondContact O-N 3.11Å; P110-W112 VanDerWaalsContact O-N 3.12Å; W112-P126 HydrophobicContact CH2-CB 4.4Å; W112-P126 HydrophobicContact CZ2-CB 4.08Å; W112-Y203 VanDerWaalsContact CZ3-O 3.31Å; W112-Y203 WeakPolarHBondContact CZ3-O 3.4Å; W112-Y203 PolarHBondContact O-OH 3.04Å; W112-S206 VanDerWaalsContact CH2-C 3.49Å; W112-E207 HydrophobicContact CB-CB 4.46Å; W112-E207 HydrophobicContact CB-CG 3.84Å; W112-E207 HydrophobicContact CD2-CB 3.93Å; W112-E207 HydrophobicContact CD2-CG 4.28Å; W112-E207 HydrophobicContact CE3-CB 4.43Å; W112-E207 HydrophobicContact CG-CB 3.91Å; W112-E207 HydrophobicContact CG-CG 3.81Å |
| 113 | L | 97.2 | Very high | 96.9 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -103.4 | -4.4 | 168.9 | -65.5 | -179.9 | 0 | 0 | 0 | 113.4 | L109 P110 D111 D115 Y203 | L109-L113 HydrophobicContact CB-CB 4.36Å; L109-L113 HydrophobicContact CD1-CB 4.41Å; L109-L113 HydrophobicContact CD2-CB 3.98Å; L109-L113 HydrophobicContact CD2-CD1 4.08Å; P110-L113 HydrophobicContact CG-CB 4.35Å; P110-L113 HydrophobicContact CG-CD1 3.86Å; P110-L113 HydrophobicContact CG-CG 4.09Å; P110-L113 PolarHBondContact O-N 3.45Å; D111-L113 PolarHBondContact O-N 3.16Å; L113-D115 VanDerWaalsContact C-N 3.33Å; L113-D115 PolarHBondContact O-N 2.96Å; L113-D115 VanDerWaalsContact O-N 3.12Å; L113-Y203 WeakPolarHBondContact CA-OH 3.35Å; L113-Y203 HydrophobicContact CD2-CD1 4Å; L113-Y203 HydrophobicContact CD2-CD2 4.22Å; L113-Y203 HydrophobicContact CD2-CE1 3.73Å; L113-Y203 HydrophobicContact CD2-CE2 3.95Å; L113-Y203 HydrophobicContact CD2-CG 4.24Å; L113-Y203 WeakPolarHBondContact CD2-O 3.46Å; L113-Y203 PolarHBondContact O-OH 3.15Å |
| 114 | K | 95.8 | Very high | 96.9 | Very high | 60 Ų | 60 | 48.6 Ų | 48.6 | 26% | 0.261 | 25% | 0.251 | S | S | . | . | trans | -87.5 | 61.3 | -179.2 | -66.8 | -177.8 | -176.3 | 142.1 | 0 | 112.3 | L109 D111 P270 | L109-K114 HydrophobicContact CB-CG 3.82Å; L109-K114 HydrophobicContact CD1-CG 4.38Å; L109-K114 WeakPolarHBondContact O-CE 2.98Å; L109-K114 PolarHBondContact O-NZ 3.42Å; D111-K114 PolarHBondContact O-N 2.94Å; D111-K114 VanDerWaalsContact O-N 3.08Å; D111-K114 IonicContact OD1-NZ 2.75Å; D111-K114 PolarHBondContact OD1-NZ 2.81Å; K114-P270 WeakPolarHBondContact O-CG 3.2Å | ||
| 115 | D | 92.6 | Very high | 96.9 | Very high | 43 Ų | 43 | 48 Ų | 48 | 23% | 0.23 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -72.3 | -44.1 | 175.6 | -177.5 | 59.3 | 0 | 0 | 0 | 112.6 | L113 R273 R276 | L113-D115 VanDerWaalsContact C-N 3.33Å; L113-D115 PolarHBondContact O-N 2.96Å; L113-D115 VanDerWaalsContact O-N 3.12Å; D115-R273 PolarHBondContact O-NH1 2.91Å; D115-R273 PolarHBondContact O-NH2 3.44Å; D115-R273 IonicContact OD1-CZ 3.63Å; D115-R273 IonicContact OD1-NH2 3.67Å; D115-R273 PolarHBondContact OD1-NH2 2.86Å; D115-R273 VanDerWaalsContact OD1-NH2 3.12Å; D115-R273 IonicContact OD2-CZ 2.69Å; D115-R273 IonicContact OD2-NH2 3.59Å; D115-R273 PolarHBondContact OD2-NH2 2.67Å; D115-R276 IonicContact OD1-NH2 2.79Å |
| 116 | N | 95.9 | Very high | 96.9 | Very high | 11 Ų | 11 | 49 Ų | 49 | 6% | 0.059 | 26% | 0.256 | C | S | . | . | trans | -133 | 107.7 | -170.8 | -168.2 | -4.6 | 0 | 0 | 0 | 112.3 | H106 Y118 L119 R329 E332 | H106-N116 PolarHBondContact CE1-O 2.88Å; H106-N116 VanDerWaalsContact CE1-O 3.26Å; H106-N116 PolarHBondContact ND1-O 2.79Å; N116-Y118 VanDerWaalsContact C-N 3.25Å; N116-Y118 PolarHBondContact O-N 3.44Å; N116-Y118 PolarHBondContact OD1-N 3.12Å; N116-L119 HydrophobicContact CB-CD1 4.21Å; N116-L119 HydrophobicContact CB-CG 4.25Å; N116-L119 PolarHBondContact O-N 2.9Å; N116-R329 WeakPolarHBondContact OD1-CD 3.48Å; N116-R329 PolarHBondContact OD1-NH1 3.29Å; N116-E332 PolarHBondContact ND2-OE1 3.31Å | ||
| 117 | D | 96.6 | Very high | 96.8 | Very high | 88 Ų | 88 | 48.7 Ų | 48.7 | 47% | 0.471 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -4.8 | -179.7 | 61.1 | -44 | 0 | 0 | 0 | 114.8 | L120 R329 | D117-L120 WeakPolarHBondContact O-CD2 3.49Å; D117-R329 IonicContact OD1-CZ 3.38Å; D117-R329 IonicContact OD1-NH1 2.64Å; D117-R329 PolarHBondContact OD1-NH1 2.9Å; D117-R329 IonicContact OD1-NH2 3.15Å; D117-R329 PolarHBondContact OD1-NH2 2.87Å; D117-R329 VanDerWaalsContact OD1-NH2 3.15Å |
| 118 | Y | 97.8 | Very high | 96.7 | Very high | 50 Ų | 50 | 48.2 Ų | 48.2 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -13.9 | 173.8 | -57.6 | -34.6 | 0 | 0 | 0 | 113.7 | N116 R329 E332 R333 P336 G337 | N116-Y118 VanDerWaalsContact C-N 3.25Å; N116-Y118 PolarHBondContact O-N 3.44Å; N116-Y118 PolarHBondContact OD1-N 3.12Å; Y118-R329 HydrophobicContact CD2-CB 3.94Å; Y118-R329 HydrophobicContact CE2-CB 4.05Å; Y118-R329 VanDerWaalsContact CE2-CZ 3.4Å; Y118-E332 HydrophobicContact CD2-CG 4.15Å; Y118-E332 HydrophobicContact CG-CG 4.41Å; Y118-R333 HydrophobicContact CD2-CB 3.79Å; Y118-R333 HydrophobicContact CD2-CG 4.33Å; Y118-R333 HydrophobicContact CE2-CB 3.53Å; Y118-R333 HydrophobicContact CE2-CG 3.6Å; Y118-P336 HydrophobicContact CD1-CG 4.44Å; Y118-P336 WeakPolarHBondContact O-CA 3.25Å; Y118-G337 PolarHBondContact O-N 2.85Å |
| 119 | L | 98 | Very high | 96.6 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | trans | -92.7 | 104.3 | 174.2 | -53.1 | -179.4 | 0 | 0 | 0 | 107.7 | N116 H123 E332 D340 H344 | N116-L119 HydrophobicContact CB-CD1 4.21Å; N116-L119 HydrophobicContact CB-CG 4.25Å; N116-L119 PolarHBondContact O-N 2.9Å; L119-H123 PolarHBondContact O-NE2 3.43Å; L119-E332 HydrophobicContact CD2-CB 4Å; L119-E332 HydrophobicContact CD2-CG 4.01Å; L119-D340 WeakPolarHBondContact CA-OD1 3.29Å; L119-H344 HydrophobicContact CD2-CB 3.77Å | ||
| 120 | L | 98.1 | Very high | 96.6 | Very high | 82 Ų | 82 | 50.9 Ų | 50.9 | 43% | 0.429 | 27% | 0.27 | S | S | . | . | trans | -90.9 | -33.4 | -162.5 | -60.1 | -176.1 | 0 | 0 | 0 | 113.6 | P105 H106 D117 P336 D340 | P105-L120 CarbonylContact C-O 3.57Å; P105-L120 WeakPolarHBondContact CA-O 3.14Å; H106-L120 PolarHBondContact N-O 3.27Å; D117-L120 WeakPolarHBondContact O-CD2 3.49Å; L120-P336 HydrophobicContact CD1-CB 4.14Å; L120-P336 HydrophobicContact CG-CB 4.42Å; L120-D340 PolarHBondContact N-OD1 3.4Å; L120-D340 PolarHBondContact N-OD2 2.97Å | ||
| 121 | H | 97.4 | Very high | 96.6 | Very high | 94 Ų | 94 | 59.1 Ų | 59.1 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -135.4 | 177.2 | -179 | -153.9 | -88.6 | 0 | 0 | 0 | 111.7 | T142 D340 | H121-T142 VanDerWaalsContact O-CG2 3.3Å; H121-T142 WeakPolarHBondContact O-CG2 3.34Å; H121-D340 WeakPolarHBondContact CA-OD2 3.45Å; H121-D340 PolarHBondContact N-OD2 3.4Å |
| 122 | G | 97.1 | Very high | 96.6 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | trans | 85.9 | 7.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V103 I104 H141 T142 | V103-G122 WeakPolarHBondContact CG1-O 3.34Å; I104-G122 PolarHBondContact O-N 3.34Å; G122-H141 CarbonylContact O-C 3.4Å; G122-H141 VanDerWaalsContact O-CA 3.24Å; G122-H141 WeakPolarHBondContact O-CA 3.24Å; G122-H141 VanDerWaalsContact O-CB 3.24Å; G122-H141 WeakPolarHBondContact O-CB 3.42Å; G122-T142 PolarHBondContact O-N 3.23Å | ||
| 123 | H | 98.4 | Very high | 96.7 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -74.2 | 152.5 | -179.3 | -63.5 | -71.3 | 0 | 0 | 0 | 112.1 | V103 I104 H106 L109 L119 T142 | V103-H123 CarbonylContact C-O 3.52Å; V103-H123 WeakPolarHBondContact CA-O 3.34Å; V103-H123 WeakPolarHBondContact CB-O 3.43Å; I104-H123 HydrophobicContact CG1-CB 4.2Å; I104-H123 PolarHBondContact N-O 3.3Å; I104-H123 PolarHBondContact O-N 2.89Å; I104-H123 VanDerWaalsContact O-N 3.16Å; H106-H123 AromaticContact ND1-NE2 3.76Å; L109-H123 HydrophobicContact CD1-CB 4.21Å; L109-H123 HydrophobicContact CD2-CB 3.98Å; L109-H123 HydrophobicContact CG-CB 4.47Å; L119-H123 PolarHBondContact O-NE2 3.43Å; H123-T142 WeakPolarHBondContact ND1-CG2 3.03Å; H123-T142 PolarHBondContact ND1-OG1 3.15Å |
| 124 | R | 98 | Very high | 96.7 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 135.4 | 171.7 | -69.4 | 179.6 | -67.3 | 171.3 | 9.7 | 109.8 | W101 M127 S136 H141 H200 T201 C204 | W101-R124 HydrophobicContact CH2-CG 3.72Å; W101-R124 HydrophobicContact CZ2-CG 4.45Å; W101-R124 HydrophobicContact CZ3-CB 4.48Å; W101-R124 HydrophobicContact CZ3-CG 3.86Å; R124-M127 HydrophobicContact CB-CE 4.1Å; R124-M127 HydrophobicContact CG-CE 4.38Å; R124-S136 PolarHBondContact NH1-OG 3.01Å; R124-H141 HydrophobicContact CG-CB 3.94Å; R124-H200 PolarHBondContact NH2-O 3.4Å; R124-T201 PolarHBondContact NH1-O 3.42Å; R124-C204 HydrophobicContact CB-CB 3.82Å; R124-C204 VanDerWaalsContact CZ-SG 3.6Å |
| 125 | P | 97 | Very high | 96.8 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 16% | 0.156 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 160.9 | 169.9 | 29.6 | -33.9 | 0 | 0 | 0 | 111 | W101 R102 I104 M127 | W101-P125 HydrophobicContact CB-CG 3.96Å; W101-P125 HydrophobicContact CE3-CG 4.28Å; R102-P125 WeakPolarHBondContact O-CD 3.43Å; I104-P125 HydrophobicContact CD1-CB 4.06Å; P125-M127 HydrophobicContact CG-CG 4.35Å; P125-M127 WeakPolarHBondContact O-CG 3.25Å; P125-M127 PolarHBondContact O-N 2.88Å |
| 126 | P | 97.2 | Very high | 97 | Very high | 63 Ų | 63 | 53.3 Ų | 53.3 | 41% | 0.409 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -60 | 123.1 | 171.1 | 25.6 | -33.8 | 0 | 0 | 0 | 110.3 | P110 W112 C204 | P110-P126 HydrophobicContact CG-CG 4.48Å; W112-P126 HydrophobicContact CH2-CB 4.4Å; W112-P126 HydrophobicContact CZ2-CB 4.08Å; P126-C204 CarbonylContact C-O 3.57Å; P126-C204 WeakPolarHBondContact CA-O 3.37Å |
| 127 | M | 95.3 | Very high | 97.1 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | trans | -132 | 91.2 | -174.2 | -75.7 | -174.7 | -68.9 | 0 | 0 | 109.9 | W101 R124 P125 S129 A132 C204 H205 | W101-M127 HydrophobicContact CB-SD 4.05Å; W101-M127 HydrophobicContact CD2-CE 4.13Å; W101-M127 HydrophobicContact CD2-SD 3.9Å; W101-M127 HydrophobicContact CG-CE 4.38Å; W101-M127 HydrophobicContact CG-SD 3.52Å; W101-M127 VanDerWaalsContact CG-SD 3.52Å; W101-M127 HydrophobicContact CZ2-CE 4.31Å; R124-M127 HydrophobicContact CB-CE 4.1Å; R124-M127 HydrophobicContact CG-CE 4.38Å; P125-M127 HydrophobicContact CG-CG 4.35Å; P125-M127 WeakPolarHBondContact O-CG 3.25Å; P125-M127 PolarHBondContact O-N 2.88Å; M127-S129 PolarHBondContact O-N 2.68Å; M127-A132 HydrophobicContact CB-CB 4.34Å; M127-A132 HydrophobicContact SD-CB 4.01Å; M127-C204 VanDerWaalsContact CE-SG 3.55Å; M127-C204 PolarHBondContact N-O 3.33Å; M127-H205 CarbonylContact C-O 3.54Å; M127-H205 WeakPolarHBondContact O-CA 3.48Å | ||
| 128 | P | 95.5 | Very high | 97.2 | Very high | 104 Ų | 104 | 55.8 Ų | 55.8 | 68% | 0.675 | 28% | 0.276 | S | S | * | . | trans | -75.1 | 56.8 | -178.1 | 32.3 | -36.9 | 0 | 0 | 0 | 112.2 | H205 | P128-H205 WeakPolarHBondContact CA-O 3.35Š| ||
| 129 | S | 95.8 | Very high | 97.1 | Very high | 58 Ų | 58 | 55.4 Ų | 55.4 | 41% | 0.406 | 27% | 0.274 | S | S | . | . | trans | -152.8 | 110.3 | 174.7 | -175 | 0 | 0 | 0 | 0 | 109.8 | M127 R131 A132 C133 H205 | M127-S129 PolarHBondContact O-N 2.68Å; S129-R131 PolarHBondContact O-N 2.76Å; S129-R131 VanDerWaalsContact O-N 3.1Å; S129-A132 WeakPolarHBondContact O-CA 3.49Å; S129-A132 WeakPolarHBondContact O-CB 3.22Å; S129-A132 PolarHBondContact O-N 2.94Å; S129-C133 PolarHBondContact O-N 3.34Å; S129-C133 VanDerWaalsContact O-N 3.13Å; S129-H205 PolarHBondContact N-CD2 2.82Å; S129-H205 PolarHBondContact N-NE2 3.48Å | ||
| 130 | F | 97.3 | Very high | 97.1 | Very high | 92 Ų | 92 | 60.3 Ų | 60.3 | 40% | 0.404 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -51 | -36.4 | 174 | -70.4 | -76.5 | 0 | 0 | 0 | 112.5 | A132 C133 F134 V202 H205 V209 | F130-A132 VanDerWaalsContact C-N 3.27Å; F130-A132 PolarHBondContact O-N 2.89Å; F130-C133 WeakPolarHBondContact O-CB 3.38Å; F130-C133 PolarHBondContact O-N 3Å; F130-C133 VanDerWaalsContact O-N 3.15Å; F130-F134 HydrophobicContact CB-CD2 4.36Å; F130-F134 HydrophobicContact CD1-CE2 4.46Å; F130-F134 VanDerWaalsContact O-CD2 3.32Å; F130-F134 WeakPolarHBondContact O-CD2 3.25Å; F130-F134 PolarHBondContact O-N 3.16Å; F130-V202 HydrophobicContact CD1-CB 4.38Å; F130-V202 HydrophobicContact CD1-CG1 3.78Å; F130-V202 HydrophobicContact CE1-CB 4.18Å; F130-V202 HydrophobicContact CE1-CG1 3.89Å; F130-H205 AromaticContact CD1-CD2 3.98Å; F130-H205 AromaticContact CD2-CD2 3.99Å; F130-H205 AromaticContact CD2-NE2 3.56Å; F130-H205 AromaticContact CE2-NE2 3.62Å; F130-H205 AromaticContact CG-CD2 3.93Å; F130-H205 AromaticContact CG-NE2 3.98Å; F130-H205 PolarHBondContact N-CD2 2.79Å; F130-H205 PolarHBondContact N-NE2 3.22Å; F130-V209 HydrophobicContact CE1-CG1 3.9Å; F130-V209 HydrophobicContact CZ-CG1 3.99Å; F130-V209 HydrophobicContact CZ-CG2 3.99Å |
| 131 | R | 96.4 | Very high | 97.1 | Very high | 212 Ų | 212 | 56.4 Ų | 56.4 | 80% | 0.8 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62 | -32.2 | 176.5 | -170.4 | 176.4 | -178.1 | -176 | 1.9 | 112.9 | S129 K135 | S129-R131 PolarHBondContact O-N 2.76Å; S129-R131 VanDerWaalsContact O-N 3.1Å; R131-K135 VanDerWaalsContact O-CB 3.3Å; R131-K135 WeakPolarHBondContact O-CB 3.08Å; R131-K135 PolarHBondContact O-N 3.04Å |
| 132 | A | 95.4 | Very high | 97.2 | Very high | 27 Ų | 27 | 52 Ų | 52 | 22% | 0.223 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -74.4 | -43.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | M127 S129 F130 K135 S136 | M127-A132 HydrophobicContact CB-CB 4.34Å; M127-A132 HydrophobicContact SD-CB 4.01Å; S129-A132 WeakPolarHBondContact O-CA 3.49Å; S129-A132 WeakPolarHBondContact O-CB 3.22Å; S129-A132 PolarHBondContact O-N 2.94Å; F130-A132 VanDerWaalsContact C-N 3.27Å; F130-A132 PolarHBondContact O-N 2.89Å; A132-K135 PolarHBondContact O-N 3.46Å; A132-S136 PolarHBondContact O-N 2.99Å |
| 133 | C | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.5 | -52.4 | 175.6 | -61 | 0 | 0 | 0 | 0 | 112.1 | S129 F130 K135 S136 T201 | S129-C133 PolarHBondContact O-N 3.34Å; S129-C133 VanDerWaalsContact O-N 3.13Å; F130-C133 WeakPolarHBondContact O-CB 3.38Å; F130-C133 PolarHBondContact O-N 3Å; F130-C133 VanDerWaalsContact O-N 3.15Å; C133-K135 VanDerWaalsContact C-N 3.34Å; C133-K135 PolarHBondContact O-N 3.45Å; C133-S136 WeakPolarHBondContact O-CB 3.34Å; C133-S136 PolarHBondContact O-N 3.34Å; C133-S136 PolarHBondContact O-OG 3.1Å; C133-T201 WeakPolarHBondContact CB-O 3.22Å |
| 134 | F | 98.1 | Very high | 97.3 | Very high | 83 Ų | 83 | 52.6 Ų | 52.6 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.7 | -33 | 177.1 | -79.4 | -81.6 | 0 | 0 | 0 | 112.9 | F130 S136 I137 W197 L198 T201 V202 | F130-F134 HydrophobicContact CB-CD2 4.36Å; F130-F134 HydrophobicContact CD1-CE2 4.46Å; F130-F134 VanDerWaalsContact O-CD2 3.32Å; F130-F134 WeakPolarHBondContact O-CD2 3.25Å; F130-F134 PolarHBondContact O-N 3.16Å; F134-S136 VanDerWaalsContact C-N 3.26Å; F134-S136 PolarHBondContact O-N 3.48Å; F134-I137 HydrophobicContact CD1-CD1 3.93Å; F134-I137 WeakPolarHBondContact O-CB 3.45Å; F134-I137 VanDerWaalsContact O-CG1 3.31Å; F134-I137 WeakPolarHBondContact O-CG1 3.49Å; F134-I137 PolarHBondContact O-N 3.49Å; F134-W197 HydrophobicContact CE1-CH2 4.06Å; F134-W197 AromaticContact CE1-CZ3 3.84Å; F134-W197 HydrophobicContact CE1-CZ3 3.84Å; F134-L198 HydrophobicContact CE1-CD2 4.15Å; F134-L198 HydrophobicContact CZ-CD2 3.9Å; F134-T201 HydrophobicContact CD1-CG2 3.81Å; F134-T201 HydrophobicContact CD2-CG2 4.43Å; F134-T201 HydrophobicContact CE1-CG2 4.01Å; F134-T201 HydrophobicContact CG-CG2 4.03Å; F134-T201 HydrophobicContact CZ-CG2 4.39Å; F134-V202 HydrophobicContact CE2-CG1 4.2Å |
| 135 | K | 96.8 | Very high | 97.3 | Very high | 74 Ų | 74 | 52.4 Ų | 52.4 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.7 | -27.8 | 171.2 | -168.5 | 179.3 | 179.3 | -169.5 | 0 | 112.2 | W97 R131 A132 C133 I137 F138 | W97-K135 HydrophobicContact CH2-CD 4.49Å; W97-K135 VanDerWaalsContact CH2-CE 3.45Å; W97-K135 HydrophobicContact CH2-CG 4.11Å; W97-K135 HydrophobicContact CZ2-CG 4.4Å; W97-K135 HydrophobicContact CZ3-CD 4.42Å; R131-K135 VanDerWaalsContact O-CB 3.3Å; R131-K135 WeakPolarHBondContact O-CB 3.08Å; R131-K135 PolarHBondContact O-N 3.04Å; A132-K135 PolarHBondContact O-N 3.46Å; C133-K135 VanDerWaalsContact C-N 3.34Å; C133-K135 PolarHBondContact O-N 3.45Å; K135-I137 PolarHBondContact O-N 3.25Å; K135-F138 PolarHBondContact O-N 2.9Å |
| 136 | S | 97.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.3 | -18.6 | 178.9 | 75.1 | 0 | 0 | 0 | 0 | 114.3 | R124 A132 C133 F134 F138 R139 H141 | R124-S136 PolarHBondContact NH1-OG 3.01Å; A132-S136 PolarHBondContact O-N 2.99Å; C133-S136 WeakPolarHBondContact O-CB 3.34Å; C133-S136 PolarHBondContact O-N 3.34Å; C133-S136 PolarHBondContact O-OG 3.1Å; F134-S136 VanDerWaalsContact C-N 3.26Å; F134-S136 PolarHBondContact O-N 3.48Å; S136-F138 PolarHBondContact O-N 3.46Å; S136-R139 WeakPolarHBondContact O-CA 3.48Å; S136-R139 WeakPolarHBondContact O-CB 3.39Å; S136-R139 PolarHBondContact O-N 2.57Å; S136-H141 PolarHBondContact O-NE2 2.78Å |
| 137 | I | 98.3 | Very high | 97.4 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -34.2 | 173 | -58.2 | 177.6 | 0 | 0 | 0 | 111.6 | F134 K135 R139 I147 W148 L151 W197 T201 | F134-I137 HydrophobicContact CD1-CD1 3.93Å; F134-I137 WeakPolarHBondContact O-CB 3.45Å; F134-I137 VanDerWaalsContact O-CG1 3.31Å; F134-I137 WeakPolarHBondContact O-CG1 3.49Å; F134-I137 PolarHBondContact O-N 3.49Å; K135-I137 PolarHBondContact O-N 3.25Å; I137-R139 VanDerWaalsContact C-N 3.32Å; I137-R139 PolarHBondContact O-N 2.85Å; I137-I147 HydrophobicContact CG1-CD1 4.47Å; I137-I147 HydrophobicContact CG1-CG2 4.19Å; I137-I147 HydrophobicContact CG2-CG2 4.13Å; I137-W148 HydrophobicContact CG2-CZ2 3.92Å; I137-W148 PolarHBondContact O-NE1 3.21Å; I137-L151 HydrophobicContact CG2-CD2 4.46Å; I137-W197 HydrophobicContact CD1-CZ3 4.28Å; I137-T201 HydrophobicContact CD1-CG2 3.87Å; I137-T201 HydrophobicContact CG1-CG2 3.92Å |
| 138 | F | 97.4 | Very high | 97.6 | Very high | 138 Ų | 138 | 51.9 Ų | 51.9 | 61% | 0.605 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 24.3 | 178 | -55.9 | -78.5 | 0 | 0 | 0 | 113.1 | W97 K135 S136 W148 | W97-F138 HydrophobicContact CH2-CB 3.93Å; W97-F138 HydrophobicContact CZ2-CB 3.77Å; W97-F138 WeakPolarHBondContact CZ2-O 3.4Å; K135-F138 PolarHBondContact O-N 2.9Å; S136-F138 PolarHBondContact O-N 3.46Å; F138-W148 HydrophobicContact CD1-CZ2 4.12Å; F138-W148 HydrophobicContact CE1-CH2 4.19Å; F138-W148 AromaticContact CE1-CZ2 3.94Å; F138-W148 HydrophobicContact CE1-CZ2 3.94Å |
| 139 | R | 96.5 | Very high | 97.8 | Very high | 42 Ų | 42 | 48.2 Ų | 48.2 | 16% | 0.158 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -124.8 | 157.3 | 173.7 | -77.8 | -161.3 | 62.6 | 178.3 | -2.6 | 111.6 | W97 W101 S136 I137 T144 | W97-R139 HydrophobicContact CZ2-CG 4.11Å; W101-R139 HydrophobicContact CH2-CB 4.27Å; W101-R139 HydrophobicContact CZ2-CB 4.18Å; W101-R139 HydrophobicContact CZ2-CG 4.33Å; W101-R139 PolarHBondContact O-NH1 3.26Å; S136-R139 WeakPolarHBondContact O-CA 3.48Å; S136-R139 WeakPolarHBondContact O-CB 3.39Å; S136-R139 PolarHBondContact O-N 2.57Å; I137-R139 VanDerWaalsContact C-N 3.32Å; I137-R139 PolarHBondContact O-N 2.85Å; R139-T144 WeakPolarHBondContact O-CG2 3.24Å; R139-T144 PolarHBondContact O-OG1 2.74Å |
| 140 | I | 98.3 | Very high | 97.9 | Very high | 116 Ų | 116 | 45.6 Ų | 45.6 | 60% | 0.595 | 20% | 0.204 | S | C | * | . | trans | -89.4 | 121 | 173.8 | -54.9 | 178.7 | 0 | 0 | 0 | 108.7 | T144 I341 | I140-T144 WeakPolarHBondContact CA-OG1 3.48Å; I140-I341 HydrophobicContact CG2-CD1 4.46Å; I140-I341 HydrophobicContact CG2-CG1 4.48Å; I140-I341 HydrophobicContact CG2-CG2 3.52Å | ||
| 141 | H | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -163.9 | 172.9 | 177.3 | 53.6 | 70.4 | 0 | 0 | 0 | 108.8 | W101 V103 G122 R124 S136 E143 T144 | W101-H141 HydrophobicContact CH2-CB 4.49Å; W101-H141 AromaticContact CH2-CD2 3.86Å; V103-H141 HydrophobicContact CG1-CB 4.17Å; G122-H141 CarbonylContact O-C 3.4Å; G122-H141 VanDerWaalsContact O-CA 3.24Å; G122-H141 WeakPolarHBondContact O-CA 3.24Å; G122-H141 VanDerWaalsContact O-CB 3.24Å; G122-H141 WeakPolarHBondContact O-CB 3.42Å; R124-H141 HydrophobicContact CG-CB 3.94Å; S136-H141 PolarHBondContact O-NE2 2.78Å; H141-E143 VanDerWaalsContact C-N 3.26Å; H141-E143 PolarHBondContact ND1-N 2.75Å; H141-E143 VanDerWaalsContact ND1-N 3.19Å; H141-E143 PolarHBondContact O-N 3.39Å; H141-E143 VanDerWaalsContact O-N 3.16Å; H141-T144 PolarHBondContact CE1-N 3.33Å; H141-T144 PolarHBondContact CE1-OG1 2.96Å; H141-T144 PolarHBondContact N-OG1 2.97Å; H141-T144 PolarHBondContact ND1-N 3.07Å; H141-T144 PolarHBondContact ND1-OG1 3.02Å; H141-T144 WeakPolarHBondContact O-CB 3.28Å; H141-T144 PolarHBondContact O-N 2.85Å; H141-T144 PolarHBondContact O-OG1 3.41Å |
| 142 | T | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -42.9 | -178.3 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | H121 G122 H123 T144 D340 H344 | H121-T142 VanDerWaalsContact O-CG2 3.3Å; H121-T142 WeakPolarHBondContact O-CG2 3.34Å; G122-T142 PolarHBondContact O-N 3.23Å; H123-T142 WeakPolarHBondContact ND1-CG2 3.03Å; H123-T142 PolarHBondContact ND1-OG1 3.15Å; T142-T144 VanDerWaalsContact C-N 3.34Å; T142-T144 PolarHBondContact O-N 3.29Å; T142-D340 VanDerWaalsContact CA-O 3.28Å; T142-D340 WeakPolarHBondContact CA-O 3.37Å; T142-D340 WeakPolarHBondContact CB-O 3.46Å; T142-D340 WeakPolarHBondContact CG2-O 3.22Å; T142-H344 PolarHBondContact O-CE1 3.05Å |
| 143 | E | 98.7 | Very high | 98.3 | Very high | 22 Ų | 22 | 36.7 Ų | 36.7 | 10% | 0.103 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -4.1 | -179.4 | -60.3 | -61.3 | 158.5 | 0 | 0 | 116 | H141 G145 N146 I147 H200 Y203 | H141-E143 VanDerWaalsContact C-N 3.26Å; H141-E143 PolarHBondContact ND1-N 2.75Å; H141-E143 VanDerWaalsContact ND1-N 3.19Å; H141-E143 PolarHBondContact O-N 3.39Å; H141-E143 VanDerWaalsContact O-N 3.16Å; E143-G145 PolarHBondContact O-N 3.31Å; E143-N146 PolarHBondContact O-N 2.64Å; E143-N146 PolarHBondContact OE2-ND2 3.3Å; E143-I147 HydrophobicContact CB-CD1 4.44Å; E143-I147 WeakPolarHBondContact O-CG1 3.44Å; E143-I147 PolarHBondContact O-N 3.12Å; E143-H200 IonicContact OE2-CE1 3.33Å; E143-H200 IonicContact OE2-CG 2.73Å; E143-H200 IonicContact OE2-ND1 3.65Å; E143-H200 PolarHBondContact OE2-ND1 2.84Å; E143-Y203 HydrophobicContact CG-CD1 4.25Å |
| 144 | T | 98.6 | Very high | 98.3 | Very high | 10 Ų | 10 | 37.2 Ų | 37.2 | 6% | 0.061 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | -173.6 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | R139 I140 H141 T142 N146 I147 W148 | R139-T144 WeakPolarHBondContact O-CG2 3.24Å; R139-T144 PolarHBondContact O-OG1 2.74Å; I140-T144 WeakPolarHBondContact CA-OG1 3.48Å; H141-T144 PolarHBondContact CE1-N 3.33Å; H141-T144 PolarHBondContact CE1-OG1 2.96Å; H141-T144 PolarHBondContact N-OG1 2.97Å; H141-T144 PolarHBondContact ND1-N 3.07Å; H141-T144 PolarHBondContact ND1-OG1 3.02Å; H141-T144 WeakPolarHBondContact O-CB 3.28Å; H141-T144 PolarHBondContact O-N 2.85Å; H141-T144 PolarHBondContact O-OG1 3.41Å; T142-T144 VanDerWaalsContact C-N 3.34Å; T142-T144 PolarHBondContact O-N 3.29Å; T144-N146 VanDerWaalsContact C-N 3.34Å; T144-N146 PolarHBondContact O-N 3.42Å; T144-I147 PolarHBondContact O-N 3.47Å; T144-W148 PolarHBondContact O-N 3.05Å; T144-W148 VanDerWaalsContact O-N 3.12Å |
| 145 | G | 98.4 | Very high | 98.3 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.3 | -37.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E143 T149 | E143-G145 PolarHBondContact O-N 3.31Å; G145-T149 WeakPolarHBondContact O-CB 3.31Å; G145-T149 VanDerWaalsContact O-CG2 3.28Å; G145-T149 WeakPolarHBondContact O-CG2 3.38Å; G145-T149 PolarHBondContact O-N 2.73Å; G145-T149 PolarHBondContact O-OG1 3.46Å |
| 146 | N | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.2 | -41.8 | -179.2 | -60.9 | -12.9 | 0 | 0 | 0 | 111.3 | E143 T144 T149 H200 H344 Q347 H350 | E143-N146 PolarHBondContact O-N 2.64Å; E143-N146 PolarHBondContact OE2-ND2 3.3Å; T144-N146 VanDerWaalsContact C-N 3.34Å; T144-N146 PolarHBondContact O-N 3.42Å; N146-T149 PolarHBondContact O-OG1 3.36Å; N146-T149 VanDerWaalsContact O-OG1 3.11Å; N146-H200 HydrophobicContact CB-CB 4.18Å; N146-H344 PolarHBondContact OD1-NE2 3.32Å; N146-Q347 WeakPolarHBondContact OD1-CA 3.37Å; N146-Q347 PolarHBondContact OD1-N 3.11Å; N146-H350 PolarHBondContact O-CE1 3.15Å; N146-H350 PolarHBondContact O-ND1 2.8Å |
| 147 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.4 | -55.9 | 175.9 | -62.7 | 164.7 | 0 | 0 | 0 | 110.8 | I137 E143 T144 T149 H150 L151 H200 | I137-I147 HydrophobicContact CG1-CD1 4.47Å; I137-I147 HydrophobicContact CG1-CG2 4.19Å; I137-I147 HydrophobicContact CG2-CG2 4.13Å; E143-I147 HydrophobicContact CB-CD1 4.44Å; E143-I147 WeakPolarHBondContact O-CG1 3.44Å; E143-I147 PolarHBondContact O-N 3.12Å; T144-I147 PolarHBondContact O-N 3.47Å; I147-T149 PolarHBondContact O-N 3.43Å; I147-H150 PolarHBondContact O-N 3.21Å; I147-L151 WeakPolarHBondContact O-CB 3.35Å; I147-L151 PolarHBondContact O-N 2.87Å; I147-H200 HydrophobicContact CG1-CB 3.73Å |
| 148 | W | 98.9 | Very high | 98.5 | Very high | 90 Ų | 90 | 41.1 Ų | 41.1 | 34% | 0.341 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.2 | -34.1 | -168.9 | -83.8 | 94.8 | 0 | 0 | 0 | 113.6 | I137 F138 T144 L151 L152 | I137-W148 HydrophobicContact CG2-CZ2 3.92Å; I137-W148 PolarHBondContact O-NE1 3.21Å; F138-W148 HydrophobicContact CD1-CZ2 4.12Å; F138-W148 HydrophobicContact CE1-CH2 4.19Å; F138-W148 AromaticContact CE1-CZ2 3.94Å; F138-W148 HydrophobicContact CE1-CZ2 3.94Å; T144-W148 PolarHBondContact O-N 3.05Å; T144-W148 VanDerWaalsContact O-N 3.12Å; W148-L151 HydrophobicContact CE3-CD2 4.48Å; W148-L152 HydrophobicContact CE3-CD1 4.14Å; W148-L152 HydrophobicContact CE3-CD2 4.27Å; W148-L152 HydrophobicContact CE3-CG 4.06Å; W148-L152 HydrophobicContact CZ3-CD2 4.33Å; W148-L152 WeakPolarHBondContact O-CB 3.43Å; W148-L152 VanDerWaalsContact O-CG 3.25Å; W148-L152 WeakPolarHBondContact O-CG 3.48Å; W148-L152 PolarHBondContact O-N 2.85Å |
| 149 | T | 98.8 | Very high | 98.6 | Very high | 27 Ų | 27 | 37.4 Ų | 37.4 | 17% | 0.166 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.7 | -51.1 | 176.1 | 44.3 | 0 | 0 | 0 | 0 | 112.2 | G145 N146 I147 G153 Q347 H350 V351 | G145-T149 WeakPolarHBondContact O-CB 3.31Å; G145-T149 VanDerWaalsContact O-CG2 3.28Å; G145-T149 WeakPolarHBondContact O-CG2 3.38Å; G145-T149 PolarHBondContact O-N 2.73Å; G145-T149 PolarHBondContact O-OG1 3.46Å; N146-T149 PolarHBondContact O-OG1 3.36Å; N146-T149 VanDerWaalsContact O-OG1 3.11Å; I147-T149 PolarHBondContact O-N 3.43Å; T149-G153 PolarHBondContact O-N 3.21Å; T149-Q347 HydrophobicContact CG2-CG 4.33Å; T149-H350 VanDerWaalsContact OG1-CB 3.31Å; T149-H350 WeakPolarHBondContact OG1-CB 3.32Å; T149-H350 PolarHBondContact OG1-ND1 3.38Å; T149-V351 HydrophobicContact CG2-CG2 3.83Å |
| 150 | H | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -79.3 | -26.2 | 179.6 | -77 | -179.7 | 0 | 0 | 0 | 113.7 | I147 C154 L193 S196 W197 H350 | I147-H150 PolarHBondContact O-N 3.21Å; H150-C154 WeakPolarHBondContact O-CB 3.47Å; H150-C154 PolarHBondContact O-N 3.41Å; H150-L193 HydrophobicContact CB-CD2 4.11Å; H150-L193 WeakPolarHBondContact CD2-CD2 3.24Å; H150-S196 WeakPolarHBondContact ND1-CB 3.29Å; H150-S196 PolarHBondContact ND1-OG 3.24Å; H150-W197 HydrophobicContact CB-CB 4.03Å; H150-H350 AromaticContact CD2-CG 3.82Å; H150-H350 AromaticContact CD2-ND1 3.78Å; H150-H350 AromaticContact CE1-CD2 3.39Å; H150-H350 PolarHBondContact CE1-CD2 3.19Å; H150-H350 AromaticContact CE1-CE1 3.6Å; H150-H350 AromaticContact CE1-CG 3.36Å; H150-H350 AromaticContact CE1-ND1 3.51Å; H150-H350 AromaticContact CE1-NE2 3.54Å; H150-H350 AromaticContact CG-CE1 3.88Å; H150-H350 AromaticContact CG-CG 3.96Å; H150-H350 AromaticContact CG-ND1 3.48Å; H150-H350 AromaticContact ND1-CD2 3.88Å; H150-H350 AromaticContact ND1-CE1 3.26Å; H150-H350 PolarHBondContact ND1-CE1 3.34Å; H150-H350 VanDerWaalsContact ND1-CE1 3.26Å; H150-H350 AromaticContact ND1-CG 3.67Å; H150-H350 AromaticContact ND1-ND1 3.29Å; H150-H350 PolarHBondContact ND1-ND1 2.85Å; H150-H350 AromaticContact ND1-NE2 3.63Å; H150-H350 WeakPolarHBondContact NE2-CA 3.19Å; H150-H350 WeakPolarHBondContact NE2-CB 3.1Å; H150-H350 AromaticContact NE2-CD2 3.87Å; H150-H350 AromaticContact NE2-CG 3.47Å; H150-H350 AromaticContact NE2-ND1 3.83Å; H150-H350 PolarHBondContact NE2-O 3.45Å |
| 151 | L | 98.8 | Very high | 98.7 | Very high | 35 Ų | 35 | 32 Ų | 32 | 18% | 0.183 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66 | -49.8 | 171.4 | 176.8 | 60.5 | 0 | 0 | 0 | 111.6 | I137 I147 W148 C154 V155 W197 | I137-L151 HydrophobicContact CG2-CD2 4.46Å; I147-L151 WeakPolarHBondContact O-CB 3.35Å; I147-L151 PolarHBondContact O-N 2.87Å; W148-L151 HydrophobicContact CE3-CD2 4.48Å; L151-C154 WeakPolarHBondContact O-CB 3.12Å; L151-C154 PolarHBondContact O-N 2.6Å; L151-V155 PolarHBondContact O-N 3.34Å; L151-V155 VanDerWaalsContact O-N 3.12Å; L151-W197 HydrophobicContact CB-CB 4.08Å; L151-W197 HydrophobicContact CB-CD2 4.32Å; L151-W197 HydrophobicContact CB-CG 4Å; L151-W197 HydrophobicContact CD1-CD2 3.8Å; L151-W197 HydrophobicContact CD1-CE3 4.17Å; L151-W197 HydrophobicContact CD1-CG 4.19Å; L151-W197 HydrophobicContact CD1-CH2 4.44Å; L151-W197 HydrophobicContact CD1-CZ2 4.07Å; L151-W197 HydrophobicContact CD1-CZ3 4.48Å |
| 152 | L | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 36 Ų | 36 | 55% | 0.55 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.9 | -40.8 | 176.9 | -67.3 | 171.8 | 0 | 0 | 0 | 111.3 | W148 C154 V155 F156 | W148-L152 HydrophobicContact CE3-CD1 4.14Å; W148-L152 HydrophobicContact CE3-CD2 4.27Å; W148-L152 HydrophobicContact CE3-CG 4.06Å; W148-L152 HydrophobicContact CZ3-CD2 4.33Å; W148-L152 WeakPolarHBondContact O-CB 3.43Å; W148-L152 VanDerWaalsContact O-CG 3.25Å; W148-L152 WeakPolarHBondContact O-CG 3.48Å; W148-L152 PolarHBondContact O-N 2.85Å; L152-C154 VanDerWaalsContact C-N 3.35Å; L152-C154 PolarHBondContact O-N 3.04Å; L152-V155 PolarHBondContact O-N 2.95Å; L152-F156 WeakPolarHBondContact O-CB 2.96Å; L152-F156 PolarHBondContact O-N 3.31Å |
| 153 | G | 98.7 | Very high | 98.6 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.5 | -44.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T149 V155 F156 F157 | T149-G153 PolarHBondContact O-N 3.21Å; G153-V155 PolarHBondContact O-N 3.41Å; G153-F156 PolarHBondContact O-N 2.75Å; G153-F157 WeakPolarHBondContact O-CD2 3.16Å; G153-F157 PolarHBondContact O-N 3.25Å |
| 154 | C | 98.8 | Very high | 98.6 | Very high | 12 Ų | 12 | 42.5 Ų | 42.5 | 8% | 0.081 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 178.5 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | H150 L151 L152 L158 L193 S194 | H150-C154 WeakPolarHBondContact O-CB 3.47Å; H150-C154 PolarHBondContact O-N 3.41Å; L151-C154 WeakPolarHBondContact O-CB 3.12Å; L151-C154 PolarHBondContact O-N 2.6Å; L152-C154 VanDerWaalsContact C-N 3.35Å; L152-C154 PolarHBondContact O-N 3.04Å; C154-L158 VanDerWaalsContact O-CB 3.25Å; C154-L158 WeakPolarHBondContact O-CB 3.43Å; C154-L158 PolarHBondContact O-N 2.83Å; C154-L193 HydrophobicContact CB-CB 3.87Å; C154-S194 PolarHBondContact SG-OG 3.26Å |
| 155 | V | 98.8 | Very high | 98.5 | Very high | 80 Ų | 80 | 45.5 Ų | 45.5 | 49% | 0.485 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65 | -42.5 | 176.4 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | L151 L152 G153 L158 C159 | L151-V155 PolarHBondContact O-N 3.34Å; L151-V155 VanDerWaalsContact O-N 3.12Å; L152-V155 PolarHBondContact O-N 2.95Å; G153-V155 PolarHBondContact O-N 3.41Å; V155-L158 PolarHBondContact O-N 3.05Å; V155-C159 WeakPolarHBondContact O-CB 3.3Å; V155-C159 PolarHBondContact O-N 3.35Å; V155-C159 PolarHBondContact O-SG 3.08Å; V155-C159 VanDerWaalsContact O-SG 3.4Å |
| 156 | F | 98.8 | Very high | 98.4 | Very high | 91 Ų | 91 | 53.4 Ų | 53.4 | 40% | 0.399 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.9 | -51.4 | 176.3 | 171.8 | -100.5 | 0 | 0 | 0 | 112.3 | L152 G153 L158 C159 L160 F358 | L152-F156 WeakPolarHBondContact O-CB 2.96Å; L152-F156 PolarHBondContact O-N 3.31Å; G153-F156 PolarHBondContact O-N 2.75Å; F156-L158 VanDerWaalsContact C-N 3.35Å; F156-L158 PolarHBondContact O-N 2.69Å; F156-C159 PolarHBondContact O-N 2.72Å; F156-L160 HydrophobicContact CE1-CD2 3.89Å; F156-L160 HydrophobicContact CZ-CD2 3.9Å; F156-L160 WeakPolarHBondContact O-CB 3.28Å; F156-L160 PolarHBondContact O-N 2.9Å; F156-F358 AromaticContact CE1-CD2 3.78Å; F156-F358 HydrophobicContact CE1-CD2 3.78Å; F156-F358 HydrophobicContact CE1-CE2 4.38Å; F156-F358 HydrophobicContact CE1-CG 4.48Å; F156-F358 AromaticContact CZ-CD2 3.7Å; F156-F358 HydrophobicContact CZ-CD2 3.7Å; F156-F358 AromaticContact CZ-CE2 3.84Å; F156-F358 HydrophobicContact CZ-CE2 3.84Å |
| 157 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.8 | -32.1 | 178.7 | -82.8 | -75.9 | 0 | 0 | 0 | 113.1 | G153 L160 G161 F185 F186 A189 I190 L193 V354 A357 F358 | G153-F157 WeakPolarHBondContact O-CD2 3.16Å; G153-F157 PolarHBondContact O-N 3.25Å; F157-L160 HydrophobicContact CD1-CD2 4.5Å; F157-L160 HydrophobicContact CE1-CD2 4.46Å; F157-G161 PolarHBondContact O-N 2.92Å; F157-F185 HydrophobicContact CD1-CE1 4.49Å; F157-F185 HydrophobicContact CD1-CZ 4.47Å; F157-F185 HydrophobicContact CE1-CE1 4.23Å; F157-F185 AromaticContact CE1-CZ 3.96Å; F157-F185 HydrophobicContact CE1-CZ 3.96Å; F157-F186 HydrophobicContact CD1-CD1 4.12Å; F157-F186 AromaticContact CD1-CE1 3.96Å; F157-F186 HydrophobicContact CD1-CE1 3.96Å; F157-F186 WeakPolarHBondContact O-CD1 3.36Å; F157-A189 HydrophobicContact CD1-CB 4.3Å; F157-A189 HydrophobicContact CG-CB 4.33Å; F157-I190 HydrophobicContact CB-CG1 4.18Å; F157-L193 HydrophobicContact CD2-CD1 3.57Å; F157-L193 HydrophobicContact CE2-CD1 4.23Å; F157-L193 HydrophobicContact CG-CD1 4.36Å; F157-V354 HydrophobicContact CE2-CG1 4.4Å; F157-A357 HydrophobicContact CE1-CB 4.16Å; F157-A357 HydrophobicContact CE2-CB 3.86Å; F157-A357 HydrophobicContact CZ-CB 3.46Å; F157-A357 VanDerWaalsContact CZ-CB 3.46Å; F157-F358 HydrophobicContact CZ-CB 4.15Å |
| 158 | L | 98.8 | Very high | 98.3 | Very high | 80 Ų | 80 | 60.6 Ų | 60.6 | 42% | 0.419 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.6 | -51.3 | 172.3 | 178.9 | 62.4 | 0 | 0 | 0 | 111.3 | C154 V155 F156 G161 I162 I190 | C154-L158 VanDerWaalsContact O-CB 3.25Å; C154-L158 WeakPolarHBondContact O-CB 3.43Å; C154-L158 PolarHBondContact O-N 2.83Å; V155-L158 PolarHBondContact O-N 3.05Å; F156-L158 VanDerWaalsContact C-N 3.35Å; F156-L158 PolarHBondContact O-N 2.69Å; L158-G161 PolarHBondContact O-N 3.46Å; L158-I162 HydrophobicContact CD1-CD1 3.96Å; L158-I162 HydrophobicContact CD1-CG1 4.5Å; L158-I162 HydrophobicContact CG-CD1 4.03Å; L158-I162 WeakPolarHBondContact O-CD1 3.49Å; L158-I162 VanDerWaalsContact O-CG1 3.25Å; L158-I162 WeakPolarHBondContact O-CG1 3.38Å; L158-I162 PolarHBondContact O-N 2.83Å; L158-I190 HydrophobicContact CB-CD1 4.31Å; L158-I190 HydrophobicContact CD1-CD1 4.1Å |
| 159 | C | 98.7 | Very high | 98.1 | Very high | 60 Ų | 60 | 61 Ų | 61 | 41% | 0.405 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 176.8 | -70.3 | 0 | 0 | 0 | 0 | 111.7 | V155 F156 G161 I162 F163 | V155-C159 WeakPolarHBondContact O-CB 3.3Å; V155-C159 PolarHBondContact O-N 3.35Å; V155-C159 PolarHBondContact O-SG 3.08Å; V155-C159 VanDerWaalsContact O-SG 3.4Å; F156-C159 PolarHBondContact O-N 2.72Å; C159-G161 VanDerWaalsContact C-N 3.35Å; C159-G161 PolarHBondContact O-N 3.38Å; C159-I162 PolarHBondContact O-N 3.36Å; C159-F163 VanDerWaalsContact O-CD2 3.23Å; C159-F163 WeakPolarHBondContact O-CD2 3.46Å; C159-F163 PolarHBondContact O-N 3.49Å |
| 160 | L | 98.5 | Very high | 97.9 | Very high | 40 Ų | 40 | 67.3 Ų | 67.3 | 21% | 0.209 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62 | -40.8 | 179.7 | -175.6 | 61.8 | 0 | 0 | 0 | 112 | F156 F157 F163 Y164 F186 F358 F361 | F156-L160 HydrophobicContact CE1-CD2 3.89Å; F156-L160 HydrophobicContact CZ-CD2 3.9Å; F156-L160 WeakPolarHBondContact O-CB 3.28Å; F156-L160 PolarHBondContact O-N 2.9Å; F157-L160 HydrophobicContact CD1-CD2 4.5Å; F157-L160 HydrophobicContact CE1-CD2 4.46Å; L160-F163 PolarHBondContact O-N 2.92Å; L160-Y164 WeakPolarHBondContact O-CB 3.45Å; L160-Y164 PolarHBondContact O-N 3.43Å; L160-F186 HydrophobicContact CB-CE1 4.14Å; L160-F186 HydrophobicContact CD2-CE1 4.19Å; L160-F186 HydrophobicContact CD2-CZ 4.42Å; L160-F186 HydrophobicContact CG-CE1 3.97Å; L160-F186 HydrophobicContact CG-CZ 3.99Å; L160-F358 HydrophobicContact CD2-CD2 4.44Å; L160-F361 HydrophobicContact CD1-CE1 4.06Å; L160-F361 HydrophobicContact CD1-CZ 4.36Å; L160-F361 HydrophobicContact CD2-CD1 3.8Å; L160-F361 HydrophobicContact CD2-CE1 3.81Å; L160-F361 HydrophobicContact CD2-CG 4.37Å; L160-F361 HydrophobicContact CD2-CZ 4.4Å; L160-F361 HydrophobicContact CG-CE1 4.13Å; L160-F361 HydrophobicContact CG-CZ 4.32Å |
| 161 | G | 98.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 69.2 Ų | 69.2 | 6% | 0.062 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F157 L158 C159 Y164 M165 | F157-G161 PolarHBondContact O-N 2.92Å; L158-G161 PolarHBondContact O-N 3.46Å; C159-G161 VanDerWaalsContact C-N 3.35Å; C159-G161 PolarHBondContact O-N 3.38Å; G161-Y164 WeakPolarHBondContact O-CB 3.37Å; G161-Y164 PolarHBondContact O-N 3.12Å; G161-M165 WeakPolarHBondContact O-CG 3.31Å; G161-M165 PolarHBondContact O-N 2.73Å |
| 162 | I | 98.3 | Very high | 97.6 | Very high | 84 Ų | 84 | 68 Ų | 68 | 43% | 0.431 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.2 | -48 | 174.3 | -70.2 | 165.4 | 0 | 0 | 0 | 110.6 | L158 C159 Y164 M165 F166 | L158-I162 HydrophobicContact CD1-CD1 3.96Å; L158-I162 HydrophobicContact CD1-CG1 4.5Å; L158-I162 HydrophobicContact CG-CD1 4.03Å; L158-I162 WeakPolarHBondContact O-CD1 3.49Å; L158-I162 VanDerWaalsContact O-CG1 3.25Å; L158-I162 WeakPolarHBondContact O-CG1 3.38Å; L158-I162 PolarHBondContact O-N 2.83Å; C159-I162 PolarHBondContact O-N 3.36Å; I162-Y164 VanDerWaalsContact C-N 3.3Å; I162-Y164 PolarHBondContact O-N 3.32Å; I162-M165 PolarHBondContact O-N 2.9Å; I162-F166 HydrophobicContact CG2-CD2 3.8Å; I162-F166 HydrophobicContact CG2-CE2 3.81Å; I162-F166 VanDerWaalsContact O-CD2 3.26Å; I162-F166 WeakPolarHBondContact O-CD2 3.34Å; I162-F166 PolarHBondContact O-N 3.1Å; I162-F166 VanDerWaalsContact O-N 3.12Å |
| 163 | F | 98 | Very high | 97.4 | Very high | 156 Ų | 156 | 65.5 Ų | 65.5 | 68% | 0.684 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.4 | -36.8 | 175.1 | -84.2 | -67.8 | 0 | 0 | 0 | 112.7 | C159 L160 F166 R167 | C159-F163 VanDerWaalsContact O-CD2 3.23Å; C159-F163 WeakPolarHBondContact O-CD2 3.46Å; C159-F163 PolarHBondContact O-N 3.49Å; L160-F163 PolarHBondContact O-N 2.92Å; F163-F166 PolarHBondContact O-N 3.49Å; F163-R167 PolarHBondContact O-N 2.65Å; F163-R167 VanDerWaalsContact O-N 3.16Å |
| 164 | Y | 97.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 66.7 Ų | 66.7 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 175.5 | -167.6 | -87.8 | 0 | 0 | 0 | 112.1 | L160 G161 I162 F166 R167 F172 K179 V182 F186 F361 | L160-Y164 WeakPolarHBondContact O-CB 3.45Å; L160-Y164 PolarHBondContact O-N 3.43Å; G161-Y164 WeakPolarHBondContact O-CB 3.37Å; G161-Y164 PolarHBondContact O-N 3.12Å; I162-Y164 VanDerWaalsContact C-N 3.3Å; I162-Y164 PolarHBondContact O-N 3.32Å; Y164-F166 VanDerWaalsContact C-N 3.26Å; Y164-F166 PolarHBondContact O-N 3.38Å; Y164-R167 WeakPolarHBondContact O-CB 3.34Å; Y164-R167 PolarHBondContact O-N 3.12Å; Y164-R167 VanDerWaalsContact O-N 3.15Å; Y164-F172 HydrophobicContact CE1-CE1 4.13Å; Y164-F172 HydrophobicContact CE1-CZ 4.43Å; Y164-F172 AromaticContact CZ-CE1 3.86Å; Y164-K179 HydrophobicContact CE1-CG 4.31Å; Y164-V182 HydrophobicContact CD1-CB 4.35Å; Y164-V182 HydrophobicContact CD1-CG1 3.98Å; Y164-V182 HydrophobicContact CD2-CG1 4.46Å; Y164-V182 HydrophobicContact CE1-CB 3.68Å; Y164-V182 HydrophobicContact CE1-CG1 3.65Å; Y164-V182 HydrophobicContact CE1-CG2 4.17Å; Y164-V182 HydrophobicContact CE2-CG1 4.17Å; Y164-V182 HydrophobicContact CG-CG1 4.37Å; Y164-F186 HydrophobicContact CD1-CE2 4.32Å; Y164-F186 HydrophobicContact CD2-CE2 4.42Å; Y164-F186 AromaticContact CG-CE2 3.92Å; Y164-F186 HydrophobicContact CG-CE2 3.92Å; Y164-F361 AromaticContact CD2-CE2 3.87Å; Y164-F361 HydrophobicContact CD2-CE2 3.87Å; Y164-F361 AromaticContact CD2-CZ 3.93Å; Y164-F361 HydrophobicContact CD2-CZ 3.93Å; Y164-F361 HydrophobicContact CE2-CE2 4.15Å; Y164-F361 HydrophobicContact CE2-CZ 4.38Å |
| 165 | M | 96.6 | Very high | 97.2 | Very high | 73 Ų | 73 | 67.7 Ų | 67.7 | 36% | 0.36 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.1 | -34.6 | 176.7 | -64.8 | -57.6 | 160.8 | 0 | 0 | 112.5 | G161 I162 K179 G183 | G161-M165 WeakPolarHBondContact O-CG 3.31Å; G161-M165 PolarHBondContact O-N 2.73Å; I162-M165 PolarHBondContact O-N 2.9Å; M165-K179 WeakPolarHBondContact CE-O 3.36Å; M165-K179 WeakPolarHBondContact O-CE 3.41Å; M165-K179 PolarHBondContact O-NZ 2.87Å; M165-K179 HydrophobicContact SD-CB 3.98Å; M165-K179 HydrophobicContact SD-CG 4.34Å; M165-G183 VanDerWaalsContact CE-CA 3.42Å |
| 166 | F | 97.3 | Very high | 97.1 | Very high | 169 Ų | 169 | 69.5 Ų | 69.5 | 74% | 0.741 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -1.5 | 176.5 | -73.5 | -62.8 | 0 | 0 | 0 | 115.2 | I162 F163 Y164 | I162-F166 HydrophobicContact CG2-CD2 3.8Å; I162-F166 HydrophobicContact CG2-CE2 3.81Å; I162-F166 VanDerWaalsContact O-CD2 3.26Å; I162-F166 WeakPolarHBondContact O-CD2 3.34Å; I162-F166 PolarHBondContact O-N 3.1Å; I162-F166 VanDerWaalsContact O-N 3.12Å; F163-F166 PolarHBondContact O-N 3.49Å; Y164-F166 VanDerWaalsContact C-N 3.26Å; Y164-F166 PolarHBondContact O-N 3.38Å |
| 167 | R | 96.9 | Very high | 97 | Very high | 78 Ų | 78 | 70.1 Ų | 70.1 | 29% | 0.294 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -55.4 | 139.5 | 170.4 | -79.3 | -173.9 | 176.4 | -155.9 | -0.3 | 110.4 | F163 Y164 N169 F172 K179 E369 | F163-R167 PolarHBondContact O-N 2.65Å; F163-R167 VanDerWaalsContact O-N 3.16Å; Y164-R167 WeakPolarHBondContact O-CB 3.34Å; Y164-R167 PolarHBondContact O-N 3.12Å; Y164-R167 VanDerWaalsContact O-N 3.15Å; R167-N169 PolarHBondContact O-N 3.08Å; R167-F172 HydrophobicContact CB-CE2 3.7Å; R167-F172 HydrophobicContact CB-CZ 3.66Å; R167-F172 HydrophobicContact CG-CZ 4.39Å; R167-K179 PolarHBondContact O-NZ 3.25Å; R167-E369 IonicContact NH1-OE1 2.63Å; R167-E369 PolarHBondContact NH1-OE1 3.18Å |
| 168 | P | 96.9 | Very high | 97 | Very high | 77 Ų | 77 | 70.1 Ų | 70.1 | 50% | 0.5 | 37% | 0.368 | S | S | . | . | trans | -55.9 | 135.2 | 179.4 | -26.7 | 35.5 | 0 | 0 | 0 | 113 | M170 S171 F172 | P168-M170 HydrophobicContact CB-CG 3.85Å; P168-M170 PolarHBondContact O-N 2.89Å; P168-M170 VanDerWaalsContact O-N 3.11Å; P168-S171 WeakPolarHBondContact O-CB 3.5Å; P168-S171 PolarHBondContact O-N 2.92Å; P168-S171 PolarHBondContact O-OG 3.25Å; P168-F172 WeakPolarHBondContact O-CD2 3.33Å; P168-F172 WeakPolarHBondContact O-CE2 3.46Å | ||
| 169 | N | 96.4 | Very high | 96.9 | Very high | 97 Ų | 97 | 67.5 Ų | 67.5 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -62.7 | -21.5 | -178.2 | -72.3 | -4.9 | 0 | 0 | 0 | 113.4 | R167 S171 F172 P175 K179 | R167-N169 PolarHBondContact O-N 3.08Å; N169-S171 PolarHBondContact O-N 3.41Å; N169-F172 PolarHBondContact O-N 3.12Å; N169-P175 HydrophobicContact CB-CB 3.88Å; N169-P175 HydrophobicContact CB-CG 4.05Å; N169-P175 VanDerWaalsContact O-CG 3.23Å; N169-P175 WeakPolarHBondContact O-CG 3.43Å; N169-K179 PolarHBondContact OD1-NZ 3.41Å |
| 170 | M | 93.9 | Very high | 96.9 | Very high | 160 Ų | 160 | 68.7 Ų | 68.7 | 79% | 0.788 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -68.8 | -5.6 | 174.2 | 62.2 | -179.8 | 63.9 | 0 | 0 | 114.7 | P168 F372 | P168-M170 HydrophobicContact CB-CG 3.85Å; P168-M170 PolarHBondContact O-N 2.89Å; P168-M170 VanDerWaalsContact O-N 3.11Å; M170-F372 VanDerWaalsContact O-CE2 3.22Å; M170-F372 WeakPolarHBondContact O-CE2 3.45Å; M170-F372 VanDerWaalsContact O-CZ 3.25Å; M170-F372 WeakPolarHBondContact O-CZ 3.29Å |
| 171 | S | 93.8 | Very high | 96.9 | Very high | 45 Ų | 45 | 67.4 Ų | 67.4 | 32% | 0.315 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -96 | 11.3 | 178.1 | -52 | 0 | 0 | 0 | 0 | 113.8 | P168 N169 Q368 | P168-S171 WeakPolarHBondContact O-CB 3.5Å; P168-S171 PolarHBondContact O-N 2.92Å; P168-S171 PolarHBondContact O-OG 3.25Å; N169-S171 PolarHBondContact O-N 3.41Å; S171-Q368 PolarHBondContact O-NE2 2.95Å |
| 172 | F | 96.5 | Very high | 96.9 | Very high | 10 Ų | 10 | 67.2 Ų | 67.2 | 4% | 0.044 | 35% | 0.35 | C | S | . | . | trans | -138 | 155.6 | -174.5 | -54.2 | -91.9 | 0 | 0 | 0 | 109.7 | Y164 R167 P168 N169 P175 E178 K179 Q368 | Y164-F172 HydrophobicContact CE1-CE1 4.13Å; Y164-F172 HydrophobicContact CE1-CZ 4.43Å; Y164-F172 AromaticContact CZ-CE1 3.86Å; R167-F172 HydrophobicContact CB-CE2 3.7Å; R167-F172 HydrophobicContact CB-CZ 3.66Å; R167-F172 HydrophobicContact CG-CZ 4.39Å; P168-F172 WeakPolarHBondContact O-CD2 3.33Å; P168-F172 WeakPolarHBondContact O-CE2 3.46Å; N169-F172 PolarHBondContact O-N 3.12Å; F172-P175 HydrophobicContact CB-CB 4.01Å; F172-P175 HydrophobicContact CB-CG 3.99Å; F172-P175 HydrophobicContact CD2-CB 4.41Å; F172-P175 HydrophobicContact CG-CB 4.46Å; F172-E178 HydrophobicContact CD1-CB 3.95Å; F172-E178 WeakPolarHBondContact CD1-OE2 3.18Å; F172-K179 VanDerWaalsContact CE2-CE 3.49Å; F172-K179 HydrophobicContact CZ-CG 4.46Å; F172-Q368 HydrophobicContact CD1-CG 4.12Å; F172-Q368 HydrophobicContact CE1-CG 4.31Å | ||
| 173 | V | 96.6 | Very high | 96.9 | Very high | 52 Ų | 52 | 64 Ų | 64 | 32% | 0.315 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -83.7 | -44.4 | 177 | -175.5 | 0 | 0 | 0 | 0 | 111 | E178 R371 F372 | V173-E178 WeakPolarHBondContact CA-OE1 3.25Å; V173-E178 WeakPolarHBondContact CB-OE1 3.43Å; V173-E178 PolarHBondContact N-OE1 2.68Å; V173-R371 HydrophobicContact CG2-CG 4.25Å; V173-R371 WeakPolarHBondContact CG2-O 3.34Å; V173-F372 HydrophobicContact CG2-CD2 4.43Å |
| 174 | A | 95.9 | Very high | 96.9 | Very high | 27 Ų | 27 | 60.2 Ų | 60.2 | 22% | 0.223 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -128.2 | 73.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | V176 Q177 E178 | A174-V176 VanDerWaalsContact C-N 3.27Å; A174-V176 PolarHBondContact O-N 3.41Å; A174-Q177 HydrophobicContact CB-CB 4.21Å; A174-Q177 PolarHBondContact O-N 2.99Å; A174-E178 PolarHBondContact N-OE1 2.87Å; A174-E178 PolarHBondContact O-N 3.31Å |
| 175 | P | 96.1 | Very high | 97 | Very high | 34 Ų | 34 | 60.1 Ų | 60.1 | 22% | 0.221 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60 | -30.9 | -159.4 | -22.5 | 30.4 | 0 | 0 | 0 | 115.1 | N169 F172 K179 | N169-P175 HydrophobicContact CB-CB 3.88Å; N169-P175 HydrophobicContact CB-CG 4.05Å; N169-P175 VanDerWaalsContact O-CG 3.23Å; N169-P175 WeakPolarHBondContact O-CG 3.43Å; F172-P175 HydrophobicContact CB-CB 4.01Å; F172-P175 HydrophobicContact CB-CG 3.99Å; F172-P175 HydrophobicContact CD2-CB 4.41Å; F172-P175 HydrophobicContact CG-CB 4.46Å; P175-K179 VanDerWaalsContact O-CB 3.29Å; P175-K179 WeakPolarHBondContact O-CB 3.33Å; P175-K179 WeakPolarHBondContact O-CD 3.31Å; P175-K179 WeakPolarHBondContact O-CG 3.49Å; P175-K179 PolarHBondContact O-N 3.19Å |
| 176 | V | 97.1 | Very high | 97.1 | Very high | 117 Ų | 117 | 56.9 Ų | 56.9 | 71% | 0.709 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -72.8 | -45.5 | 176.3 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | A174 V180 | A174-V176 VanDerWaalsContact C-N 3.27Å; A174-V176 PolarHBondContact O-N 3.41Å; V176-V180 VanDerWaalsContact O-CG2 3.31Å; V176-V180 WeakPolarHBondContact O-CG2 3.29Å; V176-V180 PolarHBondContact O-N 3.38Å |
| 177 | Q | 96.8 | Very high | 97.2 | Very high | 104 Ų | 104 | 53.3 Ų | 53.3 | 49% | 0.486 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -71 | -44.4 | -176.9 | -169.2 | 172.8 | 14.5 | 0 | 0 | 111.5 | A174 K179 V180 V181 Y234 | A174-Q177 HydrophobicContact CB-CB 4.21Å; A174-Q177 PolarHBondContact O-N 2.99Å; Q177-K179 VanDerWaalsContact C-N 3.32Å; Q177-K179 PolarHBondContact O-N 3.1Å; Q177-V180 PolarHBondContact O-N 2.7Å; Q177-V180 VanDerWaalsContact O-N 3.15Å; Q177-V181 PolarHBondContact O-N 2.84Å; Q177-Y234 HydrophobicContact CG-CE2 3.95Å; Q177-Y234 PolarHBondContact OE1-OH 3.26Å |
| 178 | E | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60 | -40.8 | 176.2 | -72 | 177.5 | -121.7 | 0 | 0 | 111.8 | F172 V173 A174 V181 V182 Y234 Y235 Q368 | F172-E178 HydrophobicContact CD1-CB 3.95Å; F172-E178 WeakPolarHBondContact CD1-OE2 3.18Å; V173-E178 WeakPolarHBondContact CA-OE1 3.25Å; V173-E178 WeakPolarHBondContact CB-OE1 3.43Å; V173-E178 PolarHBondContact N-OE1 2.68Å; A174-E178 PolarHBondContact N-OE1 2.87Å; A174-E178 PolarHBondContact O-N 3.31Å; E178-V181 WeakPolarHBondContact O-CG2 3.25Å; E178-V182 PolarHBondContact O-N 3.13Å; E178-Y234 HydrophobicContact CG-CE1 4.05Å; E178-Y235 HydrophobicContact CG-CE1 4.17Å; E178-Y235 WeakPolarHBondContact CG-OH 3.25Å; E178-Q368 VanDerWaalsContact OE2-CG 3.3Å; E178-Q368 WeakPolarHBondContact OE2-CG 3.02Å; E178-Q368 PolarHBondContact OE2-NE2 2.95Å |
| 179 | K | 98.1 | Very high | 97.3 | Very high | 26 Ų | 26 | 46.1 Ų | 46.1 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.7 | -35 | 174.2 | -73.8 | 177.7 | 179.7 | -177.5 | 0 | 113 | Y164 M165 R167 N169 F172 P175 Q177 G183 | Y164-K179 HydrophobicContact CE1-CG 4.31Å; M165-K179 WeakPolarHBondContact CE-O 3.36Å; M165-K179 WeakPolarHBondContact O-CE 3.41Å; M165-K179 PolarHBondContact O-NZ 2.87Å; M165-K179 HydrophobicContact SD-CB 3.98Å; M165-K179 HydrophobicContact SD-CG 4.34Å; R167-K179 PolarHBondContact O-NZ 3.25Å; N169-K179 PolarHBondContact OD1-NZ 3.41Å; F172-K179 VanDerWaalsContact CE2-CE 3.49Å; F172-K179 HydrophobicContact CZ-CG 4.46Å; P175-K179 VanDerWaalsContact O-CB 3.29Å; P175-K179 WeakPolarHBondContact O-CB 3.33Å; P175-K179 WeakPolarHBondContact O-CD 3.31Å; P175-K179 WeakPolarHBondContact O-CG 3.49Å; P175-K179 PolarHBondContact O-N 3.19Å; Q177-K179 VanDerWaalsContact C-N 3.32Å; Q177-K179 PolarHBondContact O-N 3.1Å; K179-G183 WeakPolarHBondContact O-CA 3.21Å; K179-G183 PolarHBondContact O-N 3.02Å |
| 180 | V | 98.4 | Very high | 97.5 | Very high | 84 Ų | 84 | 43.3 Ų | 43.3 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.2 | -47.9 | 174.5 | 167.4 | 0 | 0 | 0 | 0 | 111.7 | V176 Q177 V182 G183 L184 | V176-V180 VanDerWaalsContact O-CG2 3.31Å; V176-V180 WeakPolarHBondContact O-CG2 3.29Å; V176-V180 PolarHBondContact O-N 3.38Å; Q177-V180 PolarHBondContact O-N 2.7Å; Q177-V180 VanDerWaalsContact O-N 3.15Å; V180-V182 PolarHBondContact O-N 3.26Å; V180-G183 PolarHBondContact O-N 3.43Å; V180-L184 HydrophobicContact CG1-CD1 4.32Å; V180-L184 WeakPolarHBondContact O-CG 3.47Å; V180-L184 PolarHBondContact O-N 2.94Å |
| 181 | V | 98 | Very high | 97.7 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 9% | 0.085 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.7 | -40.6 | -176.9 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | Q177 E178 L184 V230 P231 Y234 | Q177-V181 PolarHBondContact O-N 2.84Å; E178-V181 WeakPolarHBondContact O-CG2 3.25Å; V181-L184 PolarHBondContact O-N 3.15Å; V181-V230 HydrophobicContact CB-CG1 4.03Å; V181-V230 HydrophobicContact CG1-CG1 4.08Å; V181-P231 HydrophobicContact CB-CB 4.39Å; V181-P231 HydrophobicContact CG2-CB 4.21Å; V181-P231 WeakPolarHBondContact O-CD 3.49Å; V181-Y234 HydrophobicContact CG1-CD1 4.49Å; V181-Y234 HydrophobicContact CG1-CD2 4.29Å; V181-Y234 HydrophobicContact CG1-CG 4.08Å; V181-Y234 HydrophobicContact CG2-CD1 3.75Å; V181-Y234 HydrophobicContact CG2-CE1 4.27Å; V181-Y234 HydrophobicContact CG2-CG 4.11Å |
| 182 | V | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -74.6 | -29.4 | 174.4 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | Y164 E178 V180 L184 F185 F186 P231 Y235 F361 | Y164-V182 HydrophobicContact CD1-CB 4.35Å; Y164-V182 HydrophobicContact CD1-CG1 3.98Å; Y164-V182 HydrophobicContact CD2-CG1 4.46Å; Y164-V182 HydrophobicContact CE1-CB 3.68Å; Y164-V182 HydrophobicContact CE1-CG1 3.65Å; Y164-V182 HydrophobicContact CE1-CG2 4.17Å; Y164-V182 HydrophobicContact CE2-CG1 4.17Å; Y164-V182 HydrophobicContact CG-CG1 4.37Å; E178-V182 PolarHBondContact O-N 3.13Å; V180-V182 PolarHBondContact O-N 3.26Å; V182-L184 VanDerWaalsContact C-N 3.32Å; V182-L184 PolarHBondContact O-N 2.74Å; V182-F185 WeakPolarHBondContact O-CB 3.49Å; V182-F185 PolarHBondContact O-N 3.46Å; V182-F186 HydrophobicContact CG1-CD2 3.83Å; V182-F186 HydrophobicContact CG1-CE2 3.58Å; V182-F186 VanDerWaalsContact O-CD2 3.3Å; V182-F186 WeakPolarHBondContact O-CD2 3.49Å; V182-F186 PolarHBondContact O-N 3.2Å; V182-P231 HydrophobicContact CG2-CB 3.75Å; V182-Y235 HydrophobicContact CG2-CE2 4.48Å; V182-F361 HydrophobicContact CG1-CE2 4.31Å |
| 183 | G | 98.4 | Very high | 98 | Very high | 16 Ų | 16 | 35.9 Ų | 35.9 | 17% | 0.165 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -35.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | M165 K179 V180 F186 L187 | M165-G183 VanDerWaalsContact CE-CA 3.42Å; K179-G183 WeakPolarHBondContact O-CA 3.21Å; K179-G183 PolarHBondContact O-N 3.02Å; V180-G183 PolarHBondContact O-N 3.43Å; G183-F186 PolarHBondContact O-N 2.91Å; G183-L187 WeakPolarHBondContact O-CB 3.28Å; G183-L187 PolarHBondContact O-N 3.07Å |
| 184 | L | 98.7 | Very high | 98.2 | Very high | 78 Ų | 78 | 34.7 Ų | 34.7 | 41% | 0.408 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -68.9 | -34.8 | 174.4 | -72 | 167.1 | 0 | 0 | 0 | 112.4 | V180 V181 V182 L187 G188 V230 | V180-L184 HydrophobicContact CG1-CD1 4.32Å; V180-L184 WeakPolarHBondContact O-CG 3.47Å; V180-L184 PolarHBondContact O-N 2.94Å; V181-L184 PolarHBondContact O-N 3.15Å; V182-L184 VanDerWaalsContact C-N 3.32Å; V182-L184 PolarHBondContact O-N 2.74Å; L184-L187 HydrophobicContact CD2-CD2 4.45Å; L184-G188 PolarHBondContact O-N 2.84Å; L184-V230 HydrophobicContact CB-CB 4.49Å; L184-V230 HydrophobicContact CD1-CG1 3.99Å |
| 185 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.6 | -50.2 | 167.8 | 160.1 | -102.1 | 0 | 0 | 0 | 111.6 | F157 V182 L187 G188 A189 L224 G227 P231 A357 H360 F361 | F157-F185 HydrophobicContact CD1-CE1 4.49Å; F157-F185 HydrophobicContact CD1-CZ 4.47Å; F157-F185 HydrophobicContact CE1-CE1 4.23Å; F157-F185 AromaticContact CE1-CZ 3.96Å; F157-F185 HydrophobicContact CE1-CZ 3.96Å; V182-F185 WeakPolarHBondContact O-CB 3.49Å; V182-F185 PolarHBondContact O-N 3.46Å; F185-L187 VanDerWaalsContact C-N 3.3Å; F185-L187 PolarHBondContact O-N 2.88Å; F185-G188 PolarHBondContact O-N 2.89Å; F185-A189 HydrophobicContact CE2-CB 4.42Å; F185-A189 HydrophobicContact CZ-CB 4.4Å; F185-A189 PolarHBondContact O-N 3.13Å; F185-L224 HydrophobicContact CE2-CD1 4.05Å; F185-G227 WeakPolarHBondContact CA-O 3.46Å; F185-P231 HydrophobicContact CB-CG 3.89Å; F185-A357 HydrophobicContact CZ-CB 4.46Å; F185-A357 WeakPolarHBondContact CZ-O 3.46Å; F185-H360 AromaticContact CD2-CD2 3.66Å; F185-H360 AromaticContact CE2-CD2 3.55Å; F185-F361 HydrophobicContact CD1-CD2 4.41Å; F185-F361 HydrophobicContact CE1-CB 3.79Å; F185-F361 AromaticContact CE1-CD2 3.97Å; F185-F361 HydrophobicContact CE1-CD2 3.97Å; F185-F361 HydrophobicContact CE1-CG 4.27Å; F185-F361 HydrophobicContact CZ-CB 4.03Å |
| 186 | F | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.022 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60 | -39.5 | 178.1 | -80.5 | -65.4 | 0 | 0 | 0 | 112.2 | F157 L160 Y164 V182 G183 A189 I190 F361 | F157-F186 HydrophobicContact CD1-CD1 4.12Å; F157-F186 AromaticContact CD1-CE1 3.96Å; F157-F186 HydrophobicContact CD1-CE1 3.96Å; F157-F186 WeakPolarHBondContact O-CD1 3.36Å; L160-F186 HydrophobicContact CB-CE1 4.14Å; L160-F186 HydrophobicContact CD2-CE1 4.19Å; L160-F186 HydrophobicContact CD2-CZ 4.42Å; L160-F186 HydrophobicContact CG-CE1 3.97Å; L160-F186 HydrophobicContact CG-CZ 3.99Å; Y164-F186 HydrophobicContact CD1-CE2 4.32Å; Y164-F186 HydrophobicContact CD2-CE2 4.42Å; Y164-F186 AromaticContact CG-CE2 3.92Å; Y164-F186 HydrophobicContact CG-CE2 3.92Å; V182-F186 HydrophobicContact CG1-CD2 3.83Å; V182-F186 HydrophobicContact CG1-CE2 3.58Å; V182-F186 VanDerWaalsContact O-CD2 3.3Å; V182-F186 WeakPolarHBondContact O-CD2 3.49Å; V182-F186 PolarHBondContact O-N 3.2Å; G183-F186 PolarHBondContact O-N 2.91Å; F186-A189 PolarHBondContact O-N 3.46Å; F186-I190 HydrophobicContact CB-CD1 4.39Å; F186-I190 WeakPolarHBondContact O-CB 3.38Å; F186-I190 WeakPolarHBondContact O-CD1 3.25Å; F186-I190 WeakPolarHBondContact O-CG1 3.38Å; F186-I190 PolarHBondContact O-N 3.04Å; F186-F361 HydrophobicContact CE1-CD2 4.38Å; F186-F361 HydrophobicContact CE1-CE2 4.45Å; F186-F361 HydrophobicContact CE2-CD2 4.16Å; F186-F361 AromaticContact CE2-CE2 3.77Å; F186-F361 HydrophobicContact CE2-CE2 3.77Å; F186-F361 AromaticContact CZ-CD2 3.67Å; F186-F361 HydrophobicContact CZ-CD2 3.67Å; F186-F361 AromaticContact CZ-CE2 3.39Å; F186-F361 HydrophobicContact CZ-CE2 3.39Å; F186-F361 HydrophobicContact CZ-CZ 4.03Å |
| 187 | L | 98.8 | Very high | 98.5 | Very high | 95 Ų | 95 | 30.6 Ų | 30.6 | 50% | 0.497 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.2 | -48.1 | 174.7 | -179.8 | 62.5 | 0 | 0 | 0 | 111.5 | G183 L184 F185 L191 | G183-L187 WeakPolarHBondContact O-CB 3.28Å; G183-L187 PolarHBondContact O-N 3.07Å; L184-L187 HydrophobicContact CD2-CD2 4.45Å; F185-L187 VanDerWaalsContact C-N 3.3Å; F185-L187 PolarHBondContact O-N 2.88Å; L187-L191 HydrophobicContact CD1-CD1 3.83Å; L187-L191 HydrophobicContact CD1-CG 4.1Å; L187-L191 HydrophobicContact CG-CD1 3.97Å; L187-L191 WeakPolarHBondContact O-CB 3.38Å; L187-L191 VanDerWaalsContact O-CG 3.25Å; L187-L191 WeakPolarHBondContact O-CG 3.48Å; L187-L191 PolarHBondContact O-N 3.39Å |
| 188 | G | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 4% | 0.041 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L184 F185 C192 | L184-G188 PolarHBondContact O-N 2.84Å; F185-G188 PolarHBondContact O-N 2.89Å; G188-C192 WeakPolarHBondContact O-CB 3.32Å; G188-C192 PolarHBondContact O-N 3.3Å |
| 189 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.8 | -47.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F157 F185 F186 C192 L193 L224 | F157-A189 HydrophobicContact CD1-CB 4.3Å; F157-A189 HydrophobicContact CG-CB 4.33Å; F185-A189 HydrophobicContact CE2-CB 4.42Å; F185-A189 HydrophobicContact CZ-CB 4.4Å; F185-A189 PolarHBondContact O-N 3.13Å; F186-A189 PolarHBondContact O-N 3.46Å; A189-C192 PolarHBondContact O-N 3.37Å; A189-L193 WeakPolarHBondContact O-CB 3.33Å; A189-L193 VanDerWaalsContact O-CG 3.26Å; A189-L193 WeakPolarHBondContact O-CG 3.36Å; A189-L193 PolarHBondContact O-N 3.28Å; A189-L224 HydrophobicContact CB-CD1 3.97Å |
| 190 | I | 98.9 | Very high | 98.7 | Very high | 37 Ų | 37 | 27.4 Ų | 27.4 | 19% | 0.19 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.1 | -42.6 | -179.7 | -67 | 162.4 | 0 | 0 | 0 | 110.4 | F157 L158 F186 S194 | F157-I190 HydrophobicContact CB-CG1 4.18Å; L158-I190 HydrophobicContact CB-CD1 4.31Å; L158-I190 HydrophobicContact CD1-CD1 4.1Å; F186-I190 HydrophobicContact CB-CD1 4.39Å; F186-I190 WeakPolarHBondContact O-CB 3.38Å; F186-I190 WeakPolarHBondContact O-CD1 3.25Å; F186-I190 WeakPolarHBondContact O-CG1 3.38Å; F186-I190 PolarHBondContact O-N 3.04Å; I190-S194 WeakPolarHBondContact O-CB 3.15Å; I190-S194 PolarHBondContact O-N 3.48Å; I190-S194 PolarHBondContact O-OG 2.87Å |
| 191 | L | 98.8 | Very high | 98.7 | Very high | 55 Ų | 55 | 23.4 Ų | 23.4 | 29% | 0.288 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -64.3 | -46.8 | 175.7 | -71.4 | 174.4 | 0 | 0 | 0 | 112.1 | L187 L193 S194 F195 L223 | L187-L191 HydrophobicContact CD1-CD1 3.83Å; L187-L191 HydrophobicContact CD1-CG 4.1Å; L187-L191 HydrophobicContact CG-CD1 3.97Å; L187-L191 WeakPolarHBondContact O-CB 3.38Å; L187-L191 VanDerWaalsContact O-CG 3.25Å; L187-L191 WeakPolarHBondContact O-CG 3.48Å; L187-L191 PolarHBondContact O-N 3.39Å; L191-L193 PolarHBondContact O-N 3.49Å; L191-S194 PolarHBondContact O-N 3.5Å; L191-F195 HydrophobicContact CB-CE2 4.16Å; L191-F195 HydrophobicContact CB-CZ 4.42Å; L191-F195 HydrophobicContact CD2-CE1 4.36Å; L191-F195 HydrophobicContact CD2-CZ 3.95Å; L191-F195 WeakPolarHBondContact O-CB 3.45Å; L191-F195 WeakPolarHBondContact O-CD2 3.43Å; L191-F195 VanDerWaalsContact O-CG 3.25Å; L191-F195 WeakPolarHBondContact O-CG 3.35Å; L191-F195 PolarHBondContact O-N 3.15Å; L191-L223 HydrophobicContact CD1-CD1 4.3Å |
| 192 | C | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.02 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56 | -53.4 | 177.7 | -176.7 | 0 | 0 | 0 | 0 | 112 | G188 A189 S194 S196 G220 L224 | G188-C192 WeakPolarHBondContact O-CB 3.32Å; G188-C192 PolarHBondContact O-N 3.3Å; A189-C192 PolarHBondContact O-N 3.37Å; C192-S194 VanDerWaalsContact C-N 3.34Å; C192-S194 PolarHBondContact O-N 3.29Å; C192-S196 VanDerWaalsContact O-CB 3.31Å; C192-S196 WeakPolarHBondContact O-CB 3.45Å; C192-S196 PolarHBondContact O-N 3.2Å; C192-S196 VanDerWaalsContact O-N 3.09Å; C192-G220 VanDerWaalsContact CB-O 3.28Å; C192-G220 WeakPolarHBondContact CB-O 3.23Å; C192-G220 PolarHBondContact SG-O 2.93Å; C192-L224 HydrophobicContact CB-CB 3.81Å; C192-L224 HydrophobicContact CB-CD2 4.41Å |
| 193 | L | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.3 | -37.2 | -178.3 | -63.1 | 170 | 0 | 0 | 0 | 111.1 | H150 C154 F157 A189 L191 S196 W197 V353 V354 | H150-L193 HydrophobicContact CB-CD2 4.11Å; H150-L193 WeakPolarHBondContact CD2-CD2 3.24Å; C154-L193 HydrophobicContact CB-CB 3.87Å; F157-L193 HydrophobicContact CD2-CD1 3.57Å; F157-L193 HydrophobicContact CE2-CD1 4.23Å; F157-L193 HydrophobicContact CG-CD1 4.36Å; A189-L193 WeakPolarHBondContact O-CB 3.33Å; A189-L193 VanDerWaalsContact O-CG 3.26Å; A189-L193 WeakPolarHBondContact O-CG 3.36Å; A189-L193 PolarHBondContact O-N 3.28Å; L191-L193 PolarHBondContact O-N 3.49Å; L193-S196 PolarHBondContact O-N 3.26Å; L193-W197 PolarHBondContact O-N 3.34Å; L193-V353 HydrophobicContact CD2-CG1 4.34Å; L193-V354 HydrophobicContact CD2-CG2 3.94Å |
| 194 | S | 98.9 | Very high | 98.7 | Very high | 26 Ų | 26 | 23.5 Ų | 23.5 | 18% | 0.182 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.3 | -54.3 | 175.1 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | C154 I190 L191 C192 S196 L198 | C154-S194 PolarHBondContact SG-OG 3.26Å; I190-S194 WeakPolarHBondContact O-CB 3.15Å; I190-S194 PolarHBondContact O-N 3.48Å; I190-S194 PolarHBondContact O-OG 2.87Å; L191-S194 PolarHBondContact O-N 3.5Å; C192-S194 VanDerWaalsContact C-N 3.34Å; C192-S194 PolarHBondContact O-N 3.29Å; S194-S196 PolarHBondContact O-N 2.92Å; S194-L198 VanDerWaalsContact O-CB 3.25Å; S194-L198 WeakPolarHBondContact O-CB 3.18Å; S194-L198 WeakPolarHBondContact O-CD1 3.38Å; S194-L198 WeakPolarHBondContact O-CG 3.31Å; S194-L198 PolarHBondContact O-N 2.75Å |
| 195 | F | 98.8 | Very high | 98.7 | Very high | 47 Ų | 47 | 20.8 Ų | 20.8 | 21% | 0.206 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.9 | -37.9 | 179.9 | -63.6 | -26.3 | 0 | 0 | 0 | 111.2 | L191 F199 L216 L223 | L191-F195 HydrophobicContact CB-CE2 4.16Å; L191-F195 HydrophobicContact CB-CZ 4.42Å; L191-F195 HydrophobicContact CD2-CE1 4.36Å; L191-F195 HydrophobicContact CD2-CZ 3.95Å; L191-F195 WeakPolarHBondContact O-CB 3.45Å; L191-F195 WeakPolarHBondContact O-CD2 3.43Å; L191-F195 VanDerWaalsContact O-CG 3.25Å; L191-F195 WeakPolarHBondContact O-CG 3.35Å; L191-F195 PolarHBondContact O-N 3.15Å; F195-F199 VanDerWaalsContact O-CB 3.23Å; F195-F199 WeakPolarHBondContact O-CB 3.33Å; F195-F199 PolarHBondContact O-N 2.91Å; F195-L216 HydrophobicContact CB-CB 4.06Å; F195-L216 HydrophobicContact CD1-CB 4.35Å; F195-L216 HydrophobicContact CD2-CB 4.29Å; F195-L216 VanDerWaalsContact CD2-O 3.29Å; F195-L216 WeakPolarHBondContact CD2-O 3.34Å; F195-L216 HydrophobicContact CG-CB 4Å; F195-L223 HydrophobicContact CE2-CD1 4.11Å |
| 196 | S | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.6 | -53.3 | 179.7 | -162.4 | 0 | 0 | 0 | 0 | 113.6 | H150 C192 L193 S194 L198 F199 H200 D217 | H150-S196 WeakPolarHBondContact ND1-CB 3.29Å; H150-S196 PolarHBondContact ND1-OG 3.24Å; C192-S196 VanDerWaalsContact O-CB 3.31Å; C192-S196 WeakPolarHBondContact O-CB 3.45Å; C192-S196 PolarHBondContact O-N 3.2Å; C192-S196 VanDerWaalsContact O-N 3.09Å; L193-S196 PolarHBondContact O-N 3.26Å; S194-S196 PolarHBondContact O-N 2.92Å; S196-L198 VanDerWaalsContact C-N 3.26Å; S196-L198 PolarHBondContact O-N 3.1Å; S196-F199 PolarHBondContact O-N 2.87Å; S196-H200 PolarHBondContact O-CD2 3.08Å; S196-H200 VanDerWaalsContact O-CD2 3.23Å; S196-H200 PolarHBondContact O-N 3.39Å; S196-D217 WeakPolarHBondContact CA-OD1 3.49Å; S196-D217 WeakPolarHBondContact CB-OD1 3.5Å; S196-D217 PolarHBondContact OG-OD1 3.23Å |
| 197 | W | 98.9 | Very high | 98.6 | Very high | 44 Ų | 44 | 26.6 Ų | 26.6 | 17% | 0.167 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.2 | -31.6 | 179.6 | 81.7 | -108.1 | 0 | 0 | 0 | 111.8 | F134 I137 H150 L151 L193 T201 | F134-W197 HydrophobicContact CE1-CH2 4.06Å; F134-W197 AromaticContact CE1-CZ3 3.84Å; F134-W197 HydrophobicContact CE1-CZ3 3.84Å; I137-W197 HydrophobicContact CD1-CZ3 4.28Å; H150-W197 HydrophobicContact CB-CB 4.03Å; L151-W197 HydrophobicContact CB-CB 4.08Å; L151-W197 HydrophobicContact CB-CD2 4.32Å; L151-W197 HydrophobicContact CB-CG 4Å; L151-W197 HydrophobicContact CD1-CD2 3.8Å; L151-W197 HydrophobicContact CD1-CE3 4.17Å; L151-W197 HydrophobicContact CD1-CG 4.19Å; L151-W197 HydrophobicContact CD1-CH2 4.44Å; L151-W197 HydrophobicContact CD1-CZ2 4.07Å; L151-W197 HydrophobicContact CD1-CZ3 4.48Å; L193-W197 PolarHBondContact O-N 3.34Å; W197-T201 VanDerWaalsContact O-CB 3.28Å; W197-T201 WeakPolarHBondContact O-CB 3.28Å; W197-T201 PolarHBondContact O-N 2.91Å; W197-T201 PolarHBondContact O-OG1 3.36Å |
| 198 | L | 98.9 | Very high | 98.6 | Very high | 43 Ų | 43 | 24.6 Ų | 24.6 | 23% | 0.225 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.8 | -48.5 | 171 | -74.5 | 169.5 | 0 | 0 | 0 | 111.6 | F134 S194 S196 T201 V202 F213 | F134-L198 HydrophobicContact CE1-CD2 4.15Å; F134-L198 HydrophobicContact CZ-CD2 3.9Å; S194-L198 VanDerWaalsContact O-CB 3.25Å; S194-L198 WeakPolarHBondContact O-CB 3.18Å; S194-L198 WeakPolarHBondContact O-CD1 3.38Å; S194-L198 WeakPolarHBondContact O-CG 3.31Å; S194-L198 PolarHBondContact O-N 2.75Å; S196-L198 VanDerWaalsContact C-N 3.26Å; S196-L198 PolarHBondContact O-N 3.1Å; L198-T201 WeakPolarHBondContact O-CB 3.47Å; L198-T201 PolarHBondContact O-N 3.35Å; L198-T201 VanDerWaalsContact O-N 3.15Å; L198-V202 WeakPolarHBondContact O-CG2 3.26Å; L198-V202 PolarHBondContact O-N 3.05Å; L198-F213 HydrophobicContact CB-CD1 4.11Å; L198-F213 HydrophobicContact CB-CE1 3.93Å |
| 199 | F | 98.8 | Very high | 98.5 | Very high | 15 Ų | 15 | 25.6 Ų | 25.6 | 7% | 0.066 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -54.8 | -56.5 | 175.3 | 166.7 | -119 | 0 | 0 | 0 | 110.9 | F195 S196 T201 V202 Y203 F213 D217 | F195-F199 VanDerWaalsContact O-CB 3.23Å; F195-F199 WeakPolarHBondContact O-CB 3.33Å; F195-F199 PolarHBondContact O-N 2.91Å; S196-F199 PolarHBondContact O-N 2.87Å; F199-T201 PolarHBondContact O-N 2.94Å; F199-V202 CarbonylContact O-C 3.59Å; F199-V202 PolarHBondContact O-N 2.94Å; F199-V202 VanDerWaalsContact O-N 3.1Å; F199-Y203 AromaticContact CE2-CD2 3.52Å; F199-Y203 HydrophobicContact CE2-CD2 3.52Å; F199-Y203 HydrophobicContact CE2-CE2 4.18Å; F199-Y203 HydrophobicContact CE2-CG 4.3Å; F199-Y203 AromaticContact CZ-CD2 3.59Å; F199-Y203 HydrophobicContact CZ-CD2 3.59Å; F199-Y203 AromaticContact CZ-CE2 3.96Å; F199-Y203 HydrophobicContact CZ-CE2 3.96Å; F199-Y203 HydrophobicContact CZ-CG 4.28Å; F199-Y203 WeakPolarHBondContact O-CA 3.22Å; F199-Y203 WeakPolarHBondContact O-CB 3.38Å; F199-Y203 PolarHBondContact O-N 3.31Å; F199-F213 HydrophobicContact CB-CB 3.94Å; F199-F213 HydrophobicContact CD2-CB 3.72Å; F199-F213 HydrophobicContact CG-CB 4.3Å; F199-D217 HydrophobicContact CB-CB 4.09Å; F199-D217 HydrophobicContact CD1-CB 3.96Å; F199-D217 HydrophobicContact CG-CB 4.13Å |
| 200 | H | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 25.9 Ų | 25.9 | 3% | 0.028 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.6 | -29 | 179 | -73.7 | -77 | 0 | 0 | 0 | 112.6 | R124 E143 N146 I147 S196 H346 H350 | R124-H200 PolarHBondContact NH2-O 3.4Å; E143-H200 IonicContact OE2-CE1 3.33Å; E143-H200 IonicContact OE2-CG 2.73Å; E143-H200 IonicContact OE2-ND1 3.65Å; E143-H200 PolarHBondContact OE2-ND1 2.84Å; N146-H200 HydrophobicContact CB-CB 4.18Å; I147-H200 HydrophobicContact CG1-CB 3.73Å; S196-H200 PolarHBondContact O-CD2 3.08Å; S196-H200 VanDerWaalsContact O-CD2 3.23Å; S196-H200 PolarHBondContact O-N 3.39Å; H200-H346 AromaticContact CE1-CD2 3.63Å; H200-H346 AromaticContact CE1-CE1 3.91Å; H200-H346 AromaticContact CE1-NE2 3.15Å; H200-H346 PolarHBondContact CE1-NE2 3.4Å; H200-H346 AromaticContact NE2-CD2 3.82Å; H200-H346 AromaticContact NE2-CE1 3.92Å; H200-H346 AromaticContact NE2-NE2 3.04Å; H200-H346 PolarHBondContact NE2-NE2 2.95Å; H200-H350 AromaticContact CD2-CE1 3.5Å; H200-H350 PolarHBondContact CD2-CE1 2.91Å; H200-H350 VanDerWaalsContact CD2-CE1 3.5Å; H200-H350 AromaticContact CD2-NE2 3.97Å; H200-H350 AromaticContact NE2-CE1 3.48Å; H200-H350 PolarHBondContact NE2-CE1 3.2Å; H200-H350 AromaticContact NE2-NE2 3.49Å; H200-H350 PolarHBondContact NE2-NE2 3.09Å |
| 201 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66 | -52 | 171.2 | -63.3 | 0 | 0 | 0 | 0 | 111.7 | R124 C133 F134 I137 W197 L198 F199 | R124-T201 PolarHBondContact NH1-O 3.42Å; C133-T201 WeakPolarHBondContact CB-O 3.22Å; F134-T201 HydrophobicContact CD1-CG2 3.81Å; F134-T201 HydrophobicContact CD2-CG2 4.43Å; F134-T201 HydrophobicContact CE1-CG2 4.01Å; F134-T201 HydrophobicContact CG-CG2 4.03Å; F134-T201 HydrophobicContact CZ-CG2 4.39Å; I137-T201 HydrophobicContact CD1-CG2 3.87Å; I137-T201 HydrophobicContact CG1-CG2 3.92Å; W197-T201 VanDerWaalsContact O-CB 3.28Å; W197-T201 WeakPolarHBondContact O-CB 3.28Å; W197-T201 PolarHBondContact O-N 2.91Å; W197-T201 PolarHBondContact O-OG1 3.36Å; L198-T201 WeakPolarHBondContact O-CB 3.47Å; L198-T201 PolarHBondContact O-N 3.35Å; L198-T201 VanDerWaalsContact O-N 3.15Å; F199-T201 PolarHBondContact O-N 2.94Å |
| 202 | V | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -90.3 | 0.5 | -174 | -50.2 | 0 | 0 | 0 | 0 | 114.2 | F130 F134 L198 F199 C204 H205 V209 F213 | F130-V202 HydrophobicContact CD1-CB 4.38Å; F130-V202 HydrophobicContact CD1-CG1 3.78Å; F130-V202 HydrophobicContact CE1-CB 4.18Å; F130-V202 HydrophobicContact CE1-CG1 3.89Å; F134-V202 HydrophobicContact CE2-CG1 4.2Å; L198-V202 WeakPolarHBondContact O-CG2 3.26Å; L198-V202 PolarHBondContact O-N 3.05Å; F199-V202 CarbonylContact O-C 3.59Å; F199-V202 PolarHBondContact O-N 2.94Å; F199-V202 VanDerWaalsContact O-N 3.1Å; V202-C204 PolarHBondContact O-N 2.89Å; V202-C204 VanDerWaalsContact O-N 3.08Å; V202-H205 WeakPolarHBondContact O-CB 3.32Å; V202-H205 PolarHBondContact O-N 3.07Å; V202-V209 HydrophobicContact CB-CG1 4.11Å; V202-V209 HydrophobicContact CG2-CG1 3.75Å; V202-F213 HydrophobicContact CG2-CB 4.06Å; V202-F213 HydrophobicContact CG2-CD1 3.96Å; V202-F213 HydrophobicContact CG2-CD2 3.71Å; V202-F213 HydrophobicContact CG2-CE1 4.33Å; V202-F213 HydrophobicContact CG2-CE2 4.1Å; V202-F213 HydrophobicContact CG2-CG 3.63Å; V202-F213 HydrophobicContact CG2-CZ 4.39Å |
| 203 | Y | 98.6 | Very high | 98.3 | Very high | 29 Ų | 29 | 33.1 Ų | 33.1 | 11% | 0.114 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -38 | -173.8 | 178.5 | -131.5 | 0 | 0 | 0 | 113.1 | W112 L113 E143 F199 H205 S210 | W112-Y203 VanDerWaalsContact CZ3-O 3.31Å; W112-Y203 WeakPolarHBondContact CZ3-O 3.4Å; W112-Y203 PolarHBondContact O-OH 3.04Å; L113-Y203 WeakPolarHBondContact CA-OH 3.35Å; L113-Y203 HydrophobicContact CD2-CD1 4Å; L113-Y203 HydrophobicContact CD2-CD2 4.22Å; L113-Y203 HydrophobicContact CD2-CE1 3.73Å; L113-Y203 HydrophobicContact CD2-CE2 3.95Å; L113-Y203 HydrophobicContact CD2-CG 4.24Å; L113-Y203 WeakPolarHBondContact CD2-O 3.46Å; L113-Y203 PolarHBondContact O-OH 3.15Å; E143-Y203 HydrophobicContact CG-CD1 4.25Å; F199-Y203 AromaticContact CE2-CD2 3.52Å; F199-Y203 HydrophobicContact CE2-CD2 3.52Å; F199-Y203 HydrophobicContact CE2-CE2 4.18Å; F199-Y203 HydrophobicContact CE2-CG 4.3Å; F199-Y203 AromaticContact CZ-CD2 3.59Å; F199-Y203 HydrophobicContact CZ-CD2 3.59Å; F199-Y203 AromaticContact CZ-CE2 3.96Å; F199-Y203 HydrophobicContact CZ-CE2 3.96Å; F199-Y203 HydrophobicContact CZ-CG 4.28Å; F199-Y203 WeakPolarHBondContact O-CA 3.22Å; F199-Y203 WeakPolarHBondContact O-CB 3.38Å; F199-Y203 PolarHBondContact O-N 3.31Å; Y203-H205 VanDerWaalsContact C-N 3.32Å; Y203-H205 PolarHBondContact O-N 3.25Å; Y203-S210 WeakPolarHBondContact CD2-OG 3.43Å; Y203-S210 VanDerWaalsContact CE2-OG 3.28Å; Y203-S210 WeakPolarHBondContact CE2-OG 3.18Å |
| 204 | C | 98.1 | Very high | 98.3 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 10.2 | 178.7 | 68 | 0 | 0 | 0 | 0 | 115.2 | R124 P126 M127 V202 | R124-C204 HydrophobicContact CB-CB 3.82Å; R124-C204 VanDerWaalsContact CZ-SG 3.6Å; P126-C204 CarbonylContact C-O 3.57Å; P126-C204 WeakPolarHBondContact CA-O 3.37Å; M127-C204 VanDerWaalsContact CE-SG 3.55Å; M127-C204 PolarHBondContact N-O 3.33Å; V202-C204 PolarHBondContact O-N 2.89Å; V202-C204 VanDerWaalsContact O-N 3.08Å |
| 205 | H | 98.3 | Very high | 98.2 | Very high | 21 Ų | 21 | 33.8 Ų | 33.8 | 10% | 0.097 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -72.4 | -66.5 | -172 | -175 | -77.2 | 0 | 0 | 0 | 113.2 | M127 P128 S129 F130 V202 Y203 V209 | M127-H205 CarbonylContact C-O 3.54Å; M127-H205 WeakPolarHBondContact O-CA 3.48Å; P128-H205 WeakPolarHBondContact CA-O 3.35Å; S129-H205 PolarHBondContact N-CD2 2.82Å; S129-H205 PolarHBondContact N-NE2 3.48Å; F130-H205 AromaticContact CD1-CD2 3.98Å; F130-H205 AromaticContact CD2-CD2 3.99Å; F130-H205 AromaticContact CD2-NE2 3.56Å; F130-H205 AromaticContact CE2-NE2 3.62Å; F130-H205 AromaticContact CG-CD2 3.93Å; F130-H205 AromaticContact CG-NE2 3.98Å; F130-H205 PolarHBondContact N-CD2 2.79Å; F130-H205 PolarHBondContact N-NE2 3.22Å; V202-H205 WeakPolarHBondContact O-CB 3.32Å; V202-H205 PolarHBondContact O-N 3.07Å; Y203-H205 VanDerWaalsContact C-N 3.32Å; Y203-H205 PolarHBondContact O-N 3.25Å; H205-V209 HydrophobicContact CB-CB 4.14Å; H205-V209 HydrophobicContact CB-CG1 3.92Å |
| 206 | S | 97.9 | Very high | 98.2 | Very high | 41 Ų | 41 | 34.2 Ų | 34.2 | 29% | 0.287 | 18% | 0.179 | S | C | . | . | trans | -166.1 | 158 | 177.7 | 55.3 | 0 | 0 | 0 | 0 | 108.9 | W112 G208 V209 S210 | W112-S206 VanDerWaalsContact CH2-C 3.49Å; S206-G208 VanDerWaalsContact C-N 3.34Å; S206-G208 PolarHBondContact O-N 3.35Å; S206-V209 PolarHBondContact O-N 2.93Å; S206-S210 PolarHBondContact O-N 3.25Å | ||
| 207 | E | 97.3 | Very high | 98.2 | Very high | 87 Ų | 87 | 34.6 Ų | 34.6 | 41% | 0.407 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -52.4 | -48.1 | -174.8 | -168.3 | -154.9 | 128.4 | 0 | 0 | 112.8 | W112 V209 S210 R211 | W112-E207 HydrophobicContact CB-CB 4.46Å; W112-E207 HydrophobicContact CB-CG 3.84Å; W112-E207 HydrophobicContact CD2-CB 3.93Å; W112-E207 HydrophobicContact CD2-CG 4.28Å; W112-E207 HydrophobicContact CE3-CB 4.43Å; W112-E207 HydrophobicContact CG-CB 3.91Å; W112-E207 HydrophobicContact CG-CG 3.81Å; E207-V209 VanDerWaalsContact C-N 3.34Å; E207-V209 PolarHBondContact O-N 2.91Å; E207-S210 PolarHBondContact O-N 3.44Å; E207-R211 HydrophobicContact CG-CG 4.37Å; E207-R211 WeakPolarHBondContact O-CB 3.27Å; E207-R211 WeakPolarHBondContact O-CG 3.39Å; E207-R211 PolarHBondContact O-N 2.96Å; E207-R211 WeakPolarHBondContact OE1-CD 3.4Å; E207-R211 IonicContact OE1-CZ 3.31Å; E207-R211 IonicContact OE1-NE 3.69Å; E207-R211 IonicContact OE1-NH1 3.44Å; E207-R211 PolarHBondContact OE1-NH1 3.47Å |
| 208 | G | 97.8 | Very high | 98.1 | Very high | 52 Ų | 52 | 33.4 Ų | 33.4 | 54% | 0.536 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.8 | -34.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S206 L212 | S206-G208 VanDerWaalsContact C-N 3.34Å; S206-G208 PolarHBondContact O-N 3.35Å; G208-L212 WeakPolarHBondContact O-CB 3.48Å; G208-L212 PolarHBondContact O-N 3.45Å; G208-L212 VanDerWaalsContact O-N 3.09Å |
| 209 | V | 98.2 | Very high | 98.1 | Very high | 25 Ų | 25 | 32 Ų | 32 | 15% | 0.152 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -73.3 | -42.8 | 174.7 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | F130 V202 H205 S206 E207 L212 F213 | F130-V209 HydrophobicContact CE1-CG1 3.9Å; F130-V209 HydrophobicContact CZ-CG1 3.99Å; F130-V209 HydrophobicContact CZ-CG2 3.99Å; V202-V209 HydrophobicContact CB-CG1 4.11Å; V202-V209 HydrophobicContact CG2-CG1 3.75Å; H205-V209 HydrophobicContact CB-CB 4.14Å; H205-V209 HydrophobicContact CB-CG1 3.92Å; S206-V209 PolarHBondContact O-N 2.93Å; E207-V209 VanDerWaalsContact C-N 3.34Å; E207-V209 PolarHBondContact O-N 2.91Å; V209-L212 PolarHBondContact O-N 2.96Å; V209-F213 HydrophobicContact CG1-CD2 3.97Å; V209-F213 HydrophobicContact CG1-CE2 4.22Å; V209-F213 WeakPolarHBondContact O-CD2 3.35Å; V209-F213 PolarHBondContact O-N 3.07Å |
| 210 | S | 97.9 | Very high | 98.1 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 5% | 0.049 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.8 | -47.5 | 175.8 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | Y203 S206 E207 L212 F213 S214 | Y203-S210 WeakPolarHBondContact CD2-OG 3.43Å; Y203-S210 VanDerWaalsContact CE2-OG 3.28Å; Y203-S210 WeakPolarHBondContact CE2-OG 3.18Å; S206-S210 PolarHBondContact O-N 3.25Å; E207-S210 PolarHBondContact O-N 3.44Å; S210-L212 VanDerWaalsContact C-N 3.34Å; S210-L212 PolarHBondContact O-N 3.24Å; S210-F213 PolarHBondContact O-N 3.44Å; S210-S214 WeakPolarHBondContact O-CB 3.34Å; S210-S214 PolarHBondContact O-N 2.89Å; S210-S214 PolarHBondContact O-OG 2.98Å |
| 211 | R | 96.6 | Very high | 98.1 | Very high | 104 Ų | 104 | 32.3 Ų | 32.3 | 39% | 0.392 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66.3 | -27.9 | 176.1 | -75.2 | 173 | 62.7 | -170.3 | -3.8 | 114.2 | E207 S214 K215 D265 | E207-R211 HydrophobicContact CG-CG 4.37Å; E207-R211 WeakPolarHBondContact O-CB 3.27Å; E207-R211 WeakPolarHBondContact O-CG 3.39Å; E207-R211 PolarHBondContact O-N 2.96Å; E207-R211 WeakPolarHBondContact OE1-CD 3.4Å; E207-R211 IonicContact OE1-CZ 3.31Å; E207-R211 IonicContact OE1-NE 3.69Å; E207-R211 IonicContact OE1-NH1 3.44Å; E207-R211 PolarHBondContact OE1-NH1 3.47Å; R211-S214 PolarHBondContact O-OG 2.76Å; R211-K215 WeakPolarHBondContact O-CD 3.25Å; R211-K215 WeakPolarHBondContact O-CE 3.41Å; R211-K215 VanDerWaalsContact O-CG 3.24Å; R211-K215 WeakPolarHBondContact O-CG 3.21Å; R211-D265 IonicContact CZ-OD1 2.78Å; R211-D265 IonicContact NE-OD1 2.65Å; R211-D265 PolarHBondContact NE-OD1 3.24Å; R211-D265 IonicContact NH2-OD1 3.41Å; R211-D265 PolarHBondContact NH2-OD1 2.88Å; R211-D265 IonicContact NH2-OD2 3.12Å; R211-D265 PolarHBondContact NH2-OD2 3.4Å |
| 212 | L | 98.1 | Very high | 98.1 | Very high | 102 Ų | 102 | 32.3 Ų | 32.3 | 53% | 0.534 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -73.5 | -49.6 | 173.1 | 175.6 | 61 | 0 | 0 | 0 | 110.7 | G208 V209 S210 K215 L216 | G208-L212 WeakPolarHBondContact O-CB 3.48Å; G208-L212 PolarHBondContact O-N 3.45Å; G208-L212 VanDerWaalsContact O-N 3.09Å; V209-L212 PolarHBondContact O-N 2.96Å; S210-L212 VanDerWaalsContact C-N 3.34Å; S210-L212 PolarHBondContact O-N 3.24Å; L212-K215 PolarHBondContact O-N 3.47Å; L212-L216 PolarHBondContact O-N 2.89Å |
| 213 | F | 98.3 | Very high | 98.1 | Very high | 40 Ų | 40 | 34.7 Ų | 34.7 | 18% | 0.175 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -75.1 | -28 | -174.9 | -83.2 | -98.4 | 0 | 0 | 0 | 113.3 | L198 F199 V202 V209 S210 K215 L216 D217 | L198-F213 HydrophobicContact CB-CD1 4.11Å; L198-F213 HydrophobicContact CB-CE1 3.93Å; F199-F213 HydrophobicContact CB-CB 3.94Å; F199-F213 HydrophobicContact CD2-CB 3.72Å; F199-F213 HydrophobicContact CG-CB 4.3Å; V202-F213 HydrophobicContact CG2-CB 4.06Å; V202-F213 HydrophobicContact CG2-CD1 3.96Å; V202-F213 HydrophobicContact CG2-CD2 3.71Å; V202-F213 HydrophobicContact CG2-CE1 4.33Å; V202-F213 HydrophobicContact CG2-CE2 4.1Å; V202-F213 HydrophobicContact CG2-CG 3.63Å; V202-F213 HydrophobicContact CG2-CZ 4.39Å; V209-F213 HydrophobicContact CG1-CD2 3.97Å; V209-F213 HydrophobicContact CG1-CE2 4.22Å; V209-F213 WeakPolarHBondContact O-CD2 3.35Å; V209-F213 PolarHBondContact O-N 3.07Å; S210-F213 PolarHBondContact O-N 3.44Å; F213-K215 VanDerWaalsContact C-N 3.33Å; F213-K215 PolarHBondContact O-N 2.87Å; F213-L216 HydrophobicContact CD1-CD1 4.26Å; F213-L216 HydrophobicContact CE1-CD1 4.44Å; F213-L216 WeakPolarHBondContact O-CB 3.31Å; F213-L216 PolarHBondContact O-N 3.2Å; F213-D217 PolarHBondContact O-N 3.5Å |
| 214 | S | 97.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.5 | -36.3 | 171.9 | 63 | 0 | 0 | 0 | 0 | 112.4 | S210 R211 L216 D217 Y218 | S210-S214 WeakPolarHBondContact O-CB 3.34Å; S210-S214 PolarHBondContact O-N 2.89Å; S210-S214 PolarHBondContact O-OG 2.98Å; R211-S214 PolarHBondContact O-OG 2.76Å; S214-L216 VanDerWaalsContact C-N 3.3Å; S214-L216 PolarHBondContact O-N 2.81Å; S214-D217 PolarHBondContact O-N 3.15Å; S214-Y218 WeakPolarHBondContact O-CB 3.41Å; S214-Y218 VanDerWaalsContact O-CD2 3.31Å; S214-Y218 WeakPolarHBondContact O-CD2 3.26Å; S214-Y218 PolarHBondContact O-N 3.37Å |
| 215 | K | 98.3 | Very high | 98.2 | Very high | 37 Ų | 37 | 33.8 Ų | 33.8 | 16% | 0.161 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.5 | -35.6 | 172.9 | -65.9 | 177.4 | -171.3 | -162.6 | 0 | 111.6 | R211 L212 F213 S219 Q263 D265 | R211-K215 WeakPolarHBondContact O-CD 3.25Å; R211-K215 WeakPolarHBondContact O-CE 3.41Å; R211-K215 VanDerWaalsContact O-CG 3.24Å; R211-K215 WeakPolarHBondContact O-CG 3.21Å; L212-K215 PolarHBondContact O-N 3.47Å; F213-K215 VanDerWaalsContact C-N 3.33Å; F213-K215 PolarHBondContact O-N 2.87Å; K215-S219 VanDerWaalsContact O-CB 3.28Å; K215-S219 WeakPolarHBondContact O-CB 3.23Å; K215-S219 PolarHBondContact O-N 3.48Å; K215-S219 PolarHBondContact O-OG 3.29Å; K215-Q263 VanDerWaalsContact CE-O 3.29Å; K215-Q263 WeakPolarHBondContact CE-O 3.31Å; K215-Q263 PolarHBondContact NZ-O 3.07Å; K215-D265 VanDerWaalsContact CE-OD1 3.3Å; K215-D265 WeakPolarHBondContact CE-OD1 2.99Å; K215-D265 VanDerWaalsContact NZ-CG 3.32Å; K215-D265 IonicContact NZ-OD1 3.81Å; K215-D265 PolarHBondContact NZ-OD1 3.17Å; K215-D265 IonicContact NZ-OD2 3.63Å; K215-D265 PolarHBondContact NZ-OD2 3.14Å |
| 216 | L | 98.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 34.2 Ų | 34.2 | 29% | 0.293 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -69.6 | -45 | 173.6 | -65.7 | 175.2 | 0 | 0 | 0 | 112.2 | F195 L212 F213 S214 S219 G220 | F195-L216 HydrophobicContact CB-CB 4.06Å; F195-L216 HydrophobicContact CD1-CB 4.35Å; F195-L216 HydrophobicContact CD2-CB 4.29Å; F195-L216 VanDerWaalsContact CD2-O 3.29Å; F195-L216 WeakPolarHBondContact CD2-O 3.34Å; F195-L216 HydrophobicContact CG-CB 4Å; L212-L216 PolarHBondContact O-N 2.89Å; F213-L216 HydrophobicContact CD1-CD1 4.26Å; F213-L216 HydrophobicContact CE1-CD1 4.44Å; F213-L216 WeakPolarHBondContact O-CB 3.31Å; F213-L216 PolarHBondContact O-N 3.2Å; S214-L216 VanDerWaalsContact C-N 3.3Å; S214-L216 PolarHBondContact O-N 2.81Å; L216-S219 PolarHBondContact O-N 2.92Å; L216-G220 PolarHBondContact O-N 3.47Å |
| 217 | D | 98.4 | Very high | 98.2 | Very high | 9 Ų | 9 | 32.5 Ų | 32.5 | 5% | 0.048 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.4 | -53.3 | 175.8 | 175.8 | 69.3 | 0 | 0 | 0 | 111.5 | S196 F199 F213 S214 S219 G220 I221 | S196-D217 WeakPolarHBondContact CA-OD1 3.49Å; S196-D217 WeakPolarHBondContact CB-OD1 3.5Å; S196-D217 PolarHBondContact OG-OD1 3.23Å; F199-D217 HydrophobicContact CB-CB 4.09Å; F199-D217 HydrophobicContact CD1-CB 3.96Å; F199-D217 HydrophobicContact CG-CB 4.13Å; F213-D217 PolarHBondContact O-N 3.5Å; S214-D217 PolarHBondContact O-N 3.15Å; D217-S219 VanDerWaalsContact C-N 3.34Å; D217-S219 PolarHBondContact O-N 3.28Å; D217-G220 WeakPolarHBondContact O-CA 3.16Å; D217-G220 PolarHBondContact O-N 2.94Å; D217-I221 PolarHBondContact O-N 3.38Å |
| 218 | Y | 97.8 | Very high | 98.3 | Very high | 19 Ų | 19 | 28.8 Ų | 28.8 | 8% | 0.075 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.1 | -38.8 | 176.4 | -60.9 | -20 | 0 | 0 | 0 | 113 | S214 G220 I221 F267 A268 R276 F280 | S214-Y218 WeakPolarHBondContact O-CB 3.41Å; S214-Y218 VanDerWaalsContact O-CD2 3.31Å; S214-Y218 WeakPolarHBondContact O-CD2 3.26Å; S214-Y218 PolarHBondContact O-N 3.37Å; Y218-G220 VanDerWaalsContact C-N 3.29Å; Y218-G220 PolarHBondContact O-N 3.25Å; Y218-I221 PolarHBondContact O-N 2.85Å; Y218-F267 AromaticContact CD2-CD1 3.79Å; Y218-F267 HydrophobicContact CD2-CD1 3.79Å; Y218-F267 AromaticContact CD2-CE1 3.97Å; Y218-F267 HydrophobicContact CD2-CE1 3.97Å; Y218-F267 HydrophobicContact CE2-CD1 4.11Å; Y218-F267 HydrophobicContact CG-CE1 4.27Å; Y218-A268 HydrophobicContact CE2-CB 3.99Å; Y218-R276 VanDerWaalsContact CZ-CD 3.43Å; Y218-R276 PolarHBondContact OH-NE 3.48Å; Y218-F280 WeakPolarHBondContact O-CE1 3.41Å; Y218-F280 VanDerWaalsContact O-CZ 3.25Å; Y218-F280 WeakPolarHBondContact O-CZ 3.36Å |
| 219 | S | 98.6 | Very high | 98.3 | Very high | 12 Ų | 12 | 27.1 Ų | 27.1 | 8% | 0.084 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.3 | -33.4 | 174.2 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | K215 L216 D217 I221 A222 L223 Q263 | K215-S219 VanDerWaalsContact O-CB 3.28Å; K215-S219 WeakPolarHBondContact O-CB 3.23Å; K215-S219 PolarHBondContact O-N 3.48Å; K215-S219 PolarHBondContact O-OG 3.29Å; L216-S219 PolarHBondContact O-N 2.92Å; D217-S219 VanDerWaalsContact C-N 3.34Å; D217-S219 PolarHBondContact O-N 3.28Å; S219-I221 PolarHBondContact O-N 2.98Å; S219-A222 PolarHBondContact O-N 3.12Å; S219-L223 WeakPolarHBondContact O-CG 3.4Å; S219-L223 PolarHBondContact O-N 3.47Å; S219-Q263 PolarHBondContact OG-NE2 3.39Å; S219-Q263 VanDerWaalsContact OG-NE2 3.13Å |
| 220 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.7 | -44.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C192 L216 D217 Y218 A222 L223 L224 | C192-G220 VanDerWaalsContact CB-O 3.28Å; C192-G220 WeakPolarHBondContact CB-O 3.23Å; C192-G220 PolarHBondContact SG-O 2.93Å; L216-G220 PolarHBondContact O-N 3.47Å; D217-G220 WeakPolarHBondContact O-CA 3.16Å; D217-G220 PolarHBondContact O-N 2.94Å; Y218-G220 VanDerWaalsContact C-N 3.29Å; Y218-G220 PolarHBondContact O-N 3.25Å; G220-A222 VanDerWaalsContact C-N 3.32Å; G220-A222 PolarHBondContact O-N 3.46Å; G220-L223 PolarHBondContact O-N 2.91Å; G220-L223 VanDerWaalsContact O-N 3.13Å; G220-L224 PolarHBondContact O-N 3.47Å |
| 221 | I | 98.6 | Very high | 98.3 | Very high | 29 Ų | 29 | 26.9 Ų | 26.9 | 15% | 0.149 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 177.8 | -57.4 | 172.1 | 0 | 0 | 0 | 110.6 | D217 Y218 S219 L224 I225 F280 | D217-I221 PolarHBondContact O-N 3.38Å; Y218-I221 PolarHBondContact O-N 2.85Å; S219-I221 PolarHBondContact O-N 2.98Å; I221-L224 PolarHBondContact O-N 3.05Å; I221-I225 HydrophobicContact CG2-CD1 3.95Å; I221-I225 WeakPolarHBondContact O-CG1 3.43Å; I221-I225 PolarHBondContact O-N 3.46Å; I221-I225 VanDerWaalsContact O-N 3.07Å; I221-F280 HydrophobicContact CB-CD1 4Å; I221-F280 HydrophobicContact CB-CE1 4.05Å; I221-F280 HydrophobicContact CB-CG 4.31Å; I221-F280 HydrophobicContact CB-CZ 4.39Å; I221-F280 HydrophobicContact CD1-CD2 4.13Å; I221-F280 HydrophobicContact CD1-CE2 4.12Å; I221-F280 HydrophobicContact CG2-CB 3.92Å; I221-F280 HydrophobicContact CG2-CD1 3.6Å; I221-F280 HydrophobicContact CG2-CD2 4.26Å; I221-F280 HydrophobicContact CG2-CE1 4.18Å; I221-F280 HydrophobicContact CG2-CG 3.66Å |
| 222 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64 | -40.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S219 G220 I225 M226 A258 I259 F280 L283 | S219-A222 PolarHBondContact O-N 3.12Å; G220-A222 VanDerWaalsContact C-N 3.32Å; G220-A222 PolarHBondContact O-N 3.46Å; A222-I225 PolarHBondContact O-N 3.43Å; A222-M226 WeakPolarHBondContact O-CB 3.38Å; A222-M226 VanDerWaalsContact O-CG 3.27Å; A222-M226 WeakPolarHBondContact O-CG 3.21Å; A222-M226 PolarHBondContact O-N 2.96Å; A222-A258 HydrophobicContact CB-CB 4.35Å; A222-I259 HydrophobicContact CB-CD1 4.15Å; A222-I259 HydrophobicContact CB-CG1 3.65Å; A222-F280 HydrophobicContact CB-CE1 4.26Å; A222-L283 HydrophobicContact CB-CD2 4.11Å |
| 223 | L | 98.8 | Very high | 98.4 | Very high | 50 Ų | 50 | 17.8 Ų | 17.8 | 26% | 0.262 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -64.7 | -38.1 | 177.4 | -69.6 | 170.8 | 0 | 0 | 0 | 112.9 | L191 F195 S219 G220 G227 I259 | L191-L223 HydrophobicContact CD1-CD1 4.3Å; F195-L223 HydrophobicContact CE2-CD1 4.11Å; S219-L223 WeakPolarHBondContact O-CG 3.4Å; S219-L223 PolarHBondContact O-N 3.47Å; G220-L223 PolarHBondContact O-N 2.91Å; G220-L223 VanDerWaalsContact O-N 3.13Å; L223-G227 PolarHBondContact O-N 2.89Å; L223-I259 HydrophobicContact CD2-CD1 4.17Å; L223-I259 HydrophobicContact CG-CD1 4.32Å |
| 224 | L | 98.8 | Very high | 98.3 | Very high | 11 Ų | 11 | 17 Ų | 17 | 6% | 0.058 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.7 | -46.5 | 171.9 | 168 | 59.4 | 0 | 0 | 0 | 111.2 | F185 A189 C192 G220 I221 G227 S228 V353 A357 | F185-L224 HydrophobicContact CE2-CD1 4.05Å; A189-L224 HydrophobicContact CB-CD1 3.97Å; C192-L224 HydrophobicContact CB-CB 3.81Å; C192-L224 HydrophobicContact CB-CD2 4.41Å; G220-L224 PolarHBondContact O-N 3.47Å; I221-L224 PolarHBondContact O-N 3.05Å; L224-G227 PolarHBondContact O-N 3.31Å; L224-S228 WeakPolarHBondContact O-CB 3.4Å; L224-S228 PolarHBondContact O-N 3.31Å; L224-S228 PolarHBondContact O-OG 3.5Å; L224-V353 HydrophobicContact CD2-CG1 3.98Å; L224-A357 HydrophobicContact CD1-CB 4.42Å |
| 225 | I | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63 | -51.4 | 179.7 | -63.6 | 162.3 | 0 | 0 | 0 | 110 | I221 A222 G227 S228 F229 I251 F280 L283 Y319 | I221-I225 HydrophobicContact CG2-CD1 3.95Å; I221-I225 WeakPolarHBondContact O-CG1 3.43Å; I221-I225 PolarHBondContact O-N 3.46Å; I221-I225 VanDerWaalsContact O-N 3.07Å; A222-I225 PolarHBondContact O-N 3.43Å; I225-G227 VanDerWaalsContact C-N 3.35Å; I225-G227 PolarHBondContact O-N 3.44Å; I225-S228 PolarHBondContact O-N 3.11Å; I225-S228 PolarHBondContact O-OG 2.92Å; I225-F229 HydrophobicContact CG2-CD2 4.26Å; I225-F229 HydrophobicContact CG2-CE2 3.91Å; I225-F229 VanDerWaalsContact O-CD2 3.32Å; I225-F229 WeakPolarHBondContact O-CD2 3.24Å; I225-F229 PolarHBondContact O-N 3.46Å; I225-I251 HydrophobicContact CG2-CD1 4.32Å; I225-F280 HydrophobicContact CD1-CB 4.46Å; I225-L283 HydrophobicContact CB-CD2 4.18Å; I225-L283 HydrophobicContact CB-CG 4.39Å; I225-L283 HydrophobicContact CD1-CB 4.31Å; I225-L283 HydrophobicContact CD1-CD2 3.97Å; I225-L283 HydrophobicContact CD1-CG 4.28Å; I225-L283 HydrophobicContact CG2-CD2 4.19Å; I225-L283 HydrophobicContact CG2-CG 3.86Å; I225-Y319 HydrophobicContact CD1-CE1 4.26Å; I225-Y319 HydrophobicContact CG1-CE1 4.18Å; I225-Y319 WeakPolarHBondContact CG1-OH 3.27Å |
| 226 | M | 98.8 | Very high | 98.1 | Very high | 30 Ų | 30 | 15.4 Ų | 15.4 | 15% | 0.148 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -53.5 | -49.9 | 174.6 | -71.3 | 165.9 | 62.1 | 0 | 0 | 111.8 | A222 S228 F229 V230 C252 I259 | A222-M226 WeakPolarHBondContact O-CB 3.38Å; A222-M226 VanDerWaalsContact O-CG 3.27Å; A222-M226 WeakPolarHBondContact O-CG 3.21Å; A222-M226 PolarHBondContact O-N 2.96Å; M226-S228 VanDerWaalsContact C-N 3.34Å; M226-S228 PolarHBondContact O-N 3Å; M226-F229 PolarHBondContact O-N 2.68Å; M226-V230 WeakPolarHBondContact O-CG2 3.48Å; M226-C252 HydrophobicContact CE-CB 4.49Å; M226-I259 HydrophobicContact SD-CD1 4.33Å |
| 227 | G | 98.7 | Very high | 97.9 | Very high | 6 Ų | 6 | 13 Ų | 13 | 6% | 0.062 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.3 | -39.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F185 L223 L224 I225 F229 V230 P231 | F185-G227 WeakPolarHBondContact CA-O 3.46Å; L223-G227 PolarHBondContact O-N 2.89Å; L224-G227 PolarHBondContact O-N 3.31Å; I225-G227 VanDerWaalsContact C-N 3.35Å; I225-G227 PolarHBondContact O-N 3.44Å; G227-F229 PolarHBondContact O-N 3.43Å; G227-V230 PolarHBondContact O-N 3.34Å; G227-P231 WeakPolarHBondContact O-CD 3.42Å |
| 228 | S | 98.5 | Very high | 97.8 | Very high | 9 Ų | 9 | 14.9 Ų | 14.9 | 6% | 0.063 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68.2 | -30.3 | 178.8 | 68.2 | 0 | 0 | 0 | 0 | 113.8 | L224 I225 M226 V230 H360 | L224-S228 WeakPolarHBondContact O-CB 3.4Å; L224-S228 PolarHBondContact O-N 3.31Å; L224-S228 PolarHBondContact O-OG 3.5Å; I225-S228 PolarHBondContact O-N 3.11Å; I225-S228 PolarHBondContact O-OG 2.92Å; M226-S228 VanDerWaalsContact C-N 3.34Å; M226-S228 PolarHBondContact O-N 3Å; S228-V230 VanDerWaalsContact C-N 3.28Å; S228-V230 PolarHBondContact O-N 3.09Å; S228-H360 PolarHBondContact O-CE1 3.19Å; S228-H360 PolarHBondContact O-NE2 3.43Å; S228-H360 VanDerWaalsContact O-NE2 3.09Å |
| 229 | F | 98.6 | Very high | 97.6 | Very high | 17 Ų | 17 | 16.7 Ų | 16.7 | 8% | 0.075 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68.7 | -27.3 | 175.6 | -84.7 | -128.7 | 0 | 0 | 0 | 112.3 | I225 M226 G227 W232 L233 I251 | I225-F229 HydrophobicContact CG2-CD2 4.26Å; I225-F229 HydrophobicContact CG2-CE2 3.91Å; I225-F229 VanDerWaalsContact O-CD2 3.32Å; I225-F229 WeakPolarHBondContact O-CD2 3.24Å; I225-F229 PolarHBondContact O-N 3.46Å; M226-F229 PolarHBondContact O-N 2.68Å; G227-F229 PolarHBondContact O-N 3.43Å; F229-W232 HydrophobicContact CD1-CE3 4.44Å; F229-W232 HydrophobicContact CD1-CZ3 4.21Å; F229-W232 HydrophobicContact CE1-CZ3 4.24Å; F229-W232 HydrophobicContact CG-CE3 4.49Å; F229-L233 HydrophobicContact CB-CD1 4.15Å; F229-L233 HydrophobicContact CD1-CD1 4.19Å; F229-L233 VanDerWaalsContact O-CB 3.28Å; F229-L233 WeakPolarHBondContact O-CB 3.31Å; F229-L233 VanDerWaalsContact O-CG 3.26Å; F229-L233 WeakPolarHBondContact O-CG 3.49Å; F229-L233 PolarHBondContact O-N 2.84Å; F229-I251 HydrophobicContact CB-CB 4.47Å; F229-I251 HydrophobicContact CB-CG1 4.12Å; F229-I251 HydrophobicContact CB-CG2 4Å; F229-I251 HydrophobicContact CD1-CB 3.89Å; F229-I251 HydrophobicContact CD1-CD1 3.93Å; F229-I251 HydrophobicContact CD1-CG1 3.67Å; F229-I251 HydrophobicContact CD1-CG2 4.21Å; F229-I251 HydrophobicContact CD2-CD1 4.33Å; F229-I251 HydrophobicContact CD2-CG1 4.18Å; F229-I251 HydrophobicContact CE1-CB 4.38Å; F229-I251 HydrophobicContact CE1-CD1 3.73Å; F229-I251 HydrophobicContact CE1-CG1 4.03Å; F229-I251 HydrophobicContact CE2-CD1 4.16Å; F229-I251 HydrophobicContact CG-CB 4.31Å; F229-I251 HydrophobicContact CG-CD1 4.22Å; F229-I251 HydrophobicContact CG-CG1 3.74Å; F229-I251 HydrophobicContact CG-CG2 4.37Å; F229-I251 HydrophobicContact CZ-CD1 3.85Å; F229-I251 HydrophobicContact CZ-CG1 4.43Å |
| 230 | V | 98.6 | Very high | 97.4 | Very high | 26 Ų | 26 | 19.2 Ų | 19.2 | 16% | 0.158 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.1 | -57.6 | -174 | -171.6 | 0 | 0 | 0 | 0 | 113.8 | V181 L184 M226 G227 S228 Y234 L248 | V181-V230 HydrophobicContact CB-CG1 4.03Å; V181-V230 HydrophobicContact CG1-CG1 4.08Å; L184-V230 HydrophobicContact CB-CB 4.49Å; L184-V230 HydrophobicContact CD1-CG1 3.99Å; M226-V230 WeakPolarHBondContact O-CG2 3.48Å; G227-V230 PolarHBondContact O-N 3.34Å; S228-V230 VanDerWaalsContact C-N 3.28Å; S228-V230 PolarHBondContact O-N 3.09Å; V230-Y234 WeakPolarHBondContact O-CB 3.38Å; V230-Y234 PolarHBondContact O-N 3.29Å; V230-Y234 VanDerWaalsContact O-N 3.13Å; V230-L248 HydrophobicContact CB-CD2 4.36Å; V230-L248 HydrophobicContact CG1-CD2 4.33Å; V230-L248 HydrophobicContact CG2-CD2 4.12Å |
| 231 | P | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.4 | -34.4 | 178.9 | 28.3 | -33.9 | 0 | 0 | 0 | 112.2 | V181 V182 F185 G227 Y234 Y235 V364 | V181-P231 HydrophobicContact CB-CB 4.39Å; V181-P231 HydrophobicContact CG2-CB 4.21Å; V181-P231 WeakPolarHBondContact O-CD 3.49Å; V182-P231 HydrophobicContact CG2-CB 3.75Å; F185-P231 HydrophobicContact CB-CG 3.89Å; G227-P231 WeakPolarHBondContact O-CD 3.42Å; P231-Y234 PolarHBondContact O-N 3.49Å; P231-Y235 HydrophobicContact CB-CE2 4.46Å; P231-Y235 WeakPolarHBondContact O-CD2 3.18Å; P231-Y235 PolarHBondContact O-N 3Å; P231-Y235 VanDerWaalsContact O-N 3.12Å; P231-V364 HydrophobicContact CB-CB 4.35Å; P231-V364 HydrophobicContact CB-CG1 4.42Å; P231-V364 HydrophobicContact CB-CG2 4.43Å; P231-V364 HydrophobicContact CG-CG1 4.28Å; P231-V364 HydrophobicContact CG-CG2 4.31Å |
| 232 | W | 97.7 | Very high | 97.2 | Very high | 16 Ų | 16 | 28.8 Ų | 28.8 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.4 | -46.7 | 180 | 171.6 | 58.8 | 0 | 0 | 0 | 112.5 | F229 Y234 S236 P290 T291 L312 V364 | F229-W232 HydrophobicContact CD1-CE3 4.44Å; F229-W232 HydrophobicContact CD1-CZ3 4.21Å; F229-W232 HydrophobicContact CE1-CZ3 4.24Å; F229-W232 HydrophobicContact CG-CE3 4.49Å; W232-Y234 VanDerWaalsContact C-N 3.34Å; W232-S236 PolarHBondContact NE1-OG 2.93Å; W232-S236 VanDerWaalsContact O-CB 3.28Å; W232-S236 WeakPolarHBondContact O-CB 3.49Å; W232-S236 PolarHBondContact O-N 3.17Å; W232-S236 PolarHBondContact O-OG 3.31Å; W232-P290 HydrophobicContact CH2-CB 3.98Å; W232-P290 HydrophobicContact CH2-CG 3.84Å; W232-P290 HydrophobicContact CZ3-CB 4.3Å; W232-P290 HydrophobicContact CZ3-CG 3.91Å; W232-T291 WeakPolarHBondContact CH2-OG1 3.42Å; W232-T291 WeakPolarHBondContact CZ2-OG1 3.5Å; W232-L312 HydrophobicContact CZ2-CD1 4.01Å; W232-L312 HydrophobicContact CZ2-CD2 4.1Å; W232-V364 HydrophobicContact CB-CG1 3.88Å |
| 233 | L | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.4 | -38.3 | 175.2 | -69 | 173.2 | 0 | 0 | 0 | 111.4 | F229 Y235 S236 F237 Y247 L248 P290 | F229-L233 HydrophobicContact CB-CD1 4.15Å; F229-L233 HydrophobicContact CD1-CD1 4.19Å; F229-L233 VanDerWaalsContact O-CB 3.28Å; F229-L233 WeakPolarHBondContact O-CB 3.31Å; F229-L233 VanDerWaalsContact O-CG 3.26Å; F229-L233 WeakPolarHBondContact O-CG 3.49Å; F229-L233 PolarHBondContact O-N 2.84Å; L233-Y235 PolarHBondContact O-N 3.5Å; L233-S236 PolarHBondContact O-N 3.2Å; L233-F237 HydrophobicContact CD2-CD2 3.88Å; L233-F237 HydrophobicContact CD2-CE2 3.79Å; L233-F237 PolarHBondContact O-N 3.28Å; L233-Y247 HydrophobicContact CD2-CD2 4.47Å; L233-L248 HydrophobicContact CD1-CD2 3.93Å; L233-L248 HydrophobicContact CD1-CG 4.01Å; L233-P290 HydrophobicContact CD2-CB 3.74Å; L233-P290 HydrophobicContact CD2-CG 4.18Å |
| 234 | Y | 97.7 | Very high | 97.1 | Very high | 23 Ų | 23 | 27.5 Ų | 27.5 | 9% | 0.09 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.8 | -47.6 | 177.3 | 174.9 | -103.8 | 0 | 0 | 0 | 112.8 | Q177 E178 V181 V230 P231 W232 Y238 | Q177-Y234 HydrophobicContact CG-CE2 3.95Å; Q177-Y234 PolarHBondContact OE1-OH 3.26Å; E178-Y234 HydrophobicContact CG-CE1 4.05Å; V181-Y234 HydrophobicContact CG1-CD1 4.49Å; V181-Y234 HydrophobicContact CG1-CD2 4.29Å; V181-Y234 HydrophobicContact CG1-CG 4.08Å; V181-Y234 HydrophobicContact CG2-CD1 3.75Å; V181-Y234 HydrophobicContact CG2-CE1 4.27Å; V181-Y234 HydrophobicContact CG2-CG 4.11Å; V230-Y234 WeakPolarHBondContact O-CB 3.38Å; V230-Y234 PolarHBondContact O-N 3.29Å; V230-Y234 VanDerWaalsContact O-N 3.13Å; P231-Y234 PolarHBondContact O-N 3.49Å; W232-Y234 VanDerWaalsContact C-N 3.34Å; Y234-Y238 HydrophobicContact CE1-CD2 4.07Å; Y234-Y238 HydrophobicContact CE1-CE2 4.01Å; Y234-Y238 HydrophobicContact CE2-CD2 4.45Å; Y234-Y238 HydrophobicContact CE2-CE2 4.47Å; Y234-Y238 AromaticContact CZ-CE2 3.77Å; Y234-Y238 WeakPolarHBondContact O-CA 3.43Å; Y234-Y238 WeakPolarHBondContact O-CB 3.38Å; Y234-Y238 PolarHBondContact O-N 3.45Å |
| 235 | Y | 95.8 | Very high | 97 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 2% | 0.02 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -77.4 | -33.6 | 178.3 | -64.9 | -62.4 | 0 | 0 | 0 | 113.3 | E178 V182 P231 L233 Y238 L367 Q368 R371 | E178-Y235 HydrophobicContact CG-CE1 4.17Å; E178-Y235 WeakPolarHBondContact CG-OH 3.25Å; V182-Y235 HydrophobicContact CG2-CE2 4.48Å; P231-Y235 HydrophobicContact CB-CE2 4.46Å; P231-Y235 WeakPolarHBondContact O-CD2 3.18Å; P231-Y235 PolarHBondContact O-N 3Å; P231-Y235 VanDerWaalsContact O-N 3.12Å; L233-Y235 PolarHBondContact O-N 3.5Å; Y235-Y238 WeakPolarHBondContact O-CB 3.39Å; Y235-L367 HydrophobicContact CD2-CB 4.06Å; Y235-L367 HydrophobicContact CG-CB 4.04Å; Y235-Q368 HydrophobicContact CE1-CB 4.21Å; Y235-Q368 HydrophobicContact CE1-CG 4.31Å; Y235-Q368 HydrophobicContact CE2-CB 4.02Å; Y235-Q368 WeakPolarHBondContact OH-CG 3.4Å; Y235-R371 HydrophobicContact CD1-CB 4.08Å; Y235-R371 HydrophobicContact CD1-CG 4.29Å; Y235-R371 HydrophobicContact CE1-CB 4.36Å; Y235-R371 HydrophobicContact CE1-CG 4.47Å |
| 236 | S | 94.3 | Very high | 97 | Very high | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.028 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.6 | -43.9 | -178.7 | -52.5 | 0 | 0 | 0 | 0 | 111.9 | W232 L233 F294 Q308 | W232-S236 PolarHBondContact NE1-OG 2.93Å; W232-S236 VanDerWaalsContact O-CB 3.28Å; W232-S236 WeakPolarHBondContact O-CB 3.49Å; W232-S236 PolarHBondContact O-N 3.17Å; W232-S236 PolarHBondContact O-OG 3.31Å; L233-S236 PolarHBondContact O-N 3.2Å; S236-F294 VanDerWaalsContact O-CD2 3.32Å; S236-F294 WeakPolarHBondContact O-CD2 3.38Å; S236-F294 WeakPolarHBondContact O-CE2 3.24Å; S236-Q308 PolarHBondContact OG-NE2 3.32Å |
| 237 | F | 95.6 | Very high | 97 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 2% | 0.022 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 28.7 | 178.9 | -65.4 | -78.6 | 0 | 0 | 0 | 112.3 | L233 C239 N240 P243 C244 Y247 P290 H293 F294 | L233-F237 HydrophobicContact CD2-CD2 3.88Å; L233-F237 HydrophobicContact CD2-CE2 3.79Å; L233-F237 PolarHBondContact O-N 3.28Å; F237-C239 VanDerWaalsContact C-N 3.26Å; F237-C239 PolarHBondContact O-N 3.45Å; F237-N240 CarbonylContact O-C 3.57Å; F237-N240 VanDerWaalsContact O-C 3.31Å; F237-N240 PolarHBondContact O-N 2.87Å; F237-P243 HydrophobicContact CD1-CB 3.95Å; F237-P243 HydrophobicContact CD1-CG 3.62Å; F237-P243 HydrophobicContact CE1-CB 3.99Å; F237-P243 HydrophobicContact CE1-CG 4.03Å; F237-P243 HydrophobicContact CG-CG 4.33Å; F237-C244 HydrophobicContact CB-CB 3.6Å; F237-C244 HydrophobicContact CG-CB 4.5Å; F237-Y247 HydrophobicContact CD2-CD2 4.48Å; F237-Y247 HydrophobicContact CE1-CE2 4.41Å; F237-Y247 AromaticContact CE2-CD2 3.89Å; F237-Y247 HydrophobicContact CE2-CD2 3.89Å; F237-Y247 HydrophobicContact CE2-CE2 4.11Å; F237-Y247 HydrophobicContact CZ-CD2 4.05Å; F237-Y247 AromaticContact CZ-CE2 3.79Å; F237-Y247 HydrophobicContact CZ-CE2 3.79Å; F237-P290 HydrophobicContact CE2-CB 3.86Å; F237-P290 HydrophobicContact CZ-CB 4.23Å; F237-P290 WeakPolarHBondContact CZ-O 3.13Å; F237-H293 HydrophobicContact CZ-CB 4.28Å; F237-F294 HydrophobicContact CE1-CB 4.41Å; F237-F294 HydrophobicContact CZ-CB 4.03Å |
| 238 | Y | 94.8 | Very high | 97 | Very high | 50 Ų | 50 | 39.2 Ų | 39.2 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -40.6 | -174.6 | -172 | -82.4 | 0 | 0 | 0 | 113 | Y234 Y235 R371 | Y234-Y238 HydrophobicContact CE1-CD2 4.07Å; Y234-Y238 HydrophobicContact CE1-CE2 4.01Å; Y234-Y238 HydrophobicContact CE2-CD2 4.45Å; Y234-Y238 HydrophobicContact CE2-CE2 4.47Å; Y234-Y238 AromaticContact CZ-CE2 3.77Å; Y234-Y238 WeakPolarHBondContact O-CA 3.43Å; Y234-Y238 WeakPolarHBondContact O-CB 3.38Å; Y234-Y238 PolarHBondContact O-N 3.45Å; Y235-Y238 WeakPolarHBondContact O-CB 3.39Å; Y238-R371 VanDerWaalsContact CD1-CZ 3.42Å; Y238-R371 HydrophobicContact CD2-CG 4.19Å; Y238-R371 HydrophobicContact CE2-CG 3.92Å |
| 239 | C | 94.1 | Very high | 97 | Very high | 57 Ų | 57 | 42.8 Ų | 42.8 | 39% | 0.385 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -2.7 | 179 | -62.8 | 0 | 0 | 0 | 0 | 114 | F237 C378 | F237-C239 VanDerWaalsContact C-N 3.26Å; F237-C239 PolarHBondContact O-N 3.45Å; C239-C378 WeakPolarHBondContact CA-SG 3.47Å; C239-C378 HydrophobicContact CB-CB 3.63Å; C239-C378 WeakPolarHBondContact CB-SG 3.31Å; C239-C378 VanDerWaalsContact SG-CA 3.57Å; C239-C378 WeakPolarHBondContact SG-CB 3.31Å; C239-C378 CovalentContact SG-SG 2.04Å; C239-C378 PolarHBondContact SG-SG 3.27Å |
| 240 | N | 95.3 | Very high | 97 | Very high | 64 Ų | 64 | 45.1 Ų | 45.1 | 34% | 0.342 | 23% | 0.234 | S | C | . | . | trans | -131.6 | 80.8 | -177.4 | -163.6 | -8.9 | 0 | 0 | 0 | 110.7 | F237 Q242 P243 | F237-N240 CarbonylContact O-C 3.57Å; F237-N240 VanDerWaalsContact O-C 3.31Å; F237-N240 PolarHBondContact O-N 2.87Å; N240-Q242 VanDerWaalsContact C-N 3.31Å; N240-Q242 PolarHBondContact O-N 2.82Å; N240-P243 HydrophobicContact CB-CG 4.06Å; N240-P243 VanDerWaalsContact O-CD 3.25Å; N240-P243 WeakPolarHBondContact O-CD 3.08Å; N240-P243 WeakPolarHBondContact O-CG 3.33Å; N240-P243 WeakPolarHBondContact OD1-CD 3.31Å | ||
| 241 | P | 94.7 | Very high | 97 | Very high | 98 Ų | 98 | 44 Ų | 44 | 64% | 0.636 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -70.5 | -22.1 | -167.5 | 26.5 | -35.1 | 0 | 0 | 0 | 114.4 | C244 F245 | P241-C244 WeakPolarHBondContact O-CB 3.23Å; P241-F245 WeakPolarHBondContact O-CB 3.37Å; P241-F245 PolarHBondContact O-N 2.92Å |
| 242 | Q | 97.5 | Very high | 97 | Very high | 132 Ų | 132 | 46.3 Ų | 46.3 | 62% | 0.617 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -60 | -62.7 | 177.5 | -96.1 | -79 | -56.9 | 0 | 0 | 112.7 | N240 C244 F245 I246 | N240-Q242 VanDerWaalsContact C-N 3.31Å; N240-Q242 PolarHBondContact O-N 2.82Å; Q242-C244 VanDerWaalsContact C-N 3.28Å; Q242-C244 PolarHBondContact O-N 3.37Å; Q242-F245 PolarHBondContact O-N 3.46Å; Q242-I246 VanDerWaalsContact O-CG1 3.31Å; Q242-I246 WeakPolarHBondContact O-CG1 3.21Å; Q242-I246 PolarHBondContact O-N 2.99Å |
| 243 | P | 97.4 | Very high | 97 | Very high | 8 Ų | 8 | 50 Ų | 50 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -35 | 176.4 | 23.5 | -33.2 | 0 | 0 | 0 | 112.5 | F237 N240 F245 I246 Y247 | F237-P243 HydrophobicContact CD1-CB 3.95Å; F237-P243 HydrophobicContact CD1-CG 3.62Å; F237-P243 HydrophobicContact CE1-CB 3.99Å; F237-P243 HydrophobicContact CE1-CG 4.03Å; F237-P243 HydrophobicContact CG-CG 4.33Å; N240-P243 HydrophobicContact CB-CG 4.06Å; N240-P243 VanDerWaalsContact O-CD 3.25Å; N240-P243 WeakPolarHBondContact O-CD 3.08Å; N240-P243 WeakPolarHBondContact O-CG 3.33Å; N240-P243 WeakPolarHBondContact OD1-CD 3.31Å; P243-F245 PolarHBondContact O-N 2.89Å; P243-I246 PolarHBondContact O-N 3.25Å; P243-Y247 HydrophobicContact CB-CD2 4.14Å; P243-Y247 HydrophobicContact CB-CE2 3.89Å; P243-Y247 WeakPolarHBondContact O-CB 3.17Å; P243-Y247 WeakPolarHBondContact O-CD2 3.2Å; P243-Y247 PolarHBondContact O-N 3.02Å |
| 244 | C | 97.5 | Very high | 97.1 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 10% | 0.101 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -52.8 | -53.9 | 173.9 | -166.3 | 0 | 0 | 0 | 0 | 111.4 | F237 P241 Q242 Y247 L248 | F237-C244 HydrophobicContact CB-CB 3.6Å; F237-C244 HydrophobicContact CG-CB 4.5Å; P241-C244 WeakPolarHBondContact O-CB 3.23Å; Q242-C244 VanDerWaalsContact C-N 3.28Å; Q242-C244 PolarHBondContact O-N 3.37Å; C244-Y247 PolarHBondContact O-N 3.37Å; C244-L248 WeakPolarHBondContact O-CB 3.49Å; C244-L248 VanDerWaalsContact O-CG 3.24Å; C244-L248 WeakPolarHBondContact O-CG 3.34Å; C244-L248 PolarHBondContact O-N 3.38Å |
| 245 | F | 97.8 | Very high | 97.1 | Very high | 130 Ų | 130 | 52.5 Ų | 52.5 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.2 | -39.5 | -179.7 | -172 | -112.8 | 0 | 0 | 0 | 112.8 | P241 Q242 P243 L248 I249 | P241-F245 WeakPolarHBondContact O-CB 3.37Å; P241-F245 PolarHBondContact O-N 2.92Å; Q242-F245 PolarHBondContact O-N 3.46Å; P243-F245 PolarHBondContact O-N 2.89Å; F245-L248 PolarHBondContact O-N 2.99Å; F245-I249 HydrophobicContact CD1-CD1 3.86Å; F245-I249 HydrophobicContact CE1-CD1 3.46Å; F245-I249 VanDerWaalsContact CE1-CD1 3.46Å; F245-I249 HydrophobicContact CE1-CG1 4.47Å; F245-I249 HydrophobicContact CE2-CD1 4.47Å; F245-I249 HydrophobicContact CZ-CD1 3.81Å; F245-I249 HydrophobicContact CZ-CG1 4.48Å; F245-I249 WeakPolarHBondContact O-CG1 3.49Å; F245-I249 PolarHBondContact O-N 3.27Å |
| 246 | I | 98.4 | Very high | 97.3 | Very high | 82 Ų | 82 | 56.6 Ų | 56.6 | 42% | 0.421 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62 | -48 | 176.8 | -66.9 | 167.2 | 0 | 0 | 0 | 110.7 | Q242 P243 L248 I249 V250 | Q242-I246 VanDerWaalsContact O-CG1 3.31Å; Q242-I246 WeakPolarHBondContact O-CG1 3.21Å; Q242-I246 PolarHBondContact O-N 2.99Å; P243-I246 PolarHBondContact O-N 3.25Å; I246-L248 PolarHBondContact O-N 3.43Å; I246-I249 PolarHBondContact O-N 3.09Å; I246-V250 WeakPolarHBondContact O-CG2 3.31Å; I246-V250 PolarHBondContact O-N 3.2Å |
| 247 | Y | 98.5 | Very high | 97.5 | Very high | 39 Ų | 39 | 58.7 Ų | 58.7 | 15% | 0.153 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.8 | -32.8 | 179.8 | -68.3 | -53.6 | 0 | 0 | 0 | 112.9 | L233 F237 P243 C244 V250 I251 I289 P290 H293 | L233-Y247 HydrophobicContact CD2-CD2 4.47Å; F237-Y247 HydrophobicContact CD2-CD2 4.48Å; F237-Y247 HydrophobicContact CE1-CE2 4.41Å; F237-Y247 AromaticContact CE2-CD2 3.89Å; F237-Y247 HydrophobicContact CE2-CD2 3.89Å; F237-Y247 HydrophobicContact CE2-CE2 4.11Å; F237-Y247 HydrophobicContact CZ-CD2 4.05Å; F237-Y247 AromaticContact CZ-CE2 3.79Å; F237-Y247 HydrophobicContact CZ-CE2 3.79Å; P243-Y247 HydrophobicContact CB-CD2 4.14Å; P243-Y247 HydrophobicContact CB-CE2 3.89Å; P243-Y247 WeakPolarHBondContact O-CB 3.17Å; P243-Y247 WeakPolarHBondContact O-CD2 3.2Å; P243-Y247 PolarHBondContact O-N 3.02Å; C244-Y247 PolarHBondContact O-N 3.37Å; Y247-V250 PolarHBondContact O-N 3.5Å; Y247-I251 WeakPolarHBondContact O-CG2 3.46Å; Y247-I251 PolarHBondContact O-N 2.9Å; Y247-I289 HydrophobicContact CE1-CG2 3.97Å; Y247-P290 HydrophobicContact CD1-CB 4.12Å; Y247-P290 HydrophobicContact CD1-CG 4.2Å; Y247-P290 HydrophobicContact CD2-CB 3.7Å; Y247-P290 HydrophobicContact CE1-CB 4.27Å; Y247-P290 HydrophobicContact CE2-CB 3.84Å; Y247-P290 HydrophobicContact CG-CB 3.86Å; Y247-P290 HydrophobicContact CG-CG 4.25Å; Y247-H293 HydrophobicContact CE2-CB 4.33Å; Y247-H293 AromaticContact CE2-ND1 3.53Å; Y247-H293 AromaticContact CZ-ND1 3.63Å; Y247-H293 WeakPolarHBondContact OH-CB 3.48Å; Y247-H293 PolarHBondContact OH-ND1 3.31Å |
| 248 | L | 98.4 | Very high | 97.6 | Very high | 43 Ų | 43 | 58.7 Ų | 58.7 | 23% | 0.225 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 170.9 | -73.1 | 168.1 | 0 | 0 | 0 | 112.3 | V230 L233 C244 F245 I246 I251 C252 | V230-L248 HydrophobicContact CB-CD2 4.36Å; V230-L248 HydrophobicContact CG1-CD2 4.33Å; V230-L248 HydrophobicContact CG2-CD2 4.12Å; L233-L248 HydrophobicContact CD1-CD2 3.93Å; L233-L248 HydrophobicContact CD1-CG 4.01Å; C244-L248 WeakPolarHBondContact O-CB 3.49Å; C244-L248 VanDerWaalsContact O-CG 3.24Å; C244-L248 WeakPolarHBondContact O-CG 3.34Å; C244-L248 PolarHBondContact O-N 3.38Å; F245-L248 PolarHBondContact O-N 2.99Å; I246-L248 PolarHBondContact O-N 3.43Å; L248-I251 WeakPolarHBondContact O-CG2 3.45Å; L248-C252 WeakPolarHBondContact O-CB 3.25Å; L248-C252 PolarHBondContact O-N 2.89Å; L248-C252 PolarHBondContact O-SG 3.03Å |
| 249 | I | 98.6 | Very high | 97.8 | Very high | 84 Ų | 84 | 58.2 Ų | 58.2 | 43% | 0.431 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 172.5 | -72.1 | 170.9 | 0 | 0 | 0 | 110.6 | F245 I246 I251 C252 V253 | F245-I249 HydrophobicContact CD1-CD1 3.86Å; F245-I249 HydrophobicContact CE1-CD1 3.46Å; F245-I249 VanDerWaalsContact CE1-CD1 3.46Å; F245-I249 HydrophobicContact CE1-CG1 4.47Å; F245-I249 HydrophobicContact CE2-CD1 4.47Å; F245-I249 HydrophobicContact CZ-CD1 3.81Å; F245-I249 HydrophobicContact CZ-CG1 4.48Å; F245-I249 WeakPolarHBondContact O-CG1 3.49Å; F245-I249 PolarHBondContact O-N 3.27Å; I246-I249 PolarHBondContact O-N 3.09Å; I249-I251 PolarHBondContact O-N 3.25Å; I249-C252 PolarHBondContact O-N 3.05Å; I249-V253 HydrophobicContact CG2-CG2 4.28Å; I249-V253 WeakPolarHBondContact O-CG2 3.48Å; I249-V253 PolarHBondContact O-N 3.18Å |
| 250 | V | 98.5 | Very high | 98 | Very high | 67 Ų | 67 | 60.8 Ų | 60.8 | 41% | 0.406 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.8 | -47.8 | -177.4 | 169.9 | 0 | 0 | 0 | 0 | 111.7 | I246 Y247 C252 V253 L254 | I246-V250 WeakPolarHBondContact O-CG2 3.31Å; I246-V250 PolarHBondContact O-N 3.2Å; Y247-V250 PolarHBondContact O-N 3.5Å; V250-C252 VanDerWaalsContact C-N 3.32Å; V250-C252 PolarHBondContact O-N 3.4Å; V250-V253 PolarHBondContact O-N 2.81Å; V250-L254 HydrophobicContact CG1-CD1 3.8Å; V250-L254 HydrophobicContact CG1-CG 4.36Å; V250-L254 WeakPolarHBondContact O-CB 3.33Å; V250-L254 VanDerWaalsContact O-CG 3.31Å; V250-L254 WeakPolarHBondContact O-CG 3.12Å; V250-L254 PolarHBondContact O-N 2.73Å |
| 251 | I | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.8 | -34.1 | 179.1 | -165.9 | 64.2 | 0 | 0 | 0 | 112.1 | I225 F229 Y247 L248 I249 G255 L283 | I225-I251 HydrophobicContact CG2-CD1 4.32Å; F229-I251 HydrophobicContact CB-CB 4.47Å; F229-I251 HydrophobicContact CB-CG1 4.12Å; F229-I251 HydrophobicContact CB-CG2 4Å; F229-I251 HydrophobicContact CD1-CB 3.89Å; F229-I251 HydrophobicContact CD1-CD1 3.93Å; F229-I251 HydrophobicContact CD1-CG1 3.67Å; F229-I251 HydrophobicContact CD1-CG2 4.21Å; F229-I251 HydrophobicContact CD2-CD1 4.33Å; F229-I251 HydrophobicContact CD2-CG1 4.18Å; F229-I251 HydrophobicContact CE1-CB 4.38Å; F229-I251 HydrophobicContact CE1-CD1 3.73Å; F229-I251 HydrophobicContact CE1-CG1 4.03Å; F229-I251 HydrophobicContact CE2-CD1 4.16Å; F229-I251 HydrophobicContact CG-CB 4.31Å; F229-I251 HydrophobicContact CG-CD1 4.22Å; F229-I251 HydrophobicContact CG-CG1 3.74Å; F229-I251 HydrophobicContact CG-CG2 4.37Å; F229-I251 HydrophobicContact CZ-CD1 3.85Å; F229-I251 HydrophobicContact CZ-CG1 4.43Å; Y247-I251 WeakPolarHBondContact O-CG2 3.46Å; Y247-I251 PolarHBondContact O-N 2.9Å; L248-I251 WeakPolarHBondContact O-CG2 3.45Å; I249-I251 PolarHBondContact O-N 3.25Å; I251-G255 PolarHBondContact O-N 3.38Å; I251-L283 HydrophobicContact CD1-CD1 3.77Å; I251-L283 HydrophobicContact CD1-CG 4.28Å |
| 252 | C | 98.5 | Very high | 98.2 | Very high | 49 Ų | 49 | 56 Ų | 56 | 33% | 0.331 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 173.8 | -77.1 | 0 | 0 | 0 | 0 | 112.4 | M226 L248 I249 V250 G255 I256 | M226-C252 HydrophobicContact CE-CB 4.49Å; L248-C252 WeakPolarHBondContact O-CB 3.25Å; L248-C252 PolarHBondContact O-N 2.89Å; L248-C252 PolarHBondContact O-SG 3.03Å; I249-C252 PolarHBondContact O-N 3.05Å; V250-C252 VanDerWaalsContact C-N 3.32Å; V250-C252 PolarHBondContact O-N 3.4Å; C252-G255 PolarHBondContact O-N 3.42Å; C252-I256 VanDerWaalsContact O-CB 3.31Å; C252-I256 WeakPolarHBondContact O-CB 3.44Å; C252-I256 WeakPolarHBondContact O-CD1 3.22Å; C252-I256 WeakPolarHBondContact O-CG1 3.17Å; C252-I256 PolarHBondContact O-N 3.5Å |
| 253 | V | 98.6 | Very high | 98.1 | Very high | 93 Ų | 93 | 53.6 Ų | 53.6 | 56% | 0.564 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.5 | -45.8 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | I249 V250 A257 | I249-V253 HydrophobicContact CG2-CG2 4.28Å; I249-V253 WeakPolarHBondContact O-CG2 3.48Å; I249-V253 PolarHBondContact O-N 3.18Å; V250-V253 PolarHBondContact O-N 2.81Å; V253-A257 WeakPolarHBondContact O-CB 3.28Å; V253-A257 PolarHBondContact O-N 3.34Å |
| 254 | L | 98.6 | Very high | 98 | Very high | 75 Ų | 75 | 59.8 Ų | 59.8 | 39% | 0.393 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 177.4 | -67.4 | 173.6 | 0 | 0 | 0 | 112.1 | V250 A257 A258 L283 | V250-L254 HydrophobicContact CG1-CD1 3.8Å; V250-L254 HydrophobicContact CG1-CG 4.36Å; V250-L254 WeakPolarHBondContact O-CB 3.33Å; V250-L254 VanDerWaalsContact O-CG 3.31Å; V250-L254 WeakPolarHBondContact O-CG 3.12Å; V250-L254 PolarHBondContact O-N 2.73Å; L254-A257 PolarHBondContact O-N 3.47Å; L254-A258 WeakPolarHBondContact O-CB 3.29Å; L254-A258 PolarHBondContact O-N 2.89Å; L254-L283 HydrophobicContact CB-CD1 3.49Å; L254-L283 VanDerWaalsContact CB-CD1 3.49Å |
| 255 | G | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.1 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I251 C252 A257 A258 I259 | I251-G255 PolarHBondContact O-N 3.38Å; C252-G255 PolarHBondContact O-N 3.42Å; G255-A257 VanDerWaalsContact C-N 3.33Å; G255-A257 PolarHBondContact O-N 2.84Å; G255-A258 PolarHBondContact O-N 2.91Å; G255-I259 WeakPolarHBondContact O-CG1 3.4Å; G255-I259 PolarHBondContact O-N 3.15Å |
| 256 | I | 98.6 | Very high | 97.5 | Very high | 92 Ų | 92 | 59.9 Ų | 59.9 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 172.5 | -71.6 | 165.3 | 0 | 0 | 0 | 110.8 | C252 I259 I260 | C252-I256 VanDerWaalsContact O-CB 3.31Å; C252-I256 WeakPolarHBondContact O-CB 3.44Å; C252-I256 WeakPolarHBondContact O-CD1 3.22Å; C252-I256 WeakPolarHBondContact O-CG1 3.17Å; C252-I256 PolarHBondContact O-N 3.5Å; I256-I259 PolarHBondContact O-N 3.3Å; I256-I260 HydrophobicContact CG2-CD1 3.85Å; I256-I260 WeakPolarHBondContact O-CG1 3.46Å; I256-I260 PolarHBondContact O-N 3.34Å |
| 257 | A | 98.5 | Very high | 97.3 | Very high | 47 Ų | 47 | 56 Ų | 56 | 39% | 0.388 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V253 L254 G255 I260 V261 | V253-A257 WeakPolarHBondContact O-CB 3.28Å; V253-A257 PolarHBondContact O-N 3.34Å; L254-A257 PolarHBondContact O-N 3.47Å; G255-A257 VanDerWaalsContact C-N 3.33Å; G255-A257 PolarHBondContact O-N 2.84Å; A257-I260 PolarHBondContact O-N 3.15Å; A257-V261 WeakPolarHBondContact O-CG2 3.37Å; A257-V261 PolarHBondContact O-N 2.9Å |
| 258 | A | 98.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 5% | 0.05 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A222 L254 G255 S262 V279 F280 L283 | A222-A258 HydrophobicContact CB-CB 4.35Å; L254-A258 WeakPolarHBondContact O-CB 3.29Å; L254-A258 PolarHBondContact O-N 2.89Å; G255-A258 PolarHBondContact O-N 2.91Å; A258-S262 WeakPolarHBondContact O-CB 3.25Å; A258-S262 PolarHBondContact O-N 3.2Å; A258-S262 PolarHBondContact O-OG 3.31Å; A258-V279 HydrophobicContact CB-CG1 3.99Å; A258-F280 HydrophobicContact CB-CE1 4.4Å; A258-L283 HydrophobicContact CB-CD2 4.08Å |
| 259 | I | 98.4 | Very high | 96.6 | Very high | 39 Ų | 39 | 55.2 Ų | 55.2 | 20% | 0.2 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 173 | -69.6 | 166.3 | 0 | 0 | 0 | 110.6 | A222 L223 M226 G255 I256 S262 Q263 | A222-I259 HydrophobicContact CB-CD1 4.15Å; A222-I259 HydrophobicContact CB-CG1 3.65Å; L223-I259 HydrophobicContact CD2-CD1 4.17Å; L223-I259 HydrophobicContact CG-CD1 4.32Å; M226-I259 HydrophobicContact SD-CD1 4.33Å; G255-I259 WeakPolarHBondContact O-CG1 3.4Å; G255-I259 PolarHBondContact O-N 3.15Å; I256-I259 PolarHBondContact O-N 3.3Å; I259-S262 WeakPolarHBondContact O-CB 3.49Å; I259-S262 PolarHBondContact O-N 3.39Å; I259-Q263 WeakPolarHBondContact O-CG 3.3Å; I259-Q263 PolarHBondContact O-N 2.95Å; I259-Q263 PolarHBondContact O-NE2 3.45Å |
| 260 | I | 98.2 | Very high | 96.2 | Very high | 111 Ų | 111 | 53.5 Ų | 53.5 | 57% | 0.569 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.6 | -47.4 | 177.3 | -71.5 | 161 | 0 | 0 | 0 | 111 | I256 A257 S262 Q263 | I256-I260 HydrophobicContact CG2-CD1 3.85Å; I256-I260 WeakPolarHBondContact O-CG1 3.46Å; I256-I260 PolarHBondContact O-N 3.34Å; A257-I260 PolarHBondContact O-N 3.15Å; I260-S262 PolarHBondContact O-N 2.79Å; I260-Q263 WeakPolarHBondContact O-CB 3.44Å; I260-Q263 PolarHBondContact O-N 2.91Å |
| 261 | V | 97.8 | Very high | 95.9 | Very high | 60 Ų | 60 | 57.4 Ų | 57.4 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.4 | -37.7 | 174.6 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | A257 Q263 W264 F267 | A257-V261 WeakPolarHBondContact O-CG2 3.37Å; A257-V261 PolarHBondContact O-N 2.9Å; V261-Q263 PolarHBondContact O-N 3.26Å; V261-W264 WeakPolarHBondContact O-CB 3.3Å; V261-W264 PolarHBondContact O-N 3.4Å; V261-W264 VanDerWaalsContact O-N 3.13Å; V261-F267 HydrophobicContact CG1-CD2 3.67Å; V261-F267 HydrophobicContact CG1-CE2 3.67Å; V261-F267 HydrophobicContact CG1-CG 4.28Å; V261-F267 HydrophobicContact CG1-CZ 4.25Å |
| 262 | S | 96.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.014 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.1 | -16.8 | 176.7 | -59.6 | 0 | 0 | 0 | 0 | 114.2 | A258 I259 I260 W264 | A258-S262 WeakPolarHBondContact O-CB 3.25Å; A258-S262 PolarHBondContact O-N 3.2Å; A258-S262 PolarHBondContact O-OG 3.31Å; I259-S262 WeakPolarHBondContact O-CB 3.49Å; I259-S262 PolarHBondContact O-N 3.39Å; I260-S262 PolarHBondContact O-N 2.79Å; S262-W264 VanDerWaalsContact C-N 3.35Å |
| 263 | Q | 95.8 | Very high | 95.5 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 38% | 0.379 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -14.9 | 175.4 | -51.4 | -44.6 | -59 | 0 | 0 | 113.4 | K215 S219 I259 I260 V261 | K215-Q263 VanDerWaalsContact CE-O 3.29Å; K215-Q263 WeakPolarHBondContact CE-O 3.31Å; K215-Q263 PolarHBondContact NZ-O 3.07Å; S219-Q263 PolarHBondContact OG-NE2 3.39Å; S219-Q263 VanDerWaalsContact OG-NE2 3.13Å; I259-Q263 WeakPolarHBondContact O-CG 3.3Å; I259-Q263 PolarHBondContact O-N 2.95Å; I259-Q263 PolarHBondContact O-NE2 3.45Å; I260-Q263 WeakPolarHBondContact O-CB 3.44Å; I260-Q263 PolarHBondContact O-N 2.91Å; V261-Q263 PolarHBondContact O-N 3.26Å |
| 264 | W | 95.6 | Very high | 95.2 | Very high | 138 Ų | 138 | 57.1 Ų | 57.1 | 52% | 0.523 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -75.5 | 123 | -178.5 | -176.7 | 39 | 0 | 0 | 0 | 110.9 | V261 S262 M266 F267 Y272 | V261-W264 WeakPolarHBondContact O-CB 3.3Å; V261-W264 PolarHBondContact O-N 3.4Å; V261-W264 VanDerWaalsContact O-N 3.13Å; S262-W264 VanDerWaalsContact C-N 3.35Å; W264-M266 HydrophobicContact CD2-CB 3.84Å; W264-M266 HydrophobicContact CD2-CG 4.38Å; W264-M266 HydrophobicContact CE3-CB 4.11Å; W264-M266 HydrophobicContact CG-CB 4.47Å; W264-M266 HydrophobicContact CH2-CB 3.93Å; W264-M266 HydrophobicContact CH2-CG 4.35Å; W264-M266 HydrophobicContact CZ2-CB 3.63Å; W264-M266 HydrophobicContact CZ2-CG 3.64Å; W264-M266 HydrophobicContact CZ3-CB 4.16Å; W264-M266 PolarHBondContact O-N 3.44Å; W264-M266 VanDerWaalsContact O-N 3.15Å; W264-F267 HydrophobicContact CE3-CB 4.47Å; W264-F267 WeakPolarHBondContact O-CB 3.4Å; W264-F267 PolarHBondContact O-N 2.86Å; W264-Y272 HydrophobicContact CH2-CE1 4.24Å; W264-Y272 HydrophobicContact CZ3-CE1 4.02Å |
| 265 | D | 92.3 | Very high | 95.2 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -60.9 | -29.7 | -172.9 | -64.7 | -75.5 | 0 | 0 | 0 | 114 | R211 K215 F267 A268 | R211-D265 IonicContact CZ-OD1 2.78Å; R211-D265 IonicContact NE-OD1 2.65Å; R211-D265 PolarHBondContact NE-OD1 3.24Å; R211-D265 IonicContact NH2-OD1 3.41Å; R211-D265 PolarHBondContact NH2-OD1 2.88Å; R211-D265 IonicContact NH2-OD2 3.12Å; R211-D265 PolarHBondContact NH2-OD2 3.4Å; K215-D265 VanDerWaalsContact CE-OD1 3.3Å; K215-D265 WeakPolarHBondContact CE-OD1 2.99Å; K215-D265 VanDerWaalsContact NZ-CG 3.32Å; K215-D265 IonicContact NZ-OD1 3.81Å; K215-D265 PolarHBondContact NZ-OD1 3.17Å; K215-D265 IonicContact NZ-OD2 3.63Å; K215-D265 PolarHBondContact NZ-OD2 3.14Å; D265-F267 VanDerWaalsContact C-N 3.27Å; D265-F267 PolarHBondContact O-N 3.39Å; D265-A268 PolarHBondContact O-N 3.47Å |
| 266 | M | 92.6 | Very high | 95.1 | Very high | 86 Ų | 86 | 57 Ų | 57 | 42% | 0.424 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -65.2 | -30.1 | 174.8 | -62.1 | -59 | -60.8 | 0 | 0 | 112.7 | W264 A268 T269 Y272 | W264-M266 HydrophobicContact CD2-CB 3.84Å; W264-M266 HydrophobicContact CD2-CG 4.38Å; W264-M266 HydrophobicContact CE3-CB 4.11Å; W264-M266 HydrophobicContact CG-CB 4.47Å; W264-M266 HydrophobicContact CH2-CB 3.93Å; W264-M266 HydrophobicContact CH2-CG 4.35Å; W264-M266 HydrophobicContact CZ2-CB 3.63Å; W264-M266 HydrophobicContact CZ2-CG 3.64Å; W264-M266 HydrophobicContact CZ3-CB 4.16Å; W264-M266 PolarHBondContact O-N 3.44Å; W264-M266 VanDerWaalsContact O-N 3.15Å; M266-A268 PolarHBondContact O-N 3Å; M266-T269 PolarHBondContact O-N 2.97Å; M266-T269 VanDerWaalsContact O-N 3.14Å; M266-T269 PolarHBondContact O-OG1 2.9Å; M266-Y272 HydrophobicContact CB-CE2 4.2Å; M266-Y272 HydrophobicContact CE-CE2 4Å; M266-Y272 WeakPolarHBondContact O-CD2 3.26Å |
| 267 | F | 93.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -61.9 | -27.3 | 179.3 | -172.2 | -108 | 0 | 0 | 0 | 111.9 | Y218 V261 W264 D265 V275 R276 V279 F280 | Y218-F267 AromaticContact CD2-CD1 3.79Å; Y218-F267 HydrophobicContact CD2-CD1 3.79Å; Y218-F267 AromaticContact CD2-CE1 3.97Å; Y218-F267 HydrophobicContact CD2-CE1 3.97Å; Y218-F267 HydrophobicContact CE2-CD1 4.11Å; Y218-F267 HydrophobicContact CG-CE1 4.27Å; V261-F267 HydrophobicContact CG1-CD2 3.67Å; V261-F267 HydrophobicContact CG1-CE2 3.67Å; V261-F267 HydrophobicContact CG1-CG 4.28Å; V261-F267 HydrophobicContact CG1-CZ 4.25Å; W264-F267 HydrophobicContact CE3-CB 4.47Å; W264-F267 WeakPolarHBondContact O-CB 3.4Å; W264-F267 PolarHBondContact O-N 2.86Å; D265-F267 VanDerWaalsContact C-N 3.27Å; D265-F267 PolarHBondContact O-N 3.39Å; F267-V275 HydrophobicContact CE2-CG1 4.46Å; F267-R276 HydrophobicContact CD1-CG 3.94Å; F267-R276 HydrophobicContact CD2-CG 4.11Å; F267-R276 HydrophobicContact CE1-CB 4.39Å; F267-R276 HydrophobicContact CE1-CG 3.72Å; F267-R276 HydrophobicContact CE2-CB 4.36Å; F267-R276 HydrophobicContact CE2-CG 3.86Å; F267-R276 HydrophobicContact CG-CG 4.17Å; F267-R276 HydrophobicContact CZ-CB 4.04Å; F267-R276 HydrophobicContact CZ-CG 3.69Å; F267-R276 VanDerWaalsContact O-CD 3.22Å; F267-R276 WeakPolarHBondContact O-CD 3.4Å; F267-R276 VanDerWaalsContact O-CG 3.31Å; F267-R276 WeakPolarHBondContact O-CG 3.44Å; F267-R276 PolarHBondContact O-NH1 3.21Å; F267-V279 HydrophobicContact CE2-CB 4.42Å; F267-V279 HydrophobicContact CE2-CG2 4.16Å; F267-V279 HydrophobicContact CZ-CB 4.39Å; F267-V279 HydrophobicContact CZ-CG1 4.45Å; F267-F280 AromaticContact CE1-CE2 4Å; F267-F280 HydrophobicContact CE1-CE2 4Å; F267-F280 HydrophobicContact CE1-CZ 4.15Å; F267-F280 AromaticContact CZ-CE2 3.94Å; F267-F280 HydrophobicContact CZ-CE2 3.94Å; F267-F280 HydrophobicContact CZ-CZ 4.22Å |
| 268 | A | 91.3 | Very high | 94.8 | Very high | 27 Ų | 27 | 53.2 Ų | 53.2 | 22% | 0.223 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -78.9 | -18.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y218 D265 M266 R276 | Y218-A268 HydrophobicContact CE2-CB 3.99Å; D265-A268 PolarHBondContact O-N 3.47Å; M266-A268 PolarHBondContact O-N 3Å; A268-R276 PolarHBondContact O-NH1 2.96Å; A268-R276 VanDerWaalsContact O-NH1 3.15Å |
| 269 | T | 90.6 | Very high | 94.8 | Very high | 38 Ų | 38 | 55 Ų | 55 | 23% | 0.233 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -73.9 | 157.4 | -172.2 | 80.3 | 0 | 0 | 0 | 0 | 112.4 | M266 Q271 Y272 R276 | M266-T269 PolarHBondContact O-N 2.97Å; M266-T269 VanDerWaalsContact O-N 3.14Å; M266-T269 PolarHBondContact O-OG1 2.9Å; T269-Q271 PolarHBondContact O-N 3Å; T269-Q271 VanDerWaalsContact O-N 3.17Å; T269-Q271 PolarHBondContact OG1-OE1 2.92Å; T269-Y272 PolarHBondContact O-N 2.96Å; T269-R276 PolarHBondContact O-NH1 3.05Å |
| 270 | P | 90.3 | Very high | 94.8 | Very high | 48 Ų | 48 | 54 Ų | 54 | 31% | 0.312 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -60.9 | -29.6 | -174.1 | -27 | 37.1 | 0 | 0 | 0 | 114.2 | K114 Y272 R273 | K114-P270 WeakPolarHBondContact O-CG 3.2Å; P270-Y272 VanDerWaalsContact C-N 3.28Å; P270-Y272 PolarHBondContact O-N 2.74Å; P270-R273 VanDerWaalsContact O-CB 3.29Å; P270-R273 WeakPolarHBondContact O-CB 3.28Å; P270-R273 PolarHBondContact O-N 3.16Å |
| 271 | Q | 92.2 | Very high | 94.8 | Very high | 148 Ų | 148 | 50.8 Ų | 50.8 | 69% | 0.692 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -63.8 | -33.1 | 178 | -57.2 | 80.9 | 4 | 0 | 0 | 111.9 | T269 R273 | T269-Q271 PolarHBondContact O-N 3Å; T269-Q271 VanDerWaalsContact O-N 3.17Å; T269-Q271 PolarHBondContact OG1-OE1 2.92Å; Q271-R273 VanDerWaalsContact C-N 3.33Å; Q271-R273 PolarHBondContact O-N 3.32Å |
| 272 | Y | 95.5 | Very high | 94.8 | Very high | 74 Ų | 74 | 49.9 Ų | 49.9 | 29% | 0.29 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -86.5 | 4.2 | 179.9 | -77.2 | -96.2 | 0 | 0 | 0 | 113.7 | W264 M266 T269 P270 G274 V275 R276 | W264-Y272 HydrophobicContact CH2-CE1 4.24Å; W264-Y272 HydrophobicContact CZ3-CE1 4.02Å; M266-Y272 HydrophobicContact CB-CE2 4.2Å; M266-Y272 HydrophobicContact CE-CE2 4Å; M266-Y272 WeakPolarHBondContact O-CD2 3.26Å; T269-Y272 PolarHBondContact O-N 2.96Å; P270-Y272 VanDerWaalsContact C-N 3.28Å; P270-Y272 PolarHBondContact O-N 2.74Å; Y272-G274 VanDerWaalsContact C-N 3.28Å; Y272-G274 PolarHBondContact O-N 3.23Å; Y272-V275 HydrophobicContact CD1-CB 4Å; Y272-V275 HydrophobicContact CD1-CG1 4.3Å; Y272-V275 HydrophobicContact CD1-CG2 3.82Å; Y272-V275 HydrophobicContact CE1-CG2 4.46Å; Y272-V275 CarbonylContact O-C 3.56Å; Y272-V275 WeakPolarHBondContact O-CA 3.32Å; Y272-V275 WeakPolarHBondContact O-CB 3.37Å; Y272-V275 PolarHBondContact O-N 3.37Å; Y272-R276 PolarHBondContact O-N 2.91Å |
| 273 | R | 93.8 | Very high | 94.9 | Very high | 15 Ų | 15 | 50.2 Ų | 50.2 | 6% | 0.057 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -51.9 | -42.5 | 178.8 | -177.8 | -177.3 | -79.9 | 109.8 | -16.5 | 113.2 | D115 P270 Q271 V275 R276 A277 Y326 | D115-R273 PolarHBondContact O-NH1 2.91Å; D115-R273 PolarHBondContact O-NH2 3.44Å; D115-R273 IonicContact OD1-CZ 3.63Å; D115-R273 IonicContact OD1-NH2 3.67Å; D115-R273 PolarHBondContact OD1-NH2 2.86Å; D115-R273 VanDerWaalsContact OD1-NH2 3.12Å; D115-R273 IonicContact OD2-CZ 2.69Å; D115-R273 IonicContact OD2-NH2 3.59Å; D115-R273 PolarHBondContact OD2-NH2 2.67Å; P270-R273 VanDerWaalsContact O-CB 3.29Å; P270-R273 WeakPolarHBondContact O-CB 3.28Å; P270-R273 PolarHBondContact O-N 3.16Å; Q271-R273 VanDerWaalsContact C-N 3.33Å; Q271-R273 PolarHBondContact O-N 3.32Å; R273-V275 VanDerWaalsContact C-N 3.35Å; R273-R276 PolarHBondContact O-N 3.33Å; R273-A277 PolarHBondContact O-N 2.96Å; R273-A277 VanDerWaalsContact O-N 3.07Å; R273-Y326 HydrophobicContact CG-CD1 4.19Å; R273-Y326 HydrophobicContact CG-CE1 3.57Å |
| 274 | G | 93.4 | Very high | 94.9 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 51% | 0.505 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.3 | -33 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y272 G278 | Y272-G274 VanDerWaalsContact C-N 3.28Å; Y272-G274 PolarHBondContact O-N 3.23Å; G274-G278 PolarHBondContact O-N 3.1Å |
| 275 | V | 96.8 | Very high | 94.9 | Very high | 71 Ų | 71 | 43.5 Ų | 43.5 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.8 | -42.5 | 175 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | F267 Y272 R273 A277 G278 V279 | F267-V275 HydrophobicContact CE2-CG1 4.46Å; Y272-V275 HydrophobicContact CD1-CB 4Å; Y272-V275 HydrophobicContact CD1-CG1 4.3Å; Y272-V275 HydrophobicContact CD1-CG2 3.82Å; Y272-V275 HydrophobicContact CE1-CG2 4.46Å; Y272-V275 CarbonylContact O-C 3.56Å; Y272-V275 WeakPolarHBondContact O-CA 3.32Å; Y272-V275 WeakPolarHBondContact O-CB 3.37Å; Y272-V275 PolarHBondContact O-N 3.37Å; R273-V275 VanDerWaalsContact C-N 3.35Å; V275-A277 PolarHBondContact O-N 3.23Å; V275-G278 PolarHBondContact O-N 3.09Å; V275-V279 HydrophobicContact CG1-CG2 4.39Å; V275-V279 WeakPolarHBondContact O-CG2 3.34Å; V275-V279 PolarHBondContact O-N 2.92Å |
| 276 | R | 96.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.011 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55.4 | -51.2 | 172.6 | -63.8 | -162.8 | -72.2 | -88.9 | 14.8 | 111.2 | D115 Y218 F267 A268 T269 Y272 R273 G278 V279 F280 Y326 | D115-R276 IonicContact OD1-NH2 2.79Å; Y218-R276 VanDerWaalsContact CZ-CD 3.43Å; Y218-R276 PolarHBondContact OH-NE 3.48Å; F267-R276 HydrophobicContact CD1-CG 3.94Å; F267-R276 HydrophobicContact CD2-CG 4.11Å; F267-R276 HydrophobicContact CE1-CB 4.39Å; F267-R276 HydrophobicContact CE1-CG 3.72Å; F267-R276 HydrophobicContact CE2-CB 4.36Å; F267-R276 HydrophobicContact CE2-CG 3.86Å; F267-R276 HydrophobicContact CG-CG 4.17Å; F267-R276 HydrophobicContact CZ-CB 4.04Å; F267-R276 HydrophobicContact CZ-CG 3.69Å; F267-R276 VanDerWaalsContact O-CD 3.22Å; F267-R276 WeakPolarHBondContact O-CD 3.4Å; F267-R276 VanDerWaalsContact O-CG 3.31Å; F267-R276 WeakPolarHBondContact O-CG 3.44Å; F267-R276 PolarHBondContact O-NH1 3.21Å; A268-R276 PolarHBondContact O-NH1 2.96Å; A268-R276 VanDerWaalsContact O-NH1 3.15Å; T269-R276 PolarHBondContact O-NH1 3.05Å; Y272-R276 PolarHBondContact O-N 2.91Å; R273-R276 PolarHBondContact O-N 3.33Å; R276-G278 PolarHBondContact O-N 3.42Å; R276-V279 PolarHBondContact O-N 2.95Å; R276-F280 WeakPolarHBondContact O-CD2 3.37Å; R276-F280 PolarHBondContact O-N 2.97Å; R276-F280 VanDerWaalsContact O-N 3.15Å; R276-Y326 PolarHBondContact NE-OH 3.01Å; R276-Y326 PolarHBondContact NH2-OH 3.39Å |
| 277 | A | 95.1 | Very high | 95.3 | Very high | 13 Ų | 13 | 38.2 Ų | 38.2 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.6 | -46.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | R273 V275 V279 L281 Y326 A327 | R273-A277 PolarHBondContact O-N 2.96Å; R273-A277 VanDerWaalsContact O-N 3.07Å; V275-A277 PolarHBondContact O-N 3.23Å; A277-V279 PolarHBondContact O-N 2.89Å; A277-L281 WeakPolarHBondContact O-CB 3.34Å; A277-L281 PolarHBondContact O-N 2.86Å; A277-Y326 HydrophobicContact CB-CD1 4.19Å; A277-Y326 HydrophobicContact CB-CE1 4.5Å; A277-A327 HydrophobicContact CB-CB 3.9Å |
| 278 | G | 97.3 | Very high | 95.4 | Very high | 46 Ų | 46 | 41.7 Ų | 41.7 | 47% | 0.474 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G274 V275 R276 G282 | G274-G278 PolarHBondContact O-N 3.1Å; V275-G278 PolarHBondContact O-N 3.09Å; R276-G278 PolarHBondContact O-N 3.42Å; G278-G282 PolarHBondContact O-N 3.2Å |
| 279 | V | 98.1 | Very high | 95.6 | Very high | 44 Ų | 44 | 45.4 Ų | 45.4 | 27% | 0.267 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.5 | -51.4 | 178.1 | 167.4 | 0 | 0 | 0 | 0 | 111.3 | A258 F267 V275 R276 A277 G282 L283 | A258-V279 HydrophobicContact CB-CG1 3.99Å; F267-V279 HydrophobicContact CE2-CB 4.42Å; F267-V279 HydrophobicContact CE2-CG2 4.16Å; F267-V279 HydrophobicContact CZ-CB 4.39Å; F267-V279 HydrophobicContact CZ-CG1 4.45Å; V275-V279 HydrophobicContact CG1-CG2 4.39Å; V275-V279 WeakPolarHBondContact O-CG2 3.34Å; V275-V279 PolarHBondContact O-N 2.92Å; R276-V279 PolarHBondContact O-N 2.95Å; A277-V279 PolarHBondContact O-N 2.89Å; V279-G282 PolarHBondContact O-N 2.98Å; V279-L283 WeakPolarHBondContact O-CB 3.29Å; V279-L283 PolarHBondContact O-N 3.37Å |
| 280 | F | 97.9 | Very high | 95.9 | Very high | 18 Ų | 18 | 43.8 Ų | 43.8 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.7 | -35.1 | -177.5 | -63.3 | -59.9 | 0 | 0 | 0 | 113.2 | Y218 I221 A222 I225 A258 F267 R276 L283 G284 | Y218-F280 WeakPolarHBondContact O-CE1 3.41Å; Y218-F280 VanDerWaalsContact O-CZ 3.25Å; Y218-F280 WeakPolarHBondContact O-CZ 3.36Å; I221-F280 HydrophobicContact CB-CD1 4Å; I221-F280 HydrophobicContact CB-CE1 4.05Å; I221-F280 HydrophobicContact CB-CG 4.31Å; I221-F280 HydrophobicContact CB-CZ 4.39Å; I221-F280 HydrophobicContact CD1-CD2 4.13Å; I221-F280 HydrophobicContact CD1-CE2 4.12Å; I221-F280 HydrophobicContact CG2-CB 3.92Å; I221-F280 HydrophobicContact CG2-CD1 3.6Å; I221-F280 HydrophobicContact CG2-CD2 4.26Å; I221-F280 HydrophobicContact CG2-CE1 4.18Å; I221-F280 HydrophobicContact CG2-CG 3.66Å; A222-F280 HydrophobicContact CB-CE1 4.26Å; I225-F280 HydrophobicContact CD1-CB 4.46Å; A258-F280 HydrophobicContact CB-CE1 4.4Å; F267-F280 AromaticContact CE1-CE2 4Å; F267-F280 HydrophobicContact CE1-CE2 4Å; F267-F280 HydrophobicContact CE1-CZ 4.15Å; F267-F280 AromaticContact CZ-CE2 3.94Å; F267-F280 HydrophobicContact CZ-CE2 3.94Å; F267-F280 HydrophobicContact CZ-CZ 4.22Å; R276-F280 WeakPolarHBondContact O-CD2 3.37Å; R276-F280 PolarHBondContact O-N 2.97Å; R276-F280 VanDerWaalsContact O-N 3.15Å; F280-L283 PolarHBondContact O-N 3.14Å; F280-G284 PolarHBondContact O-N 3.27Å |
| 281 | L | 97.4 | Very high | 96.1 | Very high | 42 Ų | 42 | 42.9 Ų | 42.9 | 22% | 0.22 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 172.2 | -176.5 | 62.3 | 0 | 0 | 0 | 111.1 | A277 G284 L285 I320 A323 | A277-L281 WeakPolarHBondContact O-CB 3.34Å; A277-L281 PolarHBondContact O-N 2.86Å; L281-G284 PolarHBondContact O-N 2.97Å; L281-L285 HydrophobicContact CD1-CD1 3.92Å; L281-L285 HydrophobicContact CD1-CG 4.02Å; L281-L285 HydrophobicContact CD2-CD1 4.41Å; L281-L285 HydrophobicContact CG-CD1 3.82Å; L281-L285 HydrophobicContact CG-CG 4.26Å; L281-L285 WeakPolarHBondContact O-CB 3.3Å; L281-L285 VanDerWaalsContact O-CG 3.31Å; L281-L285 WeakPolarHBondContact O-CG 3.29Å; L281-L285 PolarHBondContact O-N 3.42Å; L281-I320 HydrophobicContact CD1-CG1 4.05Å; L281-A323 HydrophobicContact CB-CB 4.27Å; L281-A323 HydrophobicContact CD1-CB 4.21Å; L281-A323 HydrophobicContact CD2-CB 4.12Å; L281-A323 HydrophobicContact CG-CB 4.43Å |
| 282 | G | 97.9 | Very high | 96.2 | Very high | 41 Ų | 41 | 40.3 Ų | 40.3 | 42% | 0.423 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G278 V279 L285 S286 | G278-G282 PolarHBondContact O-N 3.2Å; V279-G282 PolarHBondContact O-N 2.98Å; G282-L285 PolarHBondContact O-N 2.99Å; G282-S286 PolarHBondContact O-N 3.27Å |
| 283 | L | 98 | Very high | 96.2 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 174.9 | -173.5 | 65.3 | 0 | 0 | 0 | 111.7 | A222 I225 I251 L254 A258 V279 F280 S286 | A222-L283 HydrophobicContact CB-CD2 4.11Å; I225-L283 HydrophobicContact CB-CD2 4.18Å; I225-L283 HydrophobicContact CB-CG 4.39Å; I225-L283 HydrophobicContact CD1-CB 4.31Å; I225-L283 HydrophobicContact CD1-CD2 3.97Å; I225-L283 HydrophobicContact CD1-CG 4.28Å; I225-L283 HydrophobicContact CG2-CD2 4.19Å; I225-L283 HydrophobicContact CG2-CG 3.86Å; I251-L283 HydrophobicContact CD1-CD1 3.77Å; I251-L283 HydrophobicContact CD1-CG 4.28Å; L254-L283 HydrophobicContact CB-CD1 3.49Å; L254-L283 VanDerWaalsContact CB-CD1 3.49Å; A258-L283 HydrophobicContact CB-CD2 4.08Å; V279-L283 WeakPolarHBondContact O-CB 3.29Å; V279-L283 PolarHBondContact O-N 3.37Å; F280-L283 PolarHBondContact O-N 3.14Å; L283-S286 PolarHBondContact O-OG 2.72Å |
| 284 | G | 95.9 | Very high | 96.2 | Very high | 16 Ų | 16 | 39.2 Ų | 39.2 | 17% | 0.165 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67 | -48.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F280 L281 S286 G287 | F280-G284 PolarHBondContact O-N 3.27Å; L281-G284 PolarHBondContact O-N 2.97Å; G284-S286 PolarHBondContact O-N 3.41Å; G284-G287 PolarHBondContact O-N 3.26Å |
| 285 | L | 96.3 | Very high | 96.2 | Very high | 63 Ų | 63 | 38.6 Ų | 38.6 | 33% | 0.33 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -70.2 | -11.9 | -179.3 | -67.4 | -179.6 | 0 | 0 | 0 | 113.8 | L281 G282 G287 V288 I320 | L281-L285 HydrophobicContact CD1-CD1 3.92Å; L281-L285 HydrophobicContact CD1-CG 4.02Å; L281-L285 HydrophobicContact CD2-CD1 4.41Å; L281-L285 HydrophobicContact CG-CD1 3.82Å; L281-L285 HydrophobicContact CG-CG 4.26Å; L281-L285 WeakPolarHBondContact O-CB 3.3Å; L281-L285 VanDerWaalsContact O-CG 3.31Å; L281-L285 WeakPolarHBondContact O-CG 3.29Å; L281-L285 PolarHBondContact O-N 3.42Å; G282-L285 PolarHBondContact O-N 2.99Å; L285-G287 PolarHBondContact O-N 3.3Å; L285-G287 VanDerWaalsContact O-N 3.1Å; L285-V288 WeakPolarHBondContact O-CB 3.4Å; L285-V288 VanDerWaalsContact O-CG2 3.29Å; L285-V288 WeakPolarHBondContact O-CG2 3.42Å; L285-V288 PolarHBondContact O-N 2.92Å; L285-I320 HydrophobicContact CD2-CD1 4.44Å |
| 286 | S | 97.6 | Very high | 96 | Very high | 29 Ų | 29 | 41.9 Ų | 41.9 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -24.2 | 168.5 | 75.9 | 0 | 0 | 0 | 0 | 112.6 | G282 L283 G284 V288 I289 P290 | G282-S286 PolarHBondContact O-N 3.27Å; L283-S286 PolarHBondContact O-OG 2.72Å; G284-S286 PolarHBondContact O-N 3.41Å; S286-V288 PolarHBondContact O-N 3.37Å; S286-V288 VanDerWaalsContact O-N 3.14Å; S286-I289 PolarHBondContact O-N 3.13Å; S286-I289 VanDerWaalsContact O-N 3.14Å; S286-P290 WeakPolarHBondContact O-CD 3.44Å |
| 287 | G | 95.6 | Very high | 95.7 | Very high | 8 Ų | 8 | 45 Ų | 45 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -15.1 | 173 | 0 | 0 | 0 | 0 | 0 | 114.9 | G284 L285 I289 P290 T291 | G284-G287 PolarHBondContact O-N 3.26Å; L285-G287 PolarHBondContact O-N 3.3Å; L285-G287 VanDerWaalsContact O-N 3.1Å; G287-I289 PolarHBondContact O-N 3.39Å; G287-P290 WeakPolarHBondContact O-CD 3.36Å; G287-P290 WeakPolarHBondContact O-CG 3.29Å; G287-T291 WeakPolarHBondContact O-CB 3.37Å; G287-T291 PolarHBondContact O-N 3.07Å; G287-T291 PolarHBondContact O-OG1 3.39Å |
| 288 | V | 95.2 | Very high | 95.4 | Very high | 74 Ų | 74 | 46.6 Ų | 46.6 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.7 | -35 | 171.6 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | L285 S286 T291 L292 | L285-V288 WeakPolarHBondContact O-CB 3.4Å; L285-V288 VanDerWaalsContact O-CG2 3.29Å; L285-V288 WeakPolarHBondContact O-CG2 3.42Å; L285-V288 PolarHBondContact O-N 2.92Å; S286-V288 PolarHBondContact O-N 3.37Å; S286-V288 VanDerWaalsContact O-N 3.14Å; V288-T291 PolarHBondContact O-N 3.44Å; V288-L292 HydrophobicContact CG1-CD1 3.79Å; V288-L292 HydrophobicContact CG1-CG 4.17Å; V288-L292 WeakPolarHBondContact O-CB 3.39Å; V288-L292 VanDerWaalsContact O-CG 3.29Å; V288-L292 WeakPolarHBondContact O-CG 3.25Å; V288-L292 PolarHBondContact O-N 2.93Å |
| 289 | I | 97.1 | Very high | 95 | Very high | 104 Ų | 104 | 45.8 Ų | 45.8 | 53% | 0.533 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.3 | -54.7 | -179.5 | -55.1 | -58.1 | 0 | 0 | 0 | 112.4 | Y247 S286 G287 T291 L292 H293 | Y247-I289 HydrophobicContact CE1-CG2 3.97Å; S286-I289 PolarHBondContact O-N 3.13Å; S286-I289 VanDerWaalsContact O-N 3.14Å; G287-I289 PolarHBondContact O-N 3.39Å; I289-T291 VanDerWaalsContact C-N 3.27Å; I289-T291 PolarHBondContact O-N 3.48Å; I289-L292 PolarHBondContact O-N 3.47Å; I289-H293 PolarHBondContact O-N 2.83Å |
| 290 | P | 96.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.8 | -33.8 | 171.7 | 15 | -24.6 | 0 | 0 | 0 | 113.2 | W232 L233 F237 Y247 S286 G287 H293 F294 | W232-P290 HydrophobicContact CH2-CB 3.98Å; W232-P290 HydrophobicContact CH2-CG 3.84Å; W232-P290 HydrophobicContact CZ3-CB 4.3Å; W232-P290 HydrophobicContact CZ3-CG 3.91Å; L233-P290 HydrophobicContact CD2-CB 3.74Å; L233-P290 HydrophobicContact CD2-CG 4.18Å; F237-P290 HydrophobicContact CE2-CB 3.86Å; F237-P290 HydrophobicContact CZ-CB 4.23Å; F237-P290 WeakPolarHBondContact CZ-O 3.13Å; Y247-P290 HydrophobicContact CD1-CB 4.12Å; Y247-P290 HydrophobicContact CD1-CG 4.2Å; Y247-P290 HydrophobicContact CD2-CB 3.7Å; Y247-P290 HydrophobicContact CE1-CB 4.27Å; Y247-P290 HydrophobicContact CE2-CB 3.84Å; Y247-P290 HydrophobicContact CG-CB 3.86Å; Y247-P290 HydrophobicContact CG-CG 4.25Å; S286-P290 WeakPolarHBondContact O-CD 3.44Å; G287-P290 WeakPolarHBondContact O-CD 3.36Å; G287-P290 WeakPolarHBondContact O-CG 3.29Å; P290-H293 PolarHBondContact O-N 3.04Å; P290-F294 WeakPolarHBondContact O-CB 3.47Å; P290-F294 PolarHBondContact O-N 3.39Å |
| 291 | T | 94.3 | Very high | 93.9 | Very high | 30 Ų | 30 | 55 Ų | 55 | 18% | 0.184 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 175.8 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | W232 G287 V288 I289 F294 V295 L312 | W232-T291 WeakPolarHBondContact CH2-OG1 3.42Å; W232-T291 WeakPolarHBondContact CZ2-OG1 3.5Å; G287-T291 WeakPolarHBondContact O-CB 3.37Å; G287-T291 PolarHBondContact O-N 3.07Å; G287-T291 PolarHBondContact O-OG1 3.39Å; V288-T291 PolarHBondContact O-N 3.44Å; I289-T291 VanDerWaalsContact C-N 3.27Å; I289-T291 PolarHBondContact O-N 3.48Å; T291-F294 PolarHBondContact O-N 3.21Å; T291-V295 WeakPolarHBondContact O-CG2 3.36Å; T291-V295 PolarHBondContact O-N 3.23Å; T291-L312 HydrophobicContact CG2-CD1 3.8Å |
| 292 | L | 94.4 | Very high | 93.2 | Very high | 94 Ų | 94 | 57.1 Ų | 57.1 | 49% | 0.492 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 177.5 | -73.7 | 171.7 | 0 | 0 | 0 | 111.7 | V288 I289 V295 I296 | V288-L292 HydrophobicContact CG1-CD1 3.79Å; V288-L292 HydrophobicContact CG1-CG 4.17Å; V288-L292 WeakPolarHBondContact O-CB 3.39Å; V288-L292 VanDerWaalsContact O-CG 3.29Å; V288-L292 WeakPolarHBondContact O-CG 3.25Å; V288-L292 PolarHBondContact O-N 2.93Å; I289-L292 PolarHBondContact O-N 3.47Å; L292-V295 PolarHBondContact O-N 3.36Å; L292-I296 WeakPolarHBondContact O-CB 3.34Å; L292-I296 WeakPolarHBondContact O-CD1 3.47Å; L292-I296 WeakPolarHBondContact O-CG1 3.26Å; L292-I296 PolarHBondContact O-N 3.05Å |
| 293 | H | 95.6 | Very high | 92.4 | Very high | 61 Ų | 61 | 55.1 Ų | 55.1 | 28% | 0.282 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60 | -49.6 | 175 | -170 | 168.4 | 0 | 0 | 0 | 111.1 | F237 Y247 I289 P290 V295 I296 S297 | F237-H293 HydrophobicContact CZ-CB 4.28Å; Y247-H293 HydrophobicContact CE2-CB 4.33Å; Y247-H293 AromaticContact CE2-ND1 3.53Å; Y247-H293 AromaticContact CZ-ND1 3.63Å; Y247-H293 WeakPolarHBondContact OH-CB 3.48Å; Y247-H293 PolarHBondContact OH-ND1 3.31Å; I289-H293 PolarHBondContact O-N 2.83Å; P290-H293 PolarHBondContact O-N 3.04Å; H293-V295 PolarHBondContact O-N 2.7Å; H293-I296 PolarHBondContact O-N 2.62Å; H293-I296 VanDerWaalsContact O-N 3.16Å; H293-S297 PolarHBondContact CD2-OG 3.13Å; H293-S297 PolarHBondContact O-N 3.3Å; H293-S297 PolarHBondContact O-OG 3.28Å |
| 294 | F | 93.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.5 | -48.1 | 176.4 | 177.4 | -98.1 | 0 | 0 | 0 | 111.9 | S236 F237 P290 T291 I296 S297 E298 A303 M306 Q308 | S236-F294 VanDerWaalsContact O-CD2 3.32Å; S236-F294 WeakPolarHBondContact O-CD2 3.38Å; S236-F294 WeakPolarHBondContact O-CE2 3.24Å; F237-F294 HydrophobicContact CE1-CB 4.41Å; F237-F294 HydrophobicContact CZ-CB 4.03Å; P290-F294 WeakPolarHBondContact O-CB 3.47Å; P290-F294 PolarHBondContact O-N 3.39Å; T291-F294 PolarHBondContact O-N 3.21Å; F294-I296 VanDerWaalsContact C-N 3.3Å; F294-I296 PolarHBondContact O-N 3.18Å; F294-S297 PolarHBondContact O-N 2.71Å; F294-E298 HydrophobicContact CD2-CB 4.46Å; F294-E298 HydrophobicContact CD2-CG 3.7Å; F294-E298 HydrophobicContact CE2-CB 4.26Å; F294-E298 HydrophobicContact CE2-CG 3.62Å; F294-E298 HydrophobicContact CG-CG 4.34Å; F294-E298 HydrophobicContact CZ-CB 4.34Å; F294-E298 HydrophobicContact CZ-CG 4.19Å; F294-E298 VanDerWaalsContact O-CB 3.25Å; F294-E298 WeakPolarHBondContact O-CB 3.3Å; F294-E298 WeakPolarHBondContact O-CG 3.37Å; F294-E298 PolarHBondContact O-N 3.19Å; F294-A303 HydrophobicContact CD1-CB 4.14Å; F294-A303 HydrophobicContact CE1-CB 3.71Å; F294-M306 HydrophobicContact CZ-CE 4.26Å; F294-M306 HydrophobicContact CZ-SD 4.14Å; F294-Q308 HydrophobicContact CE1-CG 4.46Å |
| 295 | V | 92.5 | Very high | 90.7 | Very high | 36 Ų | 36 | 61.4 Ų | 61.4 | 22% | 0.218 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64 | -32 | 178.3 | 172.3 | 0 | 0 | 0 | 0 | 112.9 | T291 L292 H293 G299 L300 A303 | T291-V295 WeakPolarHBondContact O-CG2 3.36Å; T291-V295 PolarHBondContact O-N 3.23Å; L292-V295 PolarHBondContact O-N 3.36Å; H293-V295 PolarHBondContact O-N 2.7Å; V295-G299 CarbonylContact O-C 3.31Å; V295-G299 VanDerWaalsContact O-CA 3.27Å; V295-G299 WeakPolarHBondContact O-CA 3.44Å; V295-G299 PolarHBondContact O-N 2.79Å; V295-G299 VanDerWaalsContact O-N 3.15Å; V295-L300 HydrophobicContact CG1-CD1 4.08Å; V295-A303 HydrophobicContact CG2-CB 3.87Å |
| 296 | I | 93.6 | Very high | 89.8 | Confident | 141 Ų | 141 | 59.6 Ų | 59.6 | 72% | 0.723 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -74.2 | -40.9 | 176.5 | -71.2 | 164.7 | 0 | 0 | 0 | 111.6 | L292 H293 F294 | L292-I296 WeakPolarHBondContact O-CB 3.34Å; L292-I296 WeakPolarHBondContact O-CD1 3.47Å; L292-I296 WeakPolarHBondContact O-CG1 3.26Å; L292-I296 PolarHBondContact O-N 3.05Å; H293-I296 PolarHBondContact O-N 2.62Å; H293-I296 VanDerWaalsContact O-N 3.16Å; F294-I296 VanDerWaalsContact C-N 3.3Å; F294-I296 PolarHBondContact O-N 3.18Å |
| 297 | S | 90.6 | Very high | 88.7 | Confident | 68 Ų | 68 | 59.4 Ų | 59.4 | 48% | 0.476 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -77.9 | -41.6 | -179.1 | -65.1 | 0 | 0 | 0 | 0 | 113.6 | H293 F294 | H293-S297 PolarHBondContact CD2-OG 3.13Å; H293-S297 PolarHBondContact O-N 3.3Å; H293-S297 PolarHBondContact O-OG 3.28Å; F294-S297 PolarHBondContact O-N 2.71Å |
| 298 | E | 88.3 | Confident | 87.8 | Confident | 46 Ų | 46 | 59.3 Ų | 59.3 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -99.6 | -12.5 | -170.1 | -59.8 | -77.9 | 170.8 | 0 | 0 | 112.4 | F294 K302 | F294-E298 HydrophobicContact CD2-CB 4.46Å; F294-E298 HydrophobicContact CD2-CG 3.7Å; F294-E298 HydrophobicContact CE2-CB 4.26Å; F294-E298 HydrophobicContact CE2-CG 3.62Å; F294-E298 HydrophobicContact CG-CG 4.34Å; F294-E298 HydrophobicContact CZ-CB 4.34Å; F294-E298 HydrophobicContact CZ-CG 4.19Å; F294-E298 VanDerWaalsContact O-CB 3.25Å; F294-E298 WeakPolarHBondContact O-CB 3.3Å; F294-E298 WeakPolarHBondContact O-CG 3.37Å; F294-E298 PolarHBondContact O-N 3.19Å; E298-K302 HydrophobicContact CB-CD 4.16Å; E298-K302 WeakPolarHBondContact O-CB 3.37Å; E298-K302 WeakPolarHBondContact OE2-CD 3.35Å; E298-K302 WeakPolarHBondContact OE2-CE 3.48Å; E298-K302 IonicContact OE2-NZ 3.03Å; E298-K302 PolarHBondContact OE2-NZ 3.14Å |
| 299 | G | 88.8 | Confident | 87.2 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 31% | 0.309 | 33% | 0.333 | S | S | . | . | trans | 81.7 | 148.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V295 L301 K302 A303 | V295-G299 CarbonylContact O-C 3.31Å; V295-G299 VanDerWaalsContact O-CA 3.27Å; V295-G299 WeakPolarHBondContact O-CA 3.44Å; V295-G299 PolarHBondContact O-N 2.79Å; V295-G299 VanDerWaalsContact O-N 3.15Å; G299-L301 PolarHBondContact O-N 3.44Å; G299-K302 PolarHBondContact O-N 3.34Å; G299-A303 PolarHBondContact O-N 3.37Å | ||
| 300 | L | 87.3 | Confident | 86.8 | Confident | 119 Ų | 119 | 56.1 Ų | 56.1 | 62% | 0.623 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -57.5 | -35.5 | -178.1 | -172.8 | 69.5 | 0 | 0 | 0 | 112.9 | V295 A304 I309 | V295-L300 HydrophobicContact CG1-CD1 4.08Å; L300-A304 VanDerWaalsContact O-CB 3.3Å; L300-A304 WeakPolarHBondContact O-CB 3.15Å; L300-A304 PolarHBondContact O-N 3Å; L300-I309 HydrophobicContact CD1-CD1 3.62Å |
| 301 | L | 85.5 | Confident | 86.5 | Confident | 137 Ų | 137 | 59.8 Ų | 59.8 | 72% | 0.717 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.6 | -47.1 | -179.8 | -177.1 | 62.4 | 0 | 0 | 0 | 111.7 | G299 A304 T305 | G299-L301 PolarHBondContact O-N 3.44Å; L301-A304 PolarHBondContact O-N 2.78Å; L301-T305 HydrophobicContact CD1-CG2 4.19Å; L301-T305 HydrophobicContact CG-CG2 4.5Å; L301-T305 WeakPolarHBondContact O-CG2 3.45Å; L301-T305 PolarHBondContact O-N 3.1Å; L301-T305 PolarHBondContact O-OG1 2.95Å; L301-T305 VanDerWaalsContact O-OG1 3.14Å |
| 302 | K | 82.5 | Confident | 86.3 | Confident | 85 Ų | 85 | 60.6 Ų | 60.6 | 37% | 0.37 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 180 | -162.4 | 166.7 | 176.7 | -172.3 | 0 | 111.1 | E298 G299 A304 T305 M306 | E298-K302 HydrophobicContact CB-CD 4.16Å; E298-K302 WeakPolarHBondContact O-CB 3.37Å; E298-K302 WeakPolarHBondContact OE2-CD 3.35Å; E298-K302 WeakPolarHBondContact OE2-CE 3.48Å; E298-K302 IonicContact OE2-NZ 3.03Å; E298-K302 PolarHBondContact OE2-NZ 3.14Å; G299-K302 PolarHBondContact O-N 3.34Å; K302-A304 VanDerWaalsContact C-N 3.28Å; K302-A304 PolarHBondContact O-N 3.03Å; K302-T305 PolarHBondContact O-N 2.71Å; K302-T305 PolarHBondContact O-OG1 3.48Å; K302-M306 HydrophobicContact CG-SD 4.1Å; K302-M306 WeakPolarHBondContact O-CB 3.25Å; K302-M306 VanDerWaalsContact O-CG 3.29Å; K302-M306 WeakPolarHBondContact O-CG 3.33Å; K302-M306 PolarHBondContact O-N 2.94Å |
| 303 | A | 82.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.9 | -28.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | F294 V295 G299 Q308 I309 | F294-A303 HydrophobicContact CD1-CB 4.14Å; F294-A303 HydrophobicContact CE1-CB 3.71Å; V295-A303 HydrophobicContact CG2-CB 3.87Å; G299-A303 PolarHBondContact O-N 3.37Å; A303-Q308 PolarHBondContact O-N 2.88Å; A303-I309 HydrophobicContact CB-CD1 3.78Å; A303-I309 HydrophobicContact CB-CG1 4.01Å; A303-I309 PolarHBondContact O-N 3.14Å |
| 304 | A | 81.9 | Confident | 86.1 | Confident | 54 Ų | 54 | 59.3 Ų | 59.3 | 45% | 0.446 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -79.8 | -44.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L300 L301 K302 G307 I309 | L300-A304 VanDerWaalsContact O-CB 3.3Å; L300-A304 WeakPolarHBondContact O-CB 3.15Å; L300-A304 PolarHBondContact O-N 3Å; L301-A304 PolarHBondContact O-N 2.78Å; K302-A304 VanDerWaalsContact C-N 3.28Å; K302-A304 PolarHBondContact O-N 3.03Å; A304-G307 WeakPolarHBondContact O-CA 3.39Å; A304-G307 PolarHBondContact O-N 3.13Å; A304-I309 HydrophobicContact CB-CD1 4.28Å |
| 305 | T | 75.6 | Confident | 86.2 | Confident | 102 Ų | 102 | 60.3 Ų | 60.3 | 63% | 0.626 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -70.7 | -31.7 | -179 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | L301 K302 G307 | L301-T305 HydrophobicContact CD1-CG2 4.19Å; L301-T305 HydrophobicContact CG-CG2 4.5Å; L301-T305 WeakPolarHBondContact O-CG2 3.45Å; L301-T305 PolarHBondContact O-N 3.1Å; L301-T305 PolarHBondContact O-OG1 2.95Å; L301-T305 VanDerWaalsContact O-OG1 3.14Å; K302-T305 PolarHBondContact O-N 2.71Å; K302-T305 PolarHBondContact O-OG1 3.48Å; T305-G307 PolarHBondContact O-N 3.2Å |
| 306 | M | 77.1 | Confident | 86.2 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 12% | 0.123 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 0.6 | 167.5 | -67.4 | 175.4 | 62.3 | 0 | 0 | 113.2 | F294 K302 Q308 L367 F370 | F294-M306 HydrophobicContact CZ-CE 4.26Å; F294-M306 HydrophobicContact CZ-SD 4.14Å; K302-M306 HydrophobicContact CG-SD 4.1Å; K302-M306 WeakPolarHBondContact O-CB 3.25Å; K302-M306 VanDerWaalsContact O-CG 3.29Å; K302-M306 WeakPolarHBondContact O-CG 3.33Å; K302-M306 PolarHBondContact O-N 2.94Å; M306-Q308 HydrophobicContact CB-CG 4.33Å; M306-Q308 PolarHBondContact O-N 2.92Å; M306-L367 HydrophobicContact CB-CD2 4.49Å; M306-L367 HydrophobicContact CE-CD2 3.57Å; M306-F370 HydrophobicContact CE-CD1 3.84Å; M306-F370 HydrophobicContact CE-CE1 3.8Å; M306-F370 HydrophobicContact CG-CD1 4.07Å; M306-F370 HydrophobicContact CG-CD2 4.42Å; M306-F370 HydrophobicContact CG-CE1 3.67Å; M306-F370 HydrophobicContact CG-CE2 4.05Å; M306-F370 HydrophobicContact CG-CG 4.43Å; M306-F370 HydrophobicContact CG-CZ 3.66Å; M306-F370 HydrophobicContact SD-CD1 4.31Å; M306-F370 HydrophobicContact SD-CE1 3.71Å; M306-F370 HydrophobicContact SD-CZ 4.13Å |
| 307 | G | 74.1 | Confident | 86.4 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 26% | 0.258 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 69.8 | -3.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | A304 T305 I309 G310 W311 | A304-G307 WeakPolarHBondContact O-CA 3.39Å; A304-G307 PolarHBondContact O-N 3.13Å; T305-G307 PolarHBondContact O-N 3.2Å; G307-I309 VanDerWaalsContact C-N 3.34Å; G307-I309 PolarHBondContact O-N 3.02Å; G307-G310 PolarHBondContact O-N 3.38Å; G307-W311 VanDerWaalsContact O-CD1 3.23Å; G307-W311 PolarHBondContact O-N 3.24Å |
| 308 | Q | 77.4 | Confident | 86.7 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.028 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.9 | -45.9 | -172.1 | -72.3 | -152 | 0.9 | 0 | 0 | 112.5 | S236 F294 A303 M306 G310 W311 L312 L367 | S236-Q308 PolarHBondContact OG-NE2 3.32Å; F294-Q308 HydrophobicContact CE1-CG 4.46Å; A303-Q308 PolarHBondContact O-N 2.88Å; M306-Q308 HydrophobicContact CB-CG 4.33Å; M306-Q308 PolarHBondContact O-N 2.92Å; Q308-G310 VanDerWaalsContact C-N 3.29Å; Q308-G310 PolarHBondContact O-N 3.43Å; Q308-W311 PolarHBondContact O-N 3.37Å; Q308-L312 HydrophobicContact CB-CD1 4.25Å; Q308-L312 VanDerWaalsContact O-CB 3.3Å; Q308-L312 WeakPolarHBondContact O-CB 3.17Å; Q308-L312 VanDerWaalsContact O-CG 3.26Å; Q308-L312 WeakPolarHBondContact O-CG 3.29Å; Q308-L312 PolarHBondContact O-N 3.41Å; Q308-L367 HydrophobicContact CG-CD1 4.23Å; Q308-L367 HydrophobicContact CG-CD2 3.8Å; Q308-L367 HydrophobicContact CG-CG 4.47Å; Q308-L367 VanDerWaalsContact NE2-CD2 3.32Å |
| 309 | I | 82.5 | Confident | 86.9 | Confident | 63 Ų | 63 | 56 Ų | 56 | 32% | 0.323 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.4 | -40.8 | -176.3 | -63.2 | 171.6 | 0 | 0 | 0 | 111.3 | L300 A303 A304 G307 A313 | L300-I309 HydrophobicContact CD1-CD1 3.62Å; A303-I309 HydrophobicContact CB-CD1 3.78Å; A303-I309 HydrophobicContact CB-CG1 4.01Å; A303-I309 PolarHBondContact O-N 3.14Å; A304-I309 HydrophobicContact CB-CD1 4.28Å; G307-I309 VanDerWaalsContact C-N 3.34Å; G307-I309 PolarHBondContact O-N 3.02Å; I309-A313 WeakPolarHBondContact O-CB 3.33Å; I309-A313 PolarHBondContact O-N 3.16Å |
| 310 | G | 88.4 | Confident | 87.2 | Confident | 49 Ų | 49 | 58.4 Ų | 58.4 | 51% | 0.505 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.5 | -45.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G307 Q308 A313 L314 | G307-G310 PolarHBondContact O-N 3.38Å; Q308-G310 VanDerWaalsContact C-N 3.29Å; Q308-G310 PolarHBondContact O-N 3.43Å; G310-A313 PolarHBondContact O-N 3.12Å; G310-L314 PolarHBondContact O-N 3.21Å |
| 311 | W | 90.6 | Very high | 87.7 | Confident | 80 Ų | 80 | 55.8 Ų | 55.8 | 30% | 0.303 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.1 | -41.4 | 177.8 | -65.3 | 117 | 0 | 0 | 0 | 112.4 | G307 Q308 L314 M315 V359 H362 | G307-W311 VanDerWaalsContact O-CD1 3.23Å; G307-W311 PolarHBondContact O-N 3.24Å; Q308-W311 PolarHBondContact O-N 3.37Å; W311-L314 HydrophobicContact CE3-CD2 4.23Å; W311-L314 HydrophobicContact CZ3-CD2 4.09Å; W311-L314 PolarHBondContact O-N 3.01Å; W311-M315 WeakPolarHBondContact O-CB 3.26Å; W311-M315 VanDerWaalsContact O-CG 3.24Å; W311-M315 WeakPolarHBondContact O-CG 3.28Å; W311-M315 PolarHBondContact O-N 3.27Å; W311-V359 HydrophobicContact CE3-CG1 3.88Å; W311-V359 HydrophobicContact CZ3-CG1 4.24Å; W311-H362 AromaticContact CE2-ND1 3.76Å; W311-H362 AromaticContact CH2-CE1 3.56Å; W311-H362 AromaticContact CH2-ND1 3.39Å; W311-H362 WeakPolarHBondContact CH2-ND1 3.31Å; W311-H362 AromaticContact CZ2-CE1 3.35Å; W311-H362 WeakPolarHBondContact CZ2-CE1 3.03Å; W311-H362 AromaticContact CZ2-ND1 3.27Å; W311-H362 VanDerWaalsContact CZ2-ND1 3.27Å; W311-H362 WeakPolarHBondContact CZ2-ND1 3.2Å; W311-H362 AromaticContact CZ3-ND1 3.97Å |
| 312 | L | 89.2 | Confident | 88.3 | Confident | 47 Ų | 47 | 49.3 Ų | 49.3 | 25% | 0.246 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.3 | -37.4 | 176.6 | -69.7 | 170.7 | 0 | 0 | 0 | 112 | W232 T291 Q308 M315 A316 | W232-L312 HydrophobicContact CZ2-CD1 4.01Å; W232-L312 HydrophobicContact CZ2-CD2 4.1Å; T291-L312 HydrophobicContact CG2-CD1 3.8Å; Q308-L312 HydrophobicContact CB-CD1 4.25Å; Q308-L312 VanDerWaalsContact O-CB 3.3Å; Q308-L312 WeakPolarHBondContact O-CB 3.17Å; Q308-L312 VanDerWaalsContact O-CG 3.26Å; Q308-L312 WeakPolarHBondContact O-CG 3.29Å; Q308-L312 PolarHBondContact O-N 3.41Å; L312-M315 PolarHBondContact O-N 2.92Å; L312-A316 WeakPolarHBondContact O-CB 3.49Å; L312-A316 PolarHBondContact O-N 3.34Å |
| 313 | A | 92.1 | Very high | 88.9 | Confident | 52 Ų | 52 | 45.8 Ų | 45.8 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I309 G310 M315 A316 C317 | I309-A313 WeakPolarHBondContact O-CB 3.33Å; I309-A313 PolarHBondContact O-N 3.16Å; G310-A313 PolarHBondContact O-N 3.12Å; A313-M315 VanDerWaalsContact C-N 3.34Å; A313-M315 PolarHBondContact O-N 3.12Å; A313-A316 PolarHBondContact O-N 2.99Å; A313-C317 PolarHBondContact O-N 3.44Å; A313-C317 PolarHBondContact O-SG 3Å; A313-C317 VanDerWaalsContact O-SG 3.35Å |
| 314 | L | 95.2 | Very high | 89.6 | Confident | 77 Ų | 77 | 48.3 Ų | 48.3 | 40% | 0.403 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 175.9 | -179.1 | 59 | 0 | 0 | 0 | 111.8 | G310 W311 C317 L318 V359 | G310-L314 PolarHBondContact O-N 3.21Å; W311-L314 HydrophobicContact CE3-CD2 4.23Å; W311-L314 HydrophobicContact CZ3-CD2 4.09Å; W311-L314 PolarHBondContact O-N 3.01Å; L314-C317 PolarHBondContact O-N 2.93Å; L314-L318 HydrophobicContact CD1-CD1 4.48Å; L314-L318 HydrophobicContact CD1-CG 4.46Å; L314-L318 HydrophobicContact CG-CD1 4.26Å; L314-L318 WeakPolarHBondContact O-CG 3.28Å; L314-L318 PolarHBondContact O-N 3.06Å; L314-V359 HydrophobicContact CB-CG1 4.5Å; L314-V359 HydrophobicContact CD2-CG1 3.72Å; L314-V359 HydrophobicContact CD2-CG2 4.22Å; L314-V359 HydrophobicContact CG-CG1 3.99Å |
| 315 | M | 94.3 | Very high | 90.4 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.4 | -45 | 173.6 | -76.6 | -58.6 | -58.8 | 0 | 0 | 112.4 | W311 L312 A313 L318 Y319 G356 V359 H360 | W311-M315 WeakPolarHBondContact O-CB 3.26Å; W311-M315 VanDerWaalsContact O-CG 3.24Å; W311-M315 WeakPolarHBondContact O-CG 3.28Å; W311-M315 PolarHBondContact O-N 3.27Å; L312-M315 PolarHBondContact O-N 2.92Å; A313-M315 VanDerWaalsContact C-N 3.34Å; A313-M315 PolarHBondContact O-N 3.12Å; M315-L318 PolarHBondContact O-N 3.35Å; M315-Y319 HydrophobicContact CE-CD2 3.95Å; M315-Y319 HydrophobicContact CE-CE2 3.59Å; M315-Y319 WeakPolarHBondContact O-CD2 3.27Å; M315-Y319 PolarHBondContact O-N 2.99Å; M315-G356 WeakPolarHBondContact CE-O 3.32Å; M315-V359 HydrophobicContact CG-CG1 4.1Å; M315-V359 HydrophobicContact SD-CB 3.85Å; M315-V359 HydrophobicContact SD-CG1 3.69Å; M315-H360 HydrophobicContact CE-CB 3.81Å; M315-H360 HydrophobicContact SD-CB 3.88Å; M315-H360 PolarHBondContact SD-N 3.36Å; M315-H360 VanDerWaalsContact SD-N 3.44Å |
| 316 | A | 93.3 | Very high | 91.4 | Very high | 34 Ų | 34 | 43.1 Ų | 43.1 | 28% | 0.281 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L312 A313 Y319 I320 | L312-A316 WeakPolarHBondContact O-CB 3.49Å; L312-A316 PolarHBondContact O-N 3.34Å; A313-A316 PolarHBondContact O-N 2.99Å; A316-Y319 PolarHBondContact O-N 3.23Å; A316-I320 WeakPolarHBondContact O-CB 3.25Å; A316-I320 WeakPolarHBondContact O-CD1 3.42Å; A316-I320 VanDerWaalsContact O-CG1 3.22Å; A316-I320 WeakPolarHBondContact O-CG1 3.32Å; A316-I320 PolarHBondContact O-N 2.85Å |
| 317 | C | 97.1 | Very high | 92.3 | Very high | 75 Ų | 75 | 44 Ų | 44 | 51% | 0.507 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 173.2 | -69.6 | 0 | 0 | 0 | 0 | 111.9 | A313 L314 I320 T321 | A313-C317 PolarHBondContact O-N 3.44Å; A313-C317 PolarHBondContact O-SG 3Å; A313-C317 VanDerWaalsContact O-SG 3.35Å; L314-C317 PolarHBondContact O-N 2.93Å; C317-I320 PolarHBondContact O-N 3.36Å; C317-T321 VanDerWaalsContact O-CB 3.29Å; C317-T321 WeakPolarHBondContact O-CB 3.38Å; C317-T321 PolarHBondContact O-N 3.39Å; C317-T321 PolarHBondContact O-OG1 3.29Å; C317-T321 VanDerWaalsContact O-OG1 3.08Å |
| 318 | L | 96.9 | Very high | 93.4 | Very high | 29 Ų | 29 | 44.3 Ų | 44.3 | 15% | 0.152 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 178.5 | -70 | 170 | 0 | 0 | 0 | 112.1 | L314 M315 G322 F352 V359 | L314-L318 HydrophobicContact CD1-CD1 4.48Å; L314-L318 HydrophobicContact CD1-CG 4.46Å; L314-L318 HydrophobicContact CG-CD1 4.26Å; L314-L318 WeakPolarHBondContact O-CG 3.28Å; L314-L318 PolarHBondContact O-N 3.06Å; M315-L318 PolarHBondContact O-N 3.35Å; L318-G322 PolarHBondContact O-N 3.44Å; L318-F352 HydrophobicContact CB-CD1 4.29Å; L318-F352 HydrophobicContact CD2-CD1 3.68Å; L318-F352 HydrophobicContact CD2-CE1 3.74Å; L318-F352 WeakPolarHBondContact O-CD1 3.32Å; L318-V359 HydrophobicContact CD1-CB 4.13Å; L318-V359 HydrophobicContact CD1-CG1 4.37Å; L318-V359 HydrophobicContact CD1-CG2 3.94Å |
| 319 | Y | 91.8 | Very high | 94.4 | Very high | 62 Ų | 62 | 45.9 Ų | 45.9 | 24% | 0.243 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.6 | -49 | 177 | -97.4 | -103.1 | 0 | 0 | 0 | 112.4 | I225 M315 A316 A323 | I225-Y319 HydrophobicContact CD1-CE1 4.26Å; I225-Y319 HydrophobicContact CG1-CE1 4.18Å; I225-Y319 WeakPolarHBondContact CG1-OH 3.27Å; M315-Y319 HydrophobicContact CE-CD2 3.95Å; M315-Y319 HydrophobicContact CE-CE2 3.59Å; M315-Y319 WeakPolarHBondContact O-CD2 3.27Å; M315-Y319 PolarHBondContact O-N 2.99Å; A316-Y319 PolarHBondContact O-N 3.23Å; Y319-A323 VanDerWaalsContact O-CB 3.26Å; Y319-A323 WeakPolarHBondContact O-CB 3.38Å; Y319-A323 PolarHBondContact O-N 3.19Å |
| 320 | I | 96.7 | Very high | 95.1 | Very high | 80 Ų | 80 | 45.2 Ų | 45.2 | 41% | 0.41 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | -177.8 | -67.9 | 166.1 | 0 | 0 | 0 | 110.6 | L281 L285 A316 C317 A324 | L281-I320 HydrophobicContact CD1-CG1 4.05Å; L285-I320 HydrophobicContact CD2-CD1 4.44Å; A316-I320 WeakPolarHBondContact O-CB 3.25Å; A316-I320 WeakPolarHBondContact O-CD1 3.42Å; A316-I320 VanDerWaalsContact O-CG1 3.22Å; A316-I320 WeakPolarHBondContact O-CG1 3.32Å; A316-I320 PolarHBondContact O-N 2.85Å; C317-I320 PolarHBondContact O-N 3.36Å; I320-A324 WeakPolarHBondContact O-CB 3.48Å; I320-A324 PolarHBondContact O-N 3.07Å |
| 321 | T | 97.9 | Very high | 95.6 | Very high | 64 Ų | 64 | 44.2 Ų | 44.2 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 178.6 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | C317 A324 L325 F352 | C317-T321 VanDerWaalsContact O-CB 3.29Å; C317-T321 WeakPolarHBondContact O-CB 3.38Å; C317-T321 PolarHBondContact O-N 3.39Å; C317-T321 PolarHBondContact O-OG1 3.29Å; C317-T321 VanDerWaalsContact O-OG1 3.08Å; T321-A324 PolarHBondContact O-N 2.88Å; T321-L325 HydrophobicContact CG2-CD1 4.11Å; T321-L325 HydrophobicContact CG2-CG 4.37Å; T321-L325 WeakPolarHBondContact O-CG 3.47Å; T321-L325 PolarHBondContact O-N 2.68Å; T321-F352 HydrophobicContact CG2-CE1 3.62Å; T321-F352 HydrophobicContact CG2-CE2 4.35Å; T321-F352 HydrophobicContact CG2-CZ 3.49Å; T321-F352 VanDerWaalsContact CG2-CZ 3.49Å |
| 322 | G | 97.4 | Very high | 96 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60 | -48.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L318 A324 L325 Y326 F349 | L318-G322 PolarHBondContact O-N 3.44Å; G322-A324 VanDerWaalsContact C-N 3.35Å; G322-A324 PolarHBondContact O-N 3.2Å; G322-L325 PolarHBondContact O-N 2.9Å; G322-Y326 WeakPolarHBondContact O-CB 3.32Å; G322-Y326 PolarHBondContact O-N 3.49Å; G322-Y326 VanDerWaalsContact O-N 3.1Å; G322-F349 WeakPolarHBondContact O-CD2 3.46Å |
| 323 | A | 95.3 | Very high | 96.4 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 10% | 0.099 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L281 Y319 A327 | L281-A323 HydrophobicContact CB-CB 4.27Å; L281-A323 HydrophobicContact CD1-CB 4.21Å; L281-A323 HydrophobicContact CD2-CB 4.12Å; L281-A323 HydrophobicContact CG-CB 4.43Å; Y319-A323 VanDerWaalsContact O-CB 3.26Å; Y319-A323 WeakPolarHBondContact O-CB 3.38Å; Y319-A323 PolarHBondContact O-N 3.19Å; A323-A327 VanDerWaalsContact O-CB 3.25Å; A323-A327 WeakPolarHBondContact O-CB 3.4Å; A323-A327 PolarHBondContact O-N 3.27Å |
| 324 | A | 97.5 | Very high | 96.7 | Very high | 52 Ų | 52 | 48 Ų | 48 | 43% | 0.43 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.6 | -43.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I320 T321 G322 A327 A328 | I320-A324 WeakPolarHBondContact O-CB 3.48Å; I320-A324 PolarHBondContact O-N 3.07Å; T321-A324 PolarHBondContact O-N 2.88Å; G322-A324 VanDerWaalsContact C-N 3.35Å; G322-A324 PolarHBondContact O-N 3.2Å; A324-A327 PolarHBondContact O-N 3.24Å; A324-A328 WeakPolarHBondContact O-CB 3.4Å; A324-A328 PolarHBondContact O-N 3.4Å |
| 325 | L | 97.6 | Very high | 96.8 | Very high | 30 Ų | 30 | 50.3 Ų | 50.3 | 16% | 0.157 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59 | -50.2 | 175.2 | -72.1 | 173 | 0 | 0 | 0 | 110.8 | T321 G322 R329 I330 S345 L348 F352 | T321-L325 HydrophobicContact CG2-CD1 4.11Å; T321-L325 HydrophobicContact CG2-CG 4.37Å; T321-L325 WeakPolarHBondContact O-CG 3.47Å; T321-L325 PolarHBondContact O-N 2.68Å; G322-L325 PolarHBondContact O-N 2.9Å; L325-R329 WeakPolarHBondContact O-CA 3.19Å; L325-R329 PolarHBondContact O-N 3.23Å; L325-I330 HydrophobicContact CD2-CB 3.92Å; L325-I330 HydrophobicContact CD2-CG2 3.73Å; L325-I330 PolarHBondContact O-N 3.25Å; L325-S345 VanDerWaalsContact O-CB 3.29Å; L325-S345 WeakPolarHBondContact O-CB 3.49Å; L325-L348 HydrophobicContact CD1-CB 4.22Å; L325-L348 HydrophobicContact CD1-CD1 4.38Å; L325-F352 HydrophobicContact CD1-CD2 4.21Å; L325-F352 HydrophobicContact CD1-CE2 3.74Å; L325-F352 HydrophobicContact CD1-CZ 4.31Å |
| 326 | Y | 97.5 | Very high | 97 | Very high | 17 Ų | 17 | 52 Ų | 52 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.9 | -51.9 | 176.7 | 174 | -98.7 | 0 | 0 | 0 | 112.5 | R273 R276 A277 G322 R329 H346 F349 | R273-Y326 HydrophobicContact CG-CD1 4.19Å; R273-Y326 HydrophobicContact CG-CE1 3.57Å; R276-Y326 PolarHBondContact NE-OH 3.01Å; R276-Y326 PolarHBondContact NH2-OH 3.39Å; A277-Y326 HydrophobicContact CB-CD1 4.19Å; A277-Y326 HydrophobicContact CB-CE1 4.5Å; G322-Y326 WeakPolarHBondContact O-CB 3.32Å; G322-Y326 PolarHBondContact O-N 3.49Å; G322-Y326 VanDerWaalsContact O-N 3.1Å; Y326-R329 PolarHBondContact O-N 3.37Å; Y326-H346 AromaticContact CD2-ND1 3.78Å; Y326-H346 AromaticContact CE2-CE1 3.91Å; Y326-H346 AromaticContact CE2-ND1 3.46Å; Y326-H346 WeakPolarHBondContact CE2-ND1 3.38Å; Y326-F349 HydrophobicContact CD2-CD1 4.27Å; Y326-F349 HydrophobicContact CD2-CG 4.47Å |
| 327 | A | 96.3 | Very high | 97.1 | Very high | 43 Ų | 43 | 51.6 Ų | 51.6 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A277 A323 A324 | A277-A327 HydrophobicContact CB-CB 3.9Å; A323-A327 VanDerWaalsContact O-CB 3.25Å; A323-A327 WeakPolarHBondContact O-CB 3.4Å; A323-A327 PolarHBondContact O-N 3.27Å; A324-A327 PolarHBondContact O-N 3.24Å |
| 328 | A | 96.8 | Very high | 97.1 | Very high | 33 Ų | 33 | 56.3 Ų | 56.3 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -85.8 | -10.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A324 I330 R333 | A324-A328 WeakPolarHBondContact O-CB 3.4Å; A324-A328 PolarHBondContact O-N 3.4Å; A328-I330 HydrophobicContact CB-CD1 3.73Å; A328-I330 HydrophobicContact CB-CG1 3.9Å; A328-R333 VanDerWaalsContact O-CD 3.25Å; A328-R333 WeakPolarHBondContact O-CD 3.42Å |
| 329 | R | 98 | Very high | 97.2 | Very high | 38 Ų | 38 | 55.7 Ų | 55.7 | 14% | 0.143 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 45.9 | -177.9 | -59.5 | -170.6 | -75.3 | 156.3 | -8.9 | 113.4 | N116 D117 Y118 L325 Y326 E332 R333 | N116-R329 WeakPolarHBondContact OD1-CD 3.48Å; N116-R329 PolarHBondContact OD1-NH1 3.29Å; D117-R329 IonicContact OD1-CZ 3.38Å; D117-R329 IonicContact OD1-NH1 2.64Å; D117-R329 PolarHBondContact OD1-NH1 2.9Å; D117-R329 IonicContact OD1-NH2 3.15Å; D117-R329 PolarHBondContact OD1-NH2 2.87Å; D117-R329 VanDerWaalsContact OD1-NH2 3.15Å; Y118-R329 HydrophobicContact CD2-CB 3.94Å; Y118-R329 HydrophobicContact CE2-CB 4.05Å; Y118-R329 VanDerWaalsContact CE2-CZ 3.4Å; L325-R329 WeakPolarHBondContact O-CA 3.19Å; L325-R329 PolarHBondContact O-N 3.23Å; Y326-R329 PolarHBondContact O-N 3.37Å; R329-E332 WeakPolarHBondContact CB-OE1 3.36Å; R329-E332 PolarHBondContact O-N 2.87Å; R329-R333 WeakPolarHBondContact O-CB 3.31Å; R329-R333 PolarHBondContact O-N 2.84Å |
| 330 | I | 98.2 | Very high | 97.5 | Very high | 50 Ų | 50 | 53.6 Ų | 53.6 | 26% | 0.256 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 132.4 | -179.9 | -68.5 | 174.5 | 0 | 0 | 0 | 108.7 | L325 A328 F334 S345 | L325-I330 HydrophobicContact CD2-CB 3.92Å; L325-I330 HydrophobicContact CD2-CG2 3.73Å; L325-I330 PolarHBondContact O-N 3.25Å; A328-I330 HydrophobicContact CB-CD1 3.73Å; A328-I330 HydrophobicContact CB-CG1 3.9Å; I330-F334 HydrophobicContact CB-CE2 4.37Å; I330-F334 HydrophobicContact CD1-CE2 3.92Å; I330-F334 HydrophobicContact CD1-CZ 4.05Å; I330-F334 HydrophobicContact CG1-CD2 4.49Å; I330-F334 HydrophobicContact CG1-CE2 3.74Å; I330-F334 HydrophobicContact CG1-CZ 4.14Å; I330-F334 HydrophobicContact CG2-CD2 4.33Å; I330-F334 HydrophobicContact CG2-CE2 3.88Å; I330-S345 VanDerWaalsContact O-CA 3.31Å; I330-S345 WeakPolarHBondContact O-CA 3.44Å; I330-S345 VanDerWaalsContact O-CB 3.24Å; I330-S345 WeakPolarHBondContact O-CB 3.21Å |
| 331 | P | 98.3 | Very high | 97.5 | Very high | 28 Ų | 28 | 51.4 Ų | 51.4 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -96.4 | -6.5 | 12.1 | 37.8 | -37.1 | 0 | 0 | 0 | 116.2 | R333 F334 F335 F343 | P331-R333 PolarHBondContact O-N 3.15Å; P331-R333 VanDerWaalsContact O-N 3.12Å; P331-F334 WeakPolarHBondContact O-CB 3.22Å; P331-F334 PolarHBondContact O-N 2.89Å; P331-F335 HydrophobicContact CB-CD2 4.45Å; P331-F335 PolarHBondContact O-N 3.48Å; P331-F343 WeakPolarHBondContact CD-O 3.39Å; P331-F343 WeakPolarHBondContact CG-O 3.36Å |
| 332 | E | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.4 | -172.1 | 69.1 | -84.6 | -160 | 0 | 0 | 113.6 | N116 Y118 L119 R329 F334 F335 P336 C339 S345 | N116-E332 PolarHBondContact ND2-OE1 3.31Å; Y118-E332 HydrophobicContact CD2-CG 4.15Å; Y118-E332 HydrophobicContact CG-CG 4.41Å; L119-E332 HydrophobicContact CD2-CB 4Å; L119-E332 HydrophobicContact CD2-CG 4.01Å; R329-E332 WeakPolarHBondContact CB-OE1 3.36Å; R329-E332 PolarHBondContact O-N 2.87Å; E332-F334 PolarHBondContact O-N 3.22Å; E332-F335 CarbonylContact O-C 3.57Å; E332-F335 PolarHBondContact O-N 2.88Å; E332-P336 WeakPolarHBondContact O-CA 3.32Å; E332-P336 VanDerWaalsContact O-CD 3.31Å; E332-P336 WeakPolarHBondContact O-CD 3.35Å; E332-C339 HydrophobicContact CB-CB 3.92Å; E332-S345 WeakPolarHBondContact OE1-CB 3.3Å; E332-S345 PolarHBondContact OE1-OG 2.91Å; E332-S345 WeakPolarHBondContact OE2-CB 3.43Å; E332-S345 PolarHBondContact OE2-N 3.39Å; E332-S345 PolarHBondContact OE2-OG 3.35Å |
| 333 | R | 97.9 | Very high | 97.6 | Very high | 134 Ų | 134 | 61 Ų | 61 | 51% | 0.506 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.5 | 170.4 | -176.7 | 172.5 | -162.3 | -156.5 | 5.5 | 114.1 | Y118 A328 R329 P331 | Y118-R333 HydrophobicContact CD2-CB 3.79Å; Y118-R333 HydrophobicContact CD2-CG 4.33Å; Y118-R333 HydrophobicContact CE2-CB 3.53Å; Y118-R333 HydrophobicContact CE2-CG 3.6Å; A328-R333 VanDerWaalsContact O-CD 3.25Å; A328-R333 WeakPolarHBondContact O-CD 3.42Å; R329-R333 WeakPolarHBondContact O-CB 3.31Å; R329-R333 PolarHBondContact O-N 2.84Å; P331-R333 PolarHBondContact O-N 3.15Å; P331-R333 VanDerWaalsContact O-N 3.12Å |
| 334 | F | 98 | Very high | 97.8 | Very high | 125 Ų | 125 | 60.5 Ų | 60.5 | 55% | 0.548 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -25.8 | 177.3 | -56.2 | -53.3 | 0 | 0 | 0 | 112.2 | I330 P331 E332 | I330-F334 HydrophobicContact CB-CE2 4.37Å; I330-F334 HydrophobicContact CD1-CE2 3.92Å; I330-F334 HydrophobicContact CD1-CZ 4.05Å; I330-F334 HydrophobicContact CG1-CD2 4.49Å; I330-F334 HydrophobicContact CG1-CE2 3.74Å; I330-F334 HydrophobicContact CG1-CZ 4.14Å; I330-F334 HydrophobicContact CG2-CD2 4.33Å; I330-F334 HydrophobicContact CG2-CE2 3.88Å; P331-F334 WeakPolarHBondContact O-CB 3.22Å; P331-F334 PolarHBondContact O-N 2.89Å; E332-F334 PolarHBondContact O-N 3.22Å |
| 335 | F | 97.3 | Very high | 97.8 | Very high | 125 Ų | 125 | 58.1 Ų | 58.1 | 55% | 0.548 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -134.1 | 65.8 | -178.4 | -46.8 | -71.8 | 0 | 0 | 0 | 112.7 | P331 E332 G337 K338 | P331-F335 HydrophobicContact CB-CD2 4.45Å; P331-F335 PolarHBondContact O-N 3.48Å; E332-F335 CarbonylContact O-C 3.57Å; E332-F335 PolarHBondContact O-N 2.88Å; F335-G337 PolarHBondContact O-N 3.29Å; F335-K338 HydrophobicContact CB-CB 3.84Å; F335-K338 HydrophobicContact CB-CG 4.05Å; F335-K338 WeakPolarHBondContact O-CB 3.41Å; F335-K338 PolarHBondContact O-N 3.2Å; F335-K338 VanDerWaalsContact O-N 3.08Å |
| 336 | P | 97.8 | Very high | 97.8 | Very high | 59 Ų | 59 | 57.9 Ų | 57.9 | 38% | 0.383 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 139 | 178.2 | -24.4 | 34.9 | 0 | 0 | 0 | 111.5 | Y118 L120 E332 K338 | Y118-P336 HydrophobicContact CD1-CG 4.44Å; Y118-P336 WeakPolarHBondContact O-CA 3.25Å; L120-P336 HydrophobicContact CD1-CB 4.14Å; L120-P336 HydrophobicContact CG-CB 4.42Å; E332-P336 WeakPolarHBondContact O-CA 3.32Å; E332-P336 VanDerWaalsContact O-CD 3.31Å; E332-P336 WeakPolarHBondContact O-CD 3.35Å; P336-K338 PolarHBondContact O-N 3.16Å |
| 337 | G | 96.4 | Very high | 97.9 | Very high | 27 Ų | 27 | 58.1 Ų | 58.1 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 5.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y118 F335 D340 | Y118-G337 PolarHBondContact O-N 2.85Å; F335-G337 PolarHBondContact O-N 3.29Å; G337-D340 WeakPolarHBondContact CA-OD1 3.39Å; G337-D340 PolarHBondContact N-OD1 3.31Å |
| 338 | K | 97.8 | Very high | 98 | Very high | 174 Ų | 174 | 58.2 Ų | 58.2 | 76% | 0.757 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -26.2 | 176.6 | -56.6 | -58.2 | 179.9 | -170.8 | 0 | 113.7 | F335 P336 | F335-K338 HydrophobicContact CB-CB 3.84Å; F335-K338 HydrophobicContact CB-CG 4.05Å; F335-K338 WeakPolarHBondContact O-CB 3.41Å; F335-K338 PolarHBondContact O-N 3.2Å; F335-K338 VanDerWaalsContact O-N 3.08Å; P336-K338 PolarHBondContact O-N 3.16Å |
| 339 | C | 97.8 | Very high | 98.1 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 10% | 0.101 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -104.3 | 16.3 | 177.9 | -61.5 | 0 | 0 | 0 | 0 | 112.9 | E332 I341 W342 H344 | E332-C339 HydrophobicContact CB-CB 3.92Å; C339-I341 PolarHBondContact O-N 2.96Å; C339-I341 VanDerWaalsContact O-N 3.11Å; C339-W342 WeakPolarHBondContact CA-O 3.31Å; C339-W342 PolarHBondContact O-N 2.91Å; C339-H344 HydrophobicContact CB-CB 4.27Å; C339-H344 WeakPolarHBondContact O-CB 3.47Å; C339-H344 PolarHBondContact O-ND1 3.42Å |
| 340 | D | 97.9 | Very high | 98.1 | Very high | 18 Ų | 18 | 56.8 Ų | 56.8 | 10% | 0.096 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -53.4 | -34.5 | -173.3 | -74.3 | 3 | 0 | 0 | 0 | 114.5 | L119 L120 H121 T142 G337 | L119-D340 WeakPolarHBondContact CA-OD1 3.29Å; L120-D340 PolarHBondContact N-OD1 3.4Å; L120-D340 PolarHBondContact N-OD2 2.97Å; H121-D340 WeakPolarHBondContact CA-OD2 3.45Å; H121-D340 PolarHBondContact N-OD2 3.4Å; T142-D340 VanDerWaalsContact CA-O 3.28Å; T142-D340 WeakPolarHBondContact CA-O 3.37Å; T142-D340 WeakPolarHBondContact CB-O 3.46Å; T142-D340 WeakPolarHBondContact CG2-O 3.22Å; G337-D340 WeakPolarHBondContact CA-OD1 3.39Å; G337-D340 PolarHBondContact N-OD1 3.31Å |
| 341 | I | 98.2 | Very high | 98.1 | Very high | 35 Ų | 35 | 58 Ų | 58 | 18% | 0.179 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -111.3 | -31.2 | -176.4 | -51.2 | -60.6 | 0 | 0 | 0 | 112.1 | I140 C339 | I140-I341 HydrophobicContact CG2-CD1 4.46Å; I140-I341 HydrophobicContact CG2-CG1 4.48Å; I140-I341 HydrophobicContact CG2-CG2 3.52Å; C339-I341 PolarHBondContact O-N 2.96Å; C339-I341 VanDerWaalsContact O-N 3.11Å |
| 342 | W | 98.4 | Very high | 98.2 | Very high | 126 Ų | 126 | 59.3 Ų | 59.3 | 48% | 0.477 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -139.3 | 138.4 | -167.2 | -58.3 | 124.5 | 0 | 0 | 0 | 111.8 | C339 H344 | C339-W342 WeakPolarHBondContact CA-O 3.31Å; C339-W342 PolarHBondContact O-N 2.91Å; W342-H344 VanDerWaalsContact C-N 3.25Å; W342-H344 PolarHBondContact O-N 3.35Å |
| 343 | F | 98.2 | Very high | 98.2 | Very high | 139 Ų | 139 | 60.5 Ų | 60.5 | 61% | 0.61 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 63.7 | 17.6 | 174 | -49.3 | -70.8 | 0 | 0 | 0 | 115.8 | P331 L348 | P331-F343 WeakPolarHBondContact CD-O 3.39Å; P331-F343 WeakPolarHBondContact CG-O 3.36Å; F343-L348 HydrophobicContact CD1-CD2 4.27Å |
| 344 | H | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | trans | -65.4 | 156.1 | 164.3 | 53.1 | -76 | 0 | 0 | 0 | 112.4 | L119 T142 N146 C339 W342 H346 Q347 L348 | L119-H344 HydrophobicContact CD2-CB 3.77Å; T142-H344 PolarHBondContact O-CE1 3.05Å; N146-H344 PolarHBondContact OD1-NE2 3.32Å; C339-H344 HydrophobicContact CB-CB 4.27Å; C339-H344 WeakPolarHBondContact O-CB 3.47Å; C339-H344 PolarHBondContact O-ND1 3.42Å; W342-H344 VanDerWaalsContact C-N 3.25Å; W342-H344 PolarHBondContact O-N 3.35Å; H344-H346 VanDerWaalsContact C-N 3.25Å; H344-H346 PolarHBondContact O-N 2.92Å; H344-H346 VanDerWaalsContact O-N 3.1Å; H344-Q347 PolarHBondContact O-N 3.4Å; H344-L348 PolarHBondContact O-N 2.9Å | ||
| 345 | S | 98.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -49.4 | -40.2 | -173.3 | 63 | 0 | 0 | 0 | 0 | 114.7 | L325 I330 E332 L348 F349 | L325-S345 VanDerWaalsContact O-CB 3.29Å; L325-S345 WeakPolarHBondContact O-CB 3.49Å; I330-S345 VanDerWaalsContact O-CA 3.31Å; I330-S345 WeakPolarHBondContact O-CA 3.44Å; I330-S345 VanDerWaalsContact O-CB 3.24Å; I330-S345 WeakPolarHBondContact O-CB 3.21Å; E332-S345 WeakPolarHBondContact OE1-CB 3.3Å; E332-S345 PolarHBondContact OE1-OG 2.91Å; E332-S345 WeakPolarHBondContact OE2-CB 3.43Å; E332-S345 PolarHBondContact OE2-N 3.39Å; E332-S345 PolarHBondContact OE2-OG 3.35Å; S345-L348 PolarHBondContact O-N 2.9Å; S345-F349 WeakPolarHBondContact O-CB 3.37Å; S345-F349 PolarHBondContact O-N 3.23Å |
| 346 | H | 98.5 | Very high | 98.3 | Very high | 25 Ų | 25 | 45.7 Ų | 45.7 | 12% | 0.116 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.8 | -38.9 | -179.2 | -159.1 | 98.9 | 0 | 0 | 0 | 112.3 | H200 Y326 H344 F349 H350 | H200-H346 AromaticContact CE1-CD2 3.63Å; H200-H346 AromaticContact CE1-CE1 3.91Å; H200-H346 AromaticContact CE1-NE2 3.15Å; H200-H346 PolarHBondContact CE1-NE2 3.4Å; H200-H346 AromaticContact NE2-CD2 3.82Å; H200-H346 AromaticContact NE2-CE1 3.92Å; H200-H346 AromaticContact NE2-NE2 3.04Å; H200-H346 PolarHBondContact NE2-NE2 2.95Å; Y326-H346 AromaticContact CD2-ND1 3.78Å; Y326-H346 AromaticContact CE2-CE1 3.91Å; Y326-H346 AromaticContact CE2-ND1 3.46Å; Y326-H346 WeakPolarHBondContact CE2-ND1 3.38Å; H344-H346 VanDerWaalsContact C-N 3.25Å; H344-H346 PolarHBondContact O-N 2.92Å; H344-H346 VanDerWaalsContact O-N 3.1Å; H346-F349 PolarHBondContact O-N 3.05Å; H346-H350 AromaticContact CD2-CD2 3.6Å; H346-H350 AromaticContact CD2-CE1 3.98Å; H346-H350 AromaticContact CD2-NE2 3.28Å; H346-H350 PolarHBondContact CD2-NE2 3.3Å; H346-H350 VanDerWaalsContact CD2-NE2 3.28Å; H346-H350 AromaticContact NE2-CD2 3.61Å; H346-H350 AromaticContact NE2-CE1 3.82Å; H346-H350 AromaticContact NE2-NE2 2.93Å; H346-H350 PolarHBondContact NE2-NE2 3.42Å; H346-H350 PolarHBondContact O-CD2 2.76Å; H346-H350 VanDerWaalsContact O-CD2 3.26Å; H346-H350 PolarHBondContact O-N 3.11Å |
| 347 | Q | 98.6 | Very high | 98.3 | Very high | 21 Ų | 21 | 43.2 Ų | 43.2 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.4 | -40.7 | 172.9 | -172 | -172.7 | 16.2 | 0 | 0 | 110.9 | N146 T149 H344 H350 V351 | N146-Q347 WeakPolarHBondContact OD1-CA 3.37Å; N146-Q347 PolarHBondContact OD1-N 3.11Å; T149-Q347 HydrophobicContact CG2-CG 4.33Å; H344-Q347 PolarHBondContact O-N 3.4Å; Q347-H350 PolarHBondContact O-N 3.29Å; Q347-V351 PolarHBondContact O-N 2.88Å |
| 348 | L | 98.6 | Very high | 98.4 | Very high | 45 Ų | 45 | 46.1 Ų | 46.1 | 24% | 0.236 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -45.2 | 175.1 | -62.7 | -180 | 0 | 0 | 0 | 110.8 | L325 F343 H344 S345 H350 V351 F352 | L325-L348 HydrophobicContact CD1-CB 4.22Å; L325-L348 HydrophobicContact CD1-CD1 4.38Å; F343-L348 HydrophobicContact CD1-CD2 4.27Å; H344-L348 PolarHBondContact O-N 2.9Å; S345-L348 PolarHBondContact O-N 2.9Å; L348-H350 VanDerWaalsContact C-N 3.31Å; L348-H350 PolarHBondContact O-N 2.96Å; L348-V351 WeakPolarHBondContact O-CB 3.1Å; L348-V351 PolarHBondContact O-N 2.85Å; L348-F352 WeakPolarHBondContact O-CD2 3.38Å; L348-F352 PolarHBondContact O-N 3.42Å |
| 349 | F | 98.5 | Very high | 98.4 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 17% | 0.171 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.3 | -43.3 | 175.4 | 175.1 | -114 | 0 | 0 | 0 | 112.2 | G322 Y326 S345 H346 V351 F352 V353 | G322-F349 WeakPolarHBondContact O-CD2 3.46Å; Y326-F349 HydrophobicContact CD2-CD1 4.27Å; Y326-F349 HydrophobicContact CD2-CG 4.47Å; S345-F349 WeakPolarHBondContact O-CB 3.37Å; S345-F349 PolarHBondContact O-N 3.23Å; H346-F349 PolarHBondContact O-N 3.05Å; F349-V351 VanDerWaalsContact C-N 3.34Å; F349-V351 PolarHBondContact O-N 2.92Å; F349-F352 CarbonylContact O-C 3.51Å; F349-F352 WeakPolarHBondContact O-CB 3.16Å; F349-F352 PolarHBondContact O-N 3.29Å; F349-F352 VanDerWaalsContact O-N 3.13Å; F349-V353 HydrophobicContact CD1-CG2 4.48Å; F349-V353 HydrophobicContact CD2-CG2 4.33Å; F349-V353 HydrophobicContact CE1-CG2 4.04Å; F349-V353 HydrophobicContact CE2-CG2 3.88Å; F349-V353 HydrophobicContact CZ-CG2 3.72Å; F349-V353 WeakPolarHBondContact O-CG2 3.5Å; F349-V353 PolarHBondContact O-N 3.21Å |
| 350 | H | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.9 | -42 | 174.2 | -77 | -150.8 | 0 | 0 | 0 | 112.9 | N146 T149 H150 H200 H346 Q347 L348 F352 V353 V354 | N146-H350 PolarHBondContact O-CE1 3.15Å; N146-H350 PolarHBondContact O-ND1 2.8Å; T149-H350 VanDerWaalsContact OG1-CB 3.31Å; T149-H350 WeakPolarHBondContact OG1-CB 3.32Å; T149-H350 PolarHBondContact OG1-ND1 3.38Å; H150-H350 AromaticContact CD2-CG 3.82Å; H150-H350 AromaticContact CD2-ND1 3.78Å; H150-H350 AromaticContact CE1-CD2 3.39Å; H150-H350 PolarHBondContact CE1-CD2 3.19Å; H150-H350 AromaticContact CE1-CE1 3.6Å; H150-H350 AromaticContact CE1-CG 3.36Å; H150-H350 AromaticContact CE1-ND1 3.51Å; H150-H350 AromaticContact CE1-NE2 3.54Å; H150-H350 AromaticContact CG-CE1 3.88Å; H150-H350 AromaticContact CG-CG 3.96Å; H150-H350 AromaticContact CG-ND1 3.48Å; H150-H350 AromaticContact ND1-CD2 3.88Å; H150-H350 AromaticContact ND1-CE1 3.26Å; H150-H350 PolarHBondContact ND1-CE1 3.34Å; H150-H350 VanDerWaalsContact ND1-CE1 3.26Å; H150-H350 AromaticContact ND1-CG 3.67Å; H150-H350 AromaticContact ND1-ND1 3.29Å; H150-H350 PolarHBondContact ND1-ND1 2.85Å; H150-H350 AromaticContact ND1-NE2 3.63Å; H150-H350 WeakPolarHBondContact NE2-CA 3.19Å; H150-H350 WeakPolarHBondContact NE2-CB 3.1Å; H150-H350 AromaticContact NE2-CD2 3.87Å; H150-H350 AromaticContact NE2-CG 3.47Å; H150-H350 AromaticContact NE2-ND1 3.83Å; H150-H350 PolarHBondContact NE2-O 3.45Å; H200-H350 AromaticContact CD2-CE1 3.5Å; H200-H350 PolarHBondContact CD2-CE1 2.91Å; H200-H350 VanDerWaalsContact CD2-CE1 3.5Å; H200-H350 AromaticContact CD2-NE2 3.97Å; H200-H350 AromaticContact NE2-CE1 3.48Å; H200-H350 PolarHBondContact NE2-CE1 3.2Å; H200-H350 AromaticContact NE2-NE2 3.49Å; H200-H350 PolarHBondContact NE2-NE2 3.09Å; H346-H350 AromaticContact CD2-CD2 3.6Å; H346-H350 AromaticContact CD2-CE1 3.98Å; H346-H350 AromaticContact CD2-NE2 3.28Å; H346-H350 PolarHBondContact CD2-NE2 3.3Å; H346-H350 VanDerWaalsContact CD2-NE2 3.28Å; H346-H350 AromaticContact NE2-CD2 3.61Å; H346-H350 AromaticContact NE2-CE1 3.82Å; H346-H350 AromaticContact NE2-NE2 2.93Å; H346-H350 PolarHBondContact NE2-NE2 3.42Å; H346-H350 PolarHBondContact O-CD2 2.76Å; H346-H350 VanDerWaalsContact O-CD2 3.26Å; H346-H350 PolarHBondContact O-N 3.11Å; Q347-H350 PolarHBondContact O-N 3.29Å; L348-H350 VanDerWaalsContact C-N 3.31Å; L348-H350 PolarHBondContact O-N 2.96Å; H350-F352 VanDerWaalsContact C-N 3.35Å; H350-V353 PolarHBondContact O-N 3.5Å; H350-V354 WeakPolarHBondContact O-CG2 3.36Å; H350-V354 PolarHBondContact O-N 2.84Å |
| 351 | V | 98.7 | Very high | 98.4 | Very high | 76 Ų | 76 | 39.1 Ų | 39.1 | 46% | 0.461 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64 | -40.4 | 174.9 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | T149 Q347 L348 F349 V354 A355 | T149-V351 HydrophobicContact CG2-CG2 3.83Å; Q347-V351 PolarHBondContact O-N 2.88Å; L348-V351 WeakPolarHBondContact O-CB 3.1Å; L348-V351 PolarHBondContact O-N 2.85Å; F349-V351 VanDerWaalsContact C-N 3.34Å; F349-V351 PolarHBondContact O-N 2.92Å; V351-V354 PolarHBondContact O-N 3.42Å; V351-A355 VanDerWaalsContact O-CB 3.25Å; V351-A355 WeakPolarHBondContact O-CB 3.2Å; V351-A355 PolarHBondContact O-N 3.22Å |
| 352 | F | 98.5 | Very high | 98.3 | Very high | 56 Ų | 56 | 40.9 Ų | 40.9 | 25% | 0.246 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65 | -35.9 | 174.6 | -88.4 | -96.3 | 0 | 0 | 0 | 113 | L318 T321 L325 L348 F349 H350 G356 | L318-F352 HydrophobicContact CB-CD1 4.29Å; L318-F352 HydrophobicContact CD2-CD1 3.68Å; L318-F352 HydrophobicContact CD2-CE1 3.74Å; L318-F352 WeakPolarHBondContact O-CD1 3.32Å; T321-F352 HydrophobicContact CG2-CE1 3.62Å; T321-F352 HydrophobicContact CG2-CE2 4.35Å; T321-F352 HydrophobicContact CG2-CZ 3.49Å; T321-F352 VanDerWaalsContact CG2-CZ 3.49Å; L325-F352 HydrophobicContact CD1-CD2 4.21Å; L325-F352 HydrophobicContact CD1-CE2 3.74Å; L325-F352 HydrophobicContact CD1-CZ 4.31Å; L348-F352 WeakPolarHBondContact O-CD2 3.38Å; L348-F352 PolarHBondContact O-N 3.42Å; F349-F352 CarbonylContact O-C 3.51Å; F349-F352 WeakPolarHBondContact O-CB 3.16Å; F349-F352 PolarHBondContact O-N 3.29Å; F349-F352 VanDerWaalsContact O-N 3.13Å; H350-F352 VanDerWaalsContact C-N 3.35Å; F352-G356 PolarHBondContact O-N 3.42Å |
| 353 | V | 98.6 | Very high | 98.1 | Very high | 25 Ų | 25 | 35.3 Ų | 35.3 | 15% | 0.152 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.7 | -48.5 | 174.3 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | L193 L224 F349 H350 G356 A357 | L193-V353 HydrophobicContact CD2-CG1 4.34Å; L224-V353 HydrophobicContact CD2-CG1 3.98Å; F349-V353 HydrophobicContact CD1-CG2 4.48Å; F349-V353 HydrophobicContact CD2-CG2 4.33Å; F349-V353 HydrophobicContact CE1-CG2 4.04Å; F349-V353 HydrophobicContact CE2-CG2 3.88Å; F349-V353 HydrophobicContact CZ-CG2 3.72Å; F349-V353 WeakPolarHBondContact O-CG2 3.5Å; F349-V353 PolarHBondContact O-N 3.21Å; H350-V353 PolarHBondContact O-N 3.5Å; V353-G356 PolarHBondContact O-N 3.45Å; V353-A357 WeakPolarHBondContact O-CB 3.24Å; V353-A357 PolarHBondContact O-N 2.63Å |
| 354 | V | 98.7 | Very high | 98.1 | Very high | 33 Ų | 33 | 28.8 Ų | 28.8 | 20% | 0.2 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.2 | -44 | 178.4 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | F157 L193 H350 V351 A357 F358 | F157-V354 HydrophobicContact CE2-CG1 4.4Å; L193-V354 HydrophobicContact CD2-CG2 3.94Å; H350-V354 WeakPolarHBondContact O-CG2 3.36Å; H350-V354 PolarHBondContact O-N 2.84Å; V351-V354 PolarHBondContact O-N 3.42Å; V354-A357 PolarHBondContact O-N 3.22Å; V354-F358 PolarHBondContact O-N 3.4Å; V354-F358 VanDerWaalsContact O-N 3.11Å |
| 355 | A | 98.4 | Very high | 97.9 | Very high | 38 Ų | 38 | 29.1 Ų | 29.1 | 31% | 0.314 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V351 F358 V359 | V351-A355 VanDerWaalsContact O-CB 3.25Å; V351-A355 WeakPolarHBondContact O-CB 3.2Å; V351-A355 PolarHBondContact O-N 3.22Å; A355-F358 PolarHBondContact O-N 2.99Å; A355-V359 WeakPolarHBondContact O-CG2 3.43Å; A355-V359 PolarHBondContact O-N 3.12Å |
| 356 | G | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 32 Ų | 32 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M315 F352 V353 F358 V359 H360 | M315-G356 WeakPolarHBondContact CE-O 3.32Å; F352-G356 PolarHBondContact O-N 3.42Å; V353-G356 PolarHBondContact O-N 3.45Å; G356-F358 VanDerWaalsContact C-N 3.26Å; G356-F358 PolarHBondContact O-N 3.48Å; G356-V359 PolarHBondContact O-N 3.48Å; G356-H360 VanDerWaalsContact O-CB 3.31Å; G356-H360 WeakPolarHBondContact O-CB 3.44Å; G356-H360 PolarHBondContact O-N 3.3Å |
| 357 | A | 98.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 5% | 0.05 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.8 | -36 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F157 F185 L224 V353 V354 F361 | F157-A357 HydrophobicContact CE1-CB 4.16Å; F157-A357 HydrophobicContact CE2-CB 3.86Å; F157-A357 HydrophobicContact CZ-CB 3.46Å; F157-A357 VanDerWaalsContact CZ-CB 3.46Å; F185-A357 HydrophobicContact CZ-CB 4.46Å; F185-A357 WeakPolarHBondContact CZ-O 3.46Å; L224-A357 HydrophobicContact CD1-CB 4.42Å; V353-A357 WeakPolarHBondContact O-CB 3.24Å; V353-A357 PolarHBondContact O-N 2.63Å; V354-A357 PolarHBondContact O-N 3.22Å; A357-F361 WeakPolarHBondContact O-CB 3.5Å; A357-F361 PolarHBondContact O-N 2.89Å |
| 358 | F | 98.4 | Very high | 97.3 | Very high | 89 Ų | 89 | 30.2 Ų | 30.2 | 39% | 0.39 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -75.5 | -42 | 179.1 | -178.9 | -109.1 | 0 | 0 | 0 | 112.6 | F156 F157 L160 V354 A355 G356 H360 F361 H362 | F156-F358 AromaticContact CE1-CD2 3.78Å; F156-F358 HydrophobicContact CE1-CD2 3.78Å; F156-F358 HydrophobicContact CE1-CE2 4.38Å; F156-F358 HydrophobicContact CE1-CG 4.48Å; F156-F358 AromaticContact CZ-CD2 3.7Å; F156-F358 HydrophobicContact CZ-CD2 3.7Å; F156-F358 AromaticContact CZ-CE2 3.84Å; F156-F358 HydrophobicContact CZ-CE2 3.84Å; F157-F358 HydrophobicContact CZ-CB 4.15Å; L160-F358 HydrophobicContact CD2-CD2 4.44Å; V354-F358 PolarHBondContact O-N 3.4Å; V354-F358 VanDerWaalsContact O-N 3.11Å; A355-F358 PolarHBondContact O-N 2.99Å; G356-F358 VanDerWaalsContact C-N 3.26Å; G356-F358 PolarHBondContact O-N 3.48Å; F358-H360 VanDerWaalsContact C-N 3.3Å; F358-H360 PolarHBondContact O-N 3.13Å; F358-F361 HydrophobicContact CD2-CD1 4.48Å; F358-F361 HydrophobicContact CE2-CD1 4.45Å; F358-F361 PolarHBondContact O-N 3.41Å; F358-H362 WeakPolarHBondContact O-CB 3.42Å; F358-H362 PolarHBondContact O-N 3.02Å |
| 359 | V | 97.7 | Very high | 97.1 | Very high | 22 Ų | 22 | 32.4 Ų | 32.4 | 13% | 0.133 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -38.9 | 173.6 | 171 | 0 | 0 | 0 | 0 | 111 | W311 L314 M315 L318 A355 G356 H362 G363 | W311-V359 HydrophobicContact CE3-CG1 3.88Å; W311-V359 HydrophobicContact CZ3-CG1 4.24Å; L314-V359 HydrophobicContact CB-CG1 4.5Å; L314-V359 HydrophobicContact CD2-CG1 3.72Å; L314-V359 HydrophobicContact CD2-CG2 4.22Å; L314-V359 HydrophobicContact CG-CG1 3.99Å; M315-V359 HydrophobicContact CG-CG1 4.1Å; M315-V359 HydrophobicContact SD-CB 3.85Å; M315-V359 HydrophobicContact SD-CG1 3.69Å; L318-V359 HydrophobicContact CD1-CB 4.13Å; L318-V359 HydrophobicContact CD1-CG1 4.37Å; L318-V359 HydrophobicContact CD1-CG2 3.94Å; A355-V359 WeakPolarHBondContact O-CG2 3.43Å; A355-V359 PolarHBondContact O-N 3.12Å; G356-V359 PolarHBondContact O-N 3.48Å; V359-H362 PolarHBondContact O-N 3.27Å; V359-G363 PolarHBondContact O-N 2.95Å |
| 360 | H | 97.8 | Very high | 96.8 | Very high | 23 Ų | 23 | 33.9 Ų | 33.9 | 11% | 0.106 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.2 | -51.1 | 171.9 | 177.5 | 80.6 | 0 | 0 | 0 | 111.6 | F185 S228 M315 G356 F358 H362 G363 V364 | F185-H360 AromaticContact CD2-CD2 3.66Å; F185-H360 AromaticContact CE2-CD2 3.55Å; S228-H360 PolarHBondContact O-CE1 3.19Å; S228-H360 PolarHBondContact O-NE2 3.43Å; S228-H360 VanDerWaalsContact O-NE2 3.09Å; M315-H360 HydrophobicContact CE-CB 3.81Å; M315-H360 HydrophobicContact SD-CB 3.88Å; M315-H360 PolarHBondContact SD-N 3.36Å; M315-H360 VanDerWaalsContact SD-N 3.44Å; G356-H360 VanDerWaalsContact O-CB 3.31Å; G356-H360 WeakPolarHBondContact O-CB 3.44Å; G356-H360 PolarHBondContact O-N 3.3Å; F358-H360 VanDerWaalsContact C-N 3.3Å; F358-H360 PolarHBondContact O-N 3.13Å; H360-H362 VanDerWaalsContact C-N 3.27Å; H360-H362 PolarHBondContact O-N 2.99Å; H360-G363 PolarHBondContact O-N 2.87Å; H360-G363 VanDerWaalsContact O-N 3.1Å; H360-V364 PolarHBondContact O-N 2.89Å |
| 361 | F | 97.8 | Very high | 96.5 | Very high | 15 Ų | 15 | 35.1 Ų | 35.1 | 7% | 0.066 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56 | -41.5 | 177.8 | 172.7 | -104.3 | 0 | 0 | 0 | 112.2 | L160 Y164 V182 F185 F186 A357 F358 V364 S365 | L160-F361 HydrophobicContact CD1-CE1 4.06Å; L160-F361 HydrophobicContact CD1-CZ 4.36Å; L160-F361 HydrophobicContact CD2-CD1 3.8Å; L160-F361 HydrophobicContact CD2-CE1 3.81Å; L160-F361 HydrophobicContact CD2-CG 4.37Å; L160-F361 HydrophobicContact CD2-CZ 4.4Å; L160-F361 HydrophobicContact CG-CE1 4.13Å; L160-F361 HydrophobicContact CG-CZ 4.32Å; Y164-F361 AromaticContact CD2-CE2 3.87Å; Y164-F361 HydrophobicContact CD2-CE2 3.87Å; Y164-F361 AromaticContact CD2-CZ 3.93Å; Y164-F361 HydrophobicContact CD2-CZ 3.93Å; Y164-F361 HydrophobicContact CE2-CE2 4.15Å; Y164-F361 HydrophobicContact CE2-CZ 4.38Å; V182-F361 HydrophobicContact CG1-CE2 4.31Å; F185-F361 HydrophobicContact CD1-CD2 4.41Å; F185-F361 HydrophobicContact CE1-CB 3.79Å; F185-F361 AromaticContact CE1-CD2 3.97Å; F185-F361 HydrophobicContact CE1-CD2 3.97Å; F185-F361 HydrophobicContact CE1-CG 4.27Å; F185-F361 HydrophobicContact CZ-CB 4.03Å; F186-F361 HydrophobicContact CE1-CD2 4.38Å; F186-F361 HydrophobicContact CE1-CE2 4.45Å; F186-F361 HydrophobicContact CE2-CD2 4.16Å; F186-F361 AromaticContact CE2-CE2 3.77Å; F186-F361 HydrophobicContact CE2-CE2 3.77Å; F186-F361 AromaticContact CZ-CD2 3.67Å; F186-F361 HydrophobicContact CZ-CD2 3.67Å; F186-F361 AromaticContact CZ-CE2 3.39Å; F186-F361 HydrophobicContact CZ-CE2 3.39Å; F186-F361 HydrophobicContact CZ-CZ 4.03Å; A357-F361 WeakPolarHBondContact O-CB 3.5Å; A357-F361 PolarHBondContact O-N 2.89Å; F358-F361 HydrophobicContact CD2-CD1 4.48Å; F358-F361 HydrophobicContact CE2-CD1 4.45Å; F358-F361 PolarHBondContact O-N 3.41Å; F361-V364 WeakPolarHBondContact O-CG2 3.34Å; F361-S365 WeakPolarHBondContact CE2-OG 3.23Å; F361-S365 WeakPolarHBondContact CZ-OG 3.39Å; F361-S365 VanDerWaalsContact O-CB 3.31Å; F361-S365 WeakPolarHBondContact O-CB 3.37Å; F361-S365 PolarHBondContact O-N 3.49Å; F361-S365 PolarHBondContact O-OG 3.46Å |
| 362 | H | 96.4 | Very high | 96.3 | Very high | 71 Ų | 71 | 36 Ų | 36 | 33% | 0.329 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.1 | -49.6 | 174.5 | -171.1 | -77.7 | 0 | 0 | 0 | 111.1 | W311 F358 V359 H360 V364 S365 N366 | W311-H362 AromaticContact CE2-ND1 3.76Å; W311-H362 AromaticContact CH2-CE1 3.56Å; W311-H362 AromaticContact CH2-ND1 3.39Å; W311-H362 WeakPolarHBondContact CH2-ND1 3.31Å; W311-H362 AromaticContact CZ2-CE1 3.35Å; W311-H362 WeakPolarHBondContact CZ2-CE1 3.03Å; W311-H362 AromaticContact CZ2-ND1 3.27Å; W311-H362 VanDerWaalsContact CZ2-ND1 3.27Å; W311-H362 WeakPolarHBondContact CZ2-ND1 3.2Å; W311-H362 AromaticContact CZ3-ND1 3.97Å; F358-H362 WeakPolarHBondContact O-CB 3.42Å; F358-H362 PolarHBondContact O-N 3.02Å; V359-H362 PolarHBondContact O-N 3.27Å; H360-H362 VanDerWaalsContact C-N 3.27Å; H360-H362 PolarHBondContact O-N 2.99Å; H362-V364 PolarHBondContact O-N 3.25Å; H362-S365 PolarHBondContact O-N 3.31Å; H362-S365 VanDerWaalsContact O-N 3.16Å; H362-N366 PolarHBondContact CE1-OD1 3.36Å; H362-N366 PolarHBondContact ND1-OD1 3.47Å; H362-N366 PolarHBondContact O-N 2.75Å; H362-N366 PolarHBondContact O-OD1 3.04Å |
| 363 | G | 95.5 | Very high | 96 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 9% | 0.093 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56 | -44.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V359 H360 L367 | V359-G363 PolarHBondContact O-N 2.95Å; H360-G363 PolarHBondContact O-N 2.87Å; H360-G363 VanDerWaalsContact O-N 3.1Å; G363-L367 WeakPolarHBondContact O-CG 3.48Å; G363-L367 PolarHBondContact O-N 3.31Å |
| 364 | V | 96.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -77 | -24.4 | 177.3 | -58.2 | 0 | 0 | 0 | 0 | 113.6 | P231 W232 H360 F361 H362 L367 Q368 | P231-V364 HydrophobicContact CB-CB 4.35Å; P231-V364 HydrophobicContact CB-CG1 4.42Å; P231-V364 HydrophobicContact CB-CG2 4.43Å; P231-V364 HydrophobicContact CG-CG1 4.28Å; P231-V364 HydrophobicContact CG-CG2 4.31Å; W232-V364 HydrophobicContact CB-CG1 3.88Å; H360-V364 PolarHBondContact O-N 2.89Å; F361-V364 WeakPolarHBondContact O-CG2 3.34Å; H362-V364 PolarHBondContact O-N 3.25Å; V364-L367 PolarHBondContact O-N 2.95Å; V364-Q368 PolarHBondContact O-N 3.3Å |
| 365 | S | 95.4 | Very high | 95.2 | Very high | 8 Ų | 8 | 41 Ų | 41 | 6% | 0.056 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.3 | -43.3 | 170.8 | -61.7 | 0 | 0 | 0 | 0 | 111.2 | F361 H362 L367 Q368 E369 | F361-S365 WeakPolarHBondContact CE2-OG 3.23Å; F361-S365 WeakPolarHBondContact CZ-OG 3.39Å; F361-S365 VanDerWaalsContact O-CB 3.31Å; F361-S365 WeakPolarHBondContact O-CB 3.37Å; F361-S365 PolarHBondContact O-N 3.49Å; F361-S365 PolarHBondContact O-OG 3.46Å; H362-S365 PolarHBondContact O-N 3.31Å; H362-S365 VanDerWaalsContact O-N 3.16Å; S365-L367 VanDerWaalsContact C-N 3.26Å; S365-L367 PolarHBondContact O-N 2.9Å; S365-Q368 WeakPolarHBondContact O-CB 3.39Å; S365-Q368 PolarHBondContact O-N 2.73Å; S365-Q368 VanDerWaalsContact O-N 3.12Å; S365-E369 WeakPolarHBondContact O-CG 3.02Å; S365-E369 PolarHBondContact O-N 3.15Å |
| 366 | N | 94.2 | Very high | 94.8 | Very high | 63 Ų | 63 | 41.1 Ų | 41.1 | 34% | 0.337 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63 | -33.1 | 174.4 | -72.6 | 43.8 | 0 | 0 | 0 | 112.2 | H362 F370 | H362-N366 PolarHBondContact CE1-OD1 3.36Å; H362-N366 PolarHBondContact ND1-OD1 3.47Å; H362-N366 PolarHBondContact O-N 2.75Å; H362-N366 PolarHBondContact O-OD1 3.04Å; N366-F370 WeakPolarHBondContact O-CB 3.34Å; N366-F370 PolarHBondContact O-N 3.31Å |
| 367 | L | 94 | Very high | 94.5 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.3 | -36.3 | 172.8 | -73.3 | 170.6 | 0 | 0 | 0 | 113 | Y235 M306 Q308 G363 V364 S365 R371 | Y235-L367 HydrophobicContact CD2-CB 4.06Å; Y235-L367 HydrophobicContact CG-CB 4.04Å; M306-L367 HydrophobicContact CB-CD2 4.49Å; M306-L367 HydrophobicContact CE-CD2 3.57Å; Q308-L367 HydrophobicContact CG-CD1 4.23Å; Q308-L367 HydrophobicContact CG-CD2 3.8Å; Q308-L367 HydrophobicContact CG-CG 4.47Å; Q308-L367 VanDerWaalsContact NE2-CD2 3.32Å; G363-L367 WeakPolarHBondContact O-CG 3.48Å; G363-L367 PolarHBondContact O-N 3.31Å; V364-L367 PolarHBondContact O-N 2.95Å; S365-L367 VanDerWaalsContact C-N 3.26Å; S365-L367 PolarHBondContact O-N 2.9Å; L367-R371 WeakPolarHBondContact O-CB 3.31Å; L367-R371 PolarHBondContact O-N 2.81Å |
| 368 | Q | 95.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 171.9 | -170.9 | -89 | -62.3 | 0 | 0 | 111 | S171 F172 E178 Y235 V364 S365 R371 F372 | S171-Q368 PolarHBondContact O-NE2 2.95Å; F172-Q368 HydrophobicContact CD1-CG 4.12Å; F172-Q368 HydrophobicContact CE1-CG 4.31Å; E178-Q368 VanDerWaalsContact OE2-CG 3.3Å; E178-Q368 WeakPolarHBondContact OE2-CG 3.02Å; E178-Q368 PolarHBondContact OE2-NE2 2.95Å; Y235-Q368 HydrophobicContact CE1-CB 4.21Å; Y235-Q368 HydrophobicContact CE1-CG 4.31Å; Y235-Q368 HydrophobicContact CE2-CB 4.02Å; Y235-Q368 WeakPolarHBondContact OH-CG 3.4Å; V364-Q368 PolarHBondContact O-N 3.3Å; S365-Q368 WeakPolarHBondContact O-CB 3.39Å; S365-Q368 PolarHBondContact O-N 2.73Å; S365-Q368 VanDerWaalsContact O-N 3.12Å; Q368-R371 PolarHBondContact O-N 3.34Å; Q368-F372 PolarHBondContact O-N 3.11Å |
| 369 | E | 93.3 | Very high | 92.9 | Very high | 92 Ų | 92 | 48 Ų | 48 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.1 | -37.9 | 179.6 | -70.2 | 171.5 | -164.9 | 0 | 0 | 112.1 | R167 S365 F372 T373 | R167-E369 IonicContact NH1-OE1 2.63Å; R167-E369 PolarHBondContact NH1-OE1 3.18Å; S365-E369 WeakPolarHBondContact O-CG 3.02Å; S365-E369 PolarHBondContact O-N 3.15Å; E369-F372 WeakPolarHBondContact O-CB 3.43Å; E369-F372 PolarHBondContact O-N 2.99Å; E369-T373 PolarHBondContact O-N 2.97Å |
| 370 | F | 92.1 | Very high | 91.2 | Very high | 70 Ų | 70 | 54.2 Ų | 54.2 | 31% | 0.307 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 170.6 | 178.3 | -92.9 | 0 | 0 | 0 | 112.7 | M306 N366 F372 T373 V374 | M306-F370 HydrophobicContact CE-CD1 3.84Å; M306-F370 HydrophobicContact CE-CE1 3.8Å; M306-F370 HydrophobicContact CG-CD1 4.07Å; M306-F370 HydrophobicContact CG-CD2 4.42Å; M306-F370 HydrophobicContact CG-CE1 3.67Å; M306-F370 HydrophobicContact CG-CE2 4.05Å; M306-F370 HydrophobicContact CG-CG 4.43Å; M306-F370 HydrophobicContact CG-CZ 3.66Å; M306-F370 HydrophobicContact SD-CD1 4.31Å; M306-F370 HydrophobicContact SD-CE1 3.71Å; M306-F370 HydrophobicContact SD-CZ 4.13Å; N366-F370 WeakPolarHBondContact O-CB 3.34Å; N366-F370 PolarHBondContact O-N 3.31Å; F370-F372 VanDerWaalsContact C-N 3.26Å; F370-F372 PolarHBondContact O-N 3.42Å; F370-T373 PolarHBondContact O-N 2.04Å; F370-T373 PolarHBondContact O-OG1 3.2Å; F370-V374 HydrophobicContact CD1-CG2 4.41Å; F370-V374 HydrophobicContact CE1-CG2 3.95Å; F370-V374 HydrophobicContact CE2-CG2 4.09Å; F370-V374 HydrophobicContact CZ-CG2 3.78Å; F370-V374 WeakPolarHBondContact O-CG2 3.11Å; F370-V374 PolarHBondContact O-N 2.96Å; F370-V374 VanDerWaalsContact O-N 3.09Å |
| 371 | R | 93.3 | Very high | 88.9 | Confident | 27 Ų | 27 | 62 Ų | 62 | 10% | 0.102 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.7 | -31.6 | 174.1 | 178.7 | 49.6 | 63.3 | -176.4 | 4.7 | 111.4 | V173 Y235 Y238 L367 Q368 G375 G377 | V173-R371 HydrophobicContact CG2-CG 4.25Å; V173-R371 WeakPolarHBondContact CG2-O 3.34Å; Y235-R371 HydrophobicContact CD1-CB 4.08Å; Y235-R371 HydrophobicContact CD1-CG 4.29Å; Y235-R371 HydrophobicContact CE1-CB 4.36Å; Y235-R371 HydrophobicContact CE1-CG 4.47Å; Y238-R371 VanDerWaalsContact CD1-CZ 3.42Å; Y238-R371 HydrophobicContact CD2-CG 4.19Å; Y238-R371 HydrophobicContact CE2-CG 3.92Å; L367-R371 WeakPolarHBondContact O-CB 3.31Å; L367-R371 PolarHBondContact O-N 2.81Å; Q368-R371 PolarHBondContact O-N 3.34Å; R371-G375 WeakPolarHBondContact CD-O 3.48Å; R371-G375 PolarHBondContact NH1-O 3.29Å; R371-G375 CarbonylContact O-C 3.6Å; R371-G375 VanDerWaalsContact O-CA 3.31Å; R371-G375 WeakPolarHBondContact O-CA 3.25Å; R371-G375 PolarHBondContact O-N 2.76Å; R371-G377 PolarHBondContact NH1-O 3.02Å |
| 372 | F | 94.4 | Very high | 86.2 | Confident | 96 Ų | 96 | 71.2 Ų | 71.2 | 42% | 0.421 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 173.3 | -176.7 | -106 | 0 | 0 | 0 | 112.9 | M170 V173 Q368 E369 F370 | M170-F372 VanDerWaalsContact O-CE2 3.22Å; M170-F372 WeakPolarHBondContact O-CE2 3.45Å; M170-F372 VanDerWaalsContact O-CZ 3.25Å; M170-F372 WeakPolarHBondContact O-CZ 3.29Å; V173-F372 HydrophobicContact CG2-CD2 4.43Å; Q368-F372 PolarHBondContact O-N 3.11Å; E369-F372 WeakPolarHBondContact O-CB 3.43Å; E369-F372 PolarHBondContact O-N 2.99Å; F370-F372 VanDerWaalsContact C-N 3.26Å; F370-F372 PolarHBondContact O-N 3.42Å |
| 373 | T | 92.3 | Very high | 83.8 | Confident | 113 Ų | 113 | 70.4 Ų | 70.4 | 69% | 0.693 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -73.6 | -33.8 | 178.4 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | E369 F370 | E369-T373 PolarHBondContact O-N 2.97Å; F370-T373 PolarHBondContact O-N 2.04Å; F370-T373 PolarHBondContact O-OG1 3.2Å |
| 374 | V | 89.9 | Confident | 80.9 | Confident | 85 Ų | 85 | 78.4 Ų | 78.4 | 52% | 0.515 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -83.7 | -23.3 | 175.7 | 179.9 | 0 | 0 | 0 | 0 | 112.2 | F370 | F370-V374 HydrophobicContact CD1-CG2 4.41Å; F370-V374 HydrophobicContact CE1-CG2 3.95Å; F370-V374 HydrophobicContact CE2-CG2 4.09Å; F370-V374 HydrophobicContact CZ-CG2 3.78Å; F370-V374 WeakPolarHBondContact O-CG2 3.11Å; F370-V374 PolarHBondContact O-N 2.96Å; F370-V374 VanDerWaalsContact O-N 3.09Å |
| 375 | G | 91 | Very high | 77.9 | Confident | 21 Ų | 21 | 91.3 Ų | 91.3 | 22% | 0.216 | 50% | 0.501 | C | S | . | . | trans | 79.1 | -177.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R371 G377 | R371-G375 WeakPolarHBondContact CD-O 3.48Å; R371-G375 PolarHBondContact NH1-O 3.29Å; R371-G375 CarbonylContact O-C 3.6Å; R371-G375 VanDerWaalsContact O-CA 3.31Å; R371-G375 WeakPolarHBondContact O-CA 3.25Å; R371-G375 PolarHBondContact O-N 2.76Å; G375-G377 PolarHBondContact O-N 3.36Å | ||
| 376 | G | 90.4 | Very high | 77.1 | Confident | 40 Ų | 40 | 95.5 Ų | 95.5 | 41% | 0.412 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -78.6 | 0.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 377 | G | 90.3 | Very high | 76.2 | Confident | 45 Ų | 45 | 97.2 Ų | 97.2 | 46% | 0.464 | 53% | 0.533 | S | S | . | . | trans | -68.5 | 147.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R371 G375 | R371-G377 PolarHBondContact NH1-O 3.02Å; G375-G377 PolarHBondContact O-N 3.36Å | ||
| 378 | C | 87.1 | Confident | 75.2 | Confident | 63 Ų | 63 | 102.2 Ų | 102.2 | 43% | 0.426 | 56% | 0.56 | S | S | . | * | trans | -131.4 | 17.5 | 175.2 | -71.8 | 0 | 0 | 0 | 0 | 112.4 | C239 E380 | C239-C378 WeakPolarHBondContact CA-SG 3.47Å; C239-C378 HydrophobicContact CB-CB 3.63Å; C239-C378 WeakPolarHBondContact CB-SG 3.31Å; C239-C378 VanDerWaalsContact SG-CA 3.57Å; C239-C378 WeakPolarHBondContact SG-CB 3.31Å; C239-C378 CovalentContact SG-SG 2.04Å; C239-C378 PolarHBondContact SG-SG 3.27Å; C378-E380 PolarHBondContact O-N 3.43Å | ||
| 379 | T | 77.6 | Confident | 74 | Confident | 134 Ų | 134 | 108.1 Ų | 108.1 | 82% | 0.822 | 59% | 0.593 | S | S | * | * | trans | -70.1 | 117.9 | 163.2 | 45.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 380 | E | 60.3 | Low | 72.8 | Confident | 152 Ų | 152 | 109.1 Ų | 109.1 | 71% | 0.71 | 60% | 0.603 | S | S | * | * | trans | -68.8 | 154.6 | 167 | -55.4 | -159.9 | 123.1 | 0 | 0 | 109.9 | C378 E382 | C378-E380 PolarHBondContact O-N 3.43Å; E380-E382 PolarHBondContact O-N 3.45Å; E380-E382 VanDerWaalsContact O-N 3.11Å | ||
| 381 | E | 50.2 | Low | 71.5 | Confident | 187 Ų | 187 | 111.7 Ų | 111.7 | 87% | 0.874 | 62% | 0.622 | S | S | * | * | trans | -73.8 | 100.6 | 169.1 | -70.6 | -172.4 | 131.2 | 0 | 0 | 109 | G383 | E381-G383 PolarHBondContact O-N 3.04Š| ||
| 382 | E | 41.3 | Very low | 69.9 | Low | 208 Ų | 208 | 117.8 Ų | 117.8 | 97% | 0.972 | 66% | 0.66 | S | S | * | * | trans | -64.9 | 66.4 | 161.9 | -65.8 | -173.6 | 140.8 | 0 | 0 | 109.5 | E380 | E380-E382 PolarHBondContact O-N 3.45Å; E380-E382 VanDerWaalsContact O-N 3.11Å | ||
| 383 | G | 44.8 | Very low | 68.1 | Low | 54 Ų | 54 | 119.5 Ų | 119.5 | 56% | 0.557 | 68% | 0.678 | S | S | * | * | trans | -153.1 | 1.2 | -148.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | E381 | E381-G383 PolarHBondContact O-N 3.04Š| ||
| 384 | M | 36.3 | Very low | 66 | Low | 177 Ų | 177 | 120 Ų | 120 | 87% | 0.872 | 68% | 0.677 | S | S | * | * | trans | -152.1 | 76.8 | 169.6 | -140.4 | 162.7 | -65.1 | 0 | 0 | 116.7 | ||||
| 385 | Q | 33.2 | Very low | 63.9 | Low | 274 Ų | 274 | 123.2 Ų | 123.2 | 100% | 1.28 | 69% | 0.691 | S | S | * | * | trans | 48.9 | 0 | 155.4 | -64 | -172.2 | -15.8 | 0 | 0 | 118.4 |
Retrieved 385 of 385 residues in 112.3 ms
(Link to these results)