| 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 | 34 | Very low | 34 | Very low | 231 Ų | 231 | 136.4 Ų | 136.4 | 100% | 1.138 | 81% | 0.814 | S | S | * | * | 0 | 74.2 | 0 | -64.5 | 179.5 | 174.2 | 0 | 0 | 104.8 | |||||
| 2 | S | 33.9 | Very low | 33.5 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | 60 | 120.9 | 76 | -30.9 | 0 | 0 | 0 | 0 | 109 | |||||
| 3 | D | 35.5 | Very low | 33.4 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | cis | -155.9 | 157.6 | 10.1 | -81.3 | -58.7 | 0 | 0 | 0 | 104.7 | ||||
| 4 | G | 33.5 | Very low | 33 | Very low | 62 Ų | 62 | 135.5 Ų | 135.5 | 64% | 0.639 | 81% | 0.811 | S | S | * | * | cis | 99.4 | 106.2 | 35.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 5 | F | 32.9 | Very low | 32.9 | Very low | 206 Ų | 206 | 143 Ų | 143 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | trans | 161.4 | 103.1 | 150.3 | -95 | -71 | 0 | 0 | 0 | 107.8 | ||||
| 6 | D | 37.7 | Very low | 32.6 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 63% | 0.626 | 82% | 0.818 | S | S | * | * | 61.8 | 126.3 | 56.9 | -134.2 | 19.9 | 0 | 0 | 0 | 110.1 | |||||
| 7 | R | 31.9 | Very low | 32.5 | Very low | 218 Ų | 218 | 147.2 Ų | 147.2 | 82% | 0.823 | 82% | 0.824 | S | S | * | * | cis | -175.4 | 158.9 | 32.2 | -155.9 | 173.2 | -173.5 | 115.5 | -9.2 | 110.1 | ||||
| 8 | A | 32.7 | Very low | 32.4 | Very low | 89 Ų | 89 | 142.8 Ų | 142.8 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | trans | -75.8 | -151.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 9 | P | 44 | Very low | 32.4 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 84% | 0.844 | 82% | 0.822 | S | S | * | * | cis | -152.5 | -178.5 | 13.5 | 42.2 | -18.9 | 0 | 0 | 0 | 119.2 | ||||
| 10 | G | 28.2 | Very low | 32.3 | Very low | 76 Ų | 76 | 141.1 Ų | 141.1 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | trans | 118 | 138.9 | 142.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 11 | A | 29.6 | Very low | 32.3 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | cis | -165.6 | 142.2 | -3.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 12 | G | 28.2 | Very low | 32.1 | Very low | 72 Ų | 72 | 139.6 Ų | 139.6 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -90.3 | 165.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 13 | R | 31.9 | Very low | 32 | Very low | 258 Ų | 258 | 138.2 Ų | 138.2 | 97% | 0.974 | 82% | 0.818 | S | S | * | * | trans | 178 | 135.4 | 153.5 | -95.9 | 168.2 | -165.8 | -147.6 | 6 | 105.8 | ||||
| 14 | G | 28 | Very low | 31.8 | Very low | 67 Ų | 67 | 134.5 Ų | 134.5 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | cis | 120.3 | 103.8 | 12.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 15 | R | 30.7 | Very low | 31.6 | Very low | 248 Ų | 248 | 135 Ų | 135 | 94% | 0.936 | 82% | 0.823 | S | S | * | * | trans | 71.3 | 130.6 | 148.8 | -65 | -177.2 | 172.8 | -163.5 | -1.8 | 122.4 | ||||
| 16 | S | 29.3 | Very low | 32.5 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | 174 | 123.3 | 115.2 | -73.9 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 17 | R | 31.1 | Very low | 32.3 | Very low | 244 Ų | 244 | 134.4 Ų | 134.4 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | 77.4 | 115.3 | 58.7 | -150 | -175.4 | -161.1 | -160.8 | 5.4 | 114.3 | |||||
| 18 | G | 29.3 | Very low | 32.3 | Very low | 68 Ų | 68 | 127.6 Ų | 127.6 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | trans | 153.7 | 94.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 19 | L | 32.3 | Very low | 32.2 | Very low | 174 Ų | 174 | 127.7 Ų | 127.7 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | 63.8 | 122.6 | 77.6 | -72.4 | 172.1 | 0 | 0 | 0 | 115.6 | |||||
| 20 | G | 31.2 | Very low | 31.5 | Very low | 76 Ų | 76 | 125.2 Ų | 125.2 | 78% | 0.784 | 83% | 0.834 | S | S | * | * | trans | 133.9 | 88.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 21 | R | 32.3 | Very low | 32 | Very low | 257 Ų | 257 | 131.2 Ų | 131.2 | 97% | 0.97 | 84% | 0.839 | S | S | * | * | 70.4 | 112 | 62.1 | -152.5 | -177.2 | -160 | -107.6 | 3.9 | 113.5 | |||||
| 22 | G | 30.5 | Very low | 33 | Very low | 84 Ų | 84 | 132 Ų | 132 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | trans | 86.7 | 135.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 23 | G | 30.8 | Very low | 33.2 | Very low | 78 Ų | 78 | 136.4 Ų | 136.4 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | cis | 163.4 | 159.8 | 5.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 24 | G | 31.1 | Very low | 33.1 | Very low | 82 Ų | 82 | 127.5 Ų | 127.5 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | 82.6 | 104.3 | 148.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 25 | G | 30 | Very low | 33.3 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 76% | 0.763 | 84% | 0.84 | S | S | * | * | 83.6 | 166.1 | 115.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 26 | P | 51.8 | Low | 33.2 | Very low | 115 Ų | 115 | 121.1 Ų | 121.1 | 75% | 0.747 | 83% | 0.831 | S | S | * | * | -128.8 | -171.5 | -122.5 | 33.6 | -13.8 | 0 | 0 | 0 | 114.2 | |||||
| 27 | E | 33.9 | Very low | 34 | Very low | 195 Ų | 195 | 122.1 Ų | 122.1 | 91% | 0.911 | 84% | 0.835 | S | S | * | * | trans | 73.1 | 143.3 | 163.3 | -51.5 | -173.3 | 129 | 0 | 0 | 115.6 | ||||
| 28 | G | 30.9 | Very low | 34 | Very low | 75 Ų | 75 | 115.4 Ų | 115.4 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | cis | 165.1 | 158.1 | 5.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 29 | G | 30.7 | Very low | 34.2 | Very low | 90 Ų | 90 | 121.4 Ų | 121.4 | 93% | 0.928 | 84% | 0.841 | S | S | * | * | trans | 92.1 | 130.1 | 151.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 30 | G | 30.2 | Very low | 34.2 | Very low | 78 Ų | 78 | 125.3 Ų | 125.3 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | 133.1 | 75.1 | 144.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 31 | F | 37.3 | Very low | 34.3 | Very low | 203 Ų | 203 | 125.9 Ų | 125.9 | 89% | 0.89 | 84% | 0.841 | S | S | * | * | trans | -66.5 | 154 | 143.9 | -83.2 | -79.1 | 0 | 0 | 0 | 108.9 | ||||
| 32 | P | 50.9 | Low | 34.3 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 77% | 0.773 | 84% | 0.84 | S | S | * | * | -151.8 | 159.9 | 74 | 36.2 | -13.8 | 0 | 0 | 0 | 118.9 | |||||
| 33 | N | 33.8 | Very low | 34.5 | Very low | 165 Ų | 165 | 130.4 Ų | 130.4 | 88% | 0.882 | 84% | 0.84 | S | S | * | * | trans | 7.2 | 141.4 | 148.7 | -78.5 | -16.3 | 0 | 0 | 0 | 121.8 | ||||
| 34 | G | 29.6 | Very low | 34.8 | Very low | 72 Ų | 72 | 135.7 Ų | 135.7 | 74% | 0.742 | 84% | 0.844 | S | S | * | * | 137.3 | 119.9 | 118.1 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 35 | A | 31.2 | Very low | 35.1 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 88% | 0.884 | 84% | 0.84 | S | S | * | * | trans | 71.3 | 119.8 | 148.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 36 | G | 29.2 | Very low | 35.6 | Very low | 74 Ų | 74 | 139.3 Ų | 139.3 | 76% | 0.763 | 84% | 0.839 | S | S | * | * | trans | -82.9 | -155.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 37 | P | 46.4 | Very low | 34.9 | Very low | 135 Ų | 135 | 140 Ų | 140 | 88% | 0.877 | 84% | 0.844 | S | S | * | * | cis | -123.7 | 164.4 | -22.8 | 37.2 | -22 | 0 | 0 | 0 | 112 | ||||
| 38 | A | 31.6 | Very low | 35.2 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 85% | 0.851 | 84% | 0.842 | S | S | * | * | trans | -151.1 | 132.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 39 | E | 33.1 | Very low | 35.4 | Very low | 193 Ų | 193 | 142.1 Ų | 142.1 | 90% | 0.902 | 84% | 0.844 | S | S | * | * | trans | -57.1 | 147.9 | -175.3 | -62.3 | 165.7 | 106.8 | 0 | 0 | 114.7 | ||||
| 40 | R | 32.7 | Very low | 35.7 | Very low | 256 Ų | 256 | 147.9 Ų | 147.9 | 97% | 0.966 | 84% | 0.844 | S | S | * | * | trans | -154.6 | 144.4 | 142.2 | -119.4 | 174.4 | -173.5 | -174.2 | 1.5 | 113.7 | ||||
| 41 | A | 32.3 | Very low | 35.9 | Very low | 88 Ų | 88 | 148.8 Ų | 148.8 | 73% | 0.727 | 84% | 0.843 | S | S | * | * | trans | -66.3 | 153.3 | -162 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 42 | R | 31.9 | Very low | 35.8 | Very low | 251 Ų | 251 | 144.9 Ų | 144.9 | 95% | 0.947 | 84% | 0.839 | S | S | * | * | trans | -61.1 | 130.4 | 171.1 | -68 | 175.9 | 172.3 | 177.2 | -3.6 | 111.5 | ||||
| 43 | H | 34.2 | Very low | 34.9 | Very low | 186 Ų | 186 | 143 Ų | 143 | 86% | 0.861 | 84% | 0.841 | S | S | * | * | trans | -111.8 | 127.8 | 159.5 | -83 | -68.8 | 0 | 0 | 0 | 109.5 | ||||
| 44 | Q | 37.1 | Very low | 34.8 | Very low | 188 Ų | 188 | 145.1 Ų | 145.1 | 88% | 0.879 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 145.5 | 170.9 | -76.6 | 175.8 | -11.2 | 0 | 0 | 111.3 | ||
| 45 | P | 38.6 | Very low | 35.3 | Very low | 120 Ų | 120 | 150 Ų | 150 | 78% | 0.779 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 156.5 | 166.2 | 32.7 | -29.3 | 0 | 0 | 0 | 113 | ||
| 46 | P | 40.1 | Very low | 35.5 | Very low | 113 Ų | 113 | 153.9 Ų | 153.9 | 73% | 0.734 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 166.2 | -170.7 | 33 | -35.5 | 0 | 0 | 0 | 114.4 | ||
| 47 | P | 37.3 | Very low | 36 | Very low | 130 Ų | 130 | 156 Ų | 156 | 84% | 0.844 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 143.9 | -171.3 | 32.1 | -33.7 | 0 | 0 | 0 | 113.5 | ||
| 48 | Q | 40.3 | Very low | 35.7 | Very low | 188 Ų | 188 | 155 Ų | 155 | 88% | 0.879 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 152.2 | 175.6 | -71.7 | -166.3 | -1 | 0 | 0 | 113.1 | ||
| 49 | P | 36.2 | Very low | 36.1 | Very low | 126 Ų | 126 | 156.2 Ų | 156.2 | 82% | 0.818 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 150.2 | -177.8 | 32.1 | -32.8 | 0 | 0 | 0 | 114.1 | ||
| 50 | K | 35.8 | Very low | 36.2 | Very low | 211 Ų | 211 | 155.3 Ų | 155.3 | 92% | 0.917 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 140.9 | -178.2 | -63.5 | 178.6 | 176 | -178.8 | 0 | 113 | ||
| 51 | A | 33.8 | Very low | 36.6 | Very low | 96 Ų | 96 | 154.9 Ų | 154.9 | 79% | 0.793 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 153 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 52 | P | 36.3 | Very low | 36.9 | Very low | 122 Ų | 122 | 159.4 Ų | 159.4 | 79% | 0.792 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 150.2 | -177.4 | 1.1 | 18.3 | 0 | 0 | 0 | 113.2 | ||
| 53 | G | 32 | Very low | 36.9 | Very low | 79 Ų | 79 | 153.4 Ų | 153.4 | 81% | 0.814 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 147.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 54 | F | 32.1 | Very low | 36.9 | Very low | 210 Ų | 210 | 156.6 Ų | 156.6 | 92% | 0.921 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 130.6 | 168.8 | -82.6 | -88.5 | 0 | 0 | 0 | 110.6 | ||
| 55 | L | 39.1 | Very low | 36.7 | Very low | 174 Ų | 174 | 154.4 Ų | 154.4 | 91% | 0.911 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 129.3 | 172.5 | -68.5 | 161.2 | 0 | 0 | 0 | 109.8 | ||
| 56 | Q | 35.9 | Very low | 36.2 | Very low | 189 Ų | 189 | 153.4 Ų | 153.4 | 88% | 0.883 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 140.1 | 173.2 | -73.3 | -176.3 | -10 | 0 | 0 | 111.7 | ||
| 57 | P | 39.1 | Very low | 36.4 | Very low | 117 Ų | 117 | 153.7 Ų | 153.7 | 76% | 0.76 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 156.8 | 165.8 | -5.5 | 23 | 0 | 0 | 0 | 112.4 | ||
| 58 | P | 41.1 | Very low | 36.3 | Very low | 115 Ų | 115 | 153.4 Ų | 153.4 | 75% | 0.747 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 152.1 | -173.3 | 30.5 | -33.9 | 0 | 0 | 0 | 113.4 | ||
| 59 | P | 38.9 | Very low | 35.9 | Very low | 129 Ų | 129 | 150.3 Ų | 150.3 | 84% | 0.838 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 141.2 | -177.9 | 28.8 | -32.7 | 0 | 0 | 0 | 112.7 | ||
| 60 | L | 35.8 | Very low | 35.5 | Very low | 174 Ų | 174 | 147.9 Ų | 147.9 | 91% | 0.911 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -71 | 136.6 | -180 | -69.5 | 162.8 | 0 | 0 | 0 | 111.4 | ||
| 61 | R | 41.3 | Very low | 35.1 | Very low | 246 Ų | 246 | 142.1 Ų | 142.1 | 93% | 0.928 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 140.5 | 177 | -73.2 | -177.1 | 179.6 | -176.5 | -0.2 | 111.8 | ||
| 62 | Q | 37.4 | Very low | 34.8 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 86% | 0.855 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 142.6 | 169.2 | -62.9 | -176.4 | -3.5 | 0 | 0 | 111.7 | ||
| 63 | P | 32.7 | Very low | 34.2 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 133.6 | 177.3 | 30.5 | -30.2 | 0 | 0 | 0 | 112.3 | ||
| 64 | R | 35 | Very low | 34 | Very low | 253 Ų | 253 | 150.7 Ų | 150.7 | 96% | 0.955 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 139.1 | 172.4 | -75.5 | 175.4 | 158.9 | 178.4 | -7.4 | 111.4 | ||
| 65 | T | 31.3 | Very low | 33.8 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 119.7 | 168.2 | 35.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 66 | A | 28.9 | Very low | 33.6 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -166.8 | 157.5 | 154.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 67 | P | 44.7 | Very low | 33.2 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | trans | -104 | -178.1 | -134.9 | 40.7 | -37.8 | 0 | 0 | 0 | 115.1 | ||||
| 68 | P | 34.8 | Very low | 32.6 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | trans | -141.4 | 162.9 | 138.5 | 36.7 | -21.1 | 0 | 0 | 0 | 117 | ||||
| 69 | P | 31.7 | Very low | 32.5 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | trans | -101.7 | 156.1 | -178.8 | 38.8 | -31.8 | 0 | 0 | 0 | 114.8 | ||||
| 70 | G | 26.7 | Very low | 32 | Very low | 74 Ų | 74 | 143.8 Ų | 143.8 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | 85.6 | 132.8 | 129.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 71 | A | 28.8 | Very low | 31.7 | Very low | 90 Ų | 90 | 146.2 Ų | 146.2 | 74% | 0.744 | 82% | 0.817 | S | S | * | * | trans | 75.6 | 135.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 72 | Q | 26.8 | Very low | 31.3 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | cis | -169.7 | 149.2 | 8.3 | -106.6 | 166.2 | 22.2 | 0 | 0 | 109.5 | ||||
| 73 | C | 24.8 | Very low | 30.9 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | 49.3 | 143.2 | 139.4 | -51.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 74 | E | 26.7 | Very low | 30.9 | Very low | 189 Ų | 189 | 142.8 Ų | 142.8 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | cis | -157.7 | 156.4 | 32.4 | -71.9 | -177 | 142.1 | 0 | 0 | 111.8 | ||||
| 75 | V | 27.3 | Very low | 30.8 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -94.6 | 157.7 | 168.7 | -165.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 76 | P | 34.9 | Very low | 30.6 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | -159.2 | 179.3 | 50.3 | 35.8 | -8.1 | 0 | 0 | 0 | 121.3 | |||||
| 77 | V | 28.2 | Very low | 30.5 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | trans | 115.6 | 102.3 | 145.3 | -170.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 78 | S | 27.3 | Very low | 29.9 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -86.3 | 165.7 | 149.7 | -48.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 79 | P | 38.1 | Very low | 30.2 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | -152.2 | 139.6 | 78.1 | 37.1 | -15.7 | 0 | 0 | 0 | 115.3 | |||||
| 80 | Q | 28.5 | Very low | 30 | Very low | 194 Ų | 194 | 138.9 Ų | 138.9 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | 102.5 | 142.8 | 101.5 | -81.4 | -170.2 | -1.1 | 0 | 0 | 117 | |||||
| 81 | R | 29.9 | Very low | 30.1 | Very low | 225 Ų | 225 | 143.1 Ų | 143.1 | 85% | 0.849 | 81% | 0.813 | S | S | * | * | trans | -98.2 | 163.9 | 178 | -166.6 | -167.4 | -137.9 | -167.2 | 5.7 | 109.5 | ||||
| 82 | P | 32.8 | Very low | 30.1 | Very low | 123 Ų | 123 | 144 Ų | 144 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -122.4 | 158.1 | 154.4 | 31.3 | -16.8 | 0 | 0 | 0 | 114.6 | ||||
| 83 | S | 28 | Very low | 30.4 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -106.7 | 169 | -173.2 | -59.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 84 | R | 32.8 | Very low | 31.5 | Very low | 244 Ų | 244 | 146.2 Ų | 146.2 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -57.1 | 161.7 | 172.7 | -126 | 178.8 | -177.6 | -173.8 | 0.7 | 116.1 | ||||
| 85 | P | 34.6 | Very low | 31.5 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -131.4 | 165.8 | 144.1 | 30.2 | -13.1 | 0 | 0 | 0 | 111.7 | ||||
| 86 | G | 26.2 | Very low | 31.6 | Very low | 83 Ų | 83 | 149.3 Ų | 149.3 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | cis | 155.4 | 154 | 11.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 87 | A | 27.7 | Very low | 31.2 | Very low | 98 Ų | 98 | 148 Ų | 148 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -101.2 | 163.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 88 | L | 31.7 | Very low | 32.6 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | 32 | 153.5 | 146.8 | -80.2 | 169.4 | 0 | 0 | 0 | 123.1 | ||||
| 89 | P | 40 | Very low | 33.3 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | -154.2 | -164.8 | 83.8 | 40.2 | -16.8 | 0 | 0 | 0 | 118.1 | |||||
| 90 | E | 28.2 | Very low | 32.8 | Very low | 175 Ų | 175 | 148.3 Ų | 148.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -117.9 | -177.9 | -142.6 | -155.9 | -160.9 | 135.6 | 0 | 0 | 116.3 | ||||
| 91 | Q | 29.7 | Very low | 32.9 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | trans | 104.6 | 141.5 | 162.4 | -63.1 | -169.7 | 28.3 | 0 | 0 | 117.6 | ||||
| 92 | T | 28.5 | Very low | 32.9 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 66% | 0.663 | 80% | 0.801 | S | S | * | * | cis | -171.4 | 124.5 | 29.9 | -8.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 93 | R | 32.9 | Very low | 32.7 | Very low | 233 Ų | 233 | 141.6 Ų | 141.6 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | 77.2 | 166.3 | 100.9 | -84 | -165.7 | 177.7 | -177 | 2.3 | 120 | |||||
| 94 | P | 48.3 | Very low | 32.8 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | -147.3 | -160.9 | -71.5 | 41.7 | -17.4 | 0 | 0 | 0 | 115.8 | |||||
| 95 | L | 27 | Very low | 32.8 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | 125.3 | 148.1 | 150.7 | -68.6 | 161.3 | 0 | 0 | 0 | 115 | ||||
| 96 | R | 28 | Very low | 32.8 | Very low | 234 Ų | 234 | 140.9 Ų | 140.9 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | cis | -176.4 | 153.2 | -21.6 | -169.4 | 176.5 | -154.9 | 171.1 | 5.9 | 107.7 | ||||
| 97 | A | 27.1 | Very low | 32.9 | Very low | 86 Ų | 86 | 145.4 Ų | 145.4 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -92 | -154.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 98 | P | 56.3 | Low | 33 | Very low | 117 Ų | 117 | 149.9 Ų | 149.9 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | -111.6 | -164.3 | -98.1 | 38.1 | -19.1 | 0 | 0 | 0 | 113.7 | |||||
| 99 | P | 42.3 | Very low | 32.8 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | -159.1 | 176.8 | 103.1 | 39.3 | -17.7 | 0 | 0 | 0 | 118.6 | |||||
| 100 | S | 28.3 | Very low | 32.4 | Very low | 109 Ų | 109 | 148.2 Ų | 148.2 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -80.1 | 165.8 | 179.2 | -36.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 101 | S | 31.5 | Very low | 32.4 | Very low | 111 Ų | 111 | 148.2 Ų | 148.2 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | 157.7 | 137.9 | 129.1 | -69.3 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 102 | Q | 29.8 | Very low | 32.4 | Very low | 167 Ų | 167 | 146 Ų | 146 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | 88.4 | 122 | 137.7 | -77.6 | -172.2 | -53.2 | 0 | 0 | 126.5 | ||||
| 103 | D | 27.8 | Very low | 32.4 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 66% | 0.663 | 79% | 0.794 | S | S | * | * | 59.9 | 123.7 | 125.4 | -62.9 | -37.6 | 0 | 0 | 0 | 123.2 | |||||
| 104 | K | 30.6 | Very low | 32.5 | Very low | 199 Ų | 199 | 143.5 Ų | 143.5 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | 165.8 | 133.8 | 99.3 | -87.2 | -166.4 | 179.8 | -175.3 | 0 | 114.1 | |||||
| 105 | I | 32.7 | Very low | 31.6 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -94.3 | 156.7 | 159.8 | -61 | 162.4 | 0 | 0 | 0 | 108.6 | ||||
| 106 | P | 33.9 | Very low | 31.8 | Very low | 121 Ų | 121 | 145.8 Ų | 145.8 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | -137.5 | 122.9 | 120.4 | 28.1 | -10.9 | 0 | 0 | 0 | 111.9 | |||||
| 107 | Q | 28.7 | Very low | 32.4 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | 63.6 | 113.9 | 85.5 | -104.6 | -167.6 | -22.7 | 0 | 0 | 116.7 | |||||
| 108 | Q | 29.6 | Very low | 32.5 | Very low | 191 Ų | 191 | 145 Ų | 145 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | 172.2 | 97.1 | 135.3 | -96.4 | 177.8 | -4.7 | 0 | 0 | 107.6 | ||||
| 109 | N | 28 | Very low | 31.6 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 75% | 0.754 | 81% | 0.813 | S | S | * | * | 60.7 | 113.4 | 76.8 | -150 | 32 | 0 | 0 | 0 | 115.4 | |||||
| 110 | S | 31.2 | Very low | 31.2 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -179.1 | 107.5 | 135.8 | -90.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 111 | E | 27.9 | Very low | 31.9 | Very low | 175 Ų | 175 | 147 Ų | 147 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -17.3 | 155.3 | 141.5 | -80.1 | 174.1 | 140 | 0 | 0 | 116.9 | ||||
| 112 | S | 29.5 | Very low | 31.9 | Very low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | cis | -172.7 | 168.7 | 16.3 | -169.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 113 | A | 29.3 | Very low | 32.6 | Very low | 97 Ų | 97 | 143.2 Ų | 143.2 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | 97.7 | 124 | 139.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 114 | M | 34.8 | Very low | 33.7 | Very low | 192 Ų | 192 | 143.8 Ų | 143.8 | 95% | 0.946 | 82% | 0.816 | S | S | * | * | trans | -57.8 | 149.8 | 171.8 | -75.3 | 173.1 | 153.9 | 0 | 0 | 115 | ||||
| 115 | A | 29.8 | Very low | 34.5 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | 177.7 | 131.9 | 119.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 116 | K | 30.9 | Very low | 35.2 | Very low | 202 Ų | 202 | 142.7 Ų | 142.7 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | trans | -89.9 | 173.3 | 155.2 | -106.6 | 177.2 | -179.1 | 176.3 | 0 | 108 | ||||
| 117 | P | 40.3 | Very low | 36.1 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | cis | -137.8 | 172 | -3.4 | 36.6 | -17.8 | 0 | 0 | 0 | 114.1 | ||||
| 118 | Q | 29.8 | Very low | 37.5 | Very low | 191 Ų | 191 | 142.6 Ų | 142.6 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -178.1 | 141 | 131 | -104.6 | -179 | 2.8 | 0 | 0 | 113 | ||||
| 119 | V | 36.3 | Very low | 38.5 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -90.8 | 127.1 | 179.2 | 171.3 | 0 | 0 | 0 | 0 | 109.1 | V121 | V119-V121 HydrophobicContact CG1-CG2 4.29Š| ||
| 120 | V | 35.3 | Very low | 40 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | -138.3 | 129.6 | 159 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 121 | V | 41.2 | Very low | 41.3 | Very low | 125 Ų | 125 | 138 Ų | 138 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | trans | -95.5 | 143.4 | -175.1 | 178 | 0 | 0 | 0 | 0 | 110.5 | V119 | V119-V121 HydrophobicContact CG1-CG2 4.29Š| ||
| 122 | A | 32.5 | Very low | 42.7 | Very low | 90 Ų | 90 | 135 Ų | 135 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | trans | 95.5 | 148.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 123 | P | 45 | Very low | 44.4 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | cis | -114.2 | 160.8 | -2.8 | 35 | -20 | 0 | 0 | 0 | 113.6 | L125 | P123-L125 PolarHBondContact O-N 3.06Š| ||
| 124 | V | 51.2 | Low | 45.8 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -61 | 104.6 | 174 | 175.4 | 0 | 0 | 0 | 0 | 109.7 | M126 | V124-M126 PolarHBondContact O-N 2.77Š| ||
| 125 | L | 47.2 | Very low | 47.2 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | -78.8 | 105.8 | 160.7 | -71.2 | 171.7 | 0 | 0 | 0 | 106.9 | P123 S127 | P123-L125 PolarHBondContact O-N 3.06Å; L125-S127 PolarHBondContact O-N 3.06Å | ||
| 126 | M | 46.1 | Very low | 48.6 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 85% | 0.852 | 75% | 0.745 | S | S | * | * | trans | -55.3 | 110.6 | 164.6 | -74.2 | -87.4 | -141.9 | 0 | 0 | 107.8 | V124 K128 | V124-M126 PolarHBondContact O-N 2.77Å; M126-K128 PolarHBondContact O-N 3.09Å | ||
| 127 | S | 52.6 | Low | 50.2 | Low | 89 Ų | 89 | 130.8 Ų | 130.8 | 62% | 0.622 | 73% | 0.725 | S | S | * | * | trans | -64.3 | 123.6 | -179.5 | -170.9 | 0 | 0 | 0 | 0 | 109.6 | L125 L129 | L125-S127 PolarHBondContact O-N 3.06Å; S127-L129 WeakPolarHBondContact OG-CB 3.45Å; S127-L129 WeakPolarHBondContact OG-CG 3.36Å; S127-L129 PolarHBondContact OG-N 3.45Å | ||
| 128 | K | 58.8 | Low | 51.1 | Low | 208 Ų | 208 | 130.5 Ų | 130.5 | 90% | 0.904 | 72% | 0.723 | S | S | * | * | trans | -88.9 | 15.8 | 170.7 | -68 | -175.8 | 177.8 | 178.8 | 0 | 112.1 | M126 S130 | M126-K128 PolarHBondContact O-N 3.09Å; K128-S130 PolarHBondContact O-N 3.43Å | ||
| 129 | L | 51.8 | Low | 52.3 | Low | 148 Ų | 148 | 128 Ų | 128 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | -78.8 | 109.4 | 179.3 | -61.6 | 175.3 | 0 | 0 | 0 | 109 | S127 | S127-L129 WeakPolarHBondContact OG-CB 3.45Å; S127-L129 WeakPolarHBondContact OG-CG 3.36Å; S127-L129 PolarHBondContact OG-N 3.45Å | ||
| 130 | S | 58.2 | Low | 53.4 | Low | 71 Ų | 71 | 125.4 Ų | 125.4 | 50% | 0.497 | 73% | 0.727 | S | S | . | * | trans | -73.6 | 134.7 | 166.7 | 177.2 | 0 | 0 | 0 | 0 | 108.8 | K128 N132 A133 | K128-S130 PolarHBondContact O-N 3.43Å; S130-N132 PolarHBondContact O-N 2.97Å; S130-N132 VanDerWaalsContact O-N 3.08Å; S130-N132 PolarHBondContact OG-N 3.26Å; S130-A133 WeakPolarHBondContact O-CB 3.48Å; S130-A133 PolarHBondContact O-N 2.79Å; S130-A133 VanDerWaalsContact O-N 3.09Å | ||
| 131 | V | 58.1 | Low | 54.2 | Low | 133 Ų | 133 | 125.6 Ų | 125.6 | 81% | 0.806 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -19.6 | 170.6 | 166.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 132 | N | 57.7 | Low | 54.6 | Low | 112 Ų | 112 | 123.3 Ų | 123.3 | 60% | 0.599 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 25.6 | 179.3 | -57 | -26.8 | 0 | 0 | 0 | 112.7 | S130 | S130-N132 PolarHBondContact O-N 2.97Å; S130-N132 VanDerWaalsContact O-N 3.08Å; S130-N132 PolarHBondContact OG-N 3.26Å |
| 133 | A | 65.3 | Low | 55.3 | Low | 24 Ų | 24 | 123.7 Ų | 123.7 | 20% | 0.198 | 70% | 0.7 | C | S | . | * | trans | -64.5 | 130.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S130 E135 F136 | S130-A133 WeakPolarHBondContact O-CB 3.48Å; S130-A133 PolarHBondContact O-N 2.79Å; S130-A133 VanDerWaalsContact O-N 3.09Å; A133-E135 PolarHBondContact O-N 2.89Å; A133-F136 PolarHBondContact O-N 3.44Å | ||
| 134 | P | 59.8 | Low | 55.4 | Low | 113 Ų | 113 | 125 Ų | 125 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -59.1 | -22.1 | -178.1 | -24 | 32.9 | 0 | 0 | 0 | 114.3 | F136 | P134-F136 VanDerWaalsContact C-N 3.27Å; P134-F136 PolarHBondContact O-N 2.88Å |
| 135 | E | 64.2 | Low | 54.8 | Low | 189 Ų | 189 | 127.1 Ų | 127.1 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -75.1 | -14 | 178.8 | -61.2 | 171.5 | -173.8 | 0 | 0 | 113.1 | A133 | A133-E135 PolarHBondContact O-N 2.89Š|
| 136 | F | 58.5 | Low | 54.4 | Low | 175 Ų | 175 | 125.8 Ų | 125.8 | 77% | 0.768 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -88.9 | -1.6 | 177 | -110.3 | -92 | 0 | 0 | 0 | 113.9 | A133 P134 | A133-F136 PolarHBondContact O-N 3.44Å; P134-F136 VanDerWaalsContact C-N 3.27Å; P134-F136 PolarHBondContact O-N 2.88Å |
| 137 | Y | 64.3 | Low | 53.9 | Low | 120 Ų | 120 | 124.3 Ų | 124.3 | 47% | 0.471 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -102.1 | 118.3 | 175.4 | -65.8 | -90.7 | 0 | 0 | 0 | 109.7 | S139 Y141 | Y137-S139 PolarHBondContact O-N 3.15Å; Y137-Y141 HydrophobicContact CD1-CD1 4.39Å |
| 138 | P | 60 | Low | 53.3 | Low | 106 Ų | 106 | 124.1 Ų | 124.1 | 69% | 0.688 | 68% | 0.684 | S | S | * | * | trans | -57.3 | 135.2 | 171.8 | -22.3 | 32.6 | 0 | 0 | 0 | 110.6 | G140 Y141 | P138-G140 PolarHBondContact O-N 3.33Å; P138-Y141 PolarHBondContact O-N 3.34Å | ||
| 139 | S | 53.8 | Low | 52.7 | Low | 139 Ų | 139 | 123.9 Ų | 123.9 | 97% | 0.972 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 94.1 | -179.1 | 34 | 0 | 0 | 0 | 0 | 110.9 | Y137 | Y137-S139 PolarHBondContact O-N 3.15Š|
| 140 | G | 60.6 | Low | 52.2 | Low | 77 Ų | 77 | 125.3 Ų | 125.3 | 79% | 0.794 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 153.3 | -12.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P138 S142 | P138-G140 PolarHBondContact O-N 3.33Å; G140-S142 PolarHBondContact O-N 2.65Å; G140-S142 VanDerWaalsContact O-N 3.15Å |
| 141 | Y | 51.4 | Low | 51.4 | Low | 143 Ų | 143 | 128.6 Ų | 128.6 | 56% | 0.561 | 69% | 0.694 | S | S | * | * | trans | -79.3 | 96.9 | 177.3 | -160.1 | -97.4 | 0 | 0 | 0 | 111.5 | Y137 P138 S143 | Y137-Y141 HydrophobicContact CD1-CD1 4.39Å; P138-Y141 PolarHBondContact O-N 3.34Å; Y141-S143 PolarHBondContact O-N 3.44Å | ||
| 142 | S | 49.7 | Very low | 50.9 | Low | 77 Ų | 77 | 125.3 Ų | 125.3 | 54% | 0.538 | 69% | 0.687 | S | S | . | * | trans | -72.7 | 109 | 166 | 171.2 | 0 | 0 | 0 | 0 | 108.8 | G140 N144 | G140-S142 PolarHBondContact O-N 2.65Å; G140-S142 VanDerWaalsContact O-N 3.15Å; S142-N144 PolarHBondContact O-N 3.02Å | ||
| 143 | S | 48.1 | Very low | 50.6 | Low | 98 Ų | 98 | 125 Ų | 125 | 69% | 0.685 | 69% | 0.692 | S | S | * | * | trans | -70 | 77.8 | 169.8 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | Y141 | Y141-S143 PolarHBondContact O-N 3.44Š| ||
| 144 | N | 45.8 | Very low | 49.9 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -120.3 | 31.7 | 162.2 | -68.8 | -10 | 0 | 0 | 0 | 109.8 | S142 | S142-N144 PolarHBondContact O-N 3.02Š| ||
| 145 | Y | 38.6 | Very low | 50 | Low | 180 Ų | 180 | 132.6 Ų | 132.6 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | -104.5 | 88 | 165.2 | -79.4 | -86.9 | 0 | 0 | 0 | 106.4 | E147 | Y145-E147 PolarHBondContact O-N 2.99Š| ||
| 146 | T | 39 | Very low | 49.8 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | trans | -61.3 | 98.3 | 148.3 | -44.7 | 0 | 0 | 0 | 0 | 104 | S148 | T146-S148 PolarHBondContact O-N 3.25Š| ||
| 147 | E | 36.9 | Very low | 50.7 | Low | 141 Ų | 141 | 126.7 Ų | 126.7 | 66% | 0.659 | 69% | 0.694 | S | S | * | * | trans | -68.4 | 77.7 | 169.2 | -153.5 | 148.2 | -156.7 | 0 | 0 | 105.6 | Y145 Y149 | Y145-E147 PolarHBondContact O-N 2.99Å; E147-Y149 WeakPolarHBondContact O-CD2 3.48Å; E147-Y149 PolarHBondContact O-N 2.97Å | ||
| 148 | S | 39.8 | Very low | 51.9 | Low | 86 Ų | 86 | 124.5 Ų | 124.5 | 60% | 0.601 | 69% | 0.694 | S | S | * | * | trans | -61.6 | 101.1 | 152.9 | 49.9 | 0 | 0 | 0 | 0 | 104 | T146 E150 | T146-S148 PolarHBondContact O-N 3.25Å; S148-E150 PolarHBondContact O-N 3.48Å | ||
| 149 | Y | 44.7 | Very low | 53.4 | Low | 202 Ų | 202 | 121 Ų | 121 | 79% | 0.792 | 67% | 0.669 | S | S | * | * | trans | -53.6 | 86.4 | 154.7 | -54.1 | -85.3 | 0 | 0 | 0 | 105.8 | E147 D151 | E147-Y149 WeakPolarHBondContact O-CD2 3.48Å; E147-Y149 PolarHBondContact O-N 2.97Å; Y149-D151 PolarHBondContact O-N 3.41Å | ||
| 150 | E | 41.3 | Very low | 55.3 | Low | 179 Ų | 179 | 116.2 Ų | 116.2 | 84% | 0.836 | 64% | 0.635 | S | S | * | * | trans | -63.4 | 86.2 | 147 | -74.5 | -169.3 | 168.5 | 0 | 0 | 103.2 | S148 G152 | S148-E150 PolarHBondContact O-N 3.48Å; E150-G152 PolarHBondContact O-N 3.3Å | ||
| 151 | D | 41.5 | Very low | 57 | Low | 139 Ų | 139 | 117.3 Ų | 117.3 | 74% | 0.743 | 62% | 0.62 | S | S | * | * | trans | -34.1 | 112.7 | 149.1 | -173.3 | 39.7 | 0 | 0 | 0 | 105.6 | Y149 C153 | Y149-D151 PolarHBondContact O-N 3.41Å; D151-C153 PolarHBondContact O-N 2.85Å | ||
| 152 | G | 47.1 | Very low | 59.1 | Low | 64 Ų | 64 | 113.4 Ų | 113.4 | 66% | 0.66 | 60% | 0.604 | S | S | * | * | trans | -61.8 | 90 | 169.2 | 0 | 0 | 0 | 0 | 0 | 104.8 | E150 E154 | E150-G152 PolarHBondContact O-N 3.3Å; G152-E154 PolarHBondContact O-N 3.03Å | ||
| 153 | C | 52.3 | Low | 61.4 | Low | 105 Ų | 105 | 109.7 Ų | 109.7 | 71% | 0.709 | 58% | 0.579 | S | S | * | * | trans | -50.6 | 98.4 | 173.5 | 172.8 | 0 | 0 | 0 | 0 | 105 | D151 D155 | D151-C153 PolarHBondContact O-N 2.85Å; C153-D155 PolarHBondContact O-N 3.4Å; C153-D155 VanDerWaalsContact O-N 3.14Å | ||
| 154 | E | 51.2 | Low | 63.7 | Low | 134 Ų | 134 | 107.7 Ų | 107.7 | 63% | 0.626 | 56% | 0.558 | S | S | * | * | trans | -50.4 | 126 | 162.7 | -79.8 | -173.2 | 130.6 | 0 | 0 | 104.8 | G152 Y156 | G152-E154 PolarHBondContact O-N 3.03Å; E154-Y156 HydrophobicContact CB-CD2 3.48Å; E154-Y156 VanDerWaalsContact CB-CD2 3.48Å; E154-Y156 HydrophobicContact CB-CE2 3.47Å; E154-Y156 VanDerWaalsContact CB-CE2 3.47Å; E154-Y156 HydrophobicContact CB-CG 4.48Å; E154-Y156 HydrophobicContact CG-CE2 4.2Å; E154-Y156 PolarHBondContact O-N 3.35Å; E154-Y156 WeakPolarHBondContact OE2-CE2 3.37Å; E154-Y156 PolarHBondContact OE2-OH 3.27Å | ||
| 155 | D | 61.1 | Low | 66.1 | Low | 164 Ų | 164 | 106.2 Ų | 106.2 | 88% | 0.877 | 55% | 0.55 | S | S | * | * | trans | -67.4 | 58.6 | -178.5 | -161.7 | 28.7 | 0 | 0 | 0 | 108.8 | C153 | C153-D155 PolarHBondContact O-N 3.4Å; C153-D155 VanDerWaalsContact O-N 3.14Å | ||
| 156 | Y | 60.7 | Low | 68.9 | Low | 166 Ų | 166 | 98.4 Ų | 98.4 | 65% | 0.651 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 122.9 | 176.5 | -83.1 | -67.1 | 0 | 0 | 0 | 107 | E154 T158 | E154-Y156 HydrophobicContact CB-CD2 3.48Å; E154-Y156 VanDerWaalsContact CB-CD2 3.48Å; E154-Y156 HydrophobicContact CB-CE2 3.47Å; E154-Y156 VanDerWaalsContact CB-CE2 3.47Å; E154-Y156 HydrophobicContact CB-CG 4.48Å; E154-Y156 HydrophobicContact CG-CE2 4.2Å; E154-Y156 PolarHBondContact O-N 3.35Å; E154-Y156 WeakPolarHBondContact OE2-CE2 3.37Å; E154-Y156 PolarHBondContact OE2-OH 3.27Å; Y156-T158 PolarHBondContact O-N 3.4Å |
| 157 | P | 76.9 | Confident | 71.7 | Confident | 74 Ų | 74 | 92.1 Ų | 92.1 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 135.8 | 179.6 | 23.5 | -32.2 | 0 | 0 | 0 | 109.1 | E161 | P157-E161 HydrophobicContact CB-CB 4.09Š|
| 158 | T | 90.1 | Very high | 74.5 | Confident | 74 Ų | 74 | 88.4 Ų | 88.4 | 45% | 0.454 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 159.4 | 171.6 | 60.3 | 0 | 0 | 0 | 0 | 110 | Y156 S160 E161 Y162 | Y156-T158 PolarHBondContact O-N 3.4Å; T158-S160 PolarHBondContact O-N 3.05Å; T158-S160 VanDerWaalsContact O-N 3.17Å; T158-E161 WeakPolarHBondContact CB-OE2 3.17Å; T158-E161 PolarHBondContact N-OE2 2.92Å; T158-E161 PolarHBondContact O-N 3.13Å; T158-E161 VanDerWaalsContact O-N 3.11Å; T158-E161 WeakPolarHBondContact OG1-CG 3.49Å; T158-E161 PolarHBondContact OG1-N 3.01Å; T158-E161 PolarHBondContact OG1-OE2 2.8Å; T158-Y162 PolarHBondContact O-N 3.35Å |
| 159 | L | 91.4 | Very high | 77.2 | Confident | 31 Ų | 31 | 86.5 Ų | 86.5 | 16% | 0.162 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -51.7 | -40.8 | 174.7 | 175.5 | 64.8 | 0 | 0 | 0 | 111.3 | V163 L188 V192 A197 | L159-V163 HydrophobicContact CD1-CG2 3.84Å; L159-V163 HydrophobicContact CG-CG2 4.33Å; L159-V163 WeakPolarHBondContact O-CB 3.49Å; L159-V163 WeakPolarHBondContact O-CG2 3.44Å; L159-V163 PolarHBondContact O-N 3.23Å; L159-L188 HydrophobicContact CD1-CD2 3.89Å; L159-V192 HydrophobicContact CD1-CG2 3.88Å; L159-V192 HydrophobicContact CD2-CG2 4.12Å; L159-A197 HydrophobicContact CD2-CB 3.87Å |
| 160 | S | 93.9 | Very high | 79.6 | Confident | 39 Ų | 39 | 76.9 Ų | 76.9 | 27% | 0.273 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 179 | -175.9 | 0 | 0 | 0 | 0 | 112.6 | T158 Q164 | T158-S160 PolarHBondContact O-N 3.05Å; T158-S160 VanDerWaalsContact O-N 3.17Å; S160-Q164 WeakPolarHBondContact O-CB 3.12Å; S160-Q164 PolarHBondContact O-N 3.19Å |
| 161 | E | 95.3 | Very high | 82.2 | Confident | 100 Ų | 100 | 70.8 Ų | 70.8 | 47% | 0.467 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.9 | -48.4 | 178.6 | -71.9 | 159.2 | 157 | 0 | 0 | 110.9 | P157 T158 V163 Q164 D165 | P157-E161 HydrophobicContact CB-CB 4.09Å; T158-E161 WeakPolarHBondContact CB-OE2 3.17Å; T158-E161 PolarHBondContact N-OE2 2.92Å; T158-E161 PolarHBondContact O-N 3.13Å; T158-E161 VanDerWaalsContact O-N 3.11Å; T158-E161 WeakPolarHBondContact OG1-CG 3.49Å; T158-E161 PolarHBondContact OG1-N 3.01Å; T158-E161 PolarHBondContact OG1-OE2 2.8Å; E161-V163 PolarHBondContact O-N 2.79Å; E161-Q164 PolarHBondContact O-N 3.46Å; E161-D165 WeakPolarHBondContact O-CB 3.36Å; E161-D165 VanDerWaalsContact O-CG 3.27Å; E161-D165 PolarHBondContact O-N 3.19Å |
| 162 | Y | 95.8 | Very high | 84.8 | Confident | 61 Ų | 61 | 71.5 Ų | 71.5 | 24% | 0.239 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 178.6 | 176 | -105.3 | 0 | 0 | 0 | 112.7 | T158 F166 F184 T187 | T158-Y162 PolarHBondContact O-N 3.35Å; Y162-F166 PolarHBondContact O-N 2.98Å; Y162-F184 HydrophobicContact CD1-CE2 4.19Å; Y162-F184 AromaticContact CE1-CD2 3.61Å; Y162-F184 HydrophobicContact CE1-CD2 3.61Å; Y162-F184 AromaticContact CE1-CE2 3.64Å; Y162-F184 HydrophobicContact CE1-CE2 3.64Å; Y162-F184 AromaticContact CZ-CD2 3.86Å; Y162-T187 HydrophobicContact CD1-CG2 4.49Å; Y162-T187 HydrophobicContact CE1-CG2 3.76Å; Y162-T187 HydrophobicContact CE2-CG2 4.31Å; Y162-T187 WeakPolarHBondContact OH-CB 3.31Å; Y162-T187 PolarHBondContact OH-OG1 3.49Å |
| 163 | V | 97.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 178.6 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | L159 E161 D165 F166 L167 F184 L188 L201 L204 | L159-V163 HydrophobicContact CD1-CG2 3.84Å; L159-V163 HydrophobicContact CG-CG2 4.33Å; L159-V163 WeakPolarHBondContact O-CB 3.49Å; L159-V163 WeakPolarHBondContact O-CG2 3.44Å; L159-V163 PolarHBondContact O-N 3.23Å; E161-V163 PolarHBondContact O-N 2.79Å; V163-D165 PolarHBondContact O-N 2.86Å; V163-F166 PolarHBondContact O-N 2.99Å; V163-L167 HydrophobicContact CG1-CD1 3.76Å; V163-L167 HydrophobicContact CG1-CG 4.21Å; V163-L167 WeakPolarHBondContact O-CB 3.36Å; V163-L167 WeakPolarHBondContact O-CG 3.37Å; V163-L167 PolarHBondContact O-N 3.16Å; V163-F184 HydrophobicContact CG2-CE2 4.4Å; V163-F184 HydrophobicContact CG2-CZ 4.28Å; V163-L188 HydrophobicContact CG2-CD2 3.94Å; V163-L201 HydrophobicContact CG1-CD1 3.93Å; V163-L201 HydrophobicContact CG2-CD1 3.69Å; V163-L204 HydrophobicContact CB-CD1 3.91Å; V163-L204 HydrophobicContact CG1-CB 3.86Å; V163-L204 HydrophobicContact CG1-CD1 3.82Å; V163-L204 HydrophobicContact CG1-CG 4.49Å |
| 164 | Q | 97.1 | Very high | 89 | Confident | 55 Ų | 55 | 71.8 Ų | 71.8 | 26% | 0.257 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.4 | -38.9 | -178.2 | -170.4 | 61.6 | 62.1 | 0 | 0 | 111.8 | S160 E161 L167 N168 | S160-Q164 WeakPolarHBondContact O-CB 3.12Å; S160-Q164 PolarHBondContact O-N 3.19Å; E161-Q164 PolarHBondContact O-N 3.46Å; Q164-L167 PolarHBondContact O-N 2.88Å; Q164-N168 PolarHBondContact NE2-OD1 2.56Å; Q164-N168 WeakPolarHBondContact O-CB 3.49Å; Q164-N168 PolarHBondContact O-N 3.21Å; Q164-N168 PolarHBondContact O-ND2 2.84Å |
| 165 | D | 96.6 | Very high | 91 | Very high | 105 Ų | 105 | 68.4 Ų | 68.4 | 56% | 0.561 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | 175.4 | -74.5 | -13.6 | 0 | 0 | 0 | 111.1 | E161 V163 L167 N168 H169 | E161-D165 WeakPolarHBondContact O-CB 3.36Å; E161-D165 VanDerWaalsContact O-CG 3.27Å; E161-D165 PolarHBondContact O-N 3.19Å; V163-D165 PolarHBondContact O-N 2.86Å; D165-L167 PolarHBondContact O-N 2.9Å; D165-N168 PolarHBondContact O-N 3.13Å; D165-H169 WeakPolarHBondContact O-CB 3.31Å; D165-H169 PolarHBondContact O-N 3.34Å |
| 166 | F | 97.3 | Very high | 92.6 | Very high | 16 Ų | 16 | 61 Ų | 61 | 7% | 0.07 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 175.2 | -174.5 | -107.8 | 0 | 0 | 0 | 112.5 | Y162 V163 N168 H169 L170 E180 I181 F184 L222 | Y162-F166 PolarHBondContact O-N 2.98Å; V163-F166 PolarHBondContact O-N 2.99Å; F166-N168 VanDerWaalsContact C-N 3.35Å; F166-N168 PolarHBondContact O-N 3.32Å; F166-H169 PolarHBondContact O-N 2.93Å; F166-L170 HydrophobicContact CD1-CD1 3.96Å; F166-L170 HydrophobicContact CD1-CG 4.27Å; F166-L170 HydrophobicContact CE1-CD1 3.4Å; F166-L170 HydrophobicContact CE1-CD2 4.46Å; F166-L170 HydrophobicContact CE1-CG 3.88Å; F166-L170 HydrophobicContact CE2-CD2 4.48Å; F166-L170 HydrophobicContact CE2-CG 4.39Å; F166-L170 HydrophobicContact CZ-CD1 3.85Å; F166-L170 HydrophobicContact CZ-CD2 4.06Å; F166-L170 HydrophobicContact CZ-CG 3.94Å; F166-L170 WeakPolarHBondContact O-CG 3.36Å; F166-L170 PolarHBondContact O-N 2.94Å; F166-E180 HydrophobicContact CE2-CB 3.84Å; F166-E180 HydrophobicContact CZ-CB 4.45Å; F166-I181 HydrophobicContact CE1-CD1 4.45Å; F166-I181 HydrophobicContact CZ-CD1 4.5Å; F166-F184 HydrophobicContact CB-CD2 3.87Å; F166-F184 HydrophobicContact CB-CE2 3.65Å; F166-F184 HydrophobicContact CB-CZ 4.38Å; F166-F184 HydrophobicContact CD1-CB 4.36Å; F166-F184 AromaticContact CD1-CD1 3.66Å; F166-F184 HydrophobicContact CD1-CD1 3.66Å; F166-F184 AromaticContact CD1-CD2 3.42Å; F166-F184 HydrophobicContact CD1-CD2 3.42Å; F166-F184 VanDerWaalsContact CD1-CD2 3.42Å; F166-F184 AromaticContact CD1-CE1 3.64Å; F166-F184 HydrophobicContact CD1-CE1 3.64Å; F166-F184 AromaticContact CD1-CE2 3.42Å; F166-F184 HydrophobicContact CD1-CE2 3.42Å; F166-F184 VanDerWaalsContact CD1-CE2 3.42Å; F166-F184 AromaticContact CD1-CG 3.54Å; F166-F184 HydrophobicContact CD1-CG 3.54Å; F166-F184 AromaticContact CD1-CZ 3.52Å; F166-F184 HydrophobicContact CD1-CZ 3.52Å; F166-F184 HydrophobicContact CD2-CB 4.37Å; F166-F184 AromaticContact CD2-CD2 3.95Å; F166-F184 HydrophobicContact CD2-CD2 3.95Å; F166-F184 HydrophobicContact CD2-CG 4.24Å; F166-F184 HydrophobicContact CE1-CB 3.94Å; F166-F184 AromaticContact CE1-CD1 3.4Å; F166-F184 HydrophobicContact CE1-CD1 3.4Å; F166-F184 VanDerWaalsContact CE1-CD1 3.4Å; F166-F184 AromaticContact CE1-CD2 3.86Å; F166-F184 HydrophobicContact CE1-CD2 3.86Å; F166-F184 AromaticContact CE1-CE1 3.75Å; F166-F184 HydrophobicContact CE1-CE1 3.75Å; F166-F184 HydrophobicContact CE1-CE2 4.19Å; F166-F184 AromaticContact CE1-CG 3.45Å; F166-F184 HydrophobicContact CE1-CG 3.45Å; F166-F184 VanDerWaalsContact CE1-CG 3.45Å; F166-F184 HydrophobicContact CE1-CZ 4.13Å; F166-F184 HydrophobicContact CE2-CB 3.99Å; F166-F184 HydrophobicContact CE2-CD2 4.36Å; F166-F184 HydrophobicContact CE2-CG 4.19Å; F166-F184 HydrophobicContact CG-CD1 4.49Å; F166-F184 AromaticContact CG-CD2 3.45Å; F166-F184 HydrophobicContact CG-CD2 3.45Å; F166-F184 VanDerWaalsContact CG-CD2 3.45Å; F166-F184 AromaticContact CG-CE2 3.61Å; F166-F184 HydrophobicContact CG-CE2 3.61Å; F166-F184 AromaticContact CG-CG 3.93Å; F166-F184 HydrophobicContact CG-CG 3.93Å; F166-F184 HydrophobicContact CG-CZ 4.19Å; F166-F184 HydrophobicContact CZ-CB 3.75Å; F166-F184 HydrophobicContact CZ-CD1 4.09Å; F166-F184 HydrophobicContact CZ-CD2 4.32Å; F166-F184 AromaticContact CZ-CG 3.8Å; F166-F184 HydrophobicContact CZ-CG 3.8Å; F166-L222 HydrophobicContact CE1-CD1 4.39Å |
| 167 | L | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 177 | -71.3 | 175.5 | 0 | 0 | 0 | 112.5 | V163 Q164 D165 T171 L204 I205 Q208 F215 L222 | V163-L167 HydrophobicContact CG1-CD1 3.76Å; V163-L167 HydrophobicContact CG1-CG 4.21Å; V163-L167 WeakPolarHBondContact O-CB 3.36Å; V163-L167 WeakPolarHBondContact O-CG 3.37Å; V163-L167 PolarHBondContact O-N 3.16Å; Q164-L167 PolarHBondContact O-N 2.88Å; D165-L167 PolarHBondContact O-N 2.9Å; L167-T171 PolarHBondContact O-N 2.95Å; L167-T171 VanDerWaalsContact O-N 3.09Å; L167-T171 PolarHBondContact O-OG1 2.92Å; L167-L204 HydrophobicContact CD1-CB 4.32Å; L167-I205 HydrophobicContact CD1-CG1 4.29Å; L167-I205 HydrophobicContact CD2-CG1 4.26Å; L167-Q208 HydrophobicContact CB-CG 4.02Å; L167-Q208 HydrophobicContact CD1-CB 3.99Å; L167-Q208 HydrophobicContact CD1-CG 4.39Å; L167-Q208 HydrophobicContact CD2-CG 4.49Å; L167-F215 HydrophobicContact CD2-CE1 4Å; L167-F215 HydrophobicContact CD2-CZ 3.76Å; L167-L222 HydrophobicContact CD2-CD2 3.55Å |
| 168 | N | 96.2 | Very high | 95.2 | Very high | 62 Ų | 62 | 54.6 Ų | 54.6 | 33% | 0.332 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 174 | -68 | -21.3 | 0 | 0 | 0 | 110.6 | Q164 D165 F166 L170 T171 E172 | Q164-N168 PolarHBondContact NE2-OD1 2.56Å; Q164-N168 WeakPolarHBondContact O-CB 3.49Å; Q164-N168 PolarHBondContact O-N 3.21Å; Q164-N168 PolarHBondContact O-ND2 2.84Å; D165-N168 PolarHBondContact O-N 3.13Å; F166-N168 VanDerWaalsContact C-N 3.35Å; F166-N168 PolarHBondContact O-N 3.32Å; N168-L170 PolarHBondContact O-N 3.3Å; N168-T171 WeakPolarHBondContact O-CA 3.41Å; N168-T171 VanDerWaalsContact O-CB 3.25Å; N168-T171 WeakPolarHBondContact O-CB 3.31Å; N168-T171 PolarHBondContact O-N 3.42Å; N168-E172 PolarHBondContact O-N 2.84Å |
| 169 | H | 96.3 | Very high | 95.5 | Very high | 46 Ų | 46 | 56.5 Ų | 56.5 | 21% | 0.213 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59 | -45.9 | 175.4 | -177.7 | 62.7 | 0 | 0 | 0 | 112.2 | D165 F166 T171 E172 Q173 S176 E180 | D165-H169 WeakPolarHBondContact O-CB 3.31Å; D165-H169 PolarHBondContact O-N 3.34Å; F166-H169 PolarHBondContact O-N 2.93Å; H169-T171 PolarHBondContact O-N 3.21Å; H169-E172 PolarHBondContact O-N 3.28Å; H169-Q173 PolarHBondContact CE1-OE1 3.42Å; H169-Q173 PolarHBondContact O-N 3.14Å; H169-S176 PolarHBondContact NE2-OG 2.96Å; H169-E180 IonicContact CD2-OE1 3.34Å; H169-E180 IonicContact CD2-OE2 3.94Å; H169-E180 PolarHBondContact CD2-OE2 2.78Å; H169-E180 IonicContact CE1-OE1 2.68Å; H169-E180 VanDerWaalsContact NE2-CD 3.26Å; H169-E180 IonicContact NE2-OE1 3.81Å; H169-E180 PolarHBondContact NE2-OE1 3.07Å; H169-E180 IonicContact NE2-OE2 2.71Å; H169-E180 PolarHBondContact NE2-OE2 3.15Å; H169-E180 VanDerWaalsContact NE2-OE2 3.09Å |
| 170 | L | 96.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.6 | -25.7 | 173.8 | -73.8 | -174 | 0 | 0 | 0 | 113.6 | F166 N168 P174 F177 F215 M218 L222 | F166-L170 HydrophobicContact CD1-CD1 3.96Å; F166-L170 HydrophobicContact CD1-CG 4.27Å; F166-L170 HydrophobicContact CE1-CD1 3.4Å; F166-L170 HydrophobicContact CE1-CD2 4.46Å; F166-L170 HydrophobicContact CE1-CG 3.88Å; F166-L170 HydrophobicContact CE2-CD2 4.48Å; F166-L170 HydrophobicContact CE2-CG 4.39Å; F166-L170 HydrophobicContact CZ-CD1 3.85Å; F166-L170 HydrophobicContact CZ-CD2 4.06Å; F166-L170 HydrophobicContact CZ-CG 3.94Å; F166-L170 WeakPolarHBondContact O-CG 3.36Å; F166-L170 PolarHBondContact O-N 2.94Å; N168-L170 PolarHBondContact O-N 3.3Å; L170-P174 WeakPolarHBondContact O-CA 3.5Å; L170-F177 HydrophobicContact CD1-CD2 3.99Å; L170-F177 HydrophobicContact CD1-CE2 4.46Å; L170-F177 HydrophobicContact CD2-CB 4Å; L170-F177 HydrophobicContact CD2-CD2 3.98Å; L170-F177 HydrophobicContact CD2-CG 4.49Å; L170-F215 HydrophobicContact CB-CE2 3.82Å; L170-F215 HydrophobicContact CB-CZ 4.2Å; L170-M218 HydrophobicContact CB-CG 4.21Å; L170-M218 HydrophobicContact CD1-CG 4.24Å; L170-M218 HydrophobicContact CD1-SD 4.46Å; L170-L222 HydrophobicContact CD1-CD2 4.32Å |
| 171 | T | 95 | Very high | 95.9 | Very high | 50 Ų | 50 | 56.6 Ų | 56.6 | 31% | 0.307 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -73.6 | -41.4 | 175.8 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | L167 N168 H169 Q208 I212 F215 | L167-T171 PolarHBondContact O-N 2.95Å; L167-T171 VanDerWaalsContact O-N 3.09Å; L167-T171 PolarHBondContact O-OG1 2.92Å; N168-T171 WeakPolarHBondContact O-CA 3.41Å; N168-T171 VanDerWaalsContact O-CB 3.25Å; N168-T171 WeakPolarHBondContact O-CB 3.31Å; N168-T171 PolarHBondContact O-N 3.42Å; H169-T171 PolarHBondContact O-N 3.21Å; T171-Q208 PolarHBondContact OG1-NE2 3.45Å; T171-I212 HydrophobicContact CG2-CG2 3.67Å; T171-F215 HydrophobicContact CG2-CD2 4.49Å; T171-F215 WeakPolarHBondContact OG1-CD2 3.45Å; T171-F215 WeakPolarHBondContact OG1-CE2 3.33Å |
| 172 | E | 95.8 | Very high | 96 | Very high | 154 Ų | 154 | 58.4 Ų | 58.4 | 72% | 0.72 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -79.3 | -36.6 | -179.3 | -66.9 | -178.6 | -176 | 0 | 0 | 112.4 | N168 H169 | N168-E172 PolarHBondContact O-N 2.84Å; H169-E172 PolarHBondContact O-N 3.28Å |
| 173 | Q | 95.2 | Very high | 96 | Very high | 106 Ų | 106 | 60.8 Ų | 60.8 | 50% | 0.495 | 32% | 0.324 | S | S | . | . | trans | -131 | 72.9 | -174.2 | -57.2 | -174.7 | 21.9 | 0 | 0 | 111.4 | H169 G175 S176 | H169-Q173 PolarHBondContact CE1-OE1 3.42Å; H169-Q173 PolarHBondContact O-N 3.14Å; Q173-G175 PolarHBondContact O-N 2.95Å; Q173-S176 WeakPolarHBondContact O-CB 3.27Å; Q173-S176 PolarHBondContact O-N 3.48Å; Q173-S176 PolarHBondContact O-OG 2.81Å | ||
| 174 | P | 93.2 | Very high | 96 | Very high | 69 Ų | 69 | 60.9 Ų | 60.9 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -58.5 | -25.9 | -178 | -26 | 34.7 | 0 | 0 | 0 | 114.8 | L170 S176 F177 M218 | L170-P174 WeakPolarHBondContact O-CA 3.5Å; P174-S176 VanDerWaalsContact C-N 3.26Å; P174-S176 PolarHBondContact O-N 2.97Å; P174-F177 WeakPolarHBondContact O-CB 3.2Å; P174-F177 PolarHBondContact O-N 3.34Å; P174-M218 HydrophobicContact CB-CE 3.72Å; P174-M218 VanDerWaalsContact O-CE 3.25Å; P174-M218 WeakPolarHBondContact O-CE 3.19Å |
| 175 | G | 93.7 | Very high | 96 | Very high | 63 Ų | 63 | 58.4 Ų | 58.4 | 65% | 0.649 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -76.6 | -5.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q173 F177 | Q173-G175 PolarHBondContact O-N 2.95Å; G175-F177 VanDerWaalsContact C-N 3.26Å |
| 176 | S | 94.3 | Very high | 96 | Very high | 9 Ų | 9 | 59.6 Ų | 59.6 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -79.7 | -10.1 | 172.9 | 64.4 | 0 | 0 | 0 | 0 | 112.9 | H169 Q173 P174 E178 T179 E180 | H169-S176 PolarHBondContact NE2-OG 2.96Å; Q173-S176 WeakPolarHBondContact O-CB 3.27Å; Q173-S176 PolarHBondContact O-N 3.48Å; Q173-S176 PolarHBondContact O-OG 2.81Å; P174-S176 VanDerWaalsContact C-N 3.26Å; P174-S176 PolarHBondContact O-N 2.97Å; S176-E178 VanDerWaalsContact C-N 3.35Å; S176-E178 PolarHBondContact O-N 3.15Å; S176-T179 PolarHBondContact O-N 3.31Å; S176-T179 PolarHBondContact O-OG1 2.96Å; S176-E180 PolarHBondContact O-N 3.42Å |
| 177 | F | 96.3 | Very high | 95.9 | Very high | 6 Ų | 6 | 61.1 Ų | 61.1 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.7 | -49.1 | -173.2 | -177.4 | -88.5 | 0 | 0 | 0 | 111.7 | L170 P174 G175 T179 E180 I181 M218 R221 L222 | L170-F177 HydrophobicContact CD1-CD2 3.99Å; L170-F177 HydrophobicContact CD1-CE2 4.46Å; L170-F177 HydrophobicContact CD2-CB 4Å; L170-F177 HydrophobicContact CD2-CD2 3.98Å; L170-F177 HydrophobicContact CD2-CG 4.49Å; P174-F177 WeakPolarHBondContact O-CB 3.2Å; P174-F177 PolarHBondContact O-N 3.34Å; G175-F177 VanDerWaalsContact C-N 3.26Å; F177-T179 VanDerWaalsContact C-N 3.29Å; F177-T179 PolarHBondContact O-N 3.43Å; F177-E180 PolarHBondContact O-N 2.91Å; F177-I181 HydrophobicContact CD1-CB 4.43Å; F177-I181 HydrophobicContact CD1-CG2 4.43Å; F177-I181 HydrophobicContact CE1-CB 4.23Å; F177-I181 HydrophobicContact CE1-CG1 4.12Å; F177-I181 HydrophobicContact CE1-CG2 4.24Å; F177-I181 HydrophobicContact CE2-CB 4.46Å; F177-I181 HydrophobicContact CE2-CD1 3.83Å; F177-I181 HydrophobicContact CE2-CG1 4.11Å; F177-I181 HydrophobicContact CZ-CB 4.25Å; F177-I181 HydrophobicContact CZ-CD1 3.92Å; F177-I181 HydrophobicContact CZ-CG1 3.76Å; F177-I181 WeakPolarHBondContact O-CB 3.48Å; F177-I181 WeakPolarHBondContact O-CG2 3.28Å; F177-I181 PolarHBondContact O-N 3.18Å; F177-M218 HydrophobicContact CB-CE 4.06Å; F177-M218 HydrophobicContact CB-SD 4.11Å; F177-M218 HydrophobicContact CD2-CE 4.37Å; F177-M218 HydrophobicContact CD2-SD 3.32Å; F177-M218 WeakPolarHBondContact CD2-SD 3.43Å; F177-M218 HydrophobicContact CE2-SD 3.92Å; F177-M218 HydrophobicContact CG-CE 4.41Å; F177-M218 HydrophobicContact CG-SD 3.87Å; F177-R221 VanDerWaalsContact CD1-NH1 3.35Å; F177-R221 HydrophobicContact CE1-CG 4.03Å; F177-R221 HydrophobicContact CE2-CG 4.5Å; F177-R221 HydrophobicContact CZ-CG 3.89Å; F177-L222 HydrophobicContact CE2-CB 4.12Å; F177-L222 HydrophobicContact CE2-CD1 4.18Å |
| 178 | E | 95.5 | Very high | 95.9 | Very high | 100 Ų | 100 | 61.1 Ų | 61.1 | 47% | 0.467 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.1 | -36.1 | -177.2 | -69.2 | 73.9 | -165 | 0 | 0 | 112.7 | S176 R221 | S176-E178 VanDerWaalsContact C-N 3.35Å; S176-E178 PolarHBondContact O-N 3.15Å; E178-R221 IonicContact OE1-CZ 2.76Å; E178-R221 IonicContact OE1-NH1 3.25Å; E178-R221 PolarHBondContact OE1-NH1 3.23Å; E178-R221 IonicContact OE1-NH2 2.84Å; E178-R221 PolarHBondContact OE1-NH2 3.38Å |
| 179 | T | 96.4 | Very high | 95.8 | Very high | 114 Ų | 114 | 60.3 Ų | 60.3 | 70% | 0.699 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -83.4 | -27.4 | -175.7 | 49 | 0 | 0 | 0 | 0 | 113.2 | S176 F177 | S176-T179 PolarHBondContact O-N 3.31Å; S176-T179 PolarHBondContact O-OG1 2.96Å; F177-T179 VanDerWaalsContact C-N 3.29Å; F177-T179 PolarHBondContact O-N 3.43Å |
| 180 | E | 96.6 | Very high | 95.6 | Very high | 66 Ų | 66 | 61.1 Ų | 61.1 | 31% | 0.308 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -111.7 | -17.9 | -169.6 | -61.2 | -176.8 | -158 | 0 | 0 | 114.2 | F166 H169 S176 F177 E182 Q183 F184 | F166-E180 HydrophobicContact CE2-CB 3.84Å; F166-E180 HydrophobicContact CZ-CB 4.45Å; H169-E180 IonicContact CD2-OE1 3.34Å; H169-E180 IonicContact CD2-OE2 3.94Å; H169-E180 PolarHBondContact CD2-OE2 2.78Å; H169-E180 IonicContact CE1-OE1 2.68Å; H169-E180 VanDerWaalsContact NE2-CD 3.26Å; H169-E180 IonicContact NE2-OE1 3.81Å; H169-E180 PolarHBondContact NE2-OE1 3.07Å; H169-E180 IonicContact NE2-OE2 2.71Å; H169-E180 PolarHBondContact NE2-OE2 3.15Å; H169-E180 VanDerWaalsContact NE2-OE2 3.09Å; S176-E180 PolarHBondContact O-N 3.42Å; F177-E180 PolarHBondContact O-N 2.91Å; E180-E182 VanDerWaalsContact C-N 3.28Å; E180-E182 PolarHBondContact O-N 3.06Å; E180-Q183 PolarHBondContact O-N 2.97Å; E180-F184 WeakPolarHBondContact O-CB 3.36Å; E180-F184 PolarHBondContact O-N 3.32Å |
| 181 | I | 97.4 | Very high | 95.4 | Very high | 6 Ų | 6 | 63.8 Ų | 63.8 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.7 | -33.9 | -174.4 | -171.7 | 59.4 | 0 | 0 | 0 | 113.6 | F166 F177 F184 A185 L222 Y225 | F166-I181 HydrophobicContact CE1-CD1 4.45Å; F166-I181 HydrophobicContact CZ-CD1 4.5Å; F177-I181 HydrophobicContact CD1-CB 4.43Å; F177-I181 HydrophobicContact CD1-CG2 4.43Å; F177-I181 HydrophobicContact CE1-CB 4.23Å; F177-I181 HydrophobicContact CE1-CG1 4.12Å; F177-I181 HydrophobicContact CE1-CG2 4.24Å; F177-I181 HydrophobicContact CE2-CB 4.46Å; F177-I181 HydrophobicContact CE2-CD1 3.83Å; F177-I181 HydrophobicContact CE2-CG1 4.11Å; F177-I181 HydrophobicContact CZ-CB 4.25Å; F177-I181 HydrophobicContact CZ-CD1 3.92Å; F177-I181 HydrophobicContact CZ-CG1 3.76Å; F177-I181 WeakPolarHBondContact O-CB 3.48Å; F177-I181 WeakPolarHBondContact O-CG2 3.28Å; F177-I181 PolarHBondContact O-N 3.18Å; I181-F184 HydrophobicContact CD1-CD1 4.16Å; I181-F184 PolarHBondContact O-N 3.24Å; I181-A185 WeakPolarHBondContact O-CB 2.96Å; I181-A185 PolarHBondContact O-N 2.98Å; I181-L222 HydrophobicContact CD1-CD1 3.36Å; I181-Y225 HydrophobicContact CD1-CD1 3.84Å; I181-Y225 HydrophobicContact CD1-CE1 4.27Å; I181-Y225 HydrophobicContact CD1-CG 4.17Å; I181-Y225 HydrophobicContact CG1-CD1 3.39Å; I181-Y225 HydrophobicContact CG1-CD2 3.81Å; I181-Y225 HydrophobicContact CG1-CE1 3.53Å; I181-Y225 HydrophobicContact CG1-CE2 3.91Å; I181-Y225 HydrophobicContact CG1-CG 3.55Å; I181-Y225 HydrophobicContact CG2-CD2 4.35Å; I181-Y225 HydrophobicContact CG2-CE2 3.86Å |
| 182 | E | 96.9 | Very high | 95.3 | Very high | 137 Ų | 137 | 61.6 Ų | 61.6 | 64% | 0.64 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66 | -50.1 | 179.3 | -65.6 | -170.6 | 171.1 | 0 | 0 | 111 | E180 F184 A185 E186 Y225 | E180-E182 VanDerWaalsContact C-N 3.28Å; E180-E182 PolarHBondContact O-N 3.06Å; E182-F184 VanDerWaalsContact C-N 3.3Å; E182-F184 PolarHBondContact O-N 3.04Å; E182-A185 PolarHBondContact O-N 3.39Å; E182-E186 PolarHBondContact O-N 2.68Å; E182-Y225 WeakPolarHBondContact CG-OH 3.49Å |
| 183 | Q | 96.4 | Very high | 95.1 | Very high | 111 Ų | 111 | 59.2 Ų | 59.2 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.5 | -39 | 177.1 | -175.6 | 61.2 | 66.4 | 0 | 0 | 111.5 | E180 E186 T187 | E180-Q183 PolarHBondContact O-N 2.97Å; Q183-E186 PolarHBondContact O-N 3.38Å; Q183-T187 PolarHBondContact NE2-OG1 3.45Å; Q183-T187 WeakPolarHBondContact O-CB 3.39Å; Q183-T187 PolarHBondContact O-N 3Å; Q183-T187 PolarHBondContact O-OG1 3.49Å |
| 184 | F | 97.1 | Very high | 95 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.009 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 175.4 | -179.6 | -111.8 | 0 | 0 | 0 | 111.3 | Y162 V163 F166 E180 I181 E182 E186 T187 L188 L222 L226 | Y162-F184 HydrophobicContact CD1-CE2 4.19Å; Y162-F184 AromaticContact CE1-CD2 3.61Å; Y162-F184 HydrophobicContact CE1-CD2 3.61Å; Y162-F184 AromaticContact CE1-CE2 3.64Å; Y162-F184 HydrophobicContact CE1-CE2 3.64Å; Y162-F184 AromaticContact CZ-CD2 3.86Å; V163-F184 HydrophobicContact CG2-CE2 4.4Å; V163-F184 HydrophobicContact CG2-CZ 4.28Å; F166-F184 HydrophobicContact CB-CD2 3.87Å; F166-F184 HydrophobicContact CB-CE2 3.65Å; F166-F184 HydrophobicContact CB-CZ 4.38Å; F166-F184 HydrophobicContact CD1-CB 4.36Å; F166-F184 AromaticContact CD1-CD1 3.66Å; F166-F184 HydrophobicContact CD1-CD1 3.66Å; F166-F184 AromaticContact CD1-CD2 3.42Å; F166-F184 HydrophobicContact CD1-CD2 3.42Å; F166-F184 VanDerWaalsContact CD1-CD2 3.42Å; F166-F184 AromaticContact CD1-CE1 3.64Å; F166-F184 HydrophobicContact CD1-CE1 3.64Å; F166-F184 AromaticContact CD1-CE2 3.42Å; F166-F184 HydrophobicContact CD1-CE2 3.42Å; F166-F184 VanDerWaalsContact CD1-CE2 3.42Å; F166-F184 AromaticContact CD1-CG 3.54Å; F166-F184 HydrophobicContact CD1-CG 3.54Å; F166-F184 AromaticContact CD1-CZ 3.52Å; F166-F184 HydrophobicContact CD1-CZ 3.52Å; F166-F184 HydrophobicContact CD2-CB 4.37Å; F166-F184 AromaticContact CD2-CD2 3.95Å; F166-F184 HydrophobicContact CD2-CD2 3.95Å; F166-F184 HydrophobicContact CD2-CG 4.24Å; F166-F184 HydrophobicContact CE1-CB 3.94Å; F166-F184 AromaticContact CE1-CD1 3.4Å; F166-F184 HydrophobicContact CE1-CD1 3.4Å; F166-F184 VanDerWaalsContact CE1-CD1 3.4Å; F166-F184 AromaticContact CE1-CD2 3.86Å; F166-F184 HydrophobicContact CE1-CD2 3.86Å; F166-F184 AromaticContact CE1-CE1 3.75Å; F166-F184 HydrophobicContact CE1-CE1 3.75Å; F166-F184 HydrophobicContact CE1-CE2 4.19Å; F166-F184 AromaticContact CE1-CG 3.45Å; F166-F184 HydrophobicContact CE1-CG 3.45Å; F166-F184 VanDerWaalsContact CE1-CG 3.45Å; F166-F184 HydrophobicContact CE1-CZ 4.13Å; F166-F184 HydrophobicContact CE2-CB 3.99Å; F166-F184 HydrophobicContact CE2-CD2 4.36Å; F166-F184 HydrophobicContact CE2-CG 4.19Å; F166-F184 HydrophobicContact CG-CD1 4.49Å; F166-F184 AromaticContact CG-CD2 3.45Å; F166-F184 HydrophobicContact CG-CD2 3.45Å; F166-F184 VanDerWaalsContact CG-CD2 3.45Å; F166-F184 AromaticContact CG-CE2 3.61Å; F166-F184 HydrophobicContact CG-CE2 3.61Å; F166-F184 AromaticContact CG-CG 3.93Å; F166-F184 HydrophobicContact CG-CG 3.93Å; F166-F184 HydrophobicContact CG-CZ 4.19Å; F166-F184 HydrophobicContact CZ-CB 3.75Å; F166-F184 HydrophobicContact CZ-CD1 4.09Å; F166-F184 HydrophobicContact CZ-CD2 4.32Å; F166-F184 AromaticContact CZ-CG 3.8Å; F166-F184 HydrophobicContact CZ-CG 3.8Å; E180-F184 WeakPolarHBondContact O-CB 3.36Å; E180-F184 PolarHBondContact O-N 3.32Å; I181-F184 HydrophobicContact CD1-CD1 4.16Å; I181-F184 PolarHBondContact O-N 3.24Å; E182-F184 VanDerWaalsContact C-N 3.3Å; E182-F184 PolarHBondContact O-N 3.04Å; F184-E186 PolarHBondContact O-N 2.79Å; F184-T187 PolarHBondContact O-N 3.31Å; F184-L188 HydrophobicContact CD1-CD1 3.84Å; F184-L188 HydrophobicContact CD1-CG 4.5Å; F184-L188 HydrophobicContact CE1-CD1 3.36Å; F184-L188 HydrophobicContact CE1-CG 4.22Å; F184-L188 HydrophobicContact CE2-CD1 4.25Å; F184-L188 HydrophobicContact CE2-CD2 4.4Å; F184-L188 HydrophobicContact CE2-CG 4.29Å; F184-L188 HydrophobicContact CG-CD1 4.48Å; F184-L188 HydrophobicContact CZ-CD1 3.6Å; F184-L188 HydrophobicContact CZ-CD2 4.28Å; F184-L188 HydrophobicContact CZ-CG 4.11Å; F184-L188 WeakPolarHBondContact O-CG 3.44Å; F184-L188 PolarHBondContact O-N 3.37Å; F184-L222 HydrophobicContact CD1-CD1 4.32Å; F184-L222 HydrophobicContact CE1-CD1 4.11Å; F184-L226 HydrophobicContact CD1-CD2 4.37Å; F184-L226 HydrophobicContact CE1-CD1 4.38Å; F184-L226 HydrophobicContact CE1-CD2 4.31Å |
| 185 | A | 97 | Very high | 95 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 3% | 0.033 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I181 E182 L188 N189 Y225 L226 H229 | I181-A185 WeakPolarHBondContact O-CB 2.96Å; I181-A185 PolarHBondContact O-N 2.98Å; E182-A185 PolarHBondContact O-N 3.39Å; A185-L188 PolarHBondContact O-N 3.12Å; A185-N189 PolarHBondContact O-N 3.16Å; A185-N189 PolarHBondContact O-ND2 2.75Å; A185-Y225 HydrophobicContact CB-CD1 4.43Å; A185-Y225 HydrophobicContact CB-CE1 3.75Å; A185-L226 HydrophobicContact CB-CD2 4.34Å; A185-H229 HydrophobicContact CB-CB 4.23Å |
| 186 | E | 96.2 | Very high | 95 | Very high | 130 Ų | 130 | 61 Ų | 61 | 61% | 0.607 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.9 | -46.8 | 173.8 | -174.6 | 177.6 | -161.1 | 0 | 0 | 111.2 | E182 Q183 F184 L188 N189 G190 | E182-E186 PolarHBondContact O-N 2.68Å; Q183-E186 PolarHBondContact O-N 3.38Å; F184-E186 PolarHBondContact O-N 2.79Å; E186-L188 VanDerWaalsContact C-N 3.35Å; E186-L188 PolarHBondContact O-N 3.49Å; E186-N189 WeakPolarHBondContact O-CB 3.48Å; E186-N189 PolarHBondContact O-N 3.34Å; E186-G190 PolarHBondContact O-N 2.95Å |
| 187 | T | 95.6 | Very high | 95 | Very high | 47 Ų | 47 | 61.2 Ų | 61.2 | 29% | 0.288 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 178 | -51.3 | 0 | 0 | 0 | 0 | 110.9 | Y162 Q183 F184 N189 G190 C191 | Y162-T187 HydrophobicContact CD1-CG2 4.49Å; Y162-T187 HydrophobicContact CE1-CG2 3.76Å; Y162-T187 HydrophobicContact CE2-CG2 4.31Å; Y162-T187 WeakPolarHBondContact OH-CB 3.31Å; Y162-T187 PolarHBondContact OH-OG1 3.49Å; Q183-T187 PolarHBondContact NE2-OG1 3.45Å; Q183-T187 WeakPolarHBondContact O-CB 3.39Å; Q183-T187 PolarHBondContact O-N 3Å; Q183-T187 PolarHBondContact O-OG1 3.49Å; F184-T187 PolarHBondContact O-N 3.31Å; T187-N189 VanDerWaalsContact C-N 3.32Å; T187-N189 PolarHBondContact O-N 3.46Å; T187-G190 WeakPolarHBondContact O-CA 3.26Å; T187-G190 PolarHBondContact O-N 3.18Å; T187-C191 PolarHBondContact O-N 2.94Å; T187-C191 VanDerWaalsContact O-N 3.14Å; T187-C191 PolarHBondContact O-SG 3.34Å |
| 188 | L | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.2 | -38.8 | 175.6 | -71.5 | -179.6 | 0 | 0 | 0 | 112.8 | L159 V163 F184 A185 E186 G190 C191 V192 L201 L226 L230 | L159-L188 HydrophobicContact CD1-CD2 3.89Å; V163-L188 HydrophobicContact CG2-CD2 3.94Å; F184-L188 HydrophobicContact CD1-CD1 3.84Å; F184-L188 HydrophobicContact CD1-CG 4.5Å; F184-L188 HydrophobicContact CE1-CD1 3.36Å; F184-L188 HydrophobicContact CE1-CG 4.22Å; F184-L188 HydrophobicContact CE2-CD1 4.25Å; F184-L188 HydrophobicContact CE2-CD2 4.4Å; F184-L188 HydrophobicContact CE2-CG 4.29Å; F184-L188 HydrophobicContact CG-CD1 4.48Å; F184-L188 HydrophobicContact CZ-CD1 3.6Å; F184-L188 HydrophobicContact CZ-CD2 4.28Å; F184-L188 HydrophobicContact CZ-CG 4.11Å; F184-L188 WeakPolarHBondContact O-CG 3.44Å; F184-L188 PolarHBondContact O-N 3.37Å; A185-L188 PolarHBondContact O-N 3.12Å; E186-L188 VanDerWaalsContact C-N 3.35Å; E186-L188 PolarHBondContact O-N 3.49Å; L188-G190 PolarHBondContact O-N 2.93Å; L188-C191 PolarHBondContact O-N 3.32Å; L188-V192 HydrophobicContact CB-CG2 4.27Å; L188-V192 HydrophobicContact CD2-CG2 3.89Å; L188-V192 WeakPolarHBondContact O-CA 3.03Å; L188-V192 VanDerWaalsContact O-CB 3.23Å; L188-V192 WeakPolarHBondContact O-CB 3.49Å; L188-V192 WeakPolarHBondContact O-CG2 3.38Å; L188-V192 PolarHBondContact O-N 3.42Å; L188-L201 HydrophobicContact CD1-CD1 4.05Å; L188-L201 HydrophobicContact CD1-CD2 3.91Å; L188-L201 HydrophobicContact CD2-CD1 4.09Å; L188-L201 HydrophobicContact CD2-CD2 4.41Å; L188-L226 HydrophobicContact CD1-CD1 4.37Å; L188-L226 HydrophobicContact CD1-CD2 3.79Å; L188-L230 HydrophobicContact CB-CD2 3.84Å; L188-L230 HydrophobicContact CD1-CD2 4.34Å |
| 189 | N | 95.1 | Very high | 95.1 | Very high | 45 Ų | 45 | 59.4 Ų | 59.4 | 24% | 0.241 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.8 | -26.5 | 175.4 | -81.3 | -54.3 | 0 | 0 | 0 | 112.8 | A185 E186 T187 H229 T231 | A185-N189 PolarHBondContact O-N 3.16Å; A185-N189 PolarHBondContact O-ND2 2.75Å; E186-N189 WeakPolarHBondContact O-CB 3.48Å; E186-N189 PolarHBondContact O-N 3.34Å; T187-N189 VanDerWaalsContact C-N 3.32Å; T187-N189 PolarHBondContact O-N 3.46Å; N189-H229 PolarHBondContact ND2-O 2.68Å; N189-T231 WeakPolarHBondContact OD1-CB 3.34Å; N189-T231 PolarHBondContact OD1-N 3.18Å; N189-T231 PolarHBondContact OD1-OG1 2.97Å |
| 190 | G | 91.7 | Very high | 95.1 | Very high | 63 Ų | 63 | 58 Ų | 58 | 65% | 0.649 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -77.7 | -35.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | E186 T187 L188 | E186-G190 PolarHBondContact O-N 2.95Å; T187-G190 WeakPolarHBondContact O-CA 3.26Å; T187-G190 PolarHBondContact O-N 3.18Å; L188-G190 PolarHBondContact O-N 2.93Å |
| 191 | C | 91.4 | Very high | 95.1 | Very high | 58 Ų | 58 | 54.8 Ų | 54.8 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -104.5 | -30.7 | -172.7 | 64.3 | 0 | 0 | 0 | 0 | 114.8 | T187 L188 T193 | T187-C191 PolarHBondContact O-N 2.94Å; T187-C191 VanDerWaalsContact O-N 3.14Å; T187-C191 PolarHBondContact O-SG 3.34Å; L188-C191 PolarHBondContact O-N 3.32Å; C191-T193 PolarHBondContact O-N 3.41Å |
| 192 | V | 93.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.024 | 30% | 0.304 | C | S | . | . | trans | -84.4 | 84.4 | 179.5 | -173.9 | 0 | 0 | 0 | 0 | 109.5 | L159 L188 A197 L198 L201 I232 | L159-V192 HydrophobicContact CD1-CG2 3.88Å; L159-V192 HydrophobicContact CD2-CG2 4.12Å; L188-V192 HydrophobicContact CB-CG2 4.27Å; L188-V192 HydrophobicContact CD2-CG2 3.89Å; L188-V192 WeakPolarHBondContact O-CA 3.03Å; L188-V192 VanDerWaalsContact O-CB 3.23Å; L188-V192 WeakPolarHBondContact O-CB 3.49Å; L188-V192 WeakPolarHBondContact O-CG2 3.38Å; L188-V192 PolarHBondContact O-N 3.42Å; V192-A197 HydrophobicContact CG1-CB 4.1Å; V192-L198 HydrophobicContact CG1-CB 3.88Å; V192-L198 HydrophobicContact CG1-CD1 4.04Å; V192-L201 HydrophobicContact CG2-CD2 4.41Å; V192-I232 HydrophobicContact CG1-CD1 4.45Å; V192-I232 HydrophobicContact CG1-CG2 4.4Å; V192-I232 WeakPolarHBondContact O-CD1 3.33Å | ||
| 193 | T | 91.6 | Very high | 95.2 | Very high | 103 Ų | 103 | 50.7 Ų | 50.7 | 63% | 0.632 | 29% | 0.286 | S | S | * | . | trans | -110.6 | -7.3 | -175.2 | 58.6 | 0 | 0 | 0 | 0 | 114.3 | C191 | C191-T193 PolarHBondContact O-N 3.41Š| ||
| 194 | T | 93.1 | Very high | 95.3 | Very high | 71 Ų | 71 | 46.6 Ų | 46.6 | 44% | 0.436 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -123.6 | 157.3 | -176.8 | 64.6 | 0 | 0 | 0 | 0 | 112.1 | D196 A197 L198 | T194-D196 VanDerWaalsContact C-N 3.27Å; T194-D196 PolarHBondContact O-N 3.2Å; T194-A197 PolarHBondContact O-N 3.36Å; T194-A197 WeakPolarHBondContact OG1-CB 3.15Å; T194-A197 PolarHBondContact OG1-N 2.76Å; T194-L198 PolarHBondContact O-N 3.09Å; T194-L198 VanDerWaalsContact O-N 3.09Å |
| 195 | D | 93.3 | Very high | 95.3 | Very high | 69 Ų | 69 | 46.5 Ų | 46.5 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.3 | -43.3 | 173.9 | -66.8 | 35.7 | 0 | 0 | 0 | 111.6 | L198 Q199 P234 S236 | D195-L198 PolarHBondContact O-N 3.32Å; D195-Q199 WeakPolarHBondContact O-CB 3.43Å; D195-Q199 PolarHBondContact O-N 2.87Å; D195-P234 VanDerWaalsContact CG-CB 3.46Å; D195-P234 WeakPolarHBondContact OD1-CB 3.32Å; D195-S236 VanDerWaalsContact CG-OG 3.29Å; D195-S236 VanDerWaalsContact OD2-CB 3.3Å; D195-S236 WeakPolarHBondContact OD2-CB 3.48Å; D195-S236 PolarHBondContact OD2-OG 2.8Å |
| 196 | D | 93.9 | Very high | 95.3 | Very high | 136 Ų | 136 | 46.3 Ų | 46.3 | 73% | 0.727 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -65.6 | -42.3 | -178.8 | -67.6 | -22.5 | 0 | 0 | 0 | 111.8 | T194 L198 Q199 E200 | T194-D196 VanDerWaalsContact C-N 3.27Å; T194-D196 PolarHBondContact O-N 3.2Å; D196-L198 VanDerWaalsContact C-N 3.33Å; D196-L198 PolarHBondContact O-N 3.47Å; D196-Q199 PolarHBondContact O-N 3.36Å; D196-E200 WeakPolarHBondContact O-CB 3.39Å; D196-E200 PolarHBondContact O-N 3.39Å |
| 197 | A | 94.7 | Very high | 95.4 | Very high | 13 Ų | 13 | 44 Ų | 44 | 11% | 0.107 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L159 V192 T194 E200 L201 | L159-A197 HydrophobicContact CD2-CB 3.87Å; V192-A197 HydrophobicContact CG1-CB 4.1Å; T194-A197 PolarHBondContact O-N 3.36Å; T194-A197 WeakPolarHBondContact OG1-CB 3.15Å; T194-A197 PolarHBondContact OG1-N 2.76Å; A197-E200 PolarHBondContact O-N 2.45Å; A197-L201 PolarHBondContact O-N 3.45Å |
| 198 | L | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.1 | -39.3 | 176.1 | -174.7 | 63.1 | 0 | 0 | 0 | 111.4 | V192 T194 D195 D196 L201 V202 L230 I232 P234 F239 L242 | V192-L198 HydrophobicContact CG1-CB 3.88Å; V192-L198 HydrophobicContact CG1-CD1 4.04Å; T194-L198 PolarHBondContact O-N 3.09Å; T194-L198 VanDerWaalsContact O-N 3.09Å; D195-L198 PolarHBondContact O-N 3.32Å; D196-L198 VanDerWaalsContact C-N 3.33Å; D196-L198 PolarHBondContact O-N 3.47Å; L198-L201 HydrophobicContact CD1-CD2 4.39Å; L198-L201 PolarHBondContact O-N 2.96Å; L198-V202 WeakPolarHBondContact O-CG2 3.43Å; L198-V202 PolarHBondContact O-N 3.44Å; L198-V202 VanDerWaalsContact O-N 3.09Å; L198-L230 HydrophobicContact CD1-CD1 4.12Å; L198-I232 HydrophobicContact CD1-CG2 3.93Å; L198-I232 HydrophobicContact CD2-CG2 4.08Å; L198-P234 HydrophobicContact CD2-CG 3.82Å; L198-F239 HydrophobicContact CD1-CB 4.21Å; L198-F239 HydrophobicContact CD1-CD2 4Å; L198-L242 HydrophobicContact CB-CD1 4.34Å; L198-L242 HydrophobicContact CD2-CD1 3.61Å; L198-L242 HydrophobicContact CG-CD1 3.75Å |
| 199 | Q | 95.9 | Very high | 95.5 | Very high | 68 Ų | 68 | 42.2 Ų | 42.2 | 32% | 0.318 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.5 | -40.8 | 175 | -171.9 | 67.7 | 30.2 | 0 | 0 | 111.5 | D195 D196 V202 E203 | D195-Q199 WeakPolarHBondContact O-CB 3.43Å; D195-Q199 PolarHBondContact O-N 2.87Å; D196-Q199 PolarHBondContact O-N 3.36Å; Q199-V202 PolarHBondContact O-N 3.36Å; Q199-E203 PolarHBondContact O-N 2.88Å |
| 200 | E | 96.9 | Very high | 95.5 | Very high | 84 Ų | 84 | 40.8 Ų | 40.8 | 39% | 0.393 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62 | -46.2 | 174.9 | -176.2 | 176 | -168.1 | 0 | 0 | 111.7 | D196 A197 V202 E203 L204 | D196-E200 WeakPolarHBondContact O-CB 3.39Å; D196-E200 PolarHBondContact O-N 3.39Å; A197-E200 PolarHBondContact O-N 2.45Å; E200-V202 VanDerWaalsContact C-N 3.33Å; E200-V202 PolarHBondContact O-N 3.42Å; E200-E203 PolarHBondContact O-N 3.46Å; E200-E203 VanDerWaalsContact O-N 3.14Å; E200-L204 HydrophobicContact CG-CD1 4.17Å; E200-L204 WeakPolarHBondContact O-CG 3.45Å; E200-L204 PolarHBondContact O-N 3.12Å |
| 201 | L | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.6 | -46.1 | 175 | 175.1 | 65.5 | 0 | 0 | 0 | 112 | V163 L188 V192 A197 L198 E203 L204 I205 L230 F239 | V163-L201 HydrophobicContact CG1-CD1 3.93Å; V163-L201 HydrophobicContact CG2-CD1 3.69Å; L188-L201 HydrophobicContact CD1-CD1 4.05Å; L188-L201 HydrophobicContact CD1-CD2 3.91Å; L188-L201 HydrophobicContact CD2-CD1 4.09Å; L188-L201 HydrophobicContact CD2-CD2 4.41Å; V192-L201 HydrophobicContact CG2-CD2 4.41Å; A197-L201 PolarHBondContact O-N 3.45Å; L198-L201 HydrophobicContact CD1-CD2 4.39Å; L198-L201 PolarHBondContact O-N 2.96Å; L201-E203 VanDerWaalsContact C-N 3.32Å; L201-E203 PolarHBondContact O-N 3.39Å; L201-L204 PolarHBondContact O-N 2.87Å; L201-I205 HydrophobicContact CD1-CD1 3.83Å; L201-I205 HydrophobicContact CD1-CG1 4.35Å; L201-I205 HydrophobicContact CG-CD1 4.07Å; L201-I205 WeakPolarHBondContact O-CG1 3.38Å; L201-I205 PolarHBondContact O-N 3.11Å; L201-L230 HydrophobicContact CD2-CD1 3.85Å; L201-F239 HydrophobicContact CD2-CD2 4.22Å; L201-F239 HydrophobicContact CD2-CE2 4.09Å; L201-F239 HydrophobicContact CG-CE2 4.15Å |
| 202 | V | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.9 | -43 | 177.1 | 169 | 0 | 0 | 0 | 0 | 110.8 | L198 Q199 E200 Y206 F239 L242 L243 R246 | L198-V202 WeakPolarHBondContact O-CG2 3.43Å; L198-V202 PolarHBondContact O-N 3.44Å; L198-V202 VanDerWaalsContact O-N 3.09Å; Q199-V202 PolarHBondContact O-N 3.36Å; E200-V202 VanDerWaalsContact C-N 3.33Å; E200-V202 PolarHBondContact O-N 3.42Å; V202-Y206 WeakPolarHBondContact O-CB 3.39Å; V202-Y206 PolarHBondContact O-N 3.47Å; V202-F239 HydrophobicContact CG2-CD2 3.61Å; V202-F239 HydrophobicContact CG2-CE2 3.55Å; V202-F239 HydrophobicContact CG2-CG 4.39Å; V202-F239 HydrophobicContact CG2-CZ 4.29Å; V202-L242 HydrophobicContact CG2-CB 4.08Å; V202-L243 HydrophobicContact CG1-CB 4.33Å; V202-L243 HydrophobicContact CG1-CD1 4.36Å; V202-R246 HydrophobicContact CG1-CB 4.16Å |
| 203 | E | 97.8 | Very high | 95.3 | Very high | 56 Ų | 56 | 45.9 Ų | 45.9 | 26% | 0.262 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 179.7 | -170.4 | 62.5 | -153.4 | 0 | 0 | 111.9 | Q199 E200 L201 Y206 Q207 R246 | Q199-E203 PolarHBondContact O-N 2.88Å; E200-E203 PolarHBondContact O-N 3.46Å; E200-E203 VanDerWaalsContact O-N 3.14Å; L201-E203 VanDerWaalsContact C-N 3.32Å; L201-E203 PolarHBondContact O-N 3.39Å; E203-Y206 PolarHBondContact O-N 3.3Å; E203-Q207 HydrophobicContact CG-CG 4.21Å; E203-Q207 WeakPolarHBondContact O-CB 3.47Å; E203-Q207 VanDerWaalsContact O-CG 3.22Å; E203-Q207 WeakPolarHBondContact O-CG 3.39Å; E203-Q207 PolarHBondContact O-N 3.43Å; E203-Q207 PolarHBondContact OE1-NE2 2.93Å; E203-R246 IonicContact OE1-CZ 2.88Å; E203-R246 IonicContact OE1-NE 3.09Å; E203-R246 PolarHBondContact OE1-NE 3.48Å; E203-R246 IonicContact OE1-NH2 2.78Å; E203-R246 PolarHBondContact OE1-NH2 3.3Å; E203-R246 VanDerWaalsContact OE2-CD 3.27Å; E203-R246 WeakPolarHBondContact OE2-CD 3.28Å; E203-R246 IonicContact OE2-CZ 3.78Å; E203-R246 IonicContact OE2-NE 3.02Å; E203-R246 PolarHBondContact OE2-NE 2.9Å; E203-R246 IonicContact OE2-NH2 3.63Å |
| 204 | L | 97.9 | Very high | 95.2 | Very high | 25 Ų | 25 | 48.7 Ų | 48.7 | 13% | 0.131 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 179.7 | -69.6 | 167.5 | 0 | 0 | 0 | 111.8 | V163 L167 E200 L201 Y206 Q207 Q208 | V163-L204 HydrophobicContact CB-CD1 3.91Å; V163-L204 HydrophobicContact CG1-CB 3.86Å; V163-L204 HydrophobicContact CG1-CD1 3.82Å; V163-L204 HydrophobicContact CG1-CG 4.49Å; L167-L204 HydrophobicContact CD1-CB 4.32Å; E200-L204 HydrophobicContact CG-CD1 4.17Å; E200-L204 WeakPolarHBondContact O-CG 3.45Å; E200-L204 PolarHBondContact O-N 3.12Å; L201-L204 PolarHBondContact O-N 2.87Å; L204-Y206 VanDerWaalsContact C-N 3.33Å; L204-Y206 PolarHBondContact O-N 3.33Å; L204-Q207 PolarHBondContact O-N 3.32Å; L204-Q208 PolarHBondContact O-N 3.36Å |
| 205 | I | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -42.4 | 178.4 | -62.9 | 169.4 | 0 | 0 | 0 | 110.6 | L167 L201 Q208 A209 L222 L226 F239 | L167-I205 HydrophobicContact CD1-CG1 4.29Å; L167-I205 HydrophobicContact CD2-CG1 4.26Å; L201-I205 HydrophobicContact CD1-CD1 3.83Å; L201-I205 HydrophobicContact CD1-CG1 4.35Å; L201-I205 HydrophobicContact CG-CD1 4.07Å; L201-I205 WeakPolarHBondContact O-CG1 3.38Å; L201-I205 PolarHBondContact O-N 3.11Å; I205-Q208 PolarHBondContact O-N 3.22Å; I205-A209 WeakPolarHBondContact O-CB 3.2Å; I205-A209 PolarHBondContact O-N 3Å; I205-L222 HydrophobicContact CD1-CD2 4.11Å; I205-L222 HydrophobicContact CD1-CG 4.4Å; I205-L222 HydrophobicContact CG1-CD2 4.14Å; I205-L222 HydrophobicContact CG2-CD2 4.26Å; I205-L226 HydrophobicContact CD1-CD1 3.38Å; I205-F239 HydrophobicContact CD1-CE2 4.04Å; I205-F239 HydrophobicContact CD1-CZ 3.9Å |
| 206 | Y | 97.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.6 | -47.8 | 177.9 | -177.6 | -85.5 | 0 | 0 | 0 | 111.9 | V202 E203 L204 Q208 A209 T210 R246 E250 F271 F274 | V202-Y206 WeakPolarHBondContact O-CB 3.39Å; V202-Y206 PolarHBondContact O-N 3.47Å; E203-Y206 PolarHBondContact O-N 3.3Å; L204-Y206 VanDerWaalsContact C-N 3.33Å; L204-Y206 PolarHBondContact O-N 3.33Å; Y206-Q208 VanDerWaalsContact C-N 3.33Å; Y206-Q208 PolarHBondContact O-N 3.02Å; Y206-A209 PolarHBondContact O-N 3.34Å; Y206-T210 HydrophobicContact CD1-CG2 4.38Å; Y206-T210 HydrophobicContact CE1-CG2 3.95Å; Y206-T210 HydrophobicContact CE2-CG2 4.31Å; Y206-T210 WeakPolarHBondContact O-CG2 3.42Å; Y206-T210 PolarHBondContact O-N 3.12Å; Y206-T210 PolarHBondContact O-OG1 3.07Å; Y206-R246 HydrophobicContact CD1-CG 4.33Å; Y206-R246 HydrophobicContact CD2-CG 3.83Å; Y206-R246 VanDerWaalsContact CE1-NH1 3.25Å; Y206-R246 HydrophobicContact CE2-CG 4.13Å; Y206-R246 HydrophobicContact CG-CG 3.9Å; Y206-R246 VanDerWaalsContact CZ-NH1 3.29Å; Y206-R246 PolarHBondContact OH-NH1 3.1Å; Y206-E250 WeakPolarHBondContact OH-CB 3.35Å; Y206-E250 PolarHBondContact OH-OE2 2.67Å; Y206-F271 HydrophobicContact CE2-CD2 4.39Å; Y206-F271 HydrophobicContact CE2-CE2 4.48Å; Y206-F271 WeakPolarHBondContact OH-CD2 3.4Å; Y206-F271 WeakPolarHBondContact OH-CE2 3.4Å; Y206-F274 AromaticContact CD2-CE1 3.93Å; Y206-F274 HydrophobicContact CD2-CE1 3.93Å; Y206-F274 HydrophobicContact CE2-CD1 4.4Å; Y206-F274 HydrophobicContact CE2-CE1 4.16Å |
| 207 | Q | 96.9 | Very high | 95.6 | Very high | 80 Ų | 80 | 42 Ų | 42 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 179.4 | -72.5 | -64.9 | -21 | 0 | 0 | 110.9 | E203 L204 T210 S211 | E203-Q207 HydrophobicContact CG-CG 4.21Å; E203-Q207 WeakPolarHBondContact O-CB 3.47Å; E203-Q207 VanDerWaalsContact O-CG 3.22Å; E203-Q207 WeakPolarHBondContact O-CG 3.39Å; E203-Q207 PolarHBondContact O-N 3.43Å; E203-Q207 PolarHBondContact OE1-NE2 2.93Å; L204-Q207 PolarHBondContact O-N 3.32Å; Q207-T210 PolarHBondContact O-N 3.44Å; Q207-S211 WeakPolarHBondContact O-CA 3.42Å; Q207-S211 WeakPolarHBondContact O-CB 3.19Å; Q207-S211 PolarHBondContact O-N 3.37Å; Q207-S211 PolarHBondContact O-OG 3.33Å |
| 208 | Q | 96.9 | Very high | 95.7 | Very high | 11 Ų | 11 | 42 Ų | 42 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.1 | -49.2 | 175.4 | -165.5 | 79.1 | -2.8 | 0 | 0 | 111.3 | L167 T171 L204 I205 Y206 T210 S211 I212 F215 | L167-Q208 HydrophobicContact CB-CG 4.02Å; L167-Q208 HydrophobicContact CD1-CB 3.99Å; L167-Q208 HydrophobicContact CD1-CG 4.39Å; L167-Q208 HydrophobicContact CD2-CG 4.49Å; T171-Q208 PolarHBondContact OG1-NE2 3.45Å; L204-Q208 PolarHBondContact O-N 3.36Å; I205-Q208 PolarHBondContact O-N 3.22Å; Y206-Q208 VanDerWaalsContact C-N 3.33Å; Y206-Q208 PolarHBondContact O-N 3.02Å; Q208-T210 PolarHBondContact O-N 2.99Å; Q208-S211 PolarHBondContact O-N 3.2Å; Q208-I212 HydrophobicContact CG-CG1 4.12Å; Q208-I212 WeakPolarHBondContact O-CB 3.47Å; Q208-I212 PolarHBondContact O-N 3.01Å; Q208-F215 HydrophobicContact CB-CD1 4.11Å; Q208-F215 HydrophobicContact CB-CE1 4.08Å; Q208-F215 HydrophobicContact CG-CD1 3.55Å; Q208-F215 HydrophobicContact CG-CD2 4.35Å; Q208-F215 HydrophobicContact CG-CE1 3.57Å; Q208-F215 HydrophobicContact CG-CE2 4.36Å; Q208-F215 HydrophobicContact CG-CG 3.95Å; Q208-F215 HydrophobicContact CG-CZ 4Å |
| 209 | A | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.2 | -22.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | I205 Y206 F215 S216 F274 | I205-A209 WeakPolarHBondContact O-CB 3.2Å; I205-A209 PolarHBondContact O-N 3Å; Y206-A209 PolarHBondContact O-N 3.34Å; A209-F215 HydrophobicContact CB-CD1 4.31Å; A209-S216 PolarHBondContact O-OG 2.98Å; A209-S216 VanDerWaalsContact O-OG 3.09Å; A209-F274 HydrophobicContact CB-CD1 4.46Å; A209-F274 HydrophobicContact CB-CD2 3.51Å; A209-F274 HydrophobicContact CB-CE1 4.44Å; A209-F274 HydrophobicContact CB-CE2 3.48Å; A209-F274 VanDerWaalsContact CB-CE2 3.48Å; A209-F274 HydrophobicContact CB-CG 4.02Å; A209-F274 HydrophobicContact CB-CZ 3.97Å |
| 210 | T | 95.7 | Very high | 95.9 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 9% | 0.092 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -107.8 | -14.5 | -178.8 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | Y206 Q207 Q208 A270 F271 F274 | Y206-T210 HydrophobicContact CD1-CG2 4.38Å; Y206-T210 HydrophobicContact CE1-CG2 3.95Å; Y206-T210 HydrophobicContact CE2-CG2 4.31Å; Y206-T210 WeakPolarHBondContact O-CG2 3.42Å; Y206-T210 PolarHBondContact O-N 3.12Å; Y206-T210 PolarHBondContact O-OG1 3.07Å; Q207-T210 PolarHBondContact O-N 3.44Å; Q208-T210 PolarHBondContact O-N 2.99Å; T210-A270 WeakPolarHBondContact O-CB 3.16Å; T210-F271 HydrophobicContact CG2-CB 4.49Å; T210-F274 HydrophobicContact CG2-CB 4.21Å; T210-F274 HydrophobicContact CG2-CD1 3.92Å; T210-F274 HydrophobicContact CG2-CG 4.27Å |
| 211 | S | 94.1 | Very high | 95.9 | Very high | 73 Ų | 73 | 38 Ų | 38 | 51% | 0.51 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -106.9 | -28.6 | 179.2 | -57.9 | 0 | 0 | 0 | 0 | 113.4 | Q207 Q208 | Q207-S211 WeakPolarHBondContact O-CA 3.42Å; Q207-S211 WeakPolarHBondContact O-CB 3.19Å; Q207-S211 PolarHBondContact O-N 3.37Å; Q207-S211 PolarHBondContact O-OG 3.33Å; Q208-S211 PolarHBondContact O-N 3.2Å |
| 212 | I | 92.1 | Very high | 95.9 | Very high | 57 Ų | 57 | 38 Ų | 38 | 29% | 0.292 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -97.1 | 123.1 | -177.5 | -57.2 | -55 | 0 | 0 | 0 | 110.7 | T171 Q208 F215 | T171-I212 HydrophobicContact CG2-CG2 3.67Å; Q208-I212 HydrophobicContact CG-CG1 4.12Å; Q208-I212 WeakPolarHBondContact O-CB 3.47Å; Q208-I212 PolarHBondContact O-N 3.01Å; I212-F215 HydrophobicContact CB-CB 4.1Å; I212-F215 HydrophobicContact CG2-CB 4.12Å; I212-F215 PolarHBondContact O-N 2.9Å |
| 213 | P | 86.6 | Confident | 95.9 | Very high | 101 Ų | 101 | 38 Ų | 38 | 66% | 0.656 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 143.8 | 176 | -23.4 | 33.3 | 0 | 0 | 0 | 112.1 | F215 | P213-F215 PolarHBondContact O-N 3.41Š|
| 214 | N | 89 | Confident | 95.9 | Very high | 162 Ų | 162 | 36.6 Ų | 36.6 | 87% | 0.866 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | -0.1 | 177.5 | -48.2 | -42.3 | 0 | 0 | 0 | 116 | ||
| 215 | F | 95.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | trans | -83.1 | -14.2 | 177.3 | -161.7 | -98.6 | 0 | 0 | 0 | 113.4 | L167 L170 T171 Q208 A209 I212 P213 Y217 M218 G219 | L167-F215 HydrophobicContact CD2-CE1 4Å; L167-F215 HydrophobicContact CD2-CZ 3.76Å; L170-F215 HydrophobicContact CB-CE2 3.82Å; L170-F215 HydrophobicContact CB-CZ 4.2Å; T171-F215 HydrophobicContact CG2-CD2 4.49Å; T171-F215 WeakPolarHBondContact OG1-CD2 3.45Å; T171-F215 WeakPolarHBondContact OG1-CE2 3.33Å; Q208-F215 HydrophobicContact CB-CD1 4.11Å; Q208-F215 HydrophobicContact CB-CE1 4.08Å; Q208-F215 HydrophobicContact CG-CD1 3.55Å; Q208-F215 HydrophobicContact CG-CD2 4.35Å; Q208-F215 HydrophobicContact CG-CE1 3.57Å; Q208-F215 HydrophobicContact CG-CE2 4.36Å; Q208-F215 HydrophobicContact CG-CG 3.95Å; Q208-F215 HydrophobicContact CG-CZ 4Å; A209-F215 HydrophobicContact CB-CD1 4.31Å; I212-F215 HydrophobicContact CB-CB 4.1Å; I212-F215 HydrophobicContact CG2-CB 4.12Å; I212-F215 PolarHBondContact O-N 2.9Å; P213-F215 PolarHBondContact O-N 3.41Å; F215-Y217 VanDerWaalsContact C-N 3.32Å; F215-Y217 PolarHBondContact O-N 3.16Å; F215-M218 HydrophobicContact CD2-CB 4.11Å; F215-M218 HydrophobicContact CD2-CG 4.36Å; F215-M218 HydrophobicContact CE2-CB 4.02Å; F215-M218 HydrophobicContact CE2-CG 3.78Å; F215-M218 HydrophobicContact CG-CB 4.46Å; F215-M218 HydrophobicContact CZ-CB 4.29Å; F215-M218 HydrophobicContact CZ-CG 3.97Å; F215-M218 PolarHBondContact O-N 3.3Å; F215-G219 PolarHBondContact O-N 3.47Å | ||
| 216 | S | 95.9 | Very high | 95.9 | Very high | 20 Ų | 20 | 37.2 Ų | 37.2 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.7 | -41.1 | -172.7 | -51.5 | 0 | 0 | 0 | 0 | 113.9 | A209 A220 | A209-S216 PolarHBondContact O-OG 2.98Å; A209-S216 VanDerWaalsContact O-OG 3.09Å; S216-A220 WeakPolarHBondContact O-CB 3.48Å; S216-A220 PolarHBondContact O-N 3.38Å |
| 217 | Y | 96.8 | Very high | 95.7 | Very high | 113 Ų | 113 | 38.4 Ų | 38.4 | 44% | 0.443 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.7 | -49.4 | 174.3 | 167 | -103.3 | 0 | 0 | 0 | 111.7 | F215 G219 A220 R221 | F215-Y217 VanDerWaalsContact C-N 3.32Å; F215-Y217 PolarHBondContact O-N 3.16Å; Y217-G219 PolarHBondContact O-N 2.94Å; Y217-A220 PolarHBondContact O-N 3.33Å; Y217-R221 WeakPolarHBondContact O-CB 3.43Å; Y217-R221 PolarHBondContact O-N 3.38Å |
| 218 | M | 97.5 | Very high | 95.6 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 5% | 0.054 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.4 | -43.6 | -179.6 | -174 | 54.8 | 76.2 | 0 | 0 | 111.4 | L170 P174 F177 F215 A220 R221 L222 | L170-M218 HydrophobicContact CB-CG 4.21Å; L170-M218 HydrophobicContact CD1-CG 4.24Å; L170-M218 HydrophobicContact CD1-SD 4.46Å; P174-M218 HydrophobicContact CB-CE 3.72Å; P174-M218 VanDerWaalsContact O-CE 3.25Å; P174-M218 WeakPolarHBondContact O-CE 3.19Å; F177-M218 HydrophobicContact CB-CE 4.06Å; F177-M218 HydrophobicContact CB-SD 4.11Å; F177-M218 HydrophobicContact CD2-CE 4.37Å; F177-M218 HydrophobicContact CD2-SD 3.32Å; F177-M218 WeakPolarHBondContact CD2-SD 3.43Å; F177-M218 HydrophobicContact CE2-SD 3.92Å; F177-M218 HydrophobicContact CG-CE 4.41Å; F177-M218 HydrophobicContact CG-SD 3.87Å; F215-M218 HydrophobicContact CD2-CB 4.11Å; F215-M218 HydrophobicContact CD2-CG 4.36Å; F215-M218 HydrophobicContact CE2-CB 4.02Å; F215-M218 HydrophobicContact CE2-CG 3.78Å; F215-M218 HydrophobicContact CG-CB 4.46Å; F215-M218 HydrophobicContact CZ-CB 4.29Å; F215-M218 HydrophobicContact CZ-CG 3.97Å; F215-M218 PolarHBondContact O-N 3.3Å; M218-A220 PolarHBondContact O-N 3.31Å; M218-R221 WeakPolarHBondContact O-CB 3.12Å; M218-R221 PolarHBondContact O-N 3.17Å; M218-L222 WeakPolarHBondContact O-CB 3.46Å; M218-L222 PolarHBondContact O-N 2.73Å |
| 219 | G | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F215 Y217 L222 C223 | F215-G219 PolarHBondContact O-N 3.47Å; Y217-G219 PolarHBondContact O-N 2.94Å; G219-L222 PolarHBondContact O-N 3.38Å; G219-C223 WeakPolarHBondContact O-CB 3.47Å; G219-C223 PolarHBondContact O-N 2.98Å; G219-C223 PolarHBondContact O-SG 3.4Å |
| 220 | A | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.5 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S216 Y217 M218 C223 N224 F274 E277 L278 N281 | S216-A220 WeakPolarHBondContact O-CB 3.48Å; S216-A220 PolarHBondContact O-N 3.38Å; Y217-A220 PolarHBondContact O-N 3.33Å; M218-A220 PolarHBondContact O-N 3.31Å; A220-C223 PolarHBondContact O-N 2.99Å; A220-N224 PolarHBondContact O-N 2.96Å; A220-F274 HydrophobicContact CB-CE2 4.35Å; A220-E277 HydrophobicContact CB-CB 3.6Å; A220-L278 HydrophobicContact CB-CB 4.48Å; A220-L278 HydrophobicContact CB-CD1 4.43Å; A220-N281 HydrophobicContact CB-CB 4.25Å |
| 221 | R | 97.5 | Very high | 95.2 | Very high | 70 Ų | 70 | 46.8 Ų | 46.8 | 26% | 0.264 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -46.2 | 174.6 | -170.1 | -175.8 | -176.2 | -163.4 | 1.7 | 111.6 | F177 E178 Y217 M218 N224 Y225 | F177-R221 VanDerWaalsContact CD1-NH1 3.35Å; F177-R221 HydrophobicContact CE1-CG 4.03Å; F177-R221 HydrophobicContact CE2-CG 4.5Å; F177-R221 HydrophobicContact CZ-CG 3.89Å; E178-R221 IonicContact OE1-CZ 2.76Å; E178-R221 IonicContact OE1-NH1 3.25Å; E178-R221 PolarHBondContact OE1-NH1 3.23Å; E178-R221 IonicContact OE1-NH2 2.84Å; E178-R221 PolarHBondContact OE1-NH2 3.38Å; Y217-R221 WeakPolarHBondContact O-CB 3.43Å; Y217-R221 PolarHBondContact O-N 3.38Å; M218-R221 WeakPolarHBondContact O-CB 3.12Å; M218-R221 PolarHBondContact O-N 3.17Å; R221-N224 PolarHBondContact O-N 3.42Å; R221-Y225 PolarHBondContact O-N 2.72Å |
| 222 | L | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.4 | -46.7 | 174.7 | 178.5 | 60 | 0 | 0 | 0 | 111.2 | F166 L167 L170 F177 I181 F184 I205 M218 G219 N224 Y225 L226 | F166-L222 HydrophobicContact CE1-CD1 4.39Å; L167-L222 HydrophobicContact CD2-CD2 3.55Å; L170-L222 HydrophobicContact CD1-CD2 4.32Å; F177-L222 HydrophobicContact CE2-CB 4.12Å; F177-L222 HydrophobicContact CE2-CD1 4.18Å; I181-L222 HydrophobicContact CD1-CD1 3.36Å; F184-L222 HydrophobicContact CD1-CD1 4.32Å; F184-L222 HydrophobicContact CE1-CD1 4.11Å; I205-L222 HydrophobicContact CD1-CD2 4.11Å; I205-L222 HydrophobicContact CD1-CG 4.4Å; I205-L222 HydrophobicContact CG1-CD2 4.14Å; I205-L222 HydrophobicContact CG2-CD2 4.26Å; M218-L222 WeakPolarHBondContact O-CB 3.46Å; M218-L222 PolarHBondContact O-N 2.73Å; G219-L222 PolarHBondContact O-N 3.38Å; L222-N224 VanDerWaalsContact C-N 3.3Å; L222-N224 PolarHBondContact O-N 3.36Å; L222-Y225 PolarHBondContact O-N 2.86Å; L222-L226 HydrophobicContact CD1-CD1 3.93Å; L222-L226 HydrophobicContact CD1-CD2 4.46Å; L222-L226 HydrophobicContact CD1-CG 3.96Å; L222-L226 HydrophobicContact CG-CD1 3.98Å; L222-L226 HydrophobicContact CG-CG 4.37Å; L222-L226 WeakPolarHBondContact O-CG 3.5Å; L222-L226 PolarHBondContact O-N 3.4Å |
| 223 | C | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.4 | -42 | 177.1 | -73.3 | 0 | 0 | 0 | 0 | 112.3 | G219 A220 S227 F239 L243 L278 | G219-C223 WeakPolarHBondContact O-CB 3.47Å; G219-C223 PolarHBondContact O-N 2.98Å; G219-C223 PolarHBondContact O-SG 3.4Å; A220-C223 PolarHBondContact O-N 2.99Å; C223-S227 WeakPolarHBondContact O-CB 3.4Å; C223-S227 PolarHBondContact O-N 3.06Å; C223-F239 HydrophobicContact CB-CE1 4.15Å; C223-L243 HydrophobicContact CB-CD2 3.66Å; C223-L278 HydrophobicContact CB-CD1 3.91Å |
| 224 | N | 97.6 | Very high | 94.8 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 14% | 0.139 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.5 | -48.1 | 176.5 | -173.6 | 55.1 | 0 | 0 | 0 | 111.5 | A220 R221 L222 S227 N281 L282 E283 | A220-N224 PolarHBondContact O-N 2.96Å; R221-N224 PolarHBondContact O-N 3.42Å; L222-N224 VanDerWaalsContact C-N 3.3Å; L222-N224 PolarHBondContact O-N 3.36Å; N224-S227 WeakPolarHBondContact O-CB 3.38Å; N224-S227 PolarHBondContact O-N 3.31Å; N224-S227 PolarHBondContact O-OG 2.9Å; N224-N281 VanDerWaalsContact CB-O 3.31Å; N224-N281 WeakPolarHBondContact CB-O 3.37Å; N224-N281 PolarHBondContact ND2-O 2.98Å; N224-N281 PolarHBondContact OD1-O 3.23Å; N224-L282 HydrophobicContact CB-CD1 4.46Å; N224-E283 WeakPolarHBondContact OD1-CB 3.36Å; N224-E283 PolarHBondContact OD1-N 3.08Å |
| 225 | Y | 97.3 | Very high | 94.5 | Very high | 37 Ų | 37 | 44.6 Ų | 44.6 | 15% | 0.145 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.6 | -53.5 | 178.8 | -170.4 | -80 | 0 | 0 | 0 | 111.3 | I181 E182 A185 R221 L222 S227 H228 H229 | I181-Y225 HydrophobicContact CD1-CD1 3.84Å; I181-Y225 HydrophobicContact CD1-CE1 4.27Å; I181-Y225 HydrophobicContact CD1-CG 4.17Å; I181-Y225 HydrophobicContact CG1-CD1 3.39Å; I181-Y225 HydrophobicContact CG1-CD2 3.81Å; I181-Y225 HydrophobicContact CG1-CE1 3.53Å; I181-Y225 HydrophobicContact CG1-CE2 3.91Å; I181-Y225 HydrophobicContact CG1-CG 3.55Å; I181-Y225 HydrophobicContact CG2-CD2 4.35Å; I181-Y225 HydrophobicContact CG2-CE2 3.86Å; E182-Y225 WeakPolarHBondContact CG-OH 3.49Å; A185-Y225 HydrophobicContact CB-CD1 4.43Å; A185-Y225 HydrophobicContact CB-CE1 3.75Å; R221-Y225 PolarHBondContact O-N 2.72Å; L222-Y225 PolarHBondContact O-N 2.86Å; Y225-S227 PolarHBondContact O-N 2.91Å; Y225-H228 PolarHBondContact O-N 2.75Å; Y225-H229 HydrophobicContact CD1-CB 3.99Å; Y225-H229 AromaticContact CD1-CD2 3.77Å; Y225-H229 AromaticContact CD1-CG 3.92Å; Y225-H229 HydrophobicContact CE1-CB 3.59Å; Y225-H229 AromaticContact CE1-CD2 3.56Å; Y225-H229 AromaticContact CE1-CG 3.38Å; Y225-H229 AromaticContact CE1-ND1 3.86Å; Y225-H229 AromaticContact CE2-CD2 3.84Å; Y225-H229 AromaticContact CE2-NE2 3.69Å; Y225-H229 AromaticContact CG-CD2 3.97Å; Y225-H229 AromaticContact CZ-CD2 3.61Å; Y225-H229 AromaticContact CZ-CE1 3.69Å; Y225-H229 AromaticContact CZ-CG 3.62Å; Y225-H229 AromaticContact CZ-ND1 3.66Å; Y225-H229 AromaticContact CZ-NE2 3.71Å; Y225-H229 PolarHBondContact O-CD2 3.35Å; Y225-H229 VanDerWaalsContact O-CD2 3.23Å; Y225-H229 PolarHBondContact O-N 2.71Å; Y225-H229 PolarHBondContact OH-ND1 3.43Å |
| 226 | L | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -31 | 179.9 | -65.3 | 179 | 0 | 0 | 0 | 112.6 | F184 A185 L188 I205 L222 H228 H229 L230 F239 | F184-L226 HydrophobicContact CD1-CD2 4.37Å; F184-L226 HydrophobicContact CE1-CD1 4.38Å; F184-L226 HydrophobicContact CE1-CD2 4.31Å; A185-L226 HydrophobicContact CB-CD2 4.34Å; L188-L226 HydrophobicContact CD1-CD1 4.37Å; L188-L226 HydrophobicContact CD1-CD2 3.79Å; I205-L226 HydrophobicContact CD1-CD1 3.38Å; L222-L226 HydrophobicContact CD1-CD1 3.93Å; L222-L226 HydrophobicContact CD1-CD2 4.46Å; L222-L226 HydrophobicContact CD1-CG 3.96Å; L222-L226 HydrophobicContact CG-CD1 3.98Å; L222-L226 HydrophobicContact CG-CG 4.37Å; L222-L226 WeakPolarHBondContact O-CG 3.5Å; L222-L226 PolarHBondContact O-N 3.4Å; L226-H228 PolarHBondContact O-N 3.02Å; L226-H229 PolarHBondContact O-N 3.39Å; L226-L230 HydrophobicContact CB-CD1 4Å; L226-L230 HydrophobicContact CB-CG 4.16Å; L226-L230 HydrophobicContact CD2-CD1 4.49Å; L226-L230 HydrophobicContact CD2-CD2 4.35Å; L226-L230 HydrophobicContact CD2-CG 4.24Å; L226-L230 VanDerWaalsContact O-CB 3.32Å; L226-L230 WeakPolarHBondContact O-CB 3.35Å; L226-L230 WeakPolarHBondContact O-CG 3.26Å; L226-L230 PolarHBondContact O-N 3.17Å; L226-F239 HydrophobicContact CB-CD1 4.17Å; L226-F239 HydrophobicContact CB-CE1 4.01Å; L226-F239 HydrophobicContact CB-CE2 4.43Å; L226-F239 HydrophobicContact CB-CG 4.48Å; L226-F239 HydrophobicContact CB-CZ 4.15Å; L226-F239 HydrophobicContact CD1-CE2 4.13Å; L226-F239 HydrophobicContact CD1-CZ 4Å |
| 227 | S | 95.6 | Very high | 93.7 | Very high | 27 Ų | 27 | 46.5 Ų | 46.5 | 19% | 0.189 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -20.1 | 175.8 | 85.1 | 0 | 0 | 0 | 0 | 114.4 | C223 N224 Y225 | C223-S227 WeakPolarHBondContact O-CB 3.4Å; C223-S227 PolarHBondContact O-N 3.06Å; N224-S227 WeakPolarHBondContact O-CB 3.38Å; N224-S227 PolarHBondContact O-N 3.31Å; N224-S227 PolarHBondContact O-OG 2.9Å; Y225-S227 PolarHBondContact O-N 2.91Å |
| 228 | H | 94.1 | Very high | 93.6 | Very high | 60 Ų | 60 | 43.3 Ų | 43.3 | 28% | 0.278 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -105.9 | -27.7 | 179.4 | -68.6 | -28.1 | 0 | 0 | 0 | 113.5 | Y225 L226 E283 | Y225-H228 PolarHBondContact O-N 2.75Å; L226-H228 PolarHBondContact O-N 3.02Å; H228-E283 PolarHBondContact CE1-O 3.46Å; H228-E283 VanDerWaalsContact CE1-O 3.32Å |
| 229 | H | 95.1 | Very high | 93.5 | Very high | 87 Ų | 87 | 42.9 Ų | 42.9 | 40% | 0.403 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -105.5 | -13.1 | -171 | -70.1 | -98.7 | 0 | 0 | 0 | 114 | A185 N189 Y225 L226 | A185-H229 HydrophobicContact CB-CB 4.23Å; N189-H229 PolarHBondContact ND2-O 2.68Å; Y225-H229 HydrophobicContact CD1-CB 3.99Å; Y225-H229 AromaticContact CD1-CD2 3.77Å; Y225-H229 AromaticContact CD1-CG 3.92Å; Y225-H229 HydrophobicContact CE1-CB 3.59Å; Y225-H229 AromaticContact CE1-CD2 3.56Å; Y225-H229 AromaticContact CE1-CG 3.38Å; Y225-H229 AromaticContact CE1-ND1 3.86Å; Y225-H229 AromaticContact CE2-CD2 3.84Å; Y225-H229 AromaticContact CE2-NE2 3.69Å; Y225-H229 AromaticContact CG-CD2 3.97Å; Y225-H229 AromaticContact CZ-CD2 3.61Å; Y225-H229 AromaticContact CZ-CE1 3.69Å; Y225-H229 AromaticContact CZ-CG 3.62Å; Y225-H229 AromaticContact CZ-ND1 3.66Å; Y225-H229 AromaticContact CZ-NE2 3.71Å; Y225-H229 PolarHBondContact O-CD2 3.35Å; Y225-H229 VanDerWaalsContact O-CD2 3.23Å; Y225-H229 PolarHBondContact O-N 2.71Å; Y225-H229 PolarHBondContact OH-ND1 3.43Å; L226-H229 PolarHBondContact O-N 3.39Å |
| 230 | L | 94.3 | Very high | 93.4 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 11% | 0.11 | 24% | 0.24 | C | C | . | . | trans | -79.2 | 127.6 | 169.7 | -67.3 | -179.2 | 0 | 0 | 0 | 111 | L188 L198 L201 L226 F239 | L188-L230 HydrophobicContact CB-CD2 3.84Å; L188-L230 HydrophobicContact CD1-CD2 4.34Å; L198-L230 HydrophobicContact CD1-CD1 4.12Å; L201-L230 HydrophobicContact CD2-CD1 3.85Å; L226-L230 HydrophobicContact CB-CD1 4Å; L226-L230 HydrophobicContact CB-CG 4.16Å; L226-L230 HydrophobicContact CD2-CD1 4.49Å; L226-L230 HydrophobicContact CD2-CD2 4.35Å; L226-L230 HydrophobicContact CD2-CG 4.24Å; L226-L230 VanDerWaalsContact O-CB 3.32Å; L226-L230 WeakPolarHBondContact O-CB 3.35Å; L226-L230 WeakPolarHBondContact O-CG 3.26Å; L226-L230 PolarHBondContact O-N 3.17Å; L230-F239 HydrophobicContact CD1-CB 4.04Å; L230-F239 HydrophobicContact CD1-CD2 3.75Å; L230-F239 HydrophobicContact CD1-CG 4.01Å | ||
| 231 | T | 91.5 | Very high | 93.2 | Very high | 114 Ų | 114 | 50.2 Ų | 50.2 | 70% | 0.699 | 26% | 0.262 | S | S | * | . | trans | -87.1 | -22.2 | -177.6 | 60.1 | 0 | 0 | 0 | 0 | 112.8 | N189 S233 | N189-T231 WeakPolarHBondContact OD1-CB 3.34Å; N189-T231 PolarHBondContact OD1-N 3.18Å; N189-T231 PolarHBondContact OD1-OG1 2.97Å; T231-S233 PolarHBondContact O-N 2.9Å | ||
| 232 | I | 89.9 | Confident | 93.2 | Very high | 28 Ų | 28 | 47 Ų | 47 | 14% | 0.144 | 25% | 0.25 | C | S | . | . | trans | -66.1 | 125.7 | 178.5 | -169.4 | 175.2 | 0 | 0 | 0 | 110.6 | V192 L198 P234 | V192-I232 HydrophobicContact CG1-CD1 4.45Å; V192-I232 HydrophobicContact CG1-CG2 4.4Å; V192-I232 WeakPolarHBondContact O-CD1 3.33Å; L198-I232 HydrophobicContact CD1-CG2 3.93Å; L198-I232 HydrophobicContact CD2-CG2 4.08Å; I232-P234 HydrophobicContact CD1-CG 4.05Å; I232-P234 HydrophobicContact CG1-CG 3.89Å | ||
| 233 | S | 87.4 | Confident | 93.1 | Very high | 89 Ų | 89 | 47.1 Ų | 47.1 | 62% | 0.622 | 25% | 0.25 | S | S | * | . | trans | -136.7 | 77.7 | 174.3 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | T231 | T231-S233 PolarHBondContact O-N 2.9Š| ||
| 234 | P | 86.3 | Confident | 93 | Very high | 20 Ų | 20 | 49 Ų | 49 | 13% | 0.13 | 26% | 0.26 | C | S | . | . | trans | -70.6 | 169.8 | -179.8 | 6.9 | 7.8 | 0 | 0 | 0 | 112.3 | D195 L198 I232 S236 G237 | D195-P234 VanDerWaalsContact CG-CB 3.46Å; D195-P234 WeakPolarHBondContact OD1-CB 3.32Å; L198-P234 HydrophobicContact CD2-CG 3.82Å; I232-P234 HydrophobicContact CD1-CG 4.05Å; I232-P234 HydrophobicContact CG1-CG 3.89Å; P234-S236 PolarHBondContact O-N 3.34Å; P234-G237 WeakPolarHBondContact CD-O 3.49Å; P234-G237 PolarHBondContact O-N 2.86Å; P234-G237 VanDerWaalsContact O-N 3.13Å | ||
| 235 | Q | 83.7 | Confident | 93 | Very high | 209 Ų | 209 | 53.1 Ų | 53.1 | 98% | 0.977 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -28 | -178.8 | -66 | -167.3 | -1.9 | 0 | 0 | 112.8 | G237 | Q235-G237 PolarHBondContact O-N 3.34Š|
| 236 | S | 85.4 | Confident | 92.9 | Very high | 58 Ų | 58 | 53.1 Ų | 53.1 | 41% | 0.406 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -20.6 | 175.5 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | D195 P234 | D195-S236 VanDerWaalsContact CG-OG 3.29Å; D195-S236 VanDerWaalsContact OD2-CB 3.3Å; D195-S236 WeakPolarHBondContact OD2-CB 3.48Å; D195-S236 PolarHBondContact OD2-OG 2.8Å; P234-S236 PolarHBondContact O-N 3.34Å |
| 237 | G | 89.8 | Confident | 92.9 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 7% | 0.072 | 28% | 0.28 | C | S | . | . | trans | 126.6 | 155.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P234 Q235 | P234-G237 WeakPolarHBondContact CD-O 3.49Å; P234-G237 PolarHBondContact O-N 2.86Å; P234-G237 VanDerWaalsContact O-N 3.13Å; Q235-G237 PolarHBondContact O-N 3.34Å | ||
| 238 | N | 93.4 | Very high | 93 | Very high | 45 Ų | 45 | 59.7 Ų | 59.7 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | trans | -72.4 | 170.7 | 176.3 | 65.2 | 32.6 | 0 | 0 | 0 | 112.2 | R240 Q241 L242 | N238-R240 PolarHBondContact O-N 3.15Å; N238-R240 VanDerWaalsContact O-N 3.09Å; N238-R240 WeakPolarHBondContact OD1-CB 3.36Å; N238-R240 PolarHBondContact OD1-N 3.01Å; N238-Q241 WeakPolarHBondContact O-CB 3.43Å; N238-Q241 PolarHBondContact O-N 2.93Å; N238-Q241 WeakPolarHBondContact OD1-CG 3.49Å; N238-Q241 PolarHBondContact OD1-N 3.47Å; N238-Q241 VanDerWaalsContact OD1-N 3.08Å; N238-L242 PolarHBondContact O-N 3.42Å | ||
| 239 | F | 95.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 1% | 0.013 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -45 | -47.3 | -179.4 | 179.9 | -92.5 | 0 | 0 | 0 | 113.2 | L198 L201 V202 I205 C223 L226 L230 Q241 L242 L243 | L198-F239 HydrophobicContact CD1-CB 4.21Å; L198-F239 HydrophobicContact CD1-CD2 4Å; L201-F239 HydrophobicContact CD2-CD2 4.22Å; L201-F239 HydrophobicContact CD2-CE2 4.09Å; L201-F239 HydrophobicContact CG-CE2 4.15Å; V202-F239 HydrophobicContact CG2-CD2 3.61Å; V202-F239 HydrophobicContact CG2-CE2 3.55Å; V202-F239 HydrophobicContact CG2-CG 4.39Å; V202-F239 HydrophobicContact CG2-CZ 4.29Å; I205-F239 HydrophobicContact CD1-CE2 4.04Å; I205-F239 HydrophobicContact CD1-CZ 3.9Å; C223-F239 HydrophobicContact CB-CE1 4.15Å; L226-F239 HydrophobicContact CB-CD1 4.17Å; L226-F239 HydrophobicContact CB-CE1 4.01Å; L226-F239 HydrophobicContact CB-CE2 4.43Å; L226-F239 HydrophobicContact CB-CG 4.48Å; L226-F239 HydrophobicContact CB-CZ 4.15Å; L226-F239 HydrophobicContact CD1-CE2 4.13Å; L226-F239 HydrophobicContact CD1-CZ 4Å; L230-F239 HydrophobicContact CD1-CB 4.04Å; L230-F239 HydrophobicContact CD1-CD2 3.75Å; L230-F239 HydrophobicContact CD1-CG 4.01Å; F239-Q241 PolarHBondContact O-N 3.2Å; F239-L242 PolarHBondContact O-N 3.42Å; F239-L243 HydrophobicContact CE1-CD2 4.31Å; F239-L243 WeakPolarHBondContact O-CB 3.3Å; F239-L243 PolarHBondContact O-N 3.06Å |
| 240 | R | 95.3 | Very high | 93.1 | Very high | 56 Ų | 56 | 58.7 Ų | 58.7 | 21% | 0.211 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 179.9 | -174.5 | -175.3 | 64.9 | -164.7 | -1.2 | 112.4 | N238 L243 L244 L282 | N238-R240 PolarHBondContact O-N 3.15Å; N238-R240 VanDerWaalsContact O-N 3.09Å; N238-R240 WeakPolarHBondContact OD1-CB 3.36Å; N238-R240 PolarHBondContact OD1-N 3.01Å; R240-L243 PolarHBondContact O-N 3.39Å; R240-L244 HydrophobicContact CG-CD1 4.31Å; R240-L244 VanDerWaalsContact O-CG 3.31Å; R240-L244 WeakPolarHBondContact O-CG 3.37Å; R240-L244 PolarHBondContact O-N 3.45Å; R240-L282 HydrophobicContact CG-CD1 4.42Å; R240-L282 HydrophobicContact CG-CD2 4.1Å |
| 241 | Q | 94.5 | Very high | 93.2 | Very high | 98 Ų | 98 | 60.4 Ų | 60.4 | 46% | 0.458 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 179.5 | -71.8 | 169.5 | -48 | 0 | 0 | 111.1 | N238 F239 L244 Q245 | N238-Q241 WeakPolarHBondContact O-CB 3.43Å; N238-Q241 PolarHBondContact O-N 2.93Å; N238-Q241 WeakPolarHBondContact OD1-CG 3.49Å; N238-Q241 PolarHBondContact OD1-N 3.47Å; N238-Q241 VanDerWaalsContact OD1-N 3.08Å; F239-Q241 PolarHBondContact O-N 3.2Å; Q241-L244 PolarHBondContact O-N 3.28Å; Q241-Q245 WeakPolarHBondContact O-CB 3.35Å; Q241-Q245 PolarHBondContact O-N 2.85Å |
| 242 | L | 96.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.9 | -40 | 177 | -63.1 | -179.5 | 0 | 0 | 0 | 111.9 | L198 V202 N238 F239 Q245 R246 | L198-L242 HydrophobicContact CB-CD1 4.34Å; L198-L242 HydrophobicContact CD2-CD1 3.61Å; L198-L242 HydrophobicContact CG-CD1 3.75Å; V202-L242 HydrophobicContact CG2-CB 4.08Å; N238-L242 PolarHBondContact O-N 3.42Å; F239-L242 PolarHBondContact O-N 3.42Å; L242-Q245 WeakPolarHBondContact O-CB 3.27Å; L242-Q245 PolarHBondContact O-N 3.32Å; L242-R246 WeakPolarHBondContact O-CB 3.11Å; L242-R246 PolarHBondContact O-N 3.43Å |
| 243 | L | 97.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.9 | -48.9 | 172.9 | 177.3 | 64.7 | 0 | 0 | 0 | 111.8 | V202 C223 F239 R240 Q245 R246 C247 F274 L278 | V202-L243 HydrophobicContact CG1-CB 4.33Å; V202-L243 HydrophobicContact CG1-CD1 4.36Å; C223-L243 HydrophobicContact CB-CD2 3.66Å; F239-L243 HydrophobicContact CE1-CD2 4.31Å; F239-L243 WeakPolarHBondContact O-CB 3.3Å; F239-L243 PolarHBondContact O-N 3.06Å; R240-L243 PolarHBondContact O-N 3.39Å; L243-Q245 VanDerWaalsContact C-N 3.3Å; L243-Q245 PolarHBondContact O-N 3.43Å; L243-R246 PolarHBondContact O-N 2.97Å; L243-R246 VanDerWaalsContact O-N 3.15Å; L243-C247 PolarHBondContact O-N 2.88Å; L243-C247 PolarHBondContact O-SG 2.95Å; L243-F274 HydrophobicContact CD1-CZ 4.45Å; L243-L278 HydrophobicContact CD2-CD1 3.84Å; L243-L278 HydrophobicContact CD2-CD2 3.97Å; L243-L278 HydrophobicContact CG-CD2 4.3Å |
| 244 | L | 95.9 | Very high | 94.4 | Very high | 39 Ų | 39 | 59.9 Ų | 59.9 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 178.3 | -70 | 173.5 | 0 | 0 | 0 | 112 | R240 Q241 R246 C247 R248 I296 L297 | R240-L244 HydrophobicContact CG-CD1 4.31Å; R240-L244 VanDerWaalsContact O-CG 3.31Å; R240-L244 WeakPolarHBondContact O-CG 3.37Å; R240-L244 PolarHBondContact O-N 3.45Å; Q241-L244 PolarHBondContact O-N 3.28Å; L244-R246 VanDerWaalsContact C-N 3.35Å; L244-C247 PolarHBondContact O-N 3.26Å; L244-R248 PolarHBondContact O-N 3.34Å; L244-I296 HydrophobicContact CD1-CG2 4.26Å; L244-I296 HydrophobicContact CD2-CG2 4.16Å; L244-L297 HydrophobicContact CD2-CD1 4.33Å; L244-L297 HydrophobicContact CD2-CD2 3.77Å; L244-L297 HydrophobicContact CD2-CG 4.05Å |
| 245 | Q | 96 | Very high | 94.9 | Very high | 114 Ų | 114 | 62.7 Ų | 62.7 | 53% | 0.533 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 172.7 | 178.2 | 176 | -21.9 | 0 | 0 | 111.4 | Q241 L242 L243 R248 T249 | Q241-Q245 WeakPolarHBondContact O-CB 3.35Å; Q241-Q245 PolarHBondContact O-N 2.85Å; L242-Q245 WeakPolarHBondContact O-CB 3.27Å; L242-Q245 PolarHBondContact O-N 3.32Å; L243-Q245 VanDerWaalsContact C-N 3.3Å; L243-Q245 PolarHBondContact O-N 3.43Å; Q245-R248 WeakPolarHBondContact O-CB 3.16Å; Q245-R248 PolarHBondContact O-N 2.76Å; Q245-T249 PolarHBondContact O-N 3.39Å; Q245-T249 PolarHBondContact O-OG1 2.86Å |
| 246 | R | 96.8 | Very high | 95.6 | Very high | 37 Ų | 37 | 58.1 Ų | 58.1 | 14% | 0.14 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 177.4 | -179.3 | 55.5 | -177.1 | 80 | 4.1 | 112.7 | V202 E203 Y206 L242 L243 L244 R248 T249 | V202-R246 HydrophobicContact CG1-CB 4.16Å; E203-R246 IonicContact OE1-CZ 2.88Å; E203-R246 IonicContact OE1-NE 3.09Å; E203-R246 PolarHBondContact OE1-NE 3.48Å; E203-R246 IonicContact OE1-NH2 2.78Å; E203-R246 PolarHBondContact OE1-NH2 3.3Å; E203-R246 VanDerWaalsContact OE2-CD 3.27Å; E203-R246 WeakPolarHBondContact OE2-CD 3.28Å; E203-R246 IonicContact OE2-CZ 3.78Å; E203-R246 IonicContact OE2-NE 3.02Å; E203-R246 PolarHBondContact OE2-NE 2.9Å; E203-R246 IonicContact OE2-NH2 3.63Å; Y206-R246 HydrophobicContact CD1-CG 4.33Å; Y206-R246 HydrophobicContact CD2-CG 3.83Å; Y206-R246 VanDerWaalsContact CE1-NH1 3.25Å; Y206-R246 HydrophobicContact CE2-CG 4.13Å; Y206-R246 HydrophobicContact CG-CG 3.9Å; Y206-R246 VanDerWaalsContact CZ-NH1 3.29Å; Y206-R246 PolarHBondContact OH-NH1 3.1Å; L242-R246 WeakPolarHBondContact O-CB 3.11Å; L242-R246 PolarHBondContact O-N 3.43Å; L243-R246 PolarHBondContact O-N 2.97Å; L243-R246 VanDerWaalsContact O-N 3.15Å; L244-R246 VanDerWaalsContact C-N 3.35Å; R246-R248 VanDerWaalsContact C-N 3.26Å; R246-R248 PolarHBondContact O-N 2.92Å; R246-T249 WeakPolarHBondContact O-CB 3.07Å; R246-T249 PolarHBondContact O-N 3.45Å |
| 247 | C | 97.4 | Very high | 96.2 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.034 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.3 | -34.8 | 173.3 | -68.3 | 0 | 0 | 0 | 0 | 111.9 | L243 L244 T249 E250 Y251 F271 L275 | L243-C247 PolarHBondContact O-N 2.88Å; L243-C247 PolarHBondContact O-SG 2.95Å; L244-C247 PolarHBondContact O-N 3.26Å; C247-T249 VanDerWaalsContact C-N 3.32Å; C247-T249 PolarHBondContact O-N 3.42Å; C247-E250 PolarHBondContact O-N 3.25Å; C247-Y251 WeakPolarHBondContact O-CB 3.22Å; C247-Y251 PolarHBondContact O-N 2.68Å; C247-F271 HydrophobicContact CB-CE2 4.31Å; C247-F271 WeakPolarHBondContact O-CZ 3.13Å; C247-L275 HydrophobicContact CB-CD1 4.08Å |
| 248 | R | 96.4 | Very high | 96.5 | Very high | 159 Ų | 159 | 55.5 Ų | 55.5 | 60% | 0.6 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.1 | -38.6 | 177.9 | -178.9 | 178.5 | 171.4 | 167.5 | 1.1 | 112.3 | L244 Q245 R246 E250 Y251 E252 | L244-R248 PolarHBondContact O-N 3.34Å; Q245-R248 WeakPolarHBondContact O-CB 3.16Å; Q245-R248 PolarHBondContact O-N 2.76Å; R246-R248 VanDerWaalsContact C-N 3.26Å; R246-R248 PolarHBondContact O-N 2.92Å; R248-E250 VanDerWaalsContact C-N 3.31Å; R248-E250 PolarHBondContact O-N 2.94Å; R248-Y251 WeakPolarHBondContact O-CB 3.27Å; R248-Y251 PolarHBondContact O-N 2.83Å; R248-E252 HydrophobicContact CG-CG 4.2Å; R248-E252 IonicContact CZ-OE1 2.67Å; R248-E252 IonicContact NE-OE1 2.92Å; R248-E252 PolarHBondContact NE-OE1 3.29Å; R248-E252 IonicContact NH2-OE1 2.79Å; R248-E252 PolarHBondContact NH2-OE1 3.46Å; R248-E252 WeakPolarHBondContact O-CG 3.33Å; R248-E252 PolarHBondContact O-N 2.94Å |
| 249 | T | 95.9 | Very high | 96.7 | Very high | 86 Ų | 86 | 58.9 Ų | 58.9 | 53% | 0.528 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.7 | -43.8 | 178.8 | -54.3 | 0 | 0 | 0 | 0 | 112.2 | Q245 R246 C247 | Q245-T249 PolarHBondContact O-N 3.39Å; Q245-T249 PolarHBondContact O-OG1 2.86Å; R246-T249 WeakPolarHBondContact O-CB 3.07Å; R246-T249 PolarHBondContact O-N 3.45Å; C247-T249 VanDerWaalsContact C-N 3.32Å; C247-T249 PolarHBondContact O-N 3.42Å |
| 250 | E | 94.9 | Very high | 96.7 | Very high | 41 Ų | 41 | 59.5 Ų | 59.5 | 19% | 0.192 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -79.7 | -32 | 178.8 | -166.6 | 159.1 | 179.9 | 0 | 0 | 112 | Y206 C247 R248 E252 V253 F271 | Y206-E250 WeakPolarHBondContact OH-CB 3.35Å; Y206-E250 PolarHBondContact OH-OE2 2.67Å; C247-E250 PolarHBondContact O-N 3.25Å; R248-E250 VanDerWaalsContact C-N 3.31Å; R248-E250 PolarHBondContact O-N 2.94Å; E250-E252 PolarHBondContact O-N 3.18Å; E250-V253 VanDerWaalsContact O-CG2 3.28Å; E250-V253 WeakPolarHBondContact O-CG2 3.47Å; E250-V253 PolarHBondContact O-N 2.99Å; E250-F271 HydrophobicContact CB-CD1 4.5Å; E250-F271 HydrophobicContact CB-CD2 4Å; E250-F271 HydrophobicContact CB-CE1 4.33Å; E250-F271 HydrophobicContact CB-CE2 3.79Å; E250-F271 HydrophobicContact CB-CG 4.33Å; E250-F271 HydrophobicContact CB-CZ 3.97Å; E250-F271 HydrophobicContact CG-CB 4.37Å; E250-F271 HydrophobicContact CG-CD1 3.99Å; E250-F271 HydrophobicContact CG-CD2 3.99Å; E250-F271 HydrophobicContact CG-CE1 4.25Å; E250-F271 HydrophobicContact CG-CE2 4.22Å; E250-F271 HydrophobicContact CG-CG 3.84Å; E250-F271 HydrophobicContact CG-CZ 4.36Å |
| 251 | Y | 97.6 | Very high | 96.9 | Very high | 56 Ų | 56 | 61.2 Ų | 61.2 | 22% | 0.22 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62 | -38.5 | 173.9 | 174.9 | -94.9 | 0 | 0 | 0 | 113.5 | C247 R248 V253 K254 E303 L304 | C247-Y251 WeakPolarHBondContact O-CB 3.22Å; C247-Y251 PolarHBondContact O-N 2.68Å; R248-Y251 WeakPolarHBondContact O-CB 3.27Å; R248-Y251 PolarHBondContact O-N 2.83Å; Y251-V253 PolarHBondContact O-N 2.99Å; Y251-V253 VanDerWaalsContact O-N 3.15Å; Y251-K254 HydrophobicContact CD2-CD 3.91Å; Y251-K254 HydrophobicContact CE1-CD 4.44Å; Y251-K254 HydrophobicContact CE2-CD 3.56Å; Y251-K254 HydrophobicContact CG-CD 4.47Å; Y251-K254 VanDerWaalsContact O-CB 3.26Å; Y251-K254 WeakPolarHBondContact O-CB 3.35Å; Y251-K254 WeakPolarHBondContact O-CD 3.38Å; Y251-K254 WeakPolarHBondContact O-CG 3.34Å; Y251-K254 PolarHBondContact O-N 3.11Å; Y251-E303 HydrophobicContact CE2-CB 4.05Å; Y251-E303 WeakPolarHBondContact OH-CB 3.19Å; Y251-E303 VanDerWaalsContact OH-CG 3.32Å; Y251-E303 WeakPolarHBondContact OH-CG 2.93Å; Y251-L304 HydrophobicContact CD2-CD1 4.45Å; Y251-L304 HydrophobicContact CD2-CD2 4.04Å; Y251-L304 HydrophobicContact CD2-CG 4.14Å; Y251-L304 HydrophobicContact CE2-CD2 4.41Å; Y251-L304 HydrophobicContact CE2-CG 4.22Å |
| 252 | E | 97.8 | Very high | 97 | Very high | 116 Ų | 116 | 61.7 Ų | 61.7 | 54% | 0.542 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -26 | -177.4 | -79.4 | 177.8 | 177.2 | 0 | 0 | 113 | R248 E250 | R248-E252 HydrophobicContact CG-CG 4.2Å; R248-E252 IonicContact CZ-OE1 2.67Å; R248-E252 IonicContact NE-OE1 2.92Å; R248-E252 PolarHBondContact NE-OE1 3.29Å; R248-E252 IonicContact NH2-OE1 2.79Å; R248-E252 PolarHBondContact NH2-OE1 3.46Å; R248-E252 WeakPolarHBondContact O-CG 3.33Å; R248-E252 PolarHBondContact O-N 2.94Å; E250-E252 PolarHBondContact O-N 3.18Å |
| 253 | V | 97.3 | Very high | 97 | Very high | 80 Ų | 80 | 65.5 Ų | 65.5 | 49% | 0.485 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 12.1 | 178.8 | -62.8 | 0 | 0 | 0 | 0 | 113.7 | E250 Y251 D255 Q256 A257 | E250-V253 VanDerWaalsContact O-CG2 3.28Å; E250-V253 WeakPolarHBondContact O-CG2 3.47Å; E250-V253 PolarHBondContact O-N 2.99Å; Y251-V253 PolarHBondContact O-N 2.99Å; Y251-V253 VanDerWaalsContact O-N 3.15Å; V253-D255 VanDerWaalsContact C-N 3.31Å; V253-D255 PolarHBondContact O-N 3.2Å; V253-D255 VanDerWaalsContact O-N 3.16Å; V253-Q256 WeakPolarHBondContact O-CA 3.42Å; V253-Q256 PolarHBondContact O-N 3.39Å; V253-A257 PolarHBondContact O-N 3.11Å |
| 254 | K | 98.1 | Very high | 97 | Very high | 24 Ų | 24 | 68 Ų | 68 | 10% | 0.104 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -50.5 | -42.7 | -175.1 | 69.5 | -164 | -173.9 | -47.9 | 0 | 114.7 | Y251 Q256 A257 A258 F268 E303 L304 A307 | Y251-K254 HydrophobicContact CD2-CD 3.91Å; Y251-K254 HydrophobicContact CE1-CD 4.44Å; Y251-K254 HydrophobicContact CE2-CD 3.56Å; Y251-K254 HydrophobicContact CG-CD 4.47Å; Y251-K254 VanDerWaalsContact O-CB 3.26Å; Y251-K254 WeakPolarHBondContact O-CB 3.35Å; Y251-K254 WeakPolarHBondContact O-CD 3.38Å; Y251-K254 WeakPolarHBondContact O-CG 3.34Å; Y251-K254 PolarHBondContact O-N 3.11Å; K254-Q256 VanDerWaalsContact C-N 3.3Å; K254-Q256 PolarHBondContact O-N 3.37Å; K254-A257 PolarHBondContact O-N 2.89Å; K254-A258 WeakPolarHBondContact O-CB 3.39Å; K254-A258 PolarHBondContact O-N 3.25Å; K254-F268 HydrophobicContact CB-CE2 3.76Å; K254-F268 HydrophobicContact CB-CZ 4.03Å; K254-E303 HydrophobicContact CD-CB 4.41Å; K254-L304 HydrophobicContact CB-CD2 3.75Å; K254-L304 HydrophobicContact CD-CD2 4.11Å; K254-A307 HydrophobicContact CG-CB 4.28Å |
| 255 | D | 97.5 | Very high | 97.1 | Very high | 79 Ų | 79 | 67.8 Ų | 67.8 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.4 | -30.3 | -177.5 | -61.8 | -69 | 0 | 0 | 0 | 111.7 | V253 K259 | V253-D255 VanDerWaalsContact C-N 3.31Å; V253-D255 PolarHBondContact O-N 3.2Å; V253-D255 VanDerWaalsContact O-N 3.16Å; D255-K259 WeakPolarHBondContact O-CE 3.24Å; D255-K259 WeakPolarHBondContact O-CG 3.46Å |
| 256 | Q | 97.7 | Very high | 97.1 | Very high | 113 Ų | 113 | 68 Ų | 68 | 53% | 0.528 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -79 | -37.7 | 174.1 | -173 | 56.3 | 55.8 | 0 | 0 | 111.6 | V253 K254 K259 G260 | V253-Q256 WeakPolarHBondContact O-CA 3.42Å; V253-Q256 PolarHBondContact O-N 3.39Å; K254-Q256 VanDerWaalsContact C-N 3.3Å; K254-Q256 PolarHBondContact O-N 3.37Å; Q256-K259 VanDerWaalsContact CD-CE 3.42Å; Q256-K259 WeakPolarHBondContact O-CG 3.46Å; Q256-K259 PolarHBondContact O-N 2.72Å; Q256-G260 PolarHBondContact O-N 2.93Å; Q256-G260 VanDerWaalsContact O-N 3.09Å |
| 257 | A | 97.5 | Very high | 97.1 | Very high | 10 Ų | 10 | 74.1 Ų | 74.1 | 8% | 0.083 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V253 K254 K259 G260 T264 R265 F268 | V253-A257 PolarHBondContact O-N 3.11Å; K254-A257 PolarHBondContact O-N 2.89Å; A257-K259 PolarHBondContact O-N 2.9Å; A257-G260 PolarHBondContact O-N 3.19Å; A257-T264 HydrophobicContact CB-CG2 4.2Å; A257-R265 WeakPolarHBondContact O-CG 3.48Å; A257-F268 HydrophobicContact CB-CB 3.92Å; A257-F268 HydrophobicContact CB-CD2 3.69Å; A257-F268 HydrophobicContact CB-CE2 4.35Å; A257-F268 HydrophobicContact CB-CG 3.78Å |
| 258 | A | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.9 | -27.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K254 R265 F268 A307 N311 M313 N316 | K254-A258 WeakPolarHBondContact O-CB 3.39Å; K254-A258 PolarHBondContact O-N 3.25Å; A258-R265 WeakPolarHBondContact O-CD 3.5Å; A258-F268 HydrophobicContact CB-CD1 4.25Å; A258-F268 HydrophobicContact CB-CE1 3.77Å; A258-F268 HydrophobicContact CB-CZ 4.41Å; A258-A307 HydrophobicContact CB-CB 4.38Å; A258-N311 HydrophobicContact CB-CB 4.42Å; A258-M313 WeakPolarHBondContact O-CE 3.13Å; A258-N316 PolarHBondContact O-ND2 3.32Å |
| 259 | K | 96.9 | Very high | 97.2 | Very high | 117 Ų | 117 | 67.4 Ų | 67.4 | 51% | 0.509 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 9.4 | 176 | 70.4 | -174 | 172.1 | 170.8 | 0 | 113.7 | D255 Q256 A257 | D255-K259 WeakPolarHBondContact O-CE 3.24Å; D255-K259 WeakPolarHBondContact O-CG 3.46Å; Q256-K259 VanDerWaalsContact CD-CE 3.42Å; Q256-K259 WeakPolarHBondContact O-CG 3.46Å; Q256-K259 PolarHBondContact O-N 2.72Å; A257-K259 PolarHBondContact O-N 2.9Å |
| 260 | G | 96.8 | Very high | 97.3 | Very high | 15 Ų | 15 | 64.5 Ų | 64.5 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -68 | -178.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q256 A257 R265 | Q256-G260 PolarHBondContact O-N 2.93Å; Q256-G260 VanDerWaalsContact O-N 3.09Å; A257-G260 PolarHBondContact O-N 3.19Å; G260-R265 PolarHBondContact O-NH1 2.6Å |
| 261 | D | 97.6 | Very high | 97.4 | Very high | 93 Ų | 93 | 62.6 Ų | 62.6 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | trans | -67.5 | 171.1 | 168.9 | 67.4 | -70.9 | 0 | 0 | 0 | 111.3 | V263 T264 R265 | D261-V263 PolarHBondContact O-N 2.63Å; D261-V263 WeakPolarHBondContact OD2-CB 3.5Å; D261-V263 PolarHBondContact OD2-N 3.05Å; D261-V263 VanDerWaalsContact OD2-N 3.13Å; D261-T264 PolarHBondContact O-N 3.48Å; D261-T264 WeakPolarHBondContact OD1-CB 3.42Å; D261-T264 PolarHBondContact OD1-OG1 3.38Å; D261-T264 VanDerWaalsContact OD1-OG1 3.06Å; D261-R265 WeakPolarHBondContact O-CG 3.5Å; D261-R265 PolarHBondContact O-N 3.36Å | ||
| 262 | E | 96.8 | Very high | 97.5 | Very high | 108 Ų | 108 | 59.9 Ų | 59.9 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.1 | -35.4 | -174.7 | -169 | -174.2 | 157.3 | 0 | 0 | 113.1 | R265 K266 | E262-R265 PolarHBondContact O-N 2.9Å; E262-K266 HydrophobicContact CG-CD 4.46Å; E262-K266 WeakPolarHBondContact O-CB 3.46Å; E262-K266 VanDerWaalsContact O-CG 3.31Å; E262-K266 WeakPolarHBondContact O-CG 3.31Å; E262-K266 PolarHBondContact O-N 3.27Å; E262-K266 WeakPolarHBondContact OE1-CE 3.49Å; E262-K266 IonicContact OE1-NZ 3.68Å; E262-K266 PolarHBondContact OE1-NZ 3.38Å |
| 263 | V | 96.6 | Very high | 97.5 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70.8 | -45.6 | -179.9 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | D261 R265 K266 R267 | D261-V263 PolarHBondContact O-N 2.63Å; D261-V263 WeakPolarHBondContact OD2-CB 3.5Å; D261-V263 PolarHBondContact OD2-N 3.05Å; D261-V263 VanDerWaalsContact OD2-N 3.13Å; V263-R265 VanDerWaalsContact C-N 3.32Å; V263-R265 PolarHBondContact O-N 2.97Å; V263-K266 PolarHBondContact O-N 3.16Å; V263-R267 PolarHBondContact O-N 3.3Å; V263-R267 VanDerWaalsContact O-N 3.16Å |
| 264 | T | 97.4 | Very high | 97.5 | Very high | 52 Ų | 52 | 52.4 Ų | 52.4 | 32% | 0.319 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 175 | -69.2 | 0 | 0 | 0 | 0 | 111.8 | A257 D261 R267 F268 | A257-T264 HydrophobicContact CB-CG2 4.2Å; D261-T264 PolarHBondContact O-N 3.48Å; D261-T264 WeakPolarHBondContact OD1-CB 3.42Å; D261-T264 PolarHBondContact OD1-OG1 3.38Å; D261-T264 VanDerWaalsContact OD1-OG1 3.06Å; T264-R267 PolarHBondContact O-N 2.85Å; T264-F268 WeakPolarHBondContact O-CB 3.34Å; T264-F268 PolarHBondContact O-N 2.84Å |
| 265 | R | 97.7 | Very high | 97.6 | Very high | 35 Ų | 35 | 51.6 Ų | 51.6 | 13% | 0.132 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 177 | -67.8 | -167.1 | -45 | -91.7 | 0.4 | 112.7 | A257 A258 G260 D261 E262 V263 R267 F268 H269 D315 | A257-R265 WeakPolarHBondContact O-CG 3.48Å; A258-R265 WeakPolarHBondContact O-CD 3.5Å; G260-R265 PolarHBondContact O-NH1 2.6Å; D261-R265 WeakPolarHBondContact O-CG 3.5Å; D261-R265 PolarHBondContact O-N 3.36Å; E262-R265 PolarHBondContact O-N 2.9Å; V263-R265 VanDerWaalsContact C-N 3.32Å; V263-R265 PolarHBondContact O-N 2.97Å; R265-R267 VanDerWaalsContact C-N 3.34Å; R265-R267 PolarHBondContact O-N 2.96Å; R265-F268 CarbonylContact O-C 3.28Å; R265-F268 WeakPolarHBondContact O-CB 3.39Å; R265-F268 PolarHBondContact O-N 3.24Å; R265-H269 PolarHBondContact O-CD2 2.96Å; R265-H269 PolarHBondContact O-N 2.97Å; R265-H269 PolarHBondContact O-ND1 3.43Å; R265-H269 PolarHBondContact O-NE2 3.39Å; R265-D315 IonicContact CZ-OD2 3.88Å; R265-D315 VanDerWaalsContact CZ-OD2 3.24Å; R265-D315 IonicContact NE-OD1 3.24Å; R265-D315 PolarHBondContact NE-OD1 3.14Å; R265-D315 IonicContact NE-OD2 2.63Å; R265-D315 PolarHBondContact NE-OD2 2.95Å; R265-D315 IonicContact NH2-OD1 3.9Å; R265-D315 IonicContact NH2-OD2 2.8Å; R265-D315 PolarHBondContact NH2-OD2 3.4Å |
| 266 | K | 96.8 | Very high | 97.6 | Very high | 119 Ų | 119 | 47.9 Ų | 47.9 | 52% | 0.517 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 175.3 | -78.3 | 175 | -177.5 | 169.2 | 0 | 112.2 | E262 V263 H269 A270 | E262-K266 HydrophobicContact CG-CD 4.46Å; E262-K266 WeakPolarHBondContact O-CB 3.46Å; E262-K266 VanDerWaalsContact O-CG 3.31Å; E262-K266 WeakPolarHBondContact O-CG 3.31Å; E262-K266 PolarHBondContact O-N 3.27Å; E262-K266 WeakPolarHBondContact OE1-CE 3.49Å; E262-K266 IonicContact OE1-NZ 3.68Å; E262-K266 PolarHBondContact OE1-NZ 3.38Å; V263-K266 PolarHBondContact O-N 3.16Å; K266-H269 PolarHBondContact O-N 3.01Å; K266-A270 PolarHBondContact O-N 3.48Å; K266-A270 VanDerWaalsContact O-N 3.09Å |
| 267 | R | 96.2 | Very high | 97.6 | Very high | 165 Ų | 165 | 44 Ų | 44 | 62% | 0.623 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -62.3 | -45.8 | 174.1 | -69.7 | 179.5 | 178.1 | 165.4 | -1 | 111.4 | V263 T264 R265 H269 A270 F271 | V263-R267 PolarHBondContact O-N 3.3Å; V263-R267 VanDerWaalsContact O-N 3.16Å; T264-R267 PolarHBondContact O-N 2.85Å; R265-R267 VanDerWaalsContact C-N 3.34Å; R265-R267 PolarHBondContact O-N 2.96Å; R267-H269 VanDerWaalsContact C-N 3.3Å; R267-H269 PolarHBondContact O-N 3.45Å; R267-A270 PolarHBondContact O-N 3.31Å; R267-F271 PolarHBondContact O-N 3.46Å |
| 268 | F | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.1 | -40.8 | 175.4 | -179 | -120.1 | 0 | 0 | 0 | 112.6 | K254 A257 A258 T264 R265 F271 V272 L304 L308 | K254-F268 HydrophobicContact CB-CE2 3.76Å; K254-F268 HydrophobicContact CB-CZ 4.03Å; A257-F268 HydrophobicContact CB-CB 3.92Å; A257-F268 HydrophobicContact CB-CD2 3.69Å; A257-F268 HydrophobicContact CB-CE2 4.35Å; A257-F268 HydrophobicContact CB-CG 3.78Å; A258-F268 HydrophobicContact CB-CD1 4.25Å; A258-F268 HydrophobicContact CB-CE1 3.77Å; A258-F268 HydrophobicContact CB-CZ 4.41Å; T264-F268 WeakPolarHBondContact O-CB 3.34Å; T264-F268 PolarHBondContact O-N 2.84Å; R265-F268 CarbonylContact O-C 3.28Å; R265-F268 WeakPolarHBondContact O-CB 3.39Å; R265-F268 PolarHBondContact O-N 3.24Å; F268-F271 HydrophobicContact CD2-CD1 4.17Å; F268-F271 HydrophobicContact CE2-CD1 4.29Å; F268-F271 WeakPolarHBondContact O-CB 3.49Å; F268-F271 PolarHBondContact O-N 3.42Å; F268-V272 HydrophobicContact CD1-CG2 4.36Å; F268-V272 HydrophobicContact CD2-CG2 4.16Å; F268-V272 HydrophobicContact CE1-CG2 4.01Å; F268-V272 HydrophobicContact CE2-CG2 3.79Å; F268-V272 HydrophobicContact CG-CG2 4.42Å; F268-V272 HydrophobicContact CZ-CG2 3.71Å; F268-V272 WeakPolarHBondContact O-CB 3.45Å; F268-V272 WeakPolarHBondContact O-CG2 3.06Å; F268-V272 PolarHBondContact O-N 3.07Å; F268-L304 HydrophobicContact CE2-CD2 3.64Å; F268-L304 HydrophobicContact CZ-CD2 3.76Å; F268-L308 HydrophobicContact CD1-CD2 4.15Å; F268-L308 HydrophobicContact CE1-CD2 3.61Å; F268-L308 HydrophobicContact CE1-CG 4.09Å |
| 269 | H | 98.1 | Very high | 97.6 | Very high | 23 Ų | 23 | 43.8 Ų | 43.8 | 11% | 0.106 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66 | -40.6 | 177.3 | -59.4 | 158.1 | 0 | 0 | 0 | 112.3 | R265 K266 R267 V272 L273 D315 N316 C319 | R265-H269 PolarHBondContact O-CD2 2.96Å; R265-H269 PolarHBondContact O-N 2.97Å; R265-H269 PolarHBondContact O-ND1 3.43Å; R265-H269 PolarHBondContact O-NE2 3.39Å; K266-H269 PolarHBondContact O-N 3.01Å; R267-H269 VanDerWaalsContact C-N 3.3Å; R267-H269 PolarHBondContact O-N 3.45Å; H269-V272 PolarHBondContact O-N 3.43Å; H269-L273 WeakPolarHBondContact O-CG 3.37Å; H269-L273 PolarHBondContact O-N 3.47Å; H269-D315 VanDerWaalsContact CE1-C 3.45Å; H269-D315 PolarHBondContact CE1-O 3.3Å; H269-D315 IonicContact CE1-OD2 3.27Å; H269-N316 PolarHBondContact NE2-OD1 3.41Å; H269-C319 HydrophobicContact CB-CB 4.08Å |
| 270 | A | 97.9 | Very high | 97.6 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -44.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T210 K266 R267 L273 F274 | T210-A270 WeakPolarHBondContact O-CB 3.16Å; K266-A270 PolarHBondContact O-N 3.48Å; K266-A270 VanDerWaalsContact O-N 3.09Å; R267-A270 PolarHBondContact O-N 3.31Å; A270-L273 PolarHBondContact O-N 3.34Å; A270-F274 WeakPolarHBondContact O-CB 3.34Å; A270-F274 PolarHBondContact O-N 3.09Å |
| 271 | F | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.4 | -48.2 | 172.6 | 167.5 | -107.4 | 0 | 0 | 0 | 112.8 | Y206 T210 C247 E250 R267 F268 L273 F274 L275 L304 | Y206-F271 HydrophobicContact CE2-CD2 4.39Å; Y206-F271 HydrophobicContact CE2-CE2 4.48Å; Y206-F271 WeakPolarHBondContact OH-CD2 3.4Å; Y206-F271 WeakPolarHBondContact OH-CE2 3.4Å; T210-F271 HydrophobicContact CG2-CB 4.49Å; C247-F271 HydrophobicContact CB-CE2 4.31Å; C247-F271 WeakPolarHBondContact O-CZ 3.13Å; E250-F271 HydrophobicContact CB-CD1 4.5Å; E250-F271 HydrophobicContact CB-CD2 4Å; E250-F271 HydrophobicContact CB-CE1 4.33Å; E250-F271 HydrophobicContact CB-CE2 3.79Å; E250-F271 HydrophobicContact CB-CG 4.33Å; E250-F271 HydrophobicContact CB-CZ 3.97Å; E250-F271 HydrophobicContact CG-CB 4.37Å; E250-F271 HydrophobicContact CG-CD1 3.99Å; E250-F271 HydrophobicContact CG-CD2 3.99Å; E250-F271 HydrophobicContact CG-CE1 4.25Å; E250-F271 HydrophobicContact CG-CE2 4.22Å; E250-F271 HydrophobicContact CG-CG 3.84Å; E250-F271 HydrophobicContact CG-CZ 4.36Å; R267-F271 PolarHBondContact O-N 3.46Å; F268-F271 HydrophobicContact CD2-CD1 4.17Å; F268-F271 HydrophobicContact CE2-CD1 4.29Å; F268-F271 WeakPolarHBondContact O-CB 3.49Å; F268-F271 PolarHBondContact O-N 3.42Å; F271-L273 PolarHBondContact O-N 3.02Å; F271-F274 PolarHBondContact O-N 3.39Å; F271-L275 HydrophobicContact CD2-CD1 3.69Å; F271-L275 HydrophobicContact CE1-CD2 3.96Å; F271-L275 HydrophobicContact CE2-CD1 3.23Å; F271-L275 HydrophobicContact CE2-CD2 3.94Å; F271-L275 HydrophobicContact CE2-CG 4.22Å; F271-L275 HydrophobicContact CZ-CD1 3.7Å; F271-L275 HydrophobicContact CZ-CD2 3.45Å; F271-L275 VanDerWaalsContact CZ-CD2 3.45Å; F271-L275 HydrophobicContact CZ-CG 4.22Å; F271-L275 PolarHBondContact O-N 2.89Å; F271-L304 HydrophobicContact CE1-CD1 4.32Å; F271-L304 HydrophobicContact CE1-CD2 4.1Å |
| 272 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.1 | -44.9 | 179.8 | 168.9 | 0 | 0 | 0 | 0 | 111.5 | F268 H269 L275 G276 L304 L308 L323 | F268-V272 HydrophobicContact CD1-CG2 4.36Å; F268-V272 HydrophobicContact CD2-CG2 4.16Å; F268-V272 HydrophobicContact CE1-CG2 4.01Å; F268-V272 HydrophobicContact CE2-CG2 3.79Å; F268-V272 HydrophobicContact CG-CG2 4.42Å; F268-V272 HydrophobicContact CZ-CG2 3.71Å; F268-V272 WeakPolarHBondContact O-CB 3.45Å; F268-V272 WeakPolarHBondContact O-CG2 3.06Å; F268-V272 PolarHBondContact O-N 3.07Å; H269-V272 PolarHBondContact O-N 3.43Å; V272-L275 PolarHBondContact O-N 3.29Å; V272-G276 PolarHBondContact O-N 2.94Å; V272-L304 HydrophobicContact CG2-CB 4.29Å; V272-L304 HydrophobicContact CG2-CD1 4.22Å; V272-L304 HydrophobicContact CG2-CD2 4.07Å; V272-L304 HydrophobicContact CG2-CG 4.42Å; V272-L308 HydrophobicContact CG1-CD1 4.19Å; V272-L323 HydrophobicContact CG1-CB 4.43Å; V272-L323 HydrophobicContact CG1-CD2 3.66Å; V272-L323 HydrophobicContact CG1-CG 4.42Å |
| 273 | L | 98.3 | Very high | 97.4 | Very high | 39 Ų | 39 | 35.3 Ų | 35.3 | 20% | 0.204 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.4 | -39.1 | 179.4 | -67.5 | 175 | 0 | 0 | 0 | 111.5 | H269 A270 F271 L275 G276 E277 K322 L323 | H269-L273 WeakPolarHBondContact O-CG 3.37Å; H269-L273 PolarHBondContact O-N 3.47Å; A270-L273 PolarHBondContact O-N 3.34Å; F271-L273 PolarHBondContact O-N 3.02Å; L273-L275 VanDerWaalsContact C-N 3.34Å; L273-L275 PolarHBondContact O-N 3.48Å; L273-G276 WeakPolarHBondContact O-CA 3.45Å; L273-G276 PolarHBondContact O-N 2.97Å; L273-G276 VanDerWaalsContact O-N 3.08Å; L273-E277 PolarHBondContact O-N 3.28Å; L273-K322 HydrophobicContact CD1-CD 4.26Å; L273-K322 HydrophobicContact CD2-CB 3.79Å; L273-L323 HydrophobicContact CD2-CB 4.34Å |
| 274 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.4 | -42.9 | 172.1 | 173.9 | -119.9 | 0 | 0 | 0 | 112.3 | Y206 A209 T210 A220 L243 A270 F271 G276 E277 L278 | Y206-F274 AromaticContact CD2-CE1 3.93Å; Y206-F274 HydrophobicContact CD2-CE1 3.93Å; Y206-F274 HydrophobicContact CE2-CD1 4.4Å; Y206-F274 HydrophobicContact CE2-CE1 4.16Å; A209-F274 HydrophobicContact CB-CD1 4.46Å; A209-F274 HydrophobicContact CB-CD2 3.51Å; A209-F274 HydrophobicContact CB-CE1 4.44Å; A209-F274 HydrophobicContact CB-CE2 3.48Å; A209-F274 VanDerWaalsContact CB-CE2 3.48Å; A209-F274 HydrophobicContact CB-CG 4.02Å; A209-F274 HydrophobicContact CB-CZ 3.97Å; T210-F274 HydrophobicContact CG2-CB 4.21Å; T210-F274 HydrophobicContact CG2-CD1 3.92Å; T210-F274 HydrophobicContact CG2-CG 4.27Å; A220-F274 HydrophobicContact CB-CE2 4.35Å; L243-F274 HydrophobicContact CD1-CZ 4.45Å; A270-F274 WeakPolarHBondContact O-CB 3.34Å; A270-F274 PolarHBondContact O-N 3.09Å; F271-F274 PolarHBondContact O-N 3.39Å; F274-G276 VanDerWaalsContact C-N 3.26Å; F274-G276 PolarHBondContact O-N 2.62Å; F274-E277 PolarHBondContact O-N 3.37Å; F274-L278 WeakPolarHBondContact O-CB 3.48Å; F274-L278 PolarHBondContact O-N 3.5Å |
| 275 | L | 98.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.3 | -32.8 | 173.6 | -101.8 | 62.5 | 0 | 0 | 0 | 112.9 | C247 F271 V272 L273 Y279 L297 L301 L304 | C247-L275 HydrophobicContact CB-CD1 4.08Å; F271-L275 HydrophobicContact CD2-CD1 3.69Å; F271-L275 HydrophobicContact CE1-CD2 3.96Å; F271-L275 HydrophobicContact CE2-CD1 3.23Å; F271-L275 HydrophobicContact CE2-CD2 3.94Å; F271-L275 HydrophobicContact CE2-CG 4.22Å; F271-L275 HydrophobicContact CZ-CD1 3.7Å; F271-L275 HydrophobicContact CZ-CD2 3.45Å; F271-L275 VanDerWaalsContact CZ-CD2 3.45Å; F271-L275 HydrophobicContact CZ-CG 4.22Å; F271-L275 PolarHBondContact O-N 2.89Å; V272-L275 PolarHBondContact O-N 3.29Å; L273-L275 VanDerWaalsContact C-N 3.34Å; L273-L275 PolarHBondContact O-N 3.48Å; L275-Y279 WeakPolarHBondContact O-CB 3.39Å; L275-Y279 PolarHBondContact O-N 3.39Å; L275-L297 HydrophobicContact CG-CD2 4.37Å; L275-L301 HydrophobicContact CB-CD2 4.06Å; L275-L304 HydrophobicContact CD2-CD1 3.67Å |
| 276 | G | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.2 | -49.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V272 L273 F274 L278 Y279 L280 | V272-G276 PolarHBondContact O-N 2.94Å; L273-G276 WeakPolarHBondContact O-CA 3.45Å; L273-G276 PolarHBondContact O-N 2.97Å; L273-G276 VanDerWaalsContact O-N 3.08Å; F274-G276 VanDerWaalsContact C-N 3.26Å; F274-G276 PolarHBondContact O-N 2.62Å; G276-L278 VanDerWaalsContact C-N 3.33Å; G276-L278 PolarHBondContact O-N 2.84Å; G276-Y279 PolarHBondContact O-N 2.89Å; G276-L280 PolarHBondContact O-N 3.49Å |
| 277 | E | 98.1 | Very high | 95.2 | Very high | 33 Ų | 33 | 38.3 Ų | 38.3 | 15% | 0.154 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62 | -42.1 | 175.3 | -65.3 | -67.9 | 174.8 | 0 | 0 | 111.3 | A220 L273 F274 Y279 L280 N281 L326 | A220-E277 HydrophobicContact CB-CB 3.6Å; L273-E277 PolarHBondContact O-N 3.28Å; F274-E277 PolarHBondContact O-N 3.37Å; E277-Y279 VanDerWaalsContact C-N 3.32Å; E277-Y279 PolarHBondContact O-N 3.45Å; E277-L280 PolarHBondContact O-N 3.02Å; E277-L280 VanDerWaalsContact O-N 3.17Å; E277-N281 WeakPolarHBondContact O-CB 3.32Å; E277-N281 PolarHBondContact O-N 3.36Å; E277-N281 PolarHBondContact O-OD1 3.28Å; E277-L326 HydrophobicContact CG-CD2 3.97Å |
| 278 | L | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.6 | -38.3 | 177.4 | -166.6 | 67.7 | 0 | 0 | 0 | 111.7 | A220 C223 L243 F274 G276 L280 L282 L297 | A220-L278 HydrophobicContact CB-CB 4.48Å; A220-L278 HydrophobicContact CB-CD1 4.43Å; C223-L278 HydrophobicContact CB-CD1 3.91Å; L243-L278 HydrophobicContact CD2-CD1 3.84Å; L243-L278 HydrophobicContact CD2-CD2 3.97Å; L243-L278 HydrophobicContact CG-CD2 4.3Å; F274-L278 WeakPolarHBondContact O-CB 3.48Å; F274-L278 PolarHBondContact O-N 3.5Å; G276-L278 VanDerWaalsContact C-N 3.33Å; G276-L278 PolarHBondContact O-N 2.84Å; L278-L280 VanDerWaalsContact C-N 3.31Å; L278-L280 PolarHBondContact O-N 3.3Å; L278-L282 HydrophobicContact CD1-CB 3.99Å; L278-L282 HydrophobicContact CD1-CD1 4.29Å; L278-L282 HydrophobicContact CD1-CD2 4.11Å; L278-L282 HydrophobicContact CD1-CG 4.37Å; L278-L282 HydrophobicContact CD2-CD2 4.39Å; L278-L282 HydrophobicContact CG-CB 4.13Å; L278-L282 HydrophobicContact CG-CD2 4.04Å; L278-L282 WeakPolarHBondContact O-CB 3.11Å; L278-L282 PolarHBondContact O-N 3.37Å; L278-L297 HydrophobicContact CB-CD1 4.21Å; L278-L297 HydrophobicContact CD2-CD1 4Å; L278-L297 HydrophobicContact CG-CD1 3.87Å |
| 279 | Y | 97.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 2% | 0.02 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -36.7 | 175 | 171.6 | -111.8 | 0 | 0 | 0 | 112.8 | L275 G276 E277 R293 L297 Q298 L301 T327 V330 L331 | L275-Y279 WeakPolarHBondContact O-CB 3.39Å; L275-Y279 PolarHBondContact O-N 3.39Å; G276-Y279 PolarHBondContact O-N 2.89Å; E277-Y279 VanDerWaalsContact C-N 3.32Å; E277-Y279 PolarHBondContact O-N 3.45Å; Y279-R293 HydrophobicContact CD2-CB 4.45Å; Y279-R293 HydrophobicContact CE2-CB 4.03Å; Y279-R293 WeakPolarHBondContact O-CD 3.41Å; Y279-L297 HydrophobicContact CD2-CB 4Å; Y279-L297 HydrophobicContact CG-CB 4.5Å; Y279-Q298 HydrophobicContact CE2-CB 3.86Å; Y279-Q298 HydrophobicContact CE2-CG 4.48Å; Y279-L301 HydrophobicContact CD1-CD1 3.73Å; Y279-L301 HydrophobicContact CG-CD1 3.74Å; Y279-T327 HydrophobicContact CD1-CG2 4.29Å; Y279-V330 HydrophobicContact CE1-CB 4.35Å; Y279-V330 HydrophobicContact CE1-CG1 3.82Å; Y279-L331 HydrophobicContact CD1-CD2 4.32Å; Y279-L331 HydrophobicContact CE1-CD2 3.64Å; Y279-L331 HydrophobicContact CE1-CG 4.03Å |
| 280 | L | 97.1 | Very high | 93.4 | Very high | 39 Ų | 39 | 43.4 Ų | 43.4 | 20% | 0.204 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74.9 | -39.6 | 179.6 | -66.7 | -178.1 | 0 | 0 | 0 | 112.5 | G276 E277 L278 L326 T327 V330 | G276-L280 PolarHBondContact O-N 3.49Å; E277-L280 PolarHBondContact O-N 3.02Å; E277-L280 VanDerWaalsContact O-N 3.17Å; L278-L280 VanDerWaalsContact C-N 3.31Å; L278-L280 PolarHBondContact O-N 3.3Å; L280-L326 HydrophobicContact CD1-CD1 3.58Å; L280-L326 HydrophobicContact CD1-CG 3.72Å; L280-T327 HydrophobicContact CD1-CG2 4.29Å; L280-T327 HydrophobicContact CD2-CG2 4.36Å; L280-T327 HydrophobicContact CG-CG2 4.13Å; L280-V330 HydrophobicContact CD2-CB 4.1Å; L280-V330 HydrophobicContact CD2-CG1 4.26Å; L280-V330 HydrophobicContact CD2-CG2 3.83Å |
| 281 | N | 96.8 | Very high | 93 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 19% | 0.187 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -99 | -24.1 | -167.7 | -65.2 | 18.6 | 0 | 0 | 0 | 113.6 | A220 N224 E277 E283 | A220-N281 HydrophobicContact CB-CB 4.25Å; N224-N281 VanDerWaalsContact CB-O 3.31Å; N224-N281 WeakPolarHBondContact CB-O 3.37Å; N224-N281 PolarHBondContact ND2-O 2.98Å; N224-N281 PolarHBondContact OD1-O 3.23Å; E277-N281 WeakPolarHBondContact O-CB 3.32Å; E277-N281 PolarHBondContact O-N 3.36Å; E277-N281 PolarHBondContact O-OD1 3.28Å; N281-E283 PolarHBondContact O-N 2.92Å |
| 282 | L | 95.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | trans | -81 | 112.7 | -174.8 | -169.2 | 67.5 | 0 | 0 | 0 | 111.7 | N224 R240 L278 L297 | N224-L282 HydrophobicContact CB-CD1 4.46Å; R240-L282 HydrophobicContact CG-CD1 4.42Å; R240-L282 HydrophobicContact CG-CD2 4.1Å; L278-L282 HydrophobicContact CD1-CB 3.99Å; L278-L282 HydrophobicContact CD1-CD1 4.29Å; L278-L282 HydrophobicContact CD1-CD2 4.11Å; L278-L282 HydrophobicContact CD1-CG 4.37Å; L278-L282 HydrophobicContact CD2-CD2 4.39Å; L278-L282 HydrophobicContact CG-CB 4.13Å; L278-L282 HydrophobicContact CG-CD2 4.04Å; L278-L282 WeakPolarHBondContact O-CB 3.11Å; L278-L282 PolarHBondContact O-N 3.37Å; L282-L297 HydrophobicContact CD2-CD1 4.34Å | ||
| 283 | E | 93.6 | Very high | 92.3 | Very high | 80 Ų | 80 | 55.1 Ų | 55.1 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 130.6 | -176.5 | -68.2 | -177.9 | 154.9 | 0 | 0 | 111.7 | N224 H228 N281 V291 | N224-E283 WeakPolarHBondContact OD1-CB 3.36Å; N224-E283 PolarHBondContact OD1-N 3.08Å; H228-E283 PolarHBondContact CE1-O 3.46Å; H228-E283 VanDerWaalsContact CE1-O 3.32Å; N281-E283 PolarHBondContact O-N 2.92Å; E283-V291 HydrophobicContact CB-CG1 3.68Å; E283-V291 HydrophobicContact CG-CG1 3.71Å |
| 284 | I | 91.1 | Very high | 91.9 | Very high | 39 Ų | 39 | 53.4 Ų | 53.4 | 20% | 0.2 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 103 | 174.9 | -57.9 | -170.2 | 0 | 0 | 0 | 108.1 | G286 T292 A294 | I284-G286 PolarHBondContact O-N 3Å; I284-T292 WeakPolarHBondContact CA-O 3.44Å; I284-T292 WeakPolarHBondContact CB-O 3.4Å; I284-T292 PolarHBondContact N-O 3.09Å; I284-T292 PolarHBondContact O-N 3.08Å; I284-T292 PolarHBondContact O-OG1 3.26Å; I284-A294 HydrophobicContact CD1-CB 3.81Å |
| 285 | K | 88.1 | Confident | 91.6 | Very high | 119 Ų | 119 | 57.4 Ų | 57.4 | 52% | 0.517 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 115.9 | 171.9 | -68.8 | 173.1 | -175.4 | 173.3 | 0 | 109.6 | V291 | K285-V291 HydrophobicContact CG-CG2 4.03Å |
| 286 | G | 81.1 | Confident | 91.3 | Very high | 33 Ų | 33 | 62.3 Ų | 62.3 | 34% | 0.34 | 34% | 0.341 | S | S | . | . | trans | -75.5 | 168.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I284 N288 G289 Q290 | I284-G286 PolarHBondContact O-N 3Å; G286-N288 PolarHBondContact O-N 3.32Å; G286-N288 VanDerWaalsContact O-N 3.15Å; G286-G289 PolarHBondContact O-N 3.4Å; G286-Q290 PolarHBondContact N-O 3.29Å | ||
| 287 | T | 81.5 | Confident | 91.2 | Very high | 161 Ų | 161 | 62.7 Ų | 62.7 | 99% | 0.988 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -19.2 | 178.6 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 288 | N | 84.6 | Confident | 91.1 | Very high | 119 Ų | 119 | 61.4 Ų | 61.4 | 64% | 0.636 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 8.6 | 175.9 | 63.6 | -9.6 | 0 | 0 | 0 | 113.3 | G286 Q290 | G286-N288 PolarHBondContact O-N 3.32Å; G286-N288 VanDerWaalsContact O-N 3.15Å; N288-Q290 VanDerWaalsContact ND2-CG 3.32Å; N288-Q290 WeakPolarHBondContact ND2-CG 3.5Å; N288-Q290 PolarHBondContact O-N 3.06Å; N288-Q290 VanDerWaalsContact OD1-CB 3.28Å; N288-Q290 WeakPolarHBondContact OD1-CB 3.32Å; N288-Q290 WeakPolarHBondContact OD1-CG 3.06Å; N288-Q290 PolarHBondContact OD1-N 3.13Å; N288-Q290 VanDerWaalsContact OD1-N 3.12Å |
| 289 | G | 82.7 | Confident | 91.1 | Very high | 57 Ų | 57 | 64.5 Ų | 64.5 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 76.1 | 0.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | G286 V291 | G286-G289 PolarHBondContact O-N 3.4Å; G289-V291 PolarHBondContact O-N 2.91Å |
| 290 | Q | 87.2 | Confident | 91 | Very high | 118 Ų | 118 | 64.6 Ų | 64.6 | 55% | 0.551 | 36% | 0.359 | S | S | * | . | trans | -69 | 130.1 | 175.1 | -70.6 | -70.4 | -38.4 | 0 | 0 | 110.2 | G286 N288 | G286-Q290 PolarHBondContact N-O 3.29Å; N288-Q290 VanDerWaalsContact ND2-CG 3.32Å; N288-Q290 WeakPolarHBondContact ND2-CG 3.5Å; N288-Q290 PolarHBondContact O-N 3.06Å; N288-Q290 VanDerWaalsContact OD1-CB 3.28Å; N288-Q290 WeakPolarHBondContact OD1-CB 3.32Å; N288-Q290 WeakPolarHBondContact OD1-CG 3.06Å; N288-Q290 PolarHBondContact OD1-N 3.13Å; N288-Q290 VanDerWaalsContact OD1-N 3.12Å | ||
| 291 | V | 89.1 | Confident | 91.1 | Very high | 71 Ų | 71 | 62.8 Ų | 62.8 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.5 | 173.3 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | E283 K285 G289 | E283-V291 HydrophobicContact CB-CG1 3.68Å; E283-V291 HydrophobicContact CG-CG1 3.71Å; K285-V291 HydrophobicContact CG-CG2 4.03Å; G289-V291 PolarHBondContact O-N 2.91Å |
| 292 | T | 91.1 | Very high | 91.1 | Very high | 74 Ų | 74 | 61.9 Ų | 61.9 | 45% | 0.454 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 156 | 178.8 | 57.4 | 0 | 0 | 0 | 0 | 110.4 | I284 | I284-T292 WeakPolarHBondContact CA-O 3.44Å; I284-T292 WeakPolarHBondContact CB-O 3.4Å; I284-T292 PolarHBondContact N-O 3.09Å; I284-T292 PolarHBondContact O-N 3.08Å; I284-T292 PolarHBondContact O-OG1 3.26Å |
| 293 | R | 91.2 | Very high | 91.3 | Very high | 128 Ų | 128 | 65.3 Ų | 65.3 | 48% | 0.483 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 157.5 | 172.6 | -68.7 | -176.9 | 177 | 86.8 | 5.7 | 110.9 | Y279 D295 | Y279-R293 HydrophobicContact CD2-CB 4.45Å; Y279-R293 HydrophobicContact CE2-CB 4.03Å; Y279-R293 WeakPolarHBondContact O-CD 3.41Å; R293-D295 PolarHBondContact O-N 2.79Å |
| 294 | A | 90.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 2% | 0.017 | 34% | 0.341 | C | S | . | . | trans | -67.3 | 104.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I284 I296 L297 Q298 | I284-A294 HydrophobicContact CD1-CB 3.81Å; A294-I296 HydrophobicContact CB-CG2 4.35Å; A294-I296 PolarHBondContact O-N 2.83Å; A294-L297 HydrophobicContact CB-CB 4.29Å; A294-L297 HydrophobicContact CB-CD1 3.88Å; A294-L297 HydrophobicContact CB-CG 3.85Å; A294-L297 WeakPolarHBondContact O-CB 3.37Å; A294-L297 PolarHBondContact O-N 3.49Å; A294-Q298 PolarHBondContact O-N 3.46Å | ||
| 295 | D | 91.4 | Very high | 91.9 | Very high | 85 Ų | 85 | 59.6 Ų | 59.6 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -55.5 | -35.7 | 178.8 | -174.6 | 67.8 | 0 | 0 | 0 | 112.6 | R293 L297 Q298 V299 K338 | R293-D295 PolarHBondContact O-N 2.79Å; D295-L297 VanDerWaalsContact C-N 3.25Å; D295-L297 PolarHBondContact O-N 3.18Å; D295-Q298 WeakPolarHBondContact O-CB 3.4Å; D295-Q298 PolarHBondContact O-N 3.13Å; D295-Q298 VanDerWaalsContact O-N 3.11Å; D295-V299 PolarHBondContact O-N 2.89Å; D295-V299 VanDerWaalsContact O-N 3.11Å; D295-K338 IonicContact OD1-NZ 2.79Å; D295-K338 PolarHBondContact OD1-NZ 3.07Å |
| 296 | I | 93.4 | Very high | 92.4 | Very high | 109 Ų | 109 | 54.8 Ų | 54.8 | 56% | 0.559 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.3 | -33.6 | 177.4 | -168.2 | 60.3 | 0 | 0 | 0 | 112.7 | L244 A294 G300 | L244-I296 HydrophobicContact CD1-CG2 4.26Å; L244-I296 HydrophobicContact CD2-CG2 4.16Å; A294-I296 HydrophobicContact CB-CG2 4.35Å; A294-I296 PolarHBondContact O-N 2.83Å; I296-G300 PolarHBondContact O-N 3.08Å |
| 297 | L | 95.9 | Very high | 93.2 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.7 | -37.9 | 176.3 | -63.7 | -177.8 | 0 | 0 | 0 | 110.7 | L244 L275 L278 Y279 L282 A294 D295 V299 G300 L301 | L244-L297 HydrophobicContact CD2-CD1 4.33Å; L244-L297 HydrophobicContact CD2-CD2 3.77Å; L244-L297 HydrophobicContact CD2-CG 4.05Å; L275-L297 HydrophobicContact CG-CD2 4.37Å; L278-L297 HydrophobicContact CB-CD1 4.21Å; L278-L297 HydrophobicContact CD2-CD1 4Å; L278-L297 HydrophobicContact CG-CD1 3.87Å; Y279-L297 HydrophobicContact CD2-CB 4Å; Y279-L297 HydrophobicContact CG-CB 4.5Å; L282-L297 HydrophobicContact CD2-CD1 4.34Å; A294-L297 HydrophobicContact CB-CB 4.29Å; A294-L297 HydrophobicContact CB-CD1 3.88Å; A294-L297 HydrophobicContact CB-CG 3.85Å; A294-L297 WeakPolarHBondContact O-CB 3.37Å; A294-L297 PolarHBondContact O-N 3.49Å; D295-L297 VanDerWaalsContact C-N 3.25Å; D295-L297 PolarHBondContact O-N 3.18Å; L297-V299 VanDerWaalsContact C-N 3.3Å; L297-V299 PolarHBondContact O-N 3.07Å; L297-G300 PolarHBondContact O-N 3.49Å; L297-L301 WeakPolarHBondContact O-CB 3.5Å; L297-L301 VanDerWaalsContact O-CG 3.31Å; L297-L301 WeakPolarHBondContact O-CG 3.42Å; L297-L301 PolarHBondContact O-N 3.21Å |
| 298 | Q | 95.9 | Very high | 94 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.028 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.3 | -45.4 | 173.8 | -172.8 | -176.4 | 12.8 | 0 | 0 | 111.3 | Y279 A294 D295 R302 L331 A334 W335 | Y279-Q298 HydrophobicContact CE2-CB 3.86Å; Y279-Q298 HydrophobicContact CE2-CG 4.48Å; A294-Q298 PolarHBondContact O-N 3.46Å; D295-Q298 WeakPolarHBondContact O-CB 3.4Å; D295-Q298 PolarHBondContact O-N 3.13Å; D295-Q298 VanDerWaalsContact O-N 3.11Å; Q298-R302 PolarHBondContact O-N 2.99Å; Q298-L331 HydrophobicContact CG-CD2 3.83Å; Q298-A334 VanDerWaalsContact NE2-CB 3.26Å; Q298-W335 VanDerWaalsContact NE2-NE1 3.16Å |
| 299 | V | 96.3 | Very high | 94.6 | Very high | 64 Ų | 64 | 40.3 Ų | 40.3 | 39% | 0.388 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.5 | -45.6 | 175.5 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | D295 L297 L301 R302 E303 | D295-V299 PolarHBondContact O-N 2.89Å; D295-V299 VanDerWaalsContact O-N 3.11Å; L297-V299 VanDerWaalsContact C-N 3.3Å; L297-V299 PolarHBondContact O-N 3.07Å; V299-L301 PolarHBondContact O-N 3.23Å; V299-R302 PolarHBondContact O-N 3.4Å; V299-E303 PolarHBondContact O-N 2.89Å |
| 300 | G | 97.4 | Very high | 95.3 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.3 | -45.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I296 L297 R302 E303 L304 | I296-G300 PolarHBondContact O-N 3.08Å; L297-G300 PolarHBondContact O-N 3.49Å; G300-R302 VanDerWaalsContact C-N 3.33Å; G300-R302 PolarHBondContact O-N 3.27Å; G300-E303 PolarHBondContact O-N 3.03Å; G300-E303 VanDerWaalsContact O-N 3.16Å; G300-L304 VanDerWaalsContact O-CG 3.26Å; G300-L304 WeakPolarHBondContact O-CG 3.38Å; G300-L304 PolarHBondContact O-N 3.18Å |
| 301 | L | 98.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.7 | -38.4 | 179.6 | -70.7 | -177.2 | 0 | 0 | 0 | 112.6 | L275 Y279 L297 V299 E303 L304 L305 L323 T327 L331 | L275-L301 HydrophobicContact CB-CD2 4.06Å; Y279-L301 HydrophobicContact CD1-CD1 3.73Å; Y279-L301 HydrophobicContact CG-CD1 3.74Å; L297-L301 WeakPolarHBondContact O-CB 3.5Å; L297-L301 VanDerWaalsContact O-CG 3.31Å; L297-L301 WeakPolarHBondContact O-CG 3.42Å; L297-L301 PolarHBondContact O-N 3.21Å; V299-L301 PolarHBondContact O-N 3.23Å; L301-E303 VanDerWaalsContact C-N 3.33Å; L301-E303 PolarHBondContact O-N 3.07Å; L301-L304 HydrophobicContact CD2-CD1 4.32Å; L301-L304 PolarHBondContact O-N 3.04Å; L301-L305 WeakPolarHBondContact O-CG 3.42Å; L301-L305 PolarHBondContact O-N 2.77Å; L301-L323 HydrophobicContact CD2-CD1 3.92Å; L301-L323 HydrophobicContact CD2-CD2 4.14Å; L301-T327 HydrophobicContact CD1-CG2 4.2Å; L301-L331 HydrophobicContact CB-CD1 4.49Å; L301-L331 HydrophobicContact CD1-CD1 4.37Å; L301-L331 HydrophobicContact CD1-CD2 4.3Å |
| 302 | R | 98.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 36 Ų | 36 | 6% | 0.06 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 174 | 175.5 | 61.8 | -156.2 | -98.8 | 5.8 | 111.4 | Q298 V299 G300 L305 N306 W335 D342 E345 | Q298-R302 PolarHBondContact O-N 2.99Å; V299-R302 PolarHBondContact O-N 3.4Å; G300-R302 VanDerWaalsContact C-N 3.33Å; G300-R302 PolarHBondContact O-N 3.27Å; R302-L305 PolarHBondContact O-N 3.22Å; R302-N306 PolarHBondContact NE-ND2 3.45Å; R302-N306 PolarHBondContact NE-OD1 2.99Å; R302-N306 PolarHBondContact NH2-OD1 3.45Å; R302-N306 VanDerWaalsContact O-CG 3.25Å; R302-N306 PolarHBondContact O-N 3.09Å; R302-N306 PolarHBondContact O-ND2 2.89Å; R302-W335 HydrophobicContact CB-CZ2 4.03Å; R302-D342 IonicContact CZ-OD1 3.86Å; R302-D342 PolarHBondContact NH1-O 3.21Å; R302-D342 IonicContact NH1-OD1 2.81Å; R302-D342 PolarHBondContact NH1-OD1 3.17Å; R302-E345 IonicContact CZ-OE2 3.46Å; R302-E345 VanDerWaalsContact CZ-OE2 3.24Å; R302-E345 IonicContact NH1-OE2 3.5Å; R302-E345 PolarHBondContact NH1-OE2 3.33Å; R302-E345 VanDerWaalsContact NH2-CB 3.35Å; R302-E345 IonicContact NH2-OE2 3.31Å; R302-E345 PolarHBondContact NH2-OE2 3.11Å |
| 303 | E | 98.3 | Very high | 96.4 | Very high | 72 Ų | 72 | 35.8 Ų | 35.8 | 34% | 0.336 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -71.1 | -33.2 | -177.6 | -68.5 | -58.3 | 109.1 | 0 | 0 | 112.6 | Y251 K254 V299 G300 L301 N306 A307 | Y251-E303 HydrophobicContact CE2-CB 4.05Å; Y251-E303 WeakPolarHBondContact OH-CB 3.19Å; Y251-E303 VanDerWaalsContact OH-CG 3.32Å; Y251-E303 WeakPolarHBondContact OH-CG 2.93Å; K254-E303 HydrophobicContact CD-CB 4.41Å; V299-E303 PolarHBondContact O-N 2.89Å; G300-E303 PolarHBondContact O-N 3.03Å; G300-E303 VanDerWaalsContact O-N 3.16Å; L301-E303 VanDerWaalsContact C-N 3.33Å; L301-E303 PolarHBondContact O-N 3.07Å; E303-N306 WeakPolarHBondContact O-CB 3.3Å; E303-N306 PolarHBondContact O-N 2.72Å; E303-N306 PolarHBondContact OE1-ND2 3.04Å; E303-A307 PolarHBondContact O-N 3.02Å |
| 304 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66 | -43.3 | 172.4 | -67.8 | 168.8 | 0 | 0 | 0 | 111.6 | Y251 K254 F268 F271 V272 L275 G300 L301 N306 A307 L308 | Y251-L304 HydrophobicContact CD2-CD1 4.45Å; Y251-L304 HydrophobicContact CD2-CD2 4.04Å; Y251-L304 HydrophobicContact CD2-CG 4.14Å; Y251-L304 HydrophobicContact CE2-CD2 4.41Å; Y251-L304 HydrophobicContact CE2-CG 4.22Å; K254-L304 HydrophobicContact CB-CD2 3.75Å; K254-L304 HydrophobicContact CD-CD2 4.11Å; F268-L304 HydrophobicContact CE2-CD2 3.64Å; F268-L304 HydrophobicContact CZ-CD2 3.76Å; F271-L304 HydrophobicContact CE1-CD1 4.32Å; F271-L304 HydrophobicContact CE1-CD2 4.1Å; V272-L304 HydrophobicContact CG2-CB 4.29Å; V272-L304 HydrophobicContact CG2-CD1 4.22Å; V272-L304 HydrophobicContact CG2-CD2 4.07Å; V272-L304 HydrophobicContact CG2-CG 4.42Å; L275-L304 HydrophobicContact CD2-CD1 3.67Å; G300-L304 VanDerWaalsContact O-CG 3.26Å; G300-L304 WeakPolarHBondContact O-CG 3.38Å; G300-L304 PolarHBondContact O-N 3.18Å; L301-L304 HydrophobicContact CD2-CD1 4.32Å; L301-L304 PolarHBondContact O-N 3.04Å; L304-N306 VanDerWaalsContact C-N 3.32Å; L304-N306 PolarHBondContact O-N 3.2Å; L304-A307 PolarHBondContact O-N 3.46Å; L304-L308 WeakPolarHBondContact O-CG 3.44Å; L304-L308 PolarHBondContact O-N 3.1Å |
| 305 | L | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.8 | -44.5 | 171.6 | -74.1 | 166.9 | 0 | 0 | 0 | 111.2 | L301 R302 A307 L308 F309 A320 L323 L324 I346 | L301-L305 WeakPolarHBondContact O-CG 3.42Å; L301-L305 PolarHBondContact O-N 2.77Å; R302-L305 PolarHBondContact O-N 3.22Å; L305-A307 VanDerWaalsContact C-N 3.33Å; L305-A307 PolarHBondContact O-N 2.88Å; L305-L308 PolarHBondContact O-N 3.49Å; L305-F309 HydrophobicContact CB-CD2 4.35Å; L305-F309 HydrophobicContact CB-CE2 4.1Å; L305-F309 HydrophobicContact CD2-CE2 4.02Å; L305-F309 HydrophobicContact CD2-CZ 4.4Å; L305-F309 WeakPolarHBondContact O-CD2 3.45Å; L305-F309 WeakPolarHBondContact O-CG 3.33Å; L305-F309 PolarHBondContact O-N 3.33Å; L305-A320 HydrophobicContact CD2-CB 4.1Å; L305-L323 HydrophobicContact CD1-CD2 4.45Å; L305-L323 HydrophobicContact CD2-CD2 3.78Å; L305-L323 HydrophobicContact CD2-CG 4.38Å; L305-L323 HydrophobicContact CG-CD2 3.8Å; L305-L324 HydrophobicContact CD1-CD2 3.81Å; L305-L324 HydrophobicContact CD1-CG 4.34Å; L305-L324 HydrophobicContact CD2-CD1 4.19Å; L305-L324 HydrophobicContact CD2-CD2 4.25Å; L305-L324 HydrophobicContact CD2-CG 3.85Å; L305-I346 HydrophobicContact CB-CD1 3.8Å; L305-I346 HydrophobicContact CD1-CD1 4.25Å; L305-I346 HydrophobicContact CD1-CG1 4.48Å |
| 306 | N | 98.3 | Very high | 97.4 | Very high | 18 Ų | 18 | 30 Ų | 30 | 10% | 0.096 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.6 | -42 | 176.2 | -70.9 | -25 | 0 | 0 | 0 | 111.8 | R302 E303 L304 S310 R349 | R302-N306 PolarHBondContact NE-ND2 3.45Å; R302-N306 PolarHBondContact NE-OD1 2.99Å; R302-N306 PolarHBondContact NH2-OD1 3.45Å; R302-N306 VanDerWaalsContact O-CG 3.25Å; R302-N306 PolarHBondContact O-N 3.09Å; R302-N306 PolarHBondContact O-ND2 2.89Å; E303-N306 WeakPolarHBondContact O-CB 3.3Å; E303-N306 PolarHBondContact O-N 2.72Å; E303-N306 PolarHBondContact OE1-ND2 3.04Å; L304-N306 VanDerWaalsContact C-N 3.32Å; L304-N306 PolarHBondContact O-N 3.2Å; N306-S310 VanDerWaalsContact O-CB 3.31Å; N306-S310 WeakPolarHBondContact O-CB 3.39Å; N306-S310 PolarHBondContact O-N 2.94Å; N306-S310 PolarHBondContact O-OG 3.39Å; N306-R349 PolarHBondContact O-NH1 3.09Å; N306-R349 PolarHBondContact OD1-NE 3.27Å |
| 307 | A | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.1 | -41.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K254 A258 E303 L304 L305 N311 | K254-A307 HydrophobicContact CG-CB 4.28Å; A258-A307 HydrophobicContact CB-CB 4.38Å; E303-A307 PolarHBondContact O-N 3.02Å; L304-A307 PolarHBondContact O-N 3.46Å; L305-A307 VanDerWaalsContact C-N 3.33Å; L305-A307 PolarHBondContact O-N 2.88Å; A307-N311 PolarHBondContact O-N 3.46Å; A307-N311 PolarHBondContact O-ND2 3.41Å |
| 308 | L | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.9 | -48.7 | 176.5 | -70 | 167.1 | 0 | 0 | 0 | 111.6 | F268 V272 L304 L305 S310 N311 N316 C319 A320 | F268-L308 HydrophobicContact CD1-CD2 4.15Å; F268-L308 HydrophobicContact CE1-CD2 3.61Å; F268-L308 HydrophobicContact CE1-CG 4.09Å; V272-L308 HydrophobicContact CG1-CD1 4.19Å; L304-L308 WeakPolarHBondContact O-CG 3.44Å; L304-L308 PolarHBondContact O-N 3.1Å; L305-L308 PolarHBondContact O-N 3.49Å; L308-S310 VanDerWaalsContact C-N 3.33Å; L308-S310 PolarHBondContact O-N 3.03Å; L308-N311 CarbonylContact O-C 3.44Å; L308-N311 VanDerWaalsContact O-C 3.28Å; L308-N311 PolarHBondContact O-N 2.95Å; L308-N311 VanDerWaalsContact O-N 3.15Å; L308-N311 VanDerWaalsContact O-O 3.1Å; L308-N316 HydrophobicContact CD2-CB 3.85Å; L308-C319 HydrophobicContact CD1-CB 4.47Å; L308-C319 HydrophobicContact CD2-CB 4.35Å; L308-A320 HydrophobicContact CB-CB 4.16Å; L308-A320 HydrophobicContact CD1-CB 3.95Å |
| 309 | F | 98 | Very high | 97.9 | Very high | 8 Ų | 8 | 27 Ų | 27 | 4% | 0.035 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.6 | -28.8 | -180 | -66.8 | -53.3 | 0 | 0 | 0 | 113.4 | L305 N311 L317 A320 L324 I346 R349 I350 V353 L367 | L305-F309 HydrophobicContact CB-CD2 4.35Å; L305-F309 HydrophobicContact CB-CE2 4.1Å; L305-F309 HydrophobicContact CD2-CE2 4.02Å; L305-F309 HydrophobicContact CD2-CZ 4.4Å; L305-F309 WeakPolarHBondContact O-CD2 3.45Å; L305-F309 WeakPolarHBondContact O-CG 3.33Å; L305-F309 PolarHBondContact O-N 3.33Å; F309-N311 PolarHBondContact O-N 3.17Å; F309-L317 HydrophobicContact CD1-CD2 3.83Å; F309-L317 HydrophobicContact CE1-CD2 4.22Å; F309-A320 HydrophobicContact CD1-CB 4.47Å; F309-A320 HydrophobicContact CE1-CB 3.74Å; F309-A320 HydrophobicContact CE2-CB 4.4Å; F309-A320 HydrophobicContact CZ-CB 3.7Å; F309-L324 HydrophobicContact CZ-CD1 4.05Å; F309-I346 HydrophobicContact CD2-CD1 4.43Å; F309-I346 HydrophobicContact CE2-CD1 4.31Å; F309-I346 HydrophobicContact CE2-CG2 4.01Å; F309-R349 HydrophobicContact CD2-CB 4.44Å; F309-I350 HydrophobicContact CD1-CG1 4.46Å; F309-I350 HydrophobicContact CE1-CD1 4.48Å; F309-I350 HydrophobicContact CE1-CG1 3.67Å; F309-I350 HydrophobicContact CE2-CG1 4.13Å; F309-I350 HydrophobicContact CZ-CD1 3.89Å; F309-I350 HydrophobicContact CZ-CG1 3.48Å; F309-I350 VanDerWaalsContact CZ-CG1 3.48Å; F309-V353 HydrophobicContact CB-CG2 4.48Å; F309-V353 HydrophobicContact CD1-CG2 4.43Å; F309-L367 HydrophobicContact CE1-CD2 4.17Å |
| 310 | S | 97.3 | Very high | 98.1 | Very high | 68 Ų | 68 | 23.9 Ų | 23.9 | 48% | 0.476 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -67.8 | -18.4 | 174 | -58.4 | 0 | 0 | 0 | 0 | 112.8 | N306 L308 P312 R349 | N306-S310 VanDerWaalsContact O-CB 3.31Å; N306-S310 WeakPolarHBondContact O-CB 3.39Å; N306-S310 PolarHBondContact O-N 2.94Å; N306-S310 PolarHBondContact O-OG 3.39Å; L308-S310 VanDerWaalsContact C-N 3.33Å; L308-S310 PolarHBondContact O-N 3.03Å; S310-P312 WeakPolarHBondContact O-CD 3.47Å; S310-R349 PolarHBondContact OG-NH1 3.01Å |
| 311 | N | 96.9 | Very high | 98.1 | Very high | 40 Ų | 40 | 23.8 Ų | 23.8 | 21% | 0.214 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -124.6 | 73.1 | 178.7 | -60.4 | -78.7 | 0 | 0 | 0 | 109.6 | A258 A307 L308 F309 M313 N316 | A258-N311 HydrophobicContact CB-CB 4.42Å; A307-N311 PolarHBondContact O-N 3.46Å; A307-N311 PolarHBondContact O-ND2 3.41Å; L308-N311 CarbonylContact O-C 3.44Å; L308-N311 VanDerWaalsContact O-C 3.28Å; L308-N311 PolarHBondContact O-N 2.95Å; L308-N311 VanDerWaalsContact O-N 3.15Å; L308-N311 VanDerWaalsContact O-O 3.1Å; F309-N311 PolarHBondContact O-N 3.17Å; N311-M313 PolarHBondContact O-N 3.3Å; N311-N316 WeakPolarHBondContact O-CB 3.18Å; N311-N316 PolarHBondContact O-ND2 2.85Å |
| 312 | P | 96.5 | Very high | 98.1 | Very high | 48 Ų | 48 | 29.4 Ų | 29.4 | 31% | 0.312 | 15% | 0.154 | S | C | . | . | trans | -78.6 | 59.5 | -163.7 | 34.4 | -39 | 0 | 0 | 0 | 113.7 | S310 L317 V353 A357 | S310-P312 WeakPolarHBondContact O-CD 3.47Å; P312-L317 HydrophobicContact CB-CD1 4.13Å; P312-L317 HydrophobicContact CB-CD2 4.15Å; P312-L317 HydrophobicContact CB-CG 4.39Å; P312-V353 HydrophobicContact CB-CG1 3.98Å; P312-V353 HydrophobicContact CB-CG2 4.24Å; P312-A357 HydrophobicContact CB-CB 3.78Å; P312-A357 HydrophobicContact CG-CB 3.79Å | ||
| 313 | M | 96.6 | Very high | 98.1 | Very high | 69 Ų | 69 | 28.6 Ų | 28.6 | 34% | 0.34 | 15% | 0.151 | S | C | . | . | trans | -83.4 | 151 | 167.1 | -68.2 | -176.6 | -73.2 | 0 | 0 | 110.3 | A258 N311 D315 N316 L317 | A258-M313 WeakPolarHBondContact O-CE 3.13Å; N311-M313 PolarHBondContact O-N 3.3Å; M313-D315 VanDerWaalsContact C-N 3.28Å; M313-D315 VanDerWaalsContact CB-OD1 3.27Å; M313-D315 WeakPolarHBondContact CB-OD1 3.32Å; M313-D315 PolarHBondContact O-N 3.41Å; M313-N316 PolarHBondContact O-N 2.77Å; M313-N316 VanDerWaalsContact O-N 3.14Å; M313-L317 VanDerWaalsContact O-CG 3.31Å; M313-L317 WeakPolarHBondContact O-CG 3.31Å; M313-L317 PolarHBondContact O-N 2.92Å | ||
| 314 | D | 98.2 | Very high | 98.2 | Very high | 53 Ų | 53 | 25.3 Ų | 25.3 | 28% | 0.283 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -52.9 | -44.1 | -174.8 | -73.1 | -6.1 | 0 | 0 | 0 | 112.9 | L317 I318 C359 S360 V363 | D314-L317 PolarHBondContact O-N 3.35Å; D314-I318 WeakPolarHBondContact O-CB 3.18Å; D314-I318 WeakPolarHBondContact O-CD1 3.26Å; D314-I318 WeakPolarHBondContact O-CG1 3.4Å; D314-I318 PolarHBondContact O-N 2.83Å; D314-C359 WeakPolarHBondContact OD1-CA 3.48Å; D314-C359 WeakPolarHBondContact OD1-CB 3.37Å; D314-S360 PolarHBondContact OD1-N 2.89Å; D314-S360 WeakPolarHBondContact OD2-CB 3.35Å; D314-S360 PolarHBondContact OD2-OG 3.44Å; D314-V363 HydrophobicContact CB-CG2 3.93Å |
| 315 | D | 98.1 | Very high | 98.1 | Very high | 41 Ų | 41 | 31.7 Ų | 31.7 | 22% | 0.219 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.4 | -43.3 | 179.7 | 59.6 | -11.7 | 0 | 0 | 0 | 112.8 | R265 H269 M313 I318 C319 | R265-D315 IonicContact CZ-OD2 3.88Å; R265-D315 VanDerWaalsContact CZ-OD2 3.24Å; R265-D315 IonicContact NE-OD1 3.24Å; R265-D315 PolarHBondContact NE-OD1 3.14Å; R265-D315 IonicContact NE-OD2 2.63Å; R265-D315 PolarHBondContact NE-OD2 2.95Å; R265-D315 IonicContact NH2-OD1 3.9Å; R265-D315 IonicContact NH2-OD2 2.8Å; R265-D315 PolarHBondContact NH2-OD2 3.4Å; H269-D315 VanDerWaalsContact CE1-C 3.45Å; H269-D315 PolarHBondContact CE1-O 3.3Å; H269-D315 IonicContact CE1-OD2 3.27Å; M313-D315 VanDerWaalsContact C-N 3.28Å; M313-D315 VanDerWaalsContact CB-OD1 3.27Å; M313-D315 WeakPolarHBondContact CB-OD1 3.32Å; M313-D315 PolarHBondContact O-N 3.41Å; D315-I318 PolarHBondContact O-N 3.25Å; D315-C319 WeakPolarHBondContact O-CB 3.41Å; D315-C319 PolarHBondContact O-N 3.15Å |
| 316 | N | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 172.5 | -77 | -14.2 | 0 | 0 | 0 | 111.9 | A258 H269 L308 N311 M313 C319 A320 | A258-N316 PolarHBondContact O-ND2 3.32Å; H269-N316 PolarHBondContact NE2-OD1 3.41Å; L308-N316 HydrophobicContact CD2-CB 3.85Å; N311-N316 WeakPolarHBondContact O-CB 3.18Å; N311-N316 PolarHBondContact O-ND2 2.85Å; M313-N316 PolarHBondContact O-N 2.77Å; M313-N316 VanDerWaalsContact O-N 3.14Å; N316-C319 WeakPolarHBondContact O-CB 3.21Å; N316-C319 PolarHBondContact O-N 3.34Å; N316-A320 PolarHBondContact O-N 3.46Å |
| 317 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.9 | -39.4 | -179.6 | -65.1 | 176.5 | 0 | 0 | 0 | 111.4 | F309 P312 M313 D314 C319 A320 V321 V353 C359 V363 L367 | F309-L317 HydrophobicContact CD1-CD2 3.83Å; F309-L317 HydrophobicContact CE1-CD2 4.22Å; P312-L317 HydrophobicContact CB-CD1 4.13Å; P312-L317 HydrophobicContact CB-CD2 4.15Å; P312-L317 HydrophobicContact CB-CG 4.39Å; M313-L317 VanDerWaalsContact O-CG 3.31Å; M313-L317 WeakPolarHBondContact O-CG 3.31Å; M313-L317 PolarHBondContact O-N 2.92Å; D314-L317 PolarHBondContact O-N 3.35Å; L317-C319 VanDerWaalsContact C-N 3.32Å; L317-C319 PolarHBondContact O-N 3.4Å; L317-A320 PolarHBondContact O-N 3.35Å; L317-V321 WeakPolarHBondContact O-CG2 3.34Å; L317-V321 PolarHBondContact O-N 2.67Å; L317-V353 HydrophobicContact CD1-CG1 3.82Å; L317-V353 HydrophobicContact CD2-CG1 3.84Å; L317-C359 HydrophobicContact CD1-CB 3.64Å; L317-V363 HydrophobicContact CB-CG1 3.5Å; L317-V363 VanDerWaalsContact CB-CG1 3.5Å; L317-V363 HydrophobicContact CD1-CG1 3.72Å; L317-V363 HydrophobicContact CG-CG1 4.27Å; L317-L367 HydrophobicContact CD1-CD1 4.24Å; L317-L367 HydrophobicContact CD2-CD1 4.4Å |
| 318 | I | 98.6 | Very high | 98 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 28% | 0.282 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 172.5 | -70.7 | 163.3 | 0 | 0 | 0 | 110.6 | D314 D315 V321 K322 V363 M366 | D314-I318 WeakPolarHBondContact O-CB 3.18Å; D314-I318 WeakPolarHBondContact O-CD1 3.26Å; D314-I318 WeakPolarHBondContact O-CG1 3.4Å; D314-I318 PolarHBondContact O-N 2.83Å; D315-I318 PolarHBondContact O-N 3.25Å; I318-V321 PolarHBondContact O-N 3.48Å; I318-K322 HydrophobicContact CG2-CD 4.35Å; I318-K322 WeakPolarHBondContact O-CG 3.39Å; I318-K322 PolarHBondContact O-N 2.99Å; I318-V363 HydrophobicContact CD1-CG2 4.19Å; I318-V363 HydrophobicContact CG1-CG2 4.19Å; I318-M366 HydrophobicContact CG1-SD 4.34Å |
| 319 | C | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.027 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.6 | -48 | 174.3 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | H269 L308 D315 N316 L317 V321 K322 L323 | H269-C319 HydrophobicContact CB-CB 4.08Å; L308-C319 HydrophobicContact CD1-CB 4.47Å; L308-C319 HydrophobicContact CD2-CB 4.35Å; D315-C319 WeakPolarHBondContact O-CB 3.41Å; D315-C319 PolarHBondContact O-N 3.15Å; N316-C319 WeakPolarHBondContact O-CB 3.21Å; N316-C319 PolarHBondContact O-N 3.34Å; L317-C319 VanDerWaalsContact C-N 3.32Å; L317-C319 PolarHBondContact O-N 3.4Å; C319-V321 VanDerWaalsContact C-N 3.29Å; C319-V321 PolarHBondContact O-N 3.16Å; C319-K322 PolarHBondContact O-N 2.78Å; C319-L323 PolarHBondContact O-N 2.88Å |
| 320 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.6 | -39.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L305 L308 F309 N316 L317 L323 L324 | L305-A320 HydrophobicContact CD2-CB 4.1Å; L308-A320 HydrophobicContact CB-CB 4.16Å; L308-A320 HydrophobicContact CD1-CB 3.95Å; F309-A320 HydrophobicContact CD1-CB 4.47Å; F309-A320 HydrophobicContact CE1-CB 3.74Å; F309-A320 HydrophobicContact CE2-CB 4.4Å; F309-A320 HydrophobicContact CZ-CB 3.7Å; N316-A320 PolarHBondContact O-N 3.46Å; L317-A320 PolarHBondContact O-N 3.35Å; A320-L323 PolarHBondContact O-N 3.36Å; A320-L324 WeakPolarHBondContact O-CB 3.45Å; A320-L324 WeakPolarHBondContact O-CG 3.32Å; A320-L324 PolarHBondContact O-N 3.33Å |
| 321 | V | 98.7 | Very high | 97.9 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.03 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 175.4 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | L317 I318 C319 L324 K325 M366 L367 L370 | L317-V321 WeakPolarHBondContact O-CG2 3.34Å; L317-V321 PolarHBondContact O-N 2.67Å; I318-V321 PolarHBondContact O-N 3.48Å; C319-V321 VanDerWaalsContact C-N 3.29Å; C319-V321 PolarHBondContact O-N 3.16Å; V321-L324 PolarHBondContact O-N 2.81Å; V321-K325 HydrophobicContact CG1-CD 4.33Å; V321-K325 WeakPolarHBondContact O-CG 3.38Å; V321-K325 PolarHBondContact O-N 2.82Å; V321-M366 HydrophobicContact CG1-CB 4.43Å; V321-M366 HydrophobicContact CG2-CB 4.21Å; V321-L367 HydrophobicContact CG2-CD2 3.79Å; V321-L367 HydrophobicContact CG2-CG 4.46Å; V321-L370 HydrophobicContact CB-CD1 3.9Å; V321-L370 HydrophobicContact CG1-CD1 3.98Å; V321-L370 HydrophobicContact CG1-CD2 4.16Å; V321-L370 HydrophobicContact CG1-CG 4.17Å; V321-L370 HydrophobicContact CG2-CD1 3.57Å; V321-L370 HydrophobicContact CG2-CG 4.44Å |
| 322 | K | 98.4 | Very high | 97.9 | Very high | 119 Ų | 119 | 30.6 Ų | 30.6 | 52% | 0.517 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 177.3 | -72.9 | 176.5 | 178.7 | -175.1 | 0 | 111.1 | L273 I318 C319 L324 K325 L326 | L273-K322 HydrophobicContact CD1-CD 4.26Å; L273-K322 HydrophobicContact CD2-CB 3.79Å; I318-K322 HydrophobicContact CG2-CD 4.35Å; I318-K322 WeakPolarHBondContact O-CG 3.39Å; I318-K322 PolarHBondContact O-N 2.99Å; C319-K322 PolarHBondContact O-N 2.78Å; K322-L324 PolarHBondContact O-N 2.79Å; K322-K325 PolarHBondContact O-N 2.98Å; K322-L326 WeakPolarHBondContact O-CB 3.38Å; K322-L326 PolarHBondContact O-N 3.25Å |
| 323 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 178.6 | 177.2 | 62.8 | 0 | 0 | 0 | 112 | V272 L273 L301 L305 C319 A320 L326 T327 | V272-L323 HydrophobicContact CG1-CB 4.43Å; V272-L323 HydrophobicContact CG1-CD2 3.66Å; V272-L323 HydrophobicContact CG1-CG 4.42Å; L273-L323 HydrophobicContact CD2-CB 4.34Å; L301-L323 HydrophobicContact CD2-CD1 3.92Å; L301-L323 HydrophobicContact CD2-CD2 4.14Å; L305-L323 HydrophobicContact CD1-CD2 4.45Å; L305-L323 HydrophobicContact CD2-CD2 3.78Å; L305-L323 HydrophobicContact CD2-CG 4.38Å; L305-L323 HydrophobicContact CG-CD2 3.8Å; C319-L323 PolarHBondContact O-N 2.88Å; A320-L323 PolarHBondContact O-N 3.36Å; L323-L326 PolarHBondContact O-N 3.04Å; L323-T327 HydrophobicContact CD1-CG2 3.96Å; L323-T327 PolarHBondContact O-N 2.72Å; L323-T327 PolarHBondContact O-OG1 2.86Å |
| 324 | L | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.2 | -33.8 | 178.6 | -76.8 | 170.2 | 0 | 0 | 0 | 112.8 | L305 F309 A320 V321 K322 L326 G328 M343 I346 I350 L370 W378 | L305-L324 HydrophobicContact CD1-CD2 3.81Å; L305-L324 HydrophobicContact CD1-CG 4.34Å; L305-L324 HydrophobicContact CD2-CD1 4.19Å; L305-L324 HydrophobicContact CD2-CD2 4.25Å; L305-L324 HydrophobicContact CD2-CG 3.85Å; F309-L324 HydrophobicContact CZ-CD1 4.05Å; A320-L324 WeakPolarHBondContact O-CB 3.45Å; A320-L324 WeakPolarHBondContact O-CG 3.32Å; A320-L324 PolarHBondContact O-N 3.33Å; V321-L324 PolarHBondContact O-N 2.81Å; K322-L324 PolarHBondContact O-N 2.79Å; L324-L326 VanDerWaalsContact C-N 3.31Å; L324-G328 WeakPolarHBondContact O-CA 3.38Å; L324-G328 PolarHBondContact O-N 3.17Å; L324-M343 HydrophobicContact CD2-SD 4.48Å; L324-I346 HydrophobicContact CD1-CG2 4.1Å; L324-I346 HydrophobicContact CD2-CG2 4.28Å; L324-I350 HydrophobicContact CD1-CD1 3.77Å; L324-L370 HydrophobicContact CB-CD1 4.46Å; L324-L370 HydrophobicContact CB-CD2 4.43Å; L324-L370 HydrophobicContact CD1-CD1 4.12Å; L324-W378 HydrophobicContact CB-CH2 4.5Å; L324-W378 WeakPolarHBondContact O-CZ3 3.41Å |
| 325 | K | 97.8 | Very high | 97.8 | Very high | 135 Ų | 135 | 26.7 Ų | 26.7 | 59% | 0.587 | 14% | 0.135 | S | C | * | . | H | α-helix | trans | -64 | -40.4 | 171.5 | -76.4 | -178.2 | 174.3 | -173.1 | 0 | 111.9 | V321 K322 L370 L373 | V321-K325 HydrophobicContact CG1-CD 4.33Å; V321-K325 WeakPolarHBondContact O-CG 3.38Å; V321-K325 PolarHBondContact O-N 2.82Å; K322-K325 PolarHBondContact O-N 2.98Å; K325-L370 HydrophobicContact CG-CD2 3.79Å; K325-L373 HydrophobicContact CG-CD2 4.46Å |
| 326 | L | 97.5 | Very high | 97.7 | Very high | 52 Ų | 52 | 29.9 Ų | 29.9 | 27% | 0.272 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -69.1 | -50.3 | 179.5 | -179.9 | 63.1 | 0 | 0 | 0 | 111.7 | E277 L280 K322 L323 L324 | E277-L326 HydrophobicContact CG-CD2 3.97Å; L280-L326 HydrophobicContact CD1-CD1 3.58Å; L280-L326 HydrophobicContact CD1-CG 3.72Å; K322-L326 WeakPolarHBondContact O-CB 3.38Å; K322-L326 PolarHBondContact O-N 3.25Å; L323-L326 PolarHBondContact O-N 3.04Å; L324-L326 VanDerWaalsContact C-N 3.31Å |
| 327 | T | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -113.8 | -12.8 | -165.8 | 62.2 | 0 | 0 | 0 | 0 | 114.7 | Y279 L280 L301 L323 S329 V330 L331 | Y279-T327 HydrophobicContact CD1-CG2 4.29Å; L280-T327 HydrophobicContact CD1-CG2 4.29Å; L280-T327 HydrophobicContact CD2-CG2 4.36Å; L280-T327 HydrophobicContact CG-CG2 4.13Å; L301-T327 HydrophobicContact CD1-CG2 4.2Å; L323-T327 HydrophobicContact CD1-CG2 3.96Å; L323-T327 PolarHBondContact O-N 2.72Å; L323-T327 PolarHBondContact O-OG1 2.86Å; T327-S329 PolarHBondContact O-N 2.87Å; T327-V330 PolarHBondContact O-N 3.4Å; T327-V330 VanDerWaalsContact O-N 3.13Å; T327-L331 WeakPolarHBondContact O-CG 3.48Å; T327-L331 PolarHBondContact O-N 2.97Å; T327-L331 WeakPolarHBondContact OG1-CD1 3.41Å |
| 328 | G | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.4 | -42.4 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L324 V330 L331 E332 M343 | L324-G328 WeakPolarHBondContact O-CA 3.38Å; L324-G328 PolarHBondContact O-N 3.17Å; G328-V330 PolarHBondContact O-N 2.92Å; G328-L331 PolarHBondContact O-N 2.88Å; G328-E332 WeakPolarHBondContact O-CB 3.45Å; G328-E332 PolarHBondContact O-N 2.88Å; G328-M343 WeakPolarHBondContact O-CE 3.38Å |
| 329 | S | 96.9 | Very high | 97.1 | Very high | 25 Ų | 25 | 43.3 Ų | 43.3 | 18% | 0.175 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.4 | -39.6 | 179.5 | 77.1 | 0 | 0 | 0 | 0 | 112.7 | T327 D333 W378 R380 | T327-S329 PolarHBondContact O-N 2.87Å; S329-D333 VanDerWaalsContact O-CG 3.29Å; S329-D333 PolarHBondContact O-N 3.48Å; S329-W378 VanDerWaalsContact CB-CG 3.43Å; S329-R380 VanDerWaalsContact C-NH2 3.26Å; S329-R380 PolarHBondContact O-NH2 3.3Å; S329-R380 PolarHBondContact OG-NH2 2.95Å |
| 330 | V | 96.9 | Very high | 96.9 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 16% | 0.164 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.4 | -40.7 | 178.2 | -179.2 | 0 | 0 | 0 | 0 | 111 | Y279 L280 T327 G328 A334 | Y279-V330 HydrophobicContact CE1-CB 4.35Å; Y279-V330 HydrophobicContact CE1-CG1 3.82Å; L280-V330 HydrophobicContact CD2-CB 4.1Å; L280-V330 HydrophobicContact CD2-CG1 4.26Å; L280-V330 HydrophobicContact CD2-CG2 3.83Å; T327-V330 PolarHBondContact O-N 3.4Å; T327-V330 VanDerWaalsContact O-N 3.13Å; G328-V330 PolarHBondContact O-N 2.92Å; V330-A334 WeakPolarHBondContact O-CB 3.34Å; V330-A334 PolarHBondContact O-N 3.35Å; V330-A334 VanDerWaalsContact O-N 3.08Å |
| 331 | L | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 174.8 | -72.8 | 173.8 | 0 | 0 | 0 | 111.6 | Y279 Q298 L301 T327 G328 A334 W335 M343 | Y279-L331 HydrophobicContact CD1-CD2 4.32Å; Y279-L331 HydrophobicContact CE1-CD2 3.64Å; Y279-L331 HydrophobicContact CE1-CG 4.03Å; Q298-L331 HydrophobicContact CG-CD2 3.83Å; L301-L331 HydrophobicContact CB-CD1 4.49Å; L301-L331 HydrophobicContact CD1-CD1 4.37Å; L301-L331 HydrophobicContact CD1-CD2 4.3Å; T327-L331 WeakPolarHBondContact O-CG 3.48Å; T327-L331 PolarHBondContact O-N 2.97Å; T327-L331 WeakPolarHBondContact OG1-CD1 3.41Å; G328-L331 PolarHBondContact O-N 2.88Å; L331-A334 PolarHBondContact O-N 3.33Å; L331-W335 HydrophobicContact CB-CD2 4.35Å; L331-W335 HydrophobicContact CB-CE3 4.04Å; L331-W335 HydrophobicContact CB-CH2 3.92Å; L331-W335 HydrophobicContact CB-CZ2 4.19Å; L331-W335 HydrophobicContact CB-CZ3 3.85Å; L331-W335 HydrophobicContact CD1-CH2 4.01Å; L331-W335 HydrophobicContact CD1-CZ2 4.38Å; L331-W335 HydrophobicContact CD2-CH2 4.44Å; L331-W335 HydrophobicContact CD2-CZ2 4.04Å; L331-W335 HydrophobicContact CG-CH2 4.36Å; L331-W335 HydrophobicContact CG-CZ2 4.45Å; L331-W335 WeakPolarHBondContact O-CB 3.36Å; L331-W335 VanDerWaalsContact O-CG 3.24Å; L331-W335 PolarHBondContact O-N 3.5Å; L331-M343 HydrophobicContact CB-CE 4.25Å |
| 332 | E | 97.4 | Very high | 96.8 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 178.8 | -174.3 | 163.4 | 157.9 | 0 | 0 | 111.9 | G328 W335 K336 M343 R374 W378 | G328-E332 WeakPolarHBondContact O-CB 3.45Å; G328-E332 PolarHBondContact O-N 2.88Å; E332-W335 PolarHBondContact O-N 3.45Å; E332-K336 HydrophobicContact CG-CD 4.08Å; E332-K336 HydrophobicContact CG-CG 4.43Å; E332-K336 WeakPolarHBondContact O-CB 3.48Å; E332-K336 VanDerWaalsContact O-CG 3.32Å; E332-K336 WeakPolarHBondContact O-CG 3.35Å; E332-K336 PolarHBondContact O-N 2.99Å; E332-K336 WeakPolarHBondContact OE1-CE 3.34Å; E332-K336 IonicContact OE1-NZ 2.66Å; E332-K336 PolarHBondContact OE1-NZ 3Å; E332-M343 HydrophobicContact CB-CE 3.74Å; E332-M343 HydrophobicContact CB-CG 4.35Å; E332-M343 HydrophobicContact CG-CB 4.31Å; E332-M343 HydrophobicContact CG-CG 4.24Å; E332-M343 WeakPolarHBondContact OE2-CG 3.39Å; E332-R374 IonicContact OE1-NE 2.68Å; E332-R374 IonicContact OE1-NH2 2.68Å; E332-R374 WeakPolarHBondContact OE2-CG 3.5Å; E332-R374 IonicContact OE2-NE 2.75Å; E332-R374 PolarHBondContact OE2-NE 2.81Å; E332-W378 PolarHBondContact OE2-NE1 3.09Å |
| 333 | D | 96 | Very high | 96.7 | Very high | 66 Ų | 66 | 48.2 Ų | 48.2 | 35% | 0.353 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.4 | -48.2 | 176.9 | -64.4 | -29.1 | 0 | 0 | 0 | 111 | S329 W335 K336 E337 R380 | S329-D333 VanDerWaalsContact O-CG 3.29Å; S329-D333 PolarHBondContact O-N 3.48Å; D333-W335 VanDerWaalsContact C-N 3.31Å; D333-W335 PolarHBondContact O-N 2.88Å; D333-K336 PolarHBondContact O-N 3.49Å; D333-E337 WeakPolarHBondContact O-CB 3.44Å; D333-E337 PolarHBondContact O-N 3.24Å; D333-R380 IonicContact OD1-NH1 3.42Å; D333-R380 PolarHBondContact OD1-NH1 3.26Å; D333-R380 IonicContact OD2-CZ 2.73Å; D333-R380 VanDerWaalsContact OD2-CZ 3.27Å; D333-R380 IonicContact OD2-NH1 3.06Å; D333-R380 PolarHBondContact OD2-NH1 2.98Å; D333-R380 IonicContact OD2-NH2 3.71Å; D333-R380 PolarHBondContact OD2-NH2 3.33Å |
| 334 | A | 95.8 | Very high | 96.7 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 13% | 0.132 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.1 | -30.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q298 V330 L331 K338 | Q298-A334 VanDerWaalsContact NE2-CB 3.26Å; V330-A334 WeakPolarHBondContact O-CB 3.34Å; V330-A334 PolarHBondContact O-N 3.35Å; V330-A334 VanDerWaalsContact O-N 3.08Å; L331-A334 PolarHBondContact O-N 3.33Å; A334-K338 WeakPolarHBondContact O-CG 2.98Å |
| 335 | W | 96.7 | Very high | 96.7 | Very high | 5 Ų | 5 | 56.1 Ų | 56.1 | 2% | 0.019 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -76.6 | -41.9 | 173.4 | -69.1 | -39.5 | 0 | 0 | 0 | 111.9 | Q298 R302 L331 E332 D333 E337 K338 G339 K340 D342 M343 | Q298-W335 VanDerWaalsContact NE2-NE1 3.16Å; R302-W335 HydrophobicContact CB-CZ2 4.03Å; L331-W335 HydrophobicContact CB-CD2 4.35Å; L331-W335 HydrophobicContact CB-CE3 4.04Å; L331-W335 HydrophobicContact CB-CH2 3.92Å; L331-W335 HydrophobicContact CB-CZ2 4.19Å; L331-W335 HydrophobicContact CB-CZ3 3.85Å; L331-W335 HydrophobicContact CD1-CH2 4.01Å; L331-W335 HydrophobicContact CD1-CZ2 4.38Å; L331-W335 HydrophobicContact CD2-CH2 4.44Å; L331-W335 HydrophobicContact CD2-CZ2 4.04Å; L331-W335 HydrophobicContact CG-CH2 4.36Å; L331-W335 HydrophobicContact CG-CZ2 4.45Å; L331-W335 WeakPolarHBondContact O-CB 3.36Å; L331-W335 VanDerWaalsContact O-CG 3.24Å; L331-W335 PolarHBondContact O-N 3.5Å; E332-W335 PolarHBondContact O-N 3.45Å; D333-W335 VanDerWaalsContact C-N 3.31Å; D333-W335 PolarHBondContact O-N 2.88Å; W335-E337 PolarHBondContact O-N 3.32Å; W335-K338 CarbonylContact O-C 3.48Å; W335-K338 PolarHBondContact O-N 3.18Å; W335-K338 VanDerWaalsContact O-N 3.16Å; W335-G339 PolarHBondContact O-N 2.82Å; W335-K340 HydrophobicContact CB-CB 4.24Å; W335-K340 PolarHBondContact O-N 3.34Å; W335-D342 HydrophobicContact CB-CB 4.4Å; W335-D342 HydrophobicContact CD2-CB 3.34Å; W335-D342 HydrophobicContact CE3-CB 3.56Å; W335-D342 HydrophobicContact CG-CB 3.73Å; W335-D342 HydrophobicContact CH2-CB 4.09Å; W335-D342 HydrophobicContact CZ2-CB 3.92Å; W335-D342 HydrophobicContact CZ3-CB 3.9Å; W335-M343 HydrophobicContact CE3-CB 3.87Å; W335-M343 HydrophobicContact CE3-CE 4.05Å; W335-M343 HydrophobicContact CZ3-CB 4.03Å; W335-M343 HydrophobicContact CZ3-CE 3.57Å; W335-M343 HydrophobicContact CZ3-SD 3.99Å |
| 336 | K | 95.5 | Very high | 96.7 | Very high | 109 Ų | 109 | 49.7 Ų | 49.7 | 47% | 0.474 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 175.3 | -78.7 | 178.1 | -178.5 | 168.5 | 0 | 112.2 | E332 D333 K338 G339 | E332-K336 HydrophobicContact CG-CD 4.08Å; E332-K336 HydrophobicContact CG-CG 4.43Å; E332-K336 WeakPolarHBondContact O-CB 3.48Å; E332-K336 VanDerWaalsContact O-CG 3.32Å; E332-K336 WeakPolarHBondContact O-CG 3.35Å; E332-K336 PolarHBondContact O-N 2.99Å; E332-K336 WeakPolarHBondContact OE1-CE 3.34Å; E332-K336 IonicContact OE1-NZ 2.66Å; E332-K336 PolarHBondContact OE1-NZ 3Å; D333-K336 PolarHBondContact O-N 3.49Å; K336-K338 PolarHBondContact O-N 3.26Å; K336-G339 PolarHBondContact O-N 3.33Å |
| 337 | E | 95 | Very high | 96.7 | Very high | 172 Ų | 172 | 47.8 Ų | 47.8 | 80% | 0.804 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -58.3 | -37 | 176.1 | -174.8 | 178.6 | -169.3 | 0 | 0 | 111.7 | D333 W335 G339 | D333-E337 WeakPolarHBondContact O-CB 3.44Å; D333-E337 PolarHBondContact O-N 3.24Å; W335-E337 PolarHBondContact O-N 3.32Å; E337-G339 VanDerWaalsContact C-N 3.32Å |
| 338 | K | 93.2 | Very high | 96.7 | Very high | 100 Ų | 100 | 52.5 Ų | 52.5 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 2.1 | 176.5 | -66.7 | 175.8 | -177.5 | 168.9 | 0 | 113.8 | D295 A334 W335 K336 K340 | D295-K338 IonicContact OD1-NZ 2.79Å; D295-K338 PolarHBondContact OD1-NZ 3.07Å; A334-K338 WeakPolarHBondContact O-CG 2.98Å; W335-K338 CarbonylContact O-C 3.48Å; W335-K338 PolarHBondContact O-N 3.18Å; W335-K338 VanDerWaalsContact O-N 3.16Å; K336-K338 PolarHBondContact O-N 3.26Å; K338-K340 VanDerWaalsContact C-N 3.26Å; K338-K340 HydrophobicContact CB-CG 4.09Å; K338-K340 PolarHBondContact O-N 2.83Å |
| 339 | G | 94.4 | Very high | 96.7 | Very high | 64 Ų | 64 | 56.5 Ų | 56.5 | 66% | 0.66 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 25.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | W335 K336 E337 | W335-G339 PolarHBondContact O-N 2.82Å; K336-G339 PolarHBondContact O-N 3.33Å; E337-G339 VanDerWaalsContact C-N 3.32Å |
| 340 | K | 95.8 | Very high | 96.8 | Very high | 87 Ų | 87 | 55.3 Ų | 55.3 | 38% | 0.378 | 28% | 0.277 | S | S | . | . | trans | -93.9 | 145 | 178.3 | -58 | -172.3 | 177.3 | -177.9 | 0 | 111.4 | W335 K338 D342 | W335-K340 HydrophobicContact CB-CB 4.24Å; W335-K340 PolarHBondContact O-N 3.34Å; K338-K340 VanDerWaalsContact C-N 3.26Å; K338-K340 HydrophobicContact CB-CG 4.09Å; K338-K340 PolarHBondContact O-N 2.83Å; K340-D342 VanDerWaalsContact C-N 3.32Å; K340-D342 WeakPolarHBondContact CB-OD2 3.5Å; K340-D342 WeakPolarHBondContact CD-OD2 3.47Å | ||
| 341 | M | 96.4 | Very high | 96.8 | Very high | 114 Ų | 114 | 57.8 Ų | 57.8 | 56% | 0.562 | 29% | 0.286 | S | S | * | . | trans | -97.2 | 24.4 | -179.2 | -57.5 | -58.9 | -65.1 | 0 | 0 | 112.5 | M343 E344 E345 | M341-M343 VanDerWaalsContact C-N 3.29Å; M341-M343 PolarHBondContact O-N 3.04Å; M341-E344 VanDerWaalsContact CA-OE2 3.28Å; M341-E344 WeakPolarHBondContact CA-OE2 3.44Å; M341-E344 HydrophobicContact CE-CB 4.25Å; M341-E344 HydrophobicContact CE-CG 3.62Å; M341-E344 PolarHBondContact O-N 3.25Å; M341-E345 PolarHBondContact O-N 3.18Å; M341-E345 VanDerWaalsContact O-N 3.12Å | ||
| 342 | D | 97.5 | Very high | 96.8 | Very high | 27 Ų | 27 | 61.1 Ų | 61.1 | 14% | 0.144 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.1 | -38.8 | -172.4 | -77.4 | -84.3 | 0 | 0 | 0 | 112.3 | R302 W335 K340 E345 I346 | R302-D342 IonicContact CZ-OD1 3.86Å; R302-D342 PolarHBondContact NH1-O 3.21Å; R302-D342 IonicContact NH1-OD1 2.81Å; R302-D342 PolarHBondContact NH1-OD1 3.17Å; W335-D342 HydrophobicContact CB-CB 4.4Å; W335-D342 HydrophobicContact CD2-CB 3.34Å; W335-D342 HydrophobicContact CE3-CB 3.56Å; W335-D342 HydrophobicContact CG-CB 3.73Å; W335-D342 HydrophobicContact CH2-CB 4.09Å; W335-D342 HydrophobicContact CZ2-CB 3.92Å; W335-D342 HydrophobicContact CZ3-CB 3.9Å; K340-D342 VanDerWaalsContact C-N 3.32Å; K340-D342 WeakPolarHBondContact CB-OD2 3.5Å; K340-D342 WeakPolarHBondContact CD-OD2 3.47Å; D342-E345 PolarHBondContact O-N 3.24Å; D342-I346 WeakPolarHBondContact O-CG1 3.25Å; D342-I346 PolarHBondContact O-N 2.97Å |
| 343 | M | 97.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.015 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.2 | -38.3 | -180 | -166.3 | 59.2 | 81.4 | 0 | 0 | 111.7 | L324 G328 L331 E332 W335 M341 E345 I346 I347 R374 W378 | L324-M343 HydrophobicContact CD2-SD 4.48Å; G328-M343 WeakPolarHBondContact O-CE 3.38Å; L331-M343 HydrophobicContact CB-CE 4.25Å; E332-M343 HydrophobicContact CB-CE 3.74Å; E332-M343 HydrophobicContact CB-CG 4.35Å; E332-M343 HydrophobicContact CG-CB 4.31Å; E332-M343 HydrophobicContact CG-CG 4.24Å; E332-M343 WeakPolarHBondContact OE2-CG 3.39Å; W335-M343 HydrophobicContact CE3-CB 3.87Å; W335-M343 HydrophobicContact CE3-CE 4.05Å; W335-M343 HydrophobicContact CZ3-CB 4.03Å; W335-M343 HydrophobicContact CZ3-CE 3.57Å; W335-M343 HydrophobicContact CZ3-SD 3.99Å; M341-M343 VanDerWaalsContact C-N 3.29Å; M341-M343 PolarHBondContact O-N 3.04Å; M343-E345 VanDerWaalsContact C-N 3.33Å; M343-E345 PolarHBondContact O-N 2.91Å; M343-I346 PolarHBondContact O-N 3.04Å; M343-I346 HydrophobicContact SD-CG2 4.49Å; M343-I347 VanDerWaalsContact O-CG1 3.27Å; M343-I347 WeakPolarHBondContact O-CG1 3.22Å; M343-I347 PolarHBondContact O-N 3.36Å; M343-R374 VanDerWaalsContact CG-NE 3.28Å; M343-W378 HydrophobicContact CE-CH2 4.29Å; M343-W378 HydrophobicContact CE-CZ2 3.63Å; M343-W378 HydrophobicContact SD-CH2 4.43Å; M343-W378 HydrophobicContact SD-CZ2 3.91Å |
| 344 | E | 97.8 | Very high | 96.8 | Very high | 67 Ų | 67 | 59.4 Ų | 59.4 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 174.1 | -71.4 | 72.6 | -157.1 | 0 | 0 | 111.4 | M341 I346 I347 Q348 R374 | M341-E344 VanDerWaalsContact CA-OE2 3.28Å; M341-E344 WeakPolarHBondContact CA-OE2 3.44Å; M341-E344 HydrophobicContact CE-CB 4.25Å; M341-E344 HydrophobicContact CE-CG 3.62Å; M341-E344 PolarHBondContact O-N 3.25Å; E344-I346 PolarHBondContact O-N 3.21Å; E344-I347 PolarHBondContact O-N 3.45Å; E344-Q348 PolarHBondContact O-N 3.05Å; E344-R374 IonicContact OE1-CZ 3.24Å; E344-R374 IonicContact OE1-NH2 3.48Å; E344-R374 PolarHBondContact OE1-NH2 3.18Å |
| 345 | E | 98.1 | Very high | 96.9 | Very high | 102 Ų | 102 | 64.9 Ų | 64.9 | 48% | 0.477 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 176.8 | -67.8 | 177 | -175.9 | 0 | 0 | 112.6 | R302 M341 D342 M343 Q348 R349 | R302-E345 IonicContact CZ-OE2 3.46Å; R302-E345 VanDerWaalsContact CZ-OE2 3.24Å; R302-E345 IonicContact NH1-OE2 3.5Å; R302-E345 PolarHBondContact NH1-OE2 3.33Å; R302-E345 VanDerWaalsContact NH2-CB 3.35Å; R302-E345 IonicContact NH2-OE2 3.31Å; R302-E345 PolarHBondContact NH2-OE2 3.11Å; M341-E345 PolarHBondContact O-N 3.18Å; M341-E345 VanDerWaalsContact O-N 3.12Å; D342-E345 PolarHBondContact O-N 3.24Å; M343-E345 VanDerWaalsContact C-N 3.33Å; M343-E345 PolarHBondContact O-N 2.91Å; E345-Q348 PolarHBondContact O-N 3.23Å; E345-R349 WeakPolarHBondContact O-CG 3.46Å; E345-R349 PolarHBondContact O-N 3.36Å |
| 346 | I | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 174.6 | -72.3 | -61.4 | 0 | 0 | 0 | 111 | L305 F309 L324 D342 M343 E344 R349 I350 | L305-I346 HydrophobicContact CB-CD1 3.8Å; L305-I346 HydrophobicContact CD1-CD1 4.25Å; L305-I346 HydrophobicContact CD1-CG1 4.48Å; F309-I346 HydrophobicContact CD2-CD1 4.43Å; F309-I346 HydrophobicContact CE2-CD1 4.31Å; F309-I346 HydrophobicContact CE2-CG2 4.01Å; L324-I346 HydrophobicContact CD1-CG2 4.1Å; L324-I346 HydrophobicContact CD2-CG2 4.28Å; D342-I346 WeakPolarHBondContact O-CG1 3.25Å; D342-I346 PolarHBondContact O-N 2.97Å; M343-I346 PolarHBondContact O-N 3.04Å; M343-I346 HydrophobicContact SD-CG2 4.49Å; E344-I346 PolarHBondContact O-N 3.21Å; I346-R349 WeakPolarHBondContact O-CB 3.36Å; I346-R349 PolarHBondContact O-N 2.68Å; I346-I350 HydrophobicContact CG2-CD1 4.04Å; I346-I350 WeakPolarHBondContact O-CG1 3.41Å; I346-I350 PolarHBondContact O-N 3.35Å |
| 347 | I | 98 | Very high | 96.6 | Very high | 12 Ų | 12 | 66.5 Ų | 66.5 | 6% | 0.062 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 176.9 | -66.6 | -73 | 0 | 0 | 0 | 111.2 | M343 E344 R349 I350 E351 V371 R374 | M343-I347 VanDerWaalsContact O-CG1 3.27Å; M343-I347 WeakPolarHBondContact O-CG1 3.22Å; M343-I347 PolarHBondContact O-N 3.36Å; E344-I347 PolarHBondContact O-N 3.45Å; I347-R349 VanDerWaalsContact C-N 3.26Å; I347-R349 PolarHBondContact O-N 3.14Å; I347-I350 HydrophobicContact CD1-CD1 4.25Å; I347-I350 WeakPolarHBondContact O-CB 3.48Å; I347-I350 PolarHBondContact O-N 2.94Å; I347-E351 HydrophobicContact CG2-CG 4.49Å; I347-E351 WeakPolarHBondContact O-CG 3.44Å; I347-E351 PolarHBondContact O-N 2.84Å; I347-V371 HydrophobicContact CD1-CG2 4.24Å; I347-V371 HydrophobicContact CG2-CG1 4.31Å; I347-V371 HydrophobicContact CG2-CG2 4.35Å; I347-R374 HydrophobicContact CD1-CB 4.17Å; I347-R374 HydrophobicContact CD1-CG 4.39Å |
| 348 | Q | 98 | Very high | 96.6 | Very high | 98 Ų | 98 | 66.5 Ų | 66.5 | 46% | 0.458 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 176 | -170.3 | 62.1 | 76 | 0 | 0 | 111.8 | E344 E345 E351 N352 | E344-Q348 PolarHBondContact O-N 3.05Å; E345-Q348 PolarHBondContact O-N 3.23Å; Q348-E351 PolarHBondContact NE2-OE2 3.28Å; Q348-E351 PolarHBondContact O-N 3.45Å; Q348-N352 PolarHBondContact NE2-OD1 3.15Å; Q348-N352 PolarHBondContact O-N 2.76Å; Q348-N352 PolarHBondContact O-ND2 2.83Å; Q348-N352 PolarHBondContact O-OD1 3.22Å |
| 349 | R | 97.8 | Very high | 96.6 | Very high | 84 Ų | 84 | 62.4 Ų | 62.4 | 32% | 0.317 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 173.5 | -77.6 | 174.5 | 161.7 | -105.6 | 1.7 | 112 | N306 F309 S310 E345 I346 I347 E351 N352 V353 | N306-R349 PolarHBondContact O-NH1 3.09Å; N306-R349 PolarHBondContact OD1-NE 3.27Å; F309-R349 HydrophobicContact CD2-CB 4.44Å; S310-R349 PolarHBondContact OG-NH1 3.01Å; E345-R349 WeakPolarHBondContact O-CG 3.46Å; E345-R349 PolarHBondContact O-N 3.36Å; I346-R349 WeakPolarHBondContact O-CB 3.36Å; I346-R349 PolarHBondContact O-N 2.68Å; I347-R349 VanDerWaalsContact C-N 3.26Å; I347-R349 PolarHBondContact O-N 3.14Å; R349-E351 VanDerWaalsContact C-N 3.35Å; R349-N352 PolarHBondContact O-N 3.44Å; R349-V353 WeakPolarHBondContact O-CG2 3.23Å; R349-V353 PolarHBondContact O-N 2.88Å |
| 350 | I | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 175.8 | -70.9 | 166.1 | 0 | 0 | 0 | 110.5 | F309 L324 I346 I347 N352 V353 V354 L367 V371 | F309-I350 HydrophobicContact CD1-CG1 4.46Å; F309-I350 HydrophobicContact CE1-CD1 4.48Å; F309-I350 HydrophobicContact CE1-CG1 3.67Å; F309-I350 HydrophobicContact CE2-CG1 4.13Å; F309-I350 HydrophobicContact CZ-CD1 3.89Å; F309-I350 HydrophobicContact CZ-CG1 3.48Å; F309-I350 VanDerWaalsContact CZ-CG1 3.48Å; L324-I350 HydrophobicContact CD1-CD1 3.77Å; I346-I350 HydrophobicContact CG2-CD1 4.04Å; I346-I350 WeakPolarHBondContact O-CG1 3.41Å; I346-I350 PolarHBondContact O-N 3.35Å; I347-I350 HydrophobicContact CD1-CD1 4.25Å; I347-I350 WeakPolarHBondContact O-CB 3.48Å; I347-I350 PolarHBondContact O-N 2.94Å; I350-N352 PolarHBondContact O-N 3Å; I350-V353 PolarHBondContact O-N 3.29Å; I350-V354 WeakPolarHBondContact O-CG2 3.39Å; I350-V354 PolarHBondContact O-N 3.15Å; I350-L367 HydrophobicContact CG1-CD2 4.39Å; I350-L367 HydrophobicContact CG2-CB 3.82Å; I350-L367 HydrophobicContact CG2-CD2 4.04Å; I350-L367 HydrophobicContact CG2-CG 4.37Å; I350-V371 HydrophobicContact CG2-CG2 3.86Å |
| 351 | E | 97.4 | Very high | 96.8 | Very high | 78 Ų | 78 | 68 Ų | 68 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 177.4 | -70.2 | 173.6 | 178.1 | 0 | 0 | 111.8 | I347 Q348 R349 V353 V354 L355 | I347-E351 HydrophobicContact CG2-CG 4.49Å; I347-E351 WeakPolarHBondContact O-CG 3.44Å; I347-E351 PolarHBondContact O-N 2.84Å; Q348-E351 PolarHBondContact NE2-OE2 3.28Å; Q348-E351 PolarHBondContact O-N 3.45Å; R349-E351 VanDerWaalsContact C-N 3.35Å; E351-V353 VanDerWaalsContact C-N 3.33Å; E351-V353 PolarHBondContact O-N 3.26Å; E351-V354 PolarHBondContact O-N 3.34Å; E351-V354 VanDerWaalsContact O-N 3.15Å; E351-L355 WeakPolarHBondContact O-CG 3.49Å; E351-L355 PolarHBondContact O-N 3.47Å |
| 352 | N | 97.6 | Very high | 96.9 | Very high | 71 Ų | 71 | 67 Ų | 67 | 38% | 0.38 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 176.9 | -64.9 | -11.2 | 0 | 0 | 0 | 111.6 | Q348 R349 I350 V354 L355 D356 | Q348-N352 PolarHBondContact NE2-OD1 3.15Å; Q348-N352 PolarHBondContact O-N 2.76Å; Q348-N352 PolarHBondContact O-ND2 2.83Å; Q348-N352 PolarHBondContact O-OD1 3.22Å; R349-N352 PolarHBondContact O-N 3.44Å; I350-N352 PolarHBondContact O-N 3Å; N352-V354 VanDerWaalsContact C-N 3.35Å; N352-V354 PolarHBondContact O-N 3.12Å; N352-L355 PolarHBondContact O-N 3.31Å; N352-D356 WeakPolarHBondContact O-CB 3.33Å; N352-D356 PolarHBondContact O-N 3.03Å |
| 353 | V | 97.3 | Very high | 96.9 | Very high | 12 Ų | 12 | 65.8 Ų | 65.8 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 175.2 | 168.7 | 0 | 0 | 0 | 0 | 111.2 | F309 P312 L317 R349 I350 E351 L355 A357 L367 | F309-V353 HydrophobicContact CB-CG2 4.48Å; F309-V353 HydrophobicContact CD1-CG2 4.43Å; P312-V353 HydrophobicContact CB-CG1 3.98Å; P312-V353 HydrophobicContact CB-CG2 4.24Å; L317-V353 HydrophobicContact CD1-CG1 3.82Å; L317-V353 HydrophobicContact CD2-CG1 3.84Å; R349-V353 WeakPolarHBondContact O-CG2 3.23Å; R349-V353 PolarHBondContact O-N 2.88Å; I350-V353 PolarHBondContact O-N 3.29Å; E351-V353 VanDerWaalsContact C-N 3.33Å; E351-V353 PolarHBondContact O-N 3.26Å; V353-L355 VanDerWaalsContact C-N 3.29Å; V353-L355 PolarHBondContact O-N 3.03Å; V353-A357 HydrophobicContact CB-CB 4.48Å; V353-A357 HydrophobicContact CG1-CB 3.84Å; V353-A357 WeakPolarHBondContact O-CB 3.35Å; V353-A357 PolarHBondContact O-N 2.69Å; V353-L367 HydrophobicContact CB-CD1 4.47Å; V353-L367 HydrophobicContact CG1-CD1 3.75Å |
| 354 | V | 97.3 | Very high | 97 | Very high | 26 Ų | 26 | 68 Ų | 68 | 16% | 0.158 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.4 | -40 | 178.3 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | I350 E351 N352 K364 L367 L368 | I350-V354 WeakPolarHBondContact O-CG2 3.39Å; I350-V354 PolarHBondContact O-N 3.15Å; E351-V354 PolarHBondContact O-N 3.34Å; E351-V354 VanDerWaalsContact O-N 3.15Å; N352-V354 VanDerWaalsContact C-N 3.35Å; N352-V354 PolarHBondContact O-N 3.12Å; V354-K364 WeakPolarHBondContact O-CE 3.48Å; V354-K364 PolarHBondContact O-NZ 3.4Å; V354-L367 HydrophobicContact CG2-CB 3.75Å; V354-L367 HydrophobicContact CG2-CD1 4.01Å; V354-L368 HydrophobicContact CG1-CD2 4.12Å; V354-L368 HydrophobicContact CG1-CG 4.26Å; V354-L368 HydrophobicContact CG2-CD2 4.48Å; V354-L368 HydrophobicContact CG2-CG 4.43Å |
| 355 | L | 96.1 | Very high | 97 | Very high | 130 Ų | 130 | 69 Ų | 69 | 68% | 0.681 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -73.4 | -49.2 | 179.5 | -65.7 | 173.6 | 0 | 0 | 0 | 112.7 | E351 N352 V353 | E351-L355 WeakPolarHBondContact O-CG 3.49Å; E351-L355 PolarHBondContact O-N 3.47Å; N352-L355 PolarHBondContact O-N 3.31Å; V353-L355 VanDerWaalsContact C-N 3.29Å; V353-L355 PolarHBondContact O-N 3.03Å |
| 356 | D | 94.4 | Very high | 97 | Very high | 136 Ų | 136 | 67.8 Ų | 67.8 | 73% | 0.727 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -104.6 | -27.7 | -162.1 | -60 | -30.5 | 0 | 0 | 0 | 114 | N352 | N352-D356 WeakPolarHBondContact O-CB 3.33Å; N352-D356 PolarHBondContact O-N 3.03Å |
| 357 | A | 93 | Very high | 97 | Very high | 13 Ų | 13 | 67.8 Ų | 67.8 | 11% | 0.107 | 33% | 0.334 | C | S | . | . | trans | -80.3 | 146.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P312 V353 C359 K364 | P312-A357 HydrophobicContact CB-CB 3.78Å; P312-A357 HydrophobicContact CG-CB 3.79Å; V353-A357 HydrophobicContact CB-CB 4.48Å; V353-A357 HydrophobicContact CG1-CB 3.84Å; V353-A357 WeakPolarHBondContact O-CB 3.35Å; V353-A357 PolarHBondContact O-N 2.69Å; A357-C359 VanDerWaalsContact C-N 3.28Å; A357-C359 PolarHBondContact O-N 3.14Å; A357-K364 WeakPolarHBondContact O-CE 3.28Å; A357-K364 PolarHBondContact O-NZ 3.09Å | ||
| 358 | N | 94.2 | Very high | 97 | Very high | 172 Ų | 172 | 70.7 Ų | 70.7 | 92% | 0.92 | 35% | 0.35 | S | S | * | . | trans | -91.9 | 51.1 | 175.3 | -168.5 | 49.7 | 0 | 0 | 0 | 112 | ||||
| 359 | C | 94.1 | Very high | 97 | Very high | 14 Ų | 14 | 71.1 Ų | 71.1 | 10% | 0.095 | 35% | 0.35 | C | S | . | . | trans | -92.8 | 164.6 | 173.2 | 59.1 | 0 | 0 | 0 | 0 | 111.5 | D314 L317 A357 K364 | D314-C359 WeakPolarHBondContact OD1-CA 3.48Å; D314-C359 WeakPolarHBondContact OD1-CB 3.37Å; L317-C359 HydrophobicContact CD1-CB 3.64Å; A357-C359 VanDerWaalsContact C-N 3.28Å; A357-C359 PolarHBondContact O-N 3.14Å; C359-K364 VanDerWaalsContact SG-CE 3.59Å; C359-K364 VanDerWaalsContact SG-CG 3.52Å | ||
| 360 | S | 97.3 | Very high | 97 | Very high | 50 Ų | 50 | 67.1 Ų | 67.1 | 35% | 0.35 | 34% | 0.335 | S | S | . | . | trans | -63.4 | 149.8 | -175.9 | -64.7 | 0 | 0 | 0 | 0 | 112.6 | D314 D362 V363 K364 | D314-S360 PolarHBondContact OD1-N 2.89Å; D314-S360 WeakPolarHBondContact OD2-CB 3.35Å; D314-S360 PolarHBondContact OD2-OG 3.44Å; S360-D362 VanDerWaalsContact C-N 3.3Å; S360-D362 WeakPolarHBondContact CB-OD1 3.32Å; S360-D362 PolarHBondContact O-N 3.12Å; S360-V363 WeakPolarHBondContact O-CB 3.36Å; S360-V363 PolarHBondContact O-N 3.49Å; S360-V363 VanDerWaalsContact O-N 3.13Å; S360-K364 PolarHBondContact O-N 2.95Å | ||
| 361 | R | 97.3 | Very high | 97 | Very high | 219 Ų | 219 | 68.8 Ų | 68.8 | 83% | 0.826 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.9 | -39.1 | -174.5 | 179.6 | -177.1 | 171.5 | -159.4 | -2.7 | 112.6 | K364 Q365 | R361-K364 PolarHBondContact O-N 2.78Å; R361-Q365 PolarHBondContact O-N 2.76Å |
| 362 | D | 97.9 | Very high | 96.9 | Very high | 93 Ų | 93 | 69.1 Ų | 69.1 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 175.3 | 61.7 | -37.7 | 0 | 0 | 0 | 111.6 | S360 Q365 M366 | S360-D362 VanDerWaalsContact C-N 3.3Å; S360-D362 WeakPolarHBondContact CB-OD1 3.32Å; S360-D362 PolarHBondContact O-N 3.12Å; D362-Q365 CarbonylContact O-C 3.4Å; D362-Q365 WeakPolarHBondContact O-CA 3.32Å; D362-Q365 WeakPolarHBondContact O-CB 3.32Å; D362-Q365 PolarHBondContact O-N 3.33Å; D362-Q365 VanDerWaalsContact O-N 3.11Å; D362-M366 WeakPolarHBondContact O-CG 3.38Å; D362-M366 PolarHBondContact O-N 3.33Å |
| 363 | V | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 174.5 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | D314 L317 I318 S360 Q365 M366 L367 | D314-V363 HydrophobicContact CB-CG2 3.93Å; L317-V363 HydrophobicContact CB-CG1 3.5Å; L317-V363 VanDerWaalsContact CB-CG1 3.5Å; L317-V363 HydrophobicContact CD1-CG1 3.72Å; L317-V363 HydrophobicContact CG-CG1 4.27Å; I318-V363 HydrophobicContact CD1-CG2 4.19Å; I318-V363 HydrophobicContact CG1-CG2 4.19Å; S360-V363 WeakPolarHBondContact O-CB 3.36Å; S360-V363 PolarHBondContact O-N 3.49Å; S360-V363 VanDerWaalsContact O-N 3.13Å; V363-Q365 PolarHBondContact O-N 3.02Å; V363-M366 WeakPolarHBondContact O-CB 3.47Å; V363-M366 PolarHBondContact O-N 3.47Å; V363-M366 VanDerWaalsContact O-N 3.12Å; V363-L367 WeakPolarHBondContact O-CG 3.31Å; V363-L367 PolarHBondContact O-N 2.68Å |
| 364 | K | 97.9 | Very high | 96.8 | Very high | 50 Ų | 50 | 70.1 Ų | 70.1 | 22% | 0.217 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.9 | -39.7 | 171.8 | -66.8 | -169.4 | 179.1 | -155.3 | 0 | 111.9 | V354 A357 C359 S360 R361 L367 L368 | V354-K364 WeakPolarHBondContact O-CE 3.48Å; V354-K364 PolarHBondContact O-NZ 3.4Å; A357-K364 WeakPolarHBondContact O-CE 3.28Å; A357-K364 PolarHBondContact O-NZ 3.09Å; C359-K364 VanDerWaalsContact SG-CE 3.59Å; C359-K364 VanDerWaalsContact SG-CG 3.52Å; S360-K364 PolarHBondContact O-N 2.95Å; R361-K364 PolarHBondContact O-N 2.78Å; K364-L367 WeakPolarHBondContact O-CB 3.44Å; K364-L367 PolarHBondContact O-N 2.67Å; K364-L368 WeakPolarHBondContact O-CG 3.49Å; K364-L368 PolarHBondContact O-N 3.14Å |
| 365 | Q | 98.1 | Very high | 96.7 | Very high | 87 Ų | 87 | 73.6 Ų | 73.6 | 41% | 0.407 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.6 | -37.8 | 176.4 | -172.3 | 60.1 | 63.3 | 0 | 0 | 112.3 | R361 D362 V363 L367 L368 K369 | R361-Q365 PolarHBondContact O-N 2.76Å; D362-Q365 CarbonylContact O-C 3.4Å; D362-Q365 WeakPolarHBondContact O-CA 3.32Å; D362-Q365 WeakPolarHBondContact O-CB 3.32Å; D362-Q365 PolarHBondContact O-N 3.33Å; D362-Q365 VanDerWaalsContact O-N 3.11Å; V363-Q365 PolarHBondContact O-N 3.02Å; Q365-L367 VanDerWaalsContact C-N 3.34Å; Q365-L368 PolarHBondContact O-N 3.03Å; Q365-K369 VanDerWaalsContact O-CG 3.3Å; Q365-K369 WeakPolarHBondContact O-CG 3.48Å; Q365-K369 PolarHBondContact O-N 2.77Å |
| 366 | M | 98.3 | Very high | 96.6 | Very high | 76 Ų | 76 | 71 Ų | 71 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 173.3 | -66.8 | -174.5 | -165.1 | 0 | 0 | 111.5 | I318 V321 D362 V363 K369 L370 | I318-M366 HydrophobicContact CG1-SD 4.34Å; V321-M366 HydrophobicContact CG1-CB 4.43Å; V321-M366 HydrophobicContact CG2-CB 4.21Å; D362-M366 WeakPolarHBondContact O-CG 3.38Å; D362-M366 PolarHBondContact O-N 3.33Å; V363-M366 WeakPolarHBondContact O-CB 3.47Å; V363-M366 PolarHBondContact O-N 3.47Å; V363-M366 VanDerWaalsContact O-N 3.12Å; M366-K369 WeakPolarHBondContact O-CB 3.5Å; M366-K369 PolarHBondContact O-N 2.99Å; M366-L370 PolarHBondContact O-N 3.46Å; M366-L370 VanDerWaalsContact O-N 3.1Å |
| 367 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 176.4 | -72 | 176.7 | 0 | 0 | 0 | 112.1 | F309 L317 V321 I350 V353 V354 V363 K364 Q365 K369 L370 V371 | F309-L367 HydrophobicContact CE1-CD2 4.17Å; L317-L367 HydrophobicContact CD1-CD1 4.24Å; L317-L367 HydrophobicContact CD2-CD1 4.4Å; V321-L367 HydrophobicContact CG2-CD2 3.79Å; V321-L367 HydrophobicContact CG2-CG 4.46Å; I350-L367 HydrophobicContact CG1-CD2 4.39Å; I350-L367 HydrophobicContact CG2-CB 3.82Å; I350-L367 HydrophobicContact CG2-CD2 4.04Å; I350-L367 HydrophobicContact CG2-CG 4.37Å; V353-L367 HydrophobicContact CB-CD1 4.47Å; V353-L367 HydrophobicContact CG1-CD1 3.75Å; V354-L367 HydrophobicContact CG2-CB 3.75Å; V354-L367 HydrophobicContact CG2-CD1 4.01Å; V363-L367 WeakPolarHBondContact O-CG 3.31Å; V363-L367 PolarHBondContact O-N 2.68Å; K364-L367 WeakPolarHBondContact O-CB 3.44Å; K364-L367 PolarHBondContact O-N 2.67Å; Q365-L367 VanDerWaalsContact C-N 3.34Å; L367-K369 VanDerWaalsContact C-N 3.28Å; L367-K369 PolarHBondContact O-N 3.42Å; L367-L370 HydrophobicContact CD2-CD1 4.33Å; L367-L370 WeakPolarHBondContact O-CB 3.37Å; L367-L370 PolarHBondContact O-N 3.04Å; L367-V371 PolarHBondContact O-N 3.07Å |
| 368 | L | 98.1 | Very high | 96.7 | Very high | 73 Ų | 73 | 67.2 Ų | 67.2 | 38% | 0.382 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 174.2 | -71.9 | 173.3 | 0 | 0 | 0 | 111.9 | V354 K364 Q365 L370 V371 E372 | V354-L368 HydrophobicContact CG1-CD2 4.12Å; V354-L368 HydrophobicContact CG1-CG 4.26Å; V354-L368 HydrophobicContact CG2-CD2 4.48Å; V354-L368 HydrophobicContact CG2-CG 4.43Å; K364-L368 WeakPolarHBondContact O-CG 3.49Å; K364-L368 PolarHBondContact O-N 3.14Å; Q365-L368 PolarHBondContact O-N 3.03Å; L368-L370 VanDerWaalsContact C-N 3.26Å; L368-L370 PolarHBondContact O-N 3.21Å; L368-V371 WeakPolarHBondContact O-CB 3.25Å; L368-V371 PolarHBondContact O-N 3.39Å; L368-V371 VanDerWaalsContact O-N 3.12Å; L368-E372 PolarHBondContact O-N 3.18Å |
| 369 | K | 97.9 | Very high | 96.5 | Very high | 107 Ų | 107 | 61.7 Ų | 61.7 | 47% | 0.465 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64 | -29 | 175.7 | -72.1 | -72.9 | 166.4 | -157.6 | 0 | 113.1 | Q365 M366 L367 E372 L373 | Q365-K369 VanDerWaalsContact O-CG 3.3Å; Q365-K369 WeakPolarHBondContact O-CG 3.48Å; Q365-K369 PolarHBondContact O-N 2.77Å; M366-K369 WeakPolarHBondContact O-CB 3.5Å; M366-K369 PolarHBondContact O-N 2.99Å; L367-K369 VanDerWaalsContact C-N 3.28Å; L367-K369 PolarHBondContact O-N 3.42Å; K369-E372 WeakPolarHBondContact CD-OE2 3.1Å; K369-E372 IonicContact NZ-OE1 3.12Å; K369-E372 PolarHBondContact NZ-OE1 2.92Å; K369-E372 IonicContact NZ-OE2 2.69Å; K369-E372 PolarHBondContact NZ-OE2 2.99Å; K369-L373 VanDerWaalsContact O-CB 3.24Å; K369-L373 WeakPolarHBondContact O-CB 3.42Å; K369-L373 PolarHBondContact O-N 3.45Å |
| 370 | L | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.5 | -40.2 | 171.3 | -69.1 | 173.3 | 0 | 0 | 0 | 112.4 | V321 L324 K325 M366 L367 L368 E372 L373 R374 | V321-L370 HydrophobicContact CB-CD1 3.9Å; V321-L370 HydrophobicContact CG1-CD1 3.98Å; V321-L370 HydrophobicContact CG1-CD2 4.16Å; V321-L370 HydrophobicContact CG1-CG 4.17Å; V321-L370 HydrophobicContact CG2-CD1 3.57Å; V321-L370 HydrophobicContact CG2-CG 4.44Å; L324-L370 HydrophobicContact CB-CD1 4.46Å; L324-L370 HydrophobicContact CB-CD2 4.43Å; L324-L370 HydrophobicContact CD1-CD1 4.12Å; K325-L370 HydrophobicContact CG-CD2 3.79Å; M366-L370 PolarHBondContact O-N 3.46Å; M366-L370 VanDerWaalsContact O-N 3.1Å; L367-L370 HydrophobicContact CD2-CD1 4.33Å; L367-L370 WeakPolarHBondContact O-CB 3.37Å; L367-L370 PolarHBondContact O-N 3.04Å; L368-L370 VanDerWaalsContact C-N 3.26Å; L368-L370 PolarHBondContact O-N 3.21Å; L370-E372 VanDerWaalsContact C-N 3.31Å; L370-L373 HydrophobicContact CD2-CD2 4.5Å; L370-L373 PolarHBondContact O-N 3.25Å; L370-R374 WeakPolarHBondContact O-CB 3.5Å; L370-R374 PolarHBondContact O-N 3.49Å |
| 371 | V | 97.7 | Very high | 95.3 | Very high | 36 Ų | 36 | 69.6 Ų | 69.6 | 22% | 0.218 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | 175.7 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | I347 I350 L367 L368 R374 S375 | I347-V371 HydrophobicContact CD1-CG2 4.24Å; I347-V371 HydrophobicContact CG2-CG1 4.31Å; I347-V371 HydrophobicContact CG2-CG2 4.35Å; I350-V371 HydrophobicContact CG2-CG2 3.86Å; L367-V371 PolarHBondContact O-N 3.07Å; L368-V371 WeakPolarHBondContact O-CB 3.25Å; L368-V371 PolarHBondContact O-N 3.39Å; L368-V371 VanDerWaalsContact O-N 3.12Å; V371-R374 PolarHBondContact O-N 3.34Å; V371-S375 WeakPolarHBondContact O-CB 3.49Å; V371-S375 PolarHBondContact O-N 2.96Å |
| 372 | E | 96.9 | Very high | 93.3 | Very high | 85 Ų | 85 | 65.7 Ų | 65.7 | 40% | 0.397 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 172.6 | -69.6 | 174.7 | -149.5 | 0 | 0 | 111.9 | L368 K369 L370 R374 S375 S376 | L368-E372 PolarHBondContact O-N 3.18Å; K369-E372 WeakPolarHBondContact CD-OE2 3.1Å; K369-E372 IonicContact NZ-OE1 3.12Å; K369-E372 PolarHBondContact NZ-OE1 2.92Å; K369-E372 IonicContact NZ-OE2 2.69Å; K369-E372 PolarHBondContact NZ-OE2 2.99Å; L370-E372 VanDerWaalsContact C-N 3.31Å; E372-R374 PolarHBondContact O-N 3.02Å; E372-S375 WeakPolarHBondContact CA-OG 3.49Å; E372-S375 PolarHBondContact O-N 3.01Å; E372-S375 PolarHBondContact O-OG 3.33Å; E372-S376 WeakPolarHBondContact O-CB 3.42Å; E372-S376 PolarHBondContact O-N 3.48Å; E372-S376 PolarHBondContact O-OG 3.49Å |
| 373 | L | 96.7 | Very high | 91 | Very high | 53 Ų | 53 | 65.4 Ų | 65.4 | 28% | 0.277 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 179.2 | -179.6 | 62.2 | 0 | 0 | 0 | 111.1 | K325 K369 L370 S376 N377 W378 | K325-L373 HydrophobicContact CG-CD2 4.46Å; K369-L373 VanDerWaalsContact O-CB 3.24Å; K369-L373 WeakPolarHBondContact O-CB 3.42Å; K369-L373 PolarHBondContact O-N 3.45Å; L370-L373 HydrophobicContact CD2-CD2 4.5Å; L370-L373 PolarHBondContact O-N 3.25Å; L373-S376 CarbonylContact O-C 3.57Å; L373-S376 PolarHBondContact O-N 2.96Å; L373-N377 PolarHBondContact O-N 3.41Å; L373-W378 HydrophobicContact CD2-CE3 3.89Å; L373-W378 HydrophobicContact CD2-CZ3 4.24Å; L373-W378 HydrophobicContact CG-CE3 3.97Å; L373-W378 VanDerWaalsContact O-CA 3.26Å; L373-W378 WeakPolarHBondContact O-CA 3.44Å; L373-W378 PolarHBondContact O-N 3Å |
| 374 | R | 95.7 | Very high | 88.2 | Confident | 51 Ų | 51 | 70.4 Ų | 70.4 | 19% | 0.192 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.8 | -46 | 174.5 | -174.9 | -168.9 | 171.6 | -117 | 3.1 | 111.6 | E332 M343 E344 I347 L370 V371 E372 S376 N377 W378 | E332-R374 IonicContact OE1-NE 2.68Å; E332-R374 IonicContact OE1-NH2 2.68Å; E332-R374 WeakPolarHBondContact OE2-CG 3.5Å; E332-R374 IonicContact OE2-NE 2.75Å; E332-R374 PolarHBondContact OE2-NE 2.81Å; M343-R374 VanDerWaalsContact CG-NE 3.28Å; E344-R374 IonicContact OE1-CZ 3.24Å; E344-R374 IonicContact OE1-NH2 3.48Å; E344-R374 PolarHBondContact OE1-NH2 3.18Å; I347-R374 HydrophobicContact CD1-CB 4.17Å; I347-R374 HydrophobicContact CD1-CG 4.39Å; L370-R374 WeakPolarHBondContact O-CB 3.5Å; L370-R374 PolarHBondContact O-N 3.49Å; V371-R374 PolarHBondContact O-N 3.34Å; E372-R374 PolarHBondContact O-N 3.02Å; R374-S376 PolarHBondContact O-N 2.69Å; R374-N377 WeakPolarHBondContact O-CA 3.12Å; R374-N377 PolarHBondContact O-N 2.66Å; R374-W378 HydrophobicContact CB-CH2 4.34Å; R374-W378 HydrophobicContact CB-CZ2 3.92Å; R374-W378 HydrophobicContact CG-CZ2 3.82Å |
| 375 | S | 94.8 | Very high | 85.7 | Confident | 98 Ų | 98 | 74 Ų | 74 | 69% | 0.685 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.8 | -27.1 | 178.1 | 75.3 | 0 | 0 | 0 | 0 | 112.8 | V371 E372 N377 | V371-S375 WeakPolarHBondContact O-CB 3.49Å; V371-S375 PolarHBondContact O-N 2.96Å; E372-S375 WeakPolarHBondContact CA-OG 3.49Å; E372-S375 PolarHBondContact O-N 3.01Å; E372-S375 PolarHBondContact O-OG 3.33Å; S375-N377 PolarHBondContact O-N 2.81Å |
| 376 | S | 94.5 | Very high | 83.1 | Confident | 75 Ų | 75 | 74.6 Ų | 74.6 | 52% | 0.524 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 25.9 | 174 | -51.7 | 0 | 0 | 0 | 0 | 112.5 | E372 L373 R374 W378 G379 | E372-S376 WeakPolarHBondContact O-CB 3.42Å; E372-S376 PolarHBondContact O-N 3.48Å; E372-S376 PolarHBondContact O-OG 3.49Å; L373-S376 CarbonylContact O-C 3.57Å; L373-S376 PolarHBondContact O-N 2.96Å; R374-S376 PolarHBondContact O-N 2.69Å; S376-W378 VanDerWaalsContact C-N 3.26Å; S376-W378 PolarHBondContact O-N 2.69Å; S376-G379 PolarHBondContact O-N 3.4Å |
| 377 | N | 93.3 | Very high | 80.6 | Confident | 42 Ų | 42 | 82.1 Ų | 82.1 | 23% | 0.225 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | 51.7 | 43.2 | -179.4 | -168.9 | 45.8 | 0 | 0 | 0 | 113.1 | L373 R374 S375 G379 R380 | L373-N377 PolarHBondContact O-N 3.41Å; R374-N377 WeakPolarHBondContact O-CA 3.12Å; R374-N377 PolarHBondContact O-N 2.66Å; S375-N377 PolarHBondContact O-N 2.81Å; N377-G379 PolarHBondContact O-N 3.47Å; N377-G379 VanDerWaalsContact O-N 3.15Å; N377-R380 PolarHBondContact ND2-O 2.99Å; N377-R380 WeakPolarHBondContact O-CB 3.46Å; N377-R380 PolarHBondContact O-N 2.93Å |
| 378 | W | 95.9 | Very high | 78.4 | Confident | 29 Ų | 29 | 90.7 Ų | 90.7 | 11% | 0.11 | 49% | 0.491 | C | S | . | . | G | 310 helix | trans | 58.4 | 24.2 | -177.1 | -56.1 | 92.6 | 0 | 0 | 0 | 114.8 | L324 S329 E332 M343 L373 R374 S376 R380 | L324-W378 HydrophobicContact CB-CH2 4.5Å; L324-W378 WeakPolarHBondContact O-CZ3 3.41Å; S329-W378 VanDerWaalsContact CB-CG 3.43Å; E332-W378 PolarHBondContact OE2-NE1 3.09Å; M343-W378 HydrophobicContact CE-CH2 4.29Å; M343-W378 HydrophobicContact CE-CZ2 3.63Å; M343-W378 HydrophobicContact SD-CH2 4.43Å; M343-W378 HydrophobicContact SD-CZ2 3.91Å; L373-W378 HydrophobicContact CD2-CE3 3.89Å; L373-W378 HydrophobicContact CD2-CZ3 4.24Å; L373-W378 HydrophobicContact CG-CE3 3.97Å; L373-W378 VanDerWaalsContact O-CA 3.26Å; L373-W378 WeakPolarHBondContact O-CA 3.44Å; L373-W378 PolarHBondContact O-N 3Å; R374-W378 HydrophobicContact CB-CH2 4.34Å; R374-W378 HydrophobicContact CB-CZ2 3.92Å; R374-W378 HydrophobicContact CG-CZ2 3.82Å; S376-W378 VanDerWaalsContact C-N 3.26Å; S376-W378 PolarHBondContact O-N 2.69Å; W378-R380 PolarHBondContact O-N 2.91Å |
| 379 | G | 89.6 | Confident | 76.5 | Confident | 55 Ų | 55 | 94.9 Ų | 94.9 | 57% | 0.567 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | 76.9 | 5.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | S376 N377 V381 | S376-G379 PolarHBondContact O-N 3.4Å; N377-G379 PolarHBondContact O-N 3.47Å; N377-G379 VanDerWaalsContact O-N 3.15Å; G379-V381 PolarHBondContact O-N 3.03Å |
| 380 | R | 90 | Very high | 74.7 | Confident | 94 Ų | 94 | 91.9 Ų | 91.9 | 36% | 0.355 | 50% | 0.504 | S | S | . | . | trans | -74.8 | 111.2 | 173.2 | -59.7 | -179 | -170.1 | 170.4 | -0.3 | 109 | S329 D333 N377 W378 H382 | S329-R380 VanDerWaalsContact C-NH2 3.26Å; S329-R380 PolarHBondContact O-NH2 3.3Å; S329-R380 PolarHBondContact OG-NH2 2.95Å; D333-R380 IonicContact OD1-NH1 3.42Å; D333-R380 PolarHBondContact OD1-NH1 3.26Å; D333-R380 IonicContact OD2-CZ 2.73Å; D333-R380 VanDerWaalsContact OD2-CZ 3.27Å; D333-R380 IonicContact OD2-NH1 3.06Å; D333-R380 PolarHBondContact OD2-NH1 2.98Å; D333-R380 IonicContact OD2-NH2 3.71Å; D333-R380 PolarHBondContact OD2-NH2 3.33Å; N377-R380 PolarHBondContact ND2-O 2.99Å; N377-R380 WeakPolarHBondContact O-CB 3.46Å; N377-R380 PolarHBondContact O-N 2.93Å; W378-R380 PolarHBondContact O-N 2.91Å; R380-H382 PolarHBondContact O-N 3.06Å | ||
| 381 | V | 77.6 | Confident | 73.3 | Confident | 137 Ų | 137 | 94.2 Ų | 94.2 | 83% | 0.83 | 52% | 0.518 | S | S | * | . | trans | -59.4 | 129 | 170.5 | -174.1 | 0 | 0 | 0 | 0 | 107.6 | G379 A383 | G379-V381 PolarHBondContact O-N 3.03Å; V381-A383 PolarHBondContact O-N 3.03Å | ||
| 382 | H | 54.8 | Low | 71.7 | Confident | 136 Ų | 136 | 96.1 Ų | 96.1 | 63% | 0.63 | 53% | 0.531 | S | S | * | . | trans | -59.9 | 110.3 | 167.8 | -70 | -1.5 | 0 | 0 | 0 | 107.1 | R380 T384 | R380-H382 PolarHBondContact O-N 3.06Å; H382-T384 PolarHBondContact O-N 3.08Å; H382-T384 PolarHBondContact O-OG1 3.09Å | ||
| 383 | A | 48.8 | Very low | 70.1 | Confident | 87 Ų | 87 | 101.2 Ų | 101.2 | 72% | 0.719 | 56% | 0.555 | S | S | * | * | trans | -65.8 | 76.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 106 | V381 S385 | V381-A383 PolarHBondContact O-N 3.03Å; A383-S385 PolarHBondContact O-N 2.7Å | ||
| 384 | T | 39.8 | Very low | 68.9 | Low | 106 Ų | 106 | 102.4 Ų | 102.4 | 65% | 0.65 | 56% | 0.562 | S | S | * | * | trans | -50.2 | 119.3 | 161.9 | -8.1 | 0 | 0 | 0 | 0 | 104.6 | H382 T386 | H382-T384 PolarHBondContact O-N 3.08Å; H382-T384 PolarHBondContact O-OG1 3.09Å; T384-T386 PolarHBondContact O-N 3.21Å | ||
| 385 | S | 45.1 | Very low | 67.8 | Low | 126 Ų | 126 | 102.1 Ų | 102.1 | 88% | 0.881 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -68.2 | 39.5 | -172.6 | -44.6 | 0 | 0 | 0 | 0 | 113.2 | A383 | A383-S385 PolarHBondContact O-N 2.7Š|
| 386 | T | 43 | Very low | 66.5 | Low | 99 Ų | 99 | 103.3 Ų | 103.3 | 61% | 0.607 | 57% | 0.57 | S | S | * | * | trans | -126 | 64 | 172.7 | 53.5 | 0 | 0 | 0 | 0 | 107.8 | T384 R388 | T384-T386 PolarHBondContact O-N 3.21Å; T386-R388 PolarHBondContact O-N 2.94Å | ||
| 387 | Y | 45.8 | Very low | 65.3 | Low | 235 Ų | 235 | 104.3 Ų | 104.3 | 92% | 0.922 | 57% | 0.569 | S | S | * | * | trans | -63.8 | 80.8 | 136 | -90.2 | -94.6 | 0 | 0 | 0 | 105.4 | E389 | Y387-E389 PolarHBondContact O-N 3.48Š| ||
| 388 | R | 53.7 | Low | 64.3 | Low | 179 Ų | 179 | 104.9 Ų | 104.9 | 68% | 0.675 | 57% | 0.569 | S | S | * | * | trans | -79.8 | 105.4 | 154.1 | -88.4 | -175.1 | 174.7 | -166.2 | 0.8 | 103 | T386 A390 N394 | T386-R388 PolarHBondContact O-N 2.94Å; R388-A390 PolarHBondContact O-N 2.76Å; R388-A390 VanDerWaalsContact O-N 3.11Å; R388-N394 PolarHBondContact NH1-OD1 2.93Å | ||
| 389 | E | 56.4 | Low | 62.8 | Low | 162 Ų | 162 | 108.3 Ų | 108.3 | 76% | 0.757 | 58% | 0.584 | S | S | * | * | trans | -45.2 | 122.1 | 164.5 | -152.3 | 158.1 | -141.9 | 0 | 0 | 106.6 | Y387 T391 | Y387-E389 PolarHBondContact O-N 3.48Å; E389-T391 PolarHBondContact O-N 3.42Å; E389-T391 VanDerWaalsContact O-N 3.07Å | ||
| 390 | A | 60.5 | Low | 61.8 | Low | 43 Ų | 43 | 113.3 Ų | 113.3 | 36% | 0.355 | 60% | 0.595 | S | S | . | * | trans | -61.4 | 118.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 104.5 | R388 D395 Y398 | R388-A390 PolarHBondContact O-N 2.76Å; R388-A390 VanDerWaalsContact O-N 3.11Å; A390-D395 HydrophobicContact CB-CB 4.09Å; A390-Y398 VanDerWaalsContact C-CD2 3.48Å; A390-Y398 HydrophobicContact CB-CD2 3.77Å; A390-Y398 HydrophobicContact CB-CE2 4.28Å; A390-Y398 VanDerWaalsContact O-CD2 3.23Å; A390-Y398 WeakPolarHBondContact O-CD2 3.41Å; A390-Y398 WeakPolarHBondContact O-CE2 3.11Å | ||
| 391 | T | 68.8 | Low | 60.8 | Low | 50 Ų | 50 | 114.3 Ų | 114.3 | 31% | 0.307 | 61% | 0.607 | S | S | . | * | trans | -112.7 | 156.4 | 173.6 | 59.5 | 0 | 0 | 0 | 0 | 107.5 | E389 E393 N394 D395 | E389-T391 PolarHBondContact O-N 3.42Å; E389-T391 VanDerWaalsContact O-N 3.07Å; T391-E393 PolarHBondContact O-N 2.73Å; T391-N394 PolarHBondContact O-N 3.07Å; T391-N394 WeakPolarHBondContact OG1-CB 3.39Å; T391-N394 PolarHBondContact OG1-N 3.45Å; T391-D395 PolarHBondContact O-N 3.19Å | ||
| 392 | P | 64.6 | Low | 60.5 | Low | 76 Ų | 76 | 110.1 Ų | 110.1 | 49% | 0.494 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -51.3 | -25.5 | 174 | -25.5 | 31.2 | 0 | 0 | 0 | 113.4 | Y398 F399 | P392-Y398 HydrophobicContact CB-CD1 4.15Å; P392-Y398 HydrophobicContact CG-CD1 3.62Å; P392-Y398 HydrophobicContact CG-CE1 3.59Å; P392-Y398 HydrophobicContact CG-CG 4.37Å; P392-F399 HydrophobicContact CB-CE2 4.14Å; P392-F399 HydrophobicContact CB-CZ 4.09Å; P392-F399 HydrophobicContact CG-CZ 4.41Å |
| 393 | E | 63 | Low | 61.4 | Low | 192 Ų | 192 | 107.3 Ų | 107.3 | 90% | 0.897 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -24.7 | -178.9 | -55.5 | -177.2 | -179.5 | 0 | 0 | 113.9 | T391 | T391-E393 PolarHBondContact O-N 2.73Š|
| 394 | N | 72.1 | Confident | 62.9 | Low | 79 Ų | 79 | 106.6 Ų | 106.6 | 42% | 0.422 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.5 | -12.3 | -169.1 | -175.2 | 56 | 0 | 0 | 0 | 113.6 | R388 T391 | R388-N394 PolarHBondContact NH1-OD1 2.93Å; T391-N394 PolarHBondContact O-N 3.07Å; T391-N394 WeakPolarHBondContact OG1-CB 3.39Å; T391-N394 PolarHBondContact OG1-N 3.45Å |
| 395 | D | 72.3 | Confident | 64.9 | Low | 44 Ų | 44 | 104.3 Ų | 104.3 | 24% | 0.235 | 54% | 0.54 | C | S | . | . | trans | -129.2 | 113.9 | 172.5 | -173 | -4.2 | 0 | 0 | 0 | 111.9 | A390 T391 N397 Y398 | A390-D395 HydrophobicContact CB-CB 4.09Å; T391-D395 PolarHBondContact O-N 3.19Å; D395-N397 PolarHBondContact O-N 3.32Å; D395-N397 VanDerWaalsContact O-N 3.16Å; D395-N397 PolarHBondContact OD1-N 3.32Å; D395-Y398 VanDerWaalsContact O-CB 3.22Å; D395-Y398 WeakPolarHBondContact O-CB 3.38Å; D395-Y398 PolarHBondContact O-N 3.44Å | ||
| 396 | P | 67.6 | Low | 66.8 | Low | 124 Ų | 124 | 105 Ų | 105 | 81% | 0.805 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.6 | 175.2 | -19.8 | 31.6 | 0 | 0 | 0 | 114.3 | ||
| 397 | N | 69.6 | Low | 68.5 | Low | 95 Ų | 95 | 101.5 Ų | 101.5 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 9.5 | 178.4 | -73 | -13.5 | 0 | 0 | 0 | 112.7 | D395 F399 M400 N401 | D395-N397 PolarHBondContact O-N 3.32Å; D395-N397 VanDerWaalsContact O-N 3.16Å; D395-N397 PolarHBondContact OD1-N 3.32Å; N397-F399 VanDerWaalsContact C-N 3.27Å; N397-F399 PolarHBondContact O-N 3.26Å; N397-M400 WeakPolarHBondContact O-CB 3.42Å; N397-M400 PolarHBondContact O-N 3.44Å; N397-N401 PolarHBondContact O-N 3.38Å; N397-N401 PolarHBondContact O-ND2 2.92Å |
| 398 | Y | 71.8 | Confident | 69.9 | Low | 55 Ų | 55 | 93.7 Ų | 93.7 | 22% | 0.216 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -47.6 | -50.7 | 179.7 | -179.5 | -101.9 | 0 | 0 | 0 | 112 | A390 P392 D395 M400 N401 E402 | A390-Y398 VanDerWaalsContact C-CD2 3.48Å; A390-Y398 HydrophobicContact CB-CD2 3.77Å; A390-Y398 HydrophobicContact CB-CE2 4.28Å; A390-Y398 VanDerWaalsContact O-CD2 3.23Å; A390-Y398 WeakPolarHBondContact O-CD2 3.41Å; A390-Y398 WeakPolarHBondContact O-CE2 3.11Å; P392-Y398 HydrophobicContact CB-CD1 4.15Å; P392-Y398 HydrophobicContact CG-CD1 3.62Å; P392-Y398 HydrophobicContact CG-CE1 3.59Å; P392-Y398 HydrophobicContact CG-CG 4.37Å; D395-Y398 VanDerWaalsContact O-CB 3.22Å; D395-Y398 WeakPolarHBondContact O-CB 3.38Å; D395-Y398 PolarHBondContact O-N 3.44Å; Y398-M400 VanDerWaalsContact C-N 3.27Å; Y398-M400 PolarHBondContact O-N 3.11Å; Y398-N401 PolarHBondContact O-N 3.48Å; Y398-N401 VanDerWaalsContact O-N 3.15Å; Y398-E402 HydrophobicContact CD1-CG 4.49Å; Y398-E402 HydrophobicContact CE1-CG 4.07Å; Y398-E402 PolarHBondContact O-N 3.44Å; Y398-E402 PolarHBondContact OH-OE1 3.47Å |
| 399 | F | 64.6 | Low | 71.1 | Confident | 100 Ų | 100 | 92 Ų | 92 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.5 | -20.3 | 179.7 | -64.1 | -79.4 | 0 | 0 | 0 | 114.9 | P392 N397 A415 | P392-F399 HydrophobicContact CB-CE2 4.14Å; P392-F399 HydrophobicContact CB-CZ 4.09Å; P392-F399 HydrophobicContact CG-CZ 4.41Å; N397-F399 VanDerWaalsContact C-N 3.27Å; N397-F399 PolarHBondContact O-N 3.26Å; F399-A415 HydrophobicContact CD1-CB 3.83Å; F399-A415 HydrophobicContact CE1-CB 4.25Å; F399-A415 WeakPolarHBondContact CE1-O 3.22Å |
| 400 | M | 69.1 | Low | 72.2 | Confident | 160 Ų | 160 | 86.6 Ų | 86.6 | 79% | 0.788 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -84.1 | -16.7 | 177.2 | -68.2 | -70.8 | 176 | 0 | 0 | 112.5 | N397 Y398 | N397-M400 WeakPolarHBondContact O-CB 3.42Å; N397-M400 PolarHBondContact O-N 3.44Å; Y398-M400 VanDerWaalsContact C-N 3.27Å; Y398-M400 PolarHBondContact O-N 3.11Å |
| 401 | N | 68.4 | Low | 73.2 | Confident | 115 Ų | 115 | 88.2 Ų | 88.2 | 62% | 0.615 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -104.2 | -8.5 | -177.4 | -61.3 | -29.3 | 0 | 0 | 0 | 112.5 | N397 Y398 | N397-N401 PolarHBondContact O-N 3.38Å; N397-N401 PolarHBondContact O-ND2 2.92Å; Y398-N401 PolarHBondContact O-N 3.48Å; Y398-N401 VanDerWaalsContact O-N 3.15Å |
| 402 | E | 71.6 | Confident | 73.9 | Confident | 50 Ų | 50 | 89.2 Ų | 89.2 | 23% | 0.234 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -69 | 137.7 | 172.2 | -79.1 | -82.8 | 152.3 | 0 | 0 | 110.4 | Y398 A415 Y420 | Y398-E402 HydrophobicContact CD1-CG 4.49Å; Y398-E402 HydrophobicContact CE1-CG 4.07Å; Y398-E402 PolarHBondContact O-N 3.44Å; Y398-E402 PolarHBondContact OH-OE1 3.47Å; E402-A415 HydrophobicContact CB-CB 4.01Å; E402-A415 HydrophobicContact CG-CB 3.86Å; E402-Y420 PolarHBondContact OE2-OH 3.33Å |
| 403 | P | 73.6 | Confident | 74.8 | Confident | 76 Ų | 76 | 85.6 Ų | 85.6 | 49% | 0.494 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 142.2 | 175.5 | -20.3 | 31.3 | 0 | 0 | 0 | 112.1 | F405 | P403-F405 HydrophobicContact CB-CD2 4.46Å; P403-F405 HydrophobicContact CB-CE2 3.82Å; P403-F405 HydrophobicContact CB-CZ 3.94Å; P403-F405 HydrophobicContact CG-CE2 4.31Å; P403-F405 HydrophobicContact CG-CZ 4.27Å; P403-F405 VanDerWaalsContact O-CD2 3.32Å; P403-F405 WeakPolarHBondContact O-CD2 3.27Å; P403-F405 WeakPolarHBondContact O-CE2 3.39Å |
| 404 | T | 79.8 | Confident | 75.7 | Confident | 73 Ų | 73 | 78.4 Ų | 78.4 | 45% | 0.448 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -81 | 120.3 | 167 | -56.5 | 0 | 0 | 0 | 0 | 108.8 | Y406 P412 T414 | T404-Y406 HydrophobicContact CG2-CE2 4.48Å; T404-P412 HydrophobicContact CG2-CB 3.56Å; T404-T414 HydrophobicContact CG2-CG2 3.91Å |
| 405 | F | 82.2 | Confident | 76 | Confident | 57 Ų | 57 | 75.6 Ų | 75.6 | 25% | 0.25 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 160.7 | 175.1 | -66.8 | -86.3 | 0 | 0 | 0 | 110.1 | P403 P412 F413 Y420 Y424 L427 | P403-F405 HydrophobicContact CB-CD2 4.46Å; P403-F405 HydrophobicContact CB-CE2 3.82Å; P403-F405 HydrophobicContact CB-CZ 3.94Å; P403-F405 HydrophobicContact CG-CE2 4.31Å; P403-F405 HydrophobicContact CG-CZ 4.27Å; P403-F405 VanDerWaalsContact O-CD2 3.32Å; P403-F405 WeakPolarHBondContact O-CD2 3.27Å; P403-F405 WeakPolarHBondContact O-CE2 3.39Å; F405-P412 CarbonylContact O-C 3.57Å; F405-P412 VanDerWaalsContact O-CA 3.24Å; F405-P412 WeakPolarHBondContact O-CA 3.37Å; F405-F413 HydrophobicContact CB-CD1 3.99Å; F405-F413 HydrophobicContact CB-CE1 3.4Å; F405-F413 HydrophobicContact CB-CE2 4.06Å; F405-F413 HydrophobicContact CB-CZ 3.43Å; F405-F413 VanDerWaalsContact CB-CZ 3.43Å; F405-F413 HydrophobicContact CG-CZ 4.32Å; F405-F413 PolarHBondContact N-O 3.15Å; F405-F413 WeakPolarHBondContact O-CD1 3.48Å; F405-F413 PolarHBondContact O-N 3.46Å; F405-F413 VanDerWaalsContact O-O 3.12Å; F405-Y420 AromaticContact CD2-CE2 3.94Å; F405-Y420 HydrophobicContact CD2-CE2 3.94Å; F405-Y420 HydrophobicContact CE2-CE2 4.4Å; F405-Y420 WeakPolarHBondContact CE2-OH 3.3Å; F405-Y424 HydrophobicContact CD1-CE2 4.38Å; F405-Y424 HydrophobicContact CD2-CD2 4.26Å; F405-Y424 HydrophobicContact CD2-CE2 4.42Å; F405-Y424 HydrophobicContact CE1-CD2 4.43Å; F405-Y424 AromaticContact CE1-CE2 3.87Å; F405-Y424 HydrophobicContact CE1-CE2 3.87Å; F405-Y424 HydrophobicContact CE2-CD2 4.16Å; F405-Y424 AromaticContact CE2-CE2 3.91Å; F405-Y424 HydrophobicContact CE2-CE2 3.91Å; F405-Y424 HydrophobicContact CG-CD2 4.43Å; F405-Y424 HydrophobicContact CZ-CD2 4.25Å; F405-Y424 AromaticContact CZ-CE2 3.61Å; F405-Y424 HydrophobicContact CZ-CE2 3.61Å; F405-L427 HydrophobicContact CB-CD1 4.11Å; F405-L427 HydrophobicContact CD1-CD1 4.27Å |
| 406 | Y | 83.9 | Confident | 76.2 | Confident | 141 Ų | 141 | 77 Ų | 77 | 55% | 0.553 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136.3 | 178.7 | -67.5 | -95.3 | 0 | 0 | 0 | 109.3 | T404 V411 P412 | T404-Y406 HydrophobicContact CG2-CE2 4.48Å; Y406-V411 WeakPolarHBondContact CA-O 3.36Å; Y406-P412 HydrophobicContact CD1-CB 3.93Å; Y406-P412 HydrophobicContact CE1-CB 3.64Å; Y406-P412 HydrophobicContact CE1-CG 4.15Å |
| 407 | T | 79.1 | Confident | 76.8 | Confident | 26 Ų | 26 | 73.9 Ų | 73.9 | 16% | 0.16 | 42% | 0.416 | C | S | . | . | trans | -68.8 | 169.2 | 170.8 | 65.3 | 0 | 0 | 0 | 0 | 110.6 | D409 G410 V411 F413 K423 | T407-D409 PolarHBondContact O-N 2.93Å; T407-G410 WeakPolarHBondContact O-CA 3.46Å; T407-G410 PolarHBondContact O-N 3.14Å; T407-V411 PolarHBondContact N-O 3.41Å; T407-V411 WeakPolarHBondContact OG1-CB 3.41Å; T407-V411 PolarHBondContact OG1-N 3.02Å; T407-V411 PolarHBondContact OG1-O 3.33Å; T407-F413 HydrophobicContact CG2-CD1 3.8Å; T407-F413 HydrophobicContact CG2-CE1 4.15Å; T407-K423 HydrophobicContact CG2-CD 3.91Å; T407-K423 HydrophobicContact CG2-CG 4.38Å | ||
| 408 | S | 74.6 | Confident | 77.3 | Confident | 71 Ų | 71 | 76.1 Ų | 76.1 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -30.5 | 172.7 | 44.1 | 0 | 0 | 0 | 0 | 113.7 | G410 | S408-G410 VanDerWaalsContact C-N 3.26Å; S408-G410 PolarHBondContact O-N 3.29Å |
| 409 | D | 79.9 | Confident | 77.8 | Confident | 143 Ų | 143 | 76.4 Ų | 76.4 | 77% | 0.765 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 5.6 | 175.5 | -61.8 | -43.1 | 0 | 0 | 0 | 113.6 | T407 V411 | T407-D409 PolarHBondContact O-N 2.93Å; D409-V411 HydrophobicContact CB-CG2 4.37Å |
| 410 | G | 78.3 | Confident | 78.6 | Confident | 48 Ų | 48 | 72.9 Ų | 72.9 | 50% | 0.495 | 42% | 0.424 | S | S | . | . | S | Bend | trans | 76 | 18.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T407 S408 | T407-G410 WeakPolarHBondContact O-CA 3.46Å; T407-G410 PolarHBondContact O-N 3.14Å; S408-G410 VanDerWaalsContact C-N 3.26Å; S408-G410 PolarHBondContact O-N 3.29Å |
| 411 | V | 83.1 | Confident | 79 | Confident | 77 Ų | 77 | 71.7 Ų | 71.7 | 47% | 0.467 | 42% | 0.417 | S | S | . | . | trans | -87.4 | 121.3 | 179.2 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | Y406 T407 D409 | Y406-V411 WeakPolarHBondContact CA-O 3.36Å; T407-V411 PolarHBondContact N-O 3.41Å; T407-V411 WeakPolarHBondContact OG1-CB 3.41Å; T407-V411 PolarHBondContact OG1-N 3.02Å; T407-V411 PolarHBondContact OG1-O 3.33Å; D409-V411 HydrophobicContact CB-CG2 4.37Å | ||
| 412 | P | 83.4 | Confident | 79.7 | Confident | 71 Ų | 71 | 73.6 Ų | 73.6 | 46% | 0.461 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 136.9 | 176.6 | 26.3 | -31.9 | 0 | 0 | 0 | 110.6 | T404 F405 Y406 | T404-P412 HydrophobicContact CG2-CB 3.56Å; F405-P412 CarbonylContact O-C 3.57Å; F405-P412 VanDerWaalsContact O-CA 3.24Å; F405-P412 WeakPolarHBondContact O-CA 3.37Å; Y406-P412 HydrophobicContact CD1-CB 3.93Å; Y406-P412 HydrophobicContact CE1-CB 3.64Å; Y406-P412 HydrophobicContact CE1-CG 4.15Å |
| 413 | F | 82.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 151.6 | 170.3 | 74.1 | -79.5 | 0 | 0 | 0 | 109.5 | F405 T407 D417 Y420 K423 L427 | F405-F413 HydrophobicContact CB-CD1 3.99Å; F405-F413 HydrophobicContact CB-CE1 3.4Å; F405-F413 HydrophobicContact CB-CE2 4.06Å; F405-F413 HydrophobicContact CB-CZ 3.43Å; F405-F413 VanDerWaalsContact CB-CZ 3.43Å; F405-F413 HydrophobicContact CG-CZ 4.32Å; F405-F413 PolarHBondContact N-O 3.15Å; F405-F413 WeakPolarHBondContact O-CD1 3.48Å; F405-F413 PolarHBondContact O-N 3.46Å; F405-F413 VanDerWaalsContact O-O 3.12Å; T407-F413 HydrophobicContact CG2-CD1 3.8Å; T407-F413 HydrophobicContact CG2-CE1 4.15Å; F413-D417 WeakPolarHBondContact CA-OD2 3.47Å; F413-Y420 AromaticContact CD2-CD2 3.52Å; F413-Y420 HydrophobicContact CD2-CD2 3.52Å; F413-Y420 HydrophobicContact CD2-CE2 4.13Å; F413-Y420 HydrophobicContact CD2-CG 4.39Å; F413-Y420 AromaticContact CE2-CD2 3.62Å; F413-Y420 HydrophobicContact CE2-CD2 3.62Å; F413-Y420 AromaticContact CE2-CE2 3.92Å; F413-Y420 HydrophobicContact CE2-CE2 3.92Å; F413-Y420 HydrophobicContact CE2-CG 4.43Å; F413-K423 HydrophobicContact CB-CD 3.89Å; F413-K423 HydrophobicContact CD1-CB 4.32Å; F413-K423 HydrophobicContact CD1-CD 4.08Å; F413-K423 HydrophobicContact CD2-CB 3.72Å; F413-K423 HydrophobicContact CD2-CD 3.82Å; F413-K423 HydrophobicContact CD2-CG 4.46Å; F413-K423 HydrophobicContact CE1-CB 4.03Å; F413-K423 HydrophobicContact CE2-CB 3.43Å; F413-K423 VanDerWaalsContact CE2-CB 3.43Å; F413-K423 HydrophobicContact CE2-CD 4.39Å; F413-K423 HydrophobicContact CG-CB 4.18Å; F413-K423 HydrophobicContact CG-CD 3.67Å; F413-K423 HydrophobicContact CZ-CB 3.59Å; F413-L427 HydrophobicContact CE1-CD1 3.84Å; F413-L427 HydrophobicContact CZ-CD1 3.69Å; F413-L427 HydrophobicContact CZ-CG 4.46Å |
| 414 | T | 82.9 | Confident | 80.5 | Confident | 42 Ų | 42 | 73.4 Ų | 73.4 | 26% | 0.258 | 41% | 0.411 | S | S | . | . | trans | -136.9 | 164.6 | -169.8 | 62.3 | 0 | 0 | 0 | 0 | 110.2 | T404 A416 D417 Y420 | T404-T414 HydrophobicContact CG2-CG2 3.91Å; T414-A416 PolarHBondContact O-N 3.36Å; T414-D417 PolarHBondContact N-OD2 3.28Å; T414-D417 WeakPolarHBondContact O-CB 3.46Å; T414-D417 PolarHBondContact O-N 3.25Å; T414-D417 PolarHBondContact OG1-OD2 3.06Å; T414-Y420 WeakPolarHBondContact O-CB 3.23Å; T414-Y420 WeakPolarHBondContact O-CD2 3.39Å | ||
| 415 | A | 78.3 | Confident | 80.6 | Confident | 19 Ų | 19 | 74 Ų | 74 | 16% | 0.157 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -10.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F399 E402 Y420 | F399-A415 HydrophobicContact CD1-CB 3.83Å; F399-A415 HydrophobicContact CE1-CB 4.25Å; F399-A415 WeakPolarHBondContact CE1-O 3.22Å; E402-A415 HydrophobicContact CB-CB 4.01Å; E402-A415 HydrophobicContact CG-CB 3.86Å; A415-Y420 HydrophobicContact CB-CD1 4.39Å; A415-Y420 HydrophobicContact CB-CD2 4.5Å; A415-Y420 HydrophobicContact CB-CE1 4.22Å; A415-Y420 HydrophobicContact CB-CE2 4.35Å; A415-Y420 VanDerWaalsContact N-CD2 3.35Å |
| 416 | A | 75.1 | Confident | 80.6 | Confident | 73 Ų | 73 | 76.7 Ų | 76.7 | 60% | 0.603 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -12.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T414 | T414-A416 PolarHBondContact O-N 3.36Š|
| 417 | D | 81.8 | Confident | 80.4 | Confident | 60 Ų | 60 | 71.6 Ų | 71.6 | 32% | 0.321 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -82.2 | 137.8 | -177.9 | -66.9 | -58.5 | 0 | 0 | 0 | 111.7 | F413 T414 D419 Y420 | F413-D417 WeakPolarHBondContact CA-OD2 3.47Å; T414-D417 PolarHBondContact N-OD2 3.28Å; T414-D417 WeakPolarHBondContact O-CB 3.46Å; T414-D417 PolarHBondContact O-N 3.25Å; T414-D417 PolarHBondContact OG1-OD2 3.06Å; D417-D419 PolarHBondContact O-N 3.22Å; D417-D419 VanDerWaalsContact O-N 3.11Å; D417-Y420 WeakPolarHBondContact O-CB 3.4Å; D417-Y420 PolarHBondContact O-N 2.85Å; D417-Y420 VanDerWaalsContact O-N 3.1Å |
| 418 | P | 80.3 | Confident | 80.4 | Confident | 141 Ų | 141 | 73.4 Ų | 73.4 | 92% | 0.916 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.8 | -177.8 | -21 | 31.3 | 0 | 0 | 0 | 114.3 | ||
| 419 | D | 80.4 | Confident | 80.5 | Confident | 61 Ų | 61 | 76 Ų | 76 | 33% | 0.326 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 12.1 | -178 | 60.2 | 4 | 0 | 0 | 0 | 112.9 | D417 Q421 E422 K423 | D417-D419 PolarHBondContact O-N 3.22Å; D417-D419 VanDerWaalsContact O-N 3.11Å; D419-Q421 VanDerWaalsContact C-N 3.34Å; D419-Q421 PolarHBondContact O-N 2.9Å; D419-E422 PolarHBondContact O-N 3.16Å; D419-K423 PolarHBondContact O-N 2.94Å; D419-K423 WeakPolarHBondContact OD1-CE 2.87Å; D419-K423 IonicContact OD1-NZ 3.88Å; D419-K423 PolarHBondContact OD1-NZ 2.94Å; D419-K423 WeakPolarHBondContact OD2-CE 3.46Å; D419-K423 IonicContact OD2-NZ 2.6Å; D419-K423 PolarHBondContact OD2-NZ 3.41Å |
| 420 | Y | 81.7 | Confident | 80 | Confident | 27 Ų | 27 | 75.4 Ų | 75.4 | 11% | 0.106 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -53.3 | -48.4 | -179.5 | 176.7 | -102.3 | 0 | 0 | 0 | 112.7 | E402 F405 F413 T414 A415 D417 E422 K423 Y424 | E402-Y420 PolarHBondContact OE2-OH 3.33Å; F405-Y420 AromaticContact CD2-CE2 3.94Å; F405-Y420 HydrophobicContact CD2-CE2 3.94Å; F405-Y420 HydrophobicContact CE2-CE2 4.4Å; F405-Y420 WeakPolarHBondContact CE2-OH 3.3Å; F413-Y420 AromaticContact CD2-CD2 3.52Å; F413-Y420 HydrophobicContact CD2-CD2 3.52Å; F413-Y420 HydrophobicContact CD2-CE2 4.13Å; F413-Y420 HydrophobicContact CD2-CG 4.39Å; F413-Y420 AromaticContact CE2-CD2 3.62Å; F413-Y420 HydrophobicContact CE2-CD2 3.62Å; F413-Y420 AromaticContact CE2-CE2 3.92Å; F413-Y420 HydrophobicContact CE2-CE2 3.92Å; F413-Y420 HydrophobicContact CE2-CG 4.43Å; T414-Y420 WeakPolarHBondContact O-CB 3.23Å; T414-Y420 WeakPolarHBondContact O-CD2 3.39Å; A415-Y420 HydrophobicContact CB-CD1 4.39Å; A415-Y420 HydrophobicContact CB-CD2 4.5Å; A415-Y420 HydrophobicContact CB-CE1 4.22Å; A415-Y420 HydrophobicContact CB-CE2 4.35Å; A415-Y420 VanDerWaalsContact N-CD2 3.35Å; D417-Y420 WeakPolarHBondContact O-CB 3.4Å; D417-Y420 PolarHBondContact O-N 2.85Å; D417-Y420 VanDerWaalsContact O-N 3.1Å; Y420-E422 VanDerWaalsContact C-N 3.31Å; Y420-E422 PolarHBondContact O-N 3.07Å; Y420-K423 PolarHBondContact O-N 3.01Å; Y420-Y424 WeakPolarHBondContact O-CB 3.42Å; Y420-Y424 PolarHBondContact O-N 2.92Å |
| 421 | Q | 78.8 | Confident | 79.1 | Confident | 135 Ų | 135 | 79.8 Ų | 79.8 | 63% | 0.631 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.9 | -39.3 | -176.3 | -164 | 72.3 | 20 | 0 | 0 | 111.9 | D419 Q425 | D419-Q421 VanDerWaalsContact C-N 3.34Å; D419-Q421 PolarHBondContact O-N 2.9Å; Q421-Q425 VanDerWaalsContact O-CB 3.27Å; Q421-Q425 WeakPolarHBondContact O-CB 3.36Å; Q421-Q425 PolarHBondContact O-N 3.19Å |
| 422 | E | 83.3 | Confident | 77.7 | Confident | 154 Ų | 154 | 82.7 Ų | 82.7 | 72% | 0.72 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -70.5 | -46.3 | -179.5 | -172.2 | 173.3 | -168.9 | 0 | 0 | 110.7 | D419 Y420 Q425 E426 | D419-E422 PolarHBondContact O-N 3.16Å; Y420-E422 VanDerWaalsContact C-N 3.31Å; Y420-E422 PolarHBondContact O-N 3.07Å; E422-Q425 PolarHBondContact O-N 3.41Å; E422-E426 PolarHBondContact O-N 3.02Å |
| 423 | K | 81.1 | Confident | 75.9 | Confident | 46 Ų | 46 | 88 Ų | 88 | 20% | 0.2 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 176.6 | -71.3 | 175.4 | 177.6 | 157.7 | 0 | 113.2 | T407 F413 D419 Y420 E426 L427 | T407-K423 HydrophobicContact CG2-CD 3.91Å; T407-K423 HydrophobicContact CG2-CG 4.38Å; F413-K423 HydrophobicContact CB-CD 3.89Å; F413-K423 HydrophobicContact CD1-CB 4.32Å; F413-K423 HydrophobicContact CD1-CD 4.08Å; F413-K423 HydrophobicContact CD2-CB 3.72Å; F413-K423 HydrophobicContact CD2-CD 3.82Å; F413-K423 HydrophobicContact CD2-CG 4.46Å; F413-K423 HydrophobicContact CE1-CB 4.03Å; F413-K423 HydrophobicContact CE2-CB 3.43Å; F413-K423 VanDerWaalsContact CE2-CB 3.43Å; F413-K423 HydrophobicContact CE2-CD 4.39Å; F413-K423 HydrophobicContact CG-CB 4.18Å; F413-K423 HydrophobicContact CG-CD 3.67Å; F413-K423 HydrophobicContact CZ-CB 3.59Å; D419-K423 PolarHBondContact O-N 2.94Å; D419-K423 WeakPolarHBondContact OD1-CE 2.87Å; D419-K423 IonicContact OD1-NZ 3.88Å; D419-K423 PolarHBondContact OD1-NZ 2.94Å; D419-K423 WeakPolarHBondContact OD2-CE 3.46Å; D419-K423 IonicContact OD2-NZ 2.6Å; D419-K423 PolarHBondContact OD2-NZ 3.41Å; Y420-K423 PolarHBondContact O-N 3.01Å; K423-E426 PolarHBondContact O-N 3.34Å; K423-L427 WeakPolarHBondContact O-CG 3.39Å; K423-L427 PolarHBondContact O-N 2.94Å; K423-L427 VanDerWaalsContact O-N 3.09Å |
| 424 | Y | 80.6 | Confident | 73.9 | Confident | 77 Ų | 77 | 96 Ų | 96 | 30% | 0.302 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.3 | -40 | 176.5 | -172.6 | -99.4 | 0 | 0 | 0 | 111 | F405 Y420 L427 L428 | F405-Y424 HydrophobicContact CD1-CE2 4.38Å; F405-Y424 HydrophobicContact CD2-CD2 4.26Å; F405-Y424 HydrophobicContact CD2-CE2 4.42Å; F405-Y424 HydrophobicContact CE1-CD2 4.43Å; F405-Y424 AromaticContact CE1-CE2 3.87Å; F405-Y424 HydrophobicContact CE1-CE2 3.87Å; F405-Y424 HydrophobicContact CE2-CD2 4.16Å; F405-Y424 AromaticContact CE2-CE2 3.91Å; F405-Y424 HydrophobicContact CE2-CE2 3.91Å; F405-Y424 HydrophobicContact CG-CD2 4.43Å; F405-Y424 HydrophobicContact CZ-CD2 4.25Å; F405-Y424 AromaticContact CZ-CE2 3.61Å; F405-Y424 HydrophobicContact CZ-CE2 3.61Å; Y420-Y424 WeakPolarHBondContact O-CB 3.42Å; Y420-Y424 PolarHBondContact O-N 2.92Å; Y424-L427 WeakPolarHBondContact O-CB 3.45Å; Y424-L427 PolarHBondContact O-N 3.39Å; Y424-L428 HydrophobicContact CD1-CD1 3.89Å; Y424-L428 HydrophobicContact CD1-CG 4.43Å; Y424-L428 HydrophobicContact CE1-CD1 3.56Å; Y424-L428 HydrophobicContact CE1-CG 4.13Å; Y424-L428 PolarHBondContact O-N 3.4Å; Y424-L428 VanDerWaalsContact O-N 3.11Å |
| 425 | Q | 81.4 | Confident | 71.9 | Confident | 86 Ų | 86 | 99.2 Ų | 99.2 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 174.4 | -161.3 | 70.4 | 29.4 | 0 | 0 | 111.8 | Q421 E422 L427 L428 E429 | Q421-Q425 VanDerWaalsContact O-CB 3.27Å; Q421-Q425 WeakPolarHBondContact O-CB 3.36Å; Q421-Q425 PolarHBondContact O-N 3.19Å; E422-Q425 PolarHBondContact O-N 3.41Å; Q425-L427 VanDerWaalsContact C-N 3.29Å; Q425-L427 PolarHBondContact O-N 3.11Å; Q425-L428 PolarHBondContact O-N 3.3Å; Q425-E429 WeakPolarHBondContact O-CB 3.24Å; Q425-E429 WeakPolarHBondContact O-CG 3.37Å; Q425-E429 PolarHBondContact O-N 2.64Å |
| 426 | E | 82 | Confident | 69.9 | Low | 112 Ų | 112 | 105 Ų | 105 | 52% | 0.523 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.6 | -35.1 | 174.4 | -172.5 | -174.8 | 177.4 | 0 | 0 | 112.5 | E422 K423 R430 | E422-E426 PolarHBondContact O-N 3.02Å; K423-E426 PolarHBondContact O-N 3.34Å; E426-R430 WeakPolarHBondContact O-CB 3.47Å; E426-R430 PolarHBondContact O-N 3.41Å |
| 427 | L | 80.4 | Confident | 68.2 | Low | 35 Ų | 35 | 112.4 Ų | 112.4 | 18% | 0.183 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -65.7 | -46.4 | 172.9 | -75.7 | -179.6 | 0 | 0 | 0 | 112 | F405 F413 K423 Y424 Q425 R430 E431 | F405-L427 HydrophobicContact CB-CD1 4.11Å; F405-L427 HydrophobicContact CD1-CD1 4.27Å; F413-L427 HydrophobicContact CE1-CD1 3.84Å; F413-L427 HydrophobicContact CZ-CD1 3.69Å; F413-L427 HydrophobicContact CZ-CG 4.46Å; K423-L427 WeakPolarHBondContact O-CG 3.39Å; K423-L427 PolarHBondContact O-N 2.94Å; K423-L427 VanDerWaalsContact O-N 3.09Å; Y424-L427 WeakPolarHBondContact O-CB 3.45Å; Y424-L427 PolarHBondContact O-N 3.39Å; Q425-L427 VanDerWaalsContact C-N 3.29Å; Q425-L427 PolarHBondContact O-N 3.11Å; L427-R430 PolarHBondContact O-N 2.99Å; L427-E431 PolarHBondContact O-N 3.41Å; L427-E431 VanDerWaalsContact O-N 3.16Å |
| 428 | L | 77.9 | Confident | 66.1 | Low | 64 Ų | 64 | 117.3 Ų | 117.3 | 34% | 0.335 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.1 | -45.9 | 178.4 | -71.9 | 172.6 | 0 | 0 | 0 | 111.9 | Y424 Q425 R430 E431 D432 | Y424-L428 HydrophobicContact CD1-CD1 3.89Å; Y424-L428 HydrophobicContact CD1-CG 4.43Å; Y424-L428 HydrophobicContact CE1-CD1 3.56Å; Y424-L428 HydrophobicContact CE1-CG 4.13Å; Y424-L428 PolarHBondContact O-N 3.4Å; Y424-L428 VanDerWaalsContact O-N 3.11Å; Q425-L428 PolarHBondContact O-N 3.3Å; L428-R430 PolarHBondContact O-N 3.1Å; L428-R430 VanDerWaalsContact O-N 3.17Å; L428-E431 PolarHBondContact O-N 2.9Å; L428-E431 VanDerWaalsContact O-N 3.14Å; L428-D432 PolarHBondContact O-N 3.03Å |
| 429 | E | 76.7 | Confident | 64.3 | Low | 124 Ų | 124 | 119.9 Ų | 119.9 | 58% | 0.579 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64 | -20.8 | 178.5 | -72.3 | 176.7 | -172.9 | 0 | 0 | 112.8 | Q425 | Q425-E429 WeakPolarHBondContact O-CB 3.24Å; Q425-E429 WeakPolarHBondContact O-CG 3.37Å; Q425-E429 PolarHBondContact O-N 2.64Å |
| 430 | R | 70.1 | Confident | 62.2 | Low | 132 Ų | 132 | 123.1 Ų | 123.1 | 50% | 0.498 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -86.7 | -29.3 | 175.6 | -173.2 | 160.7 | 61.9 | 118.4 | 1.2 | 113.2 | E426 L427 L428 D432 F433 | E426-R430 WeakPolarHBondContact O-CB 3.47Å; E426-R430 PolarHBondContact O-N 3.41Å; L427-R430 PolarHBondContact O-N 2.99Å; L428-R430 PolarHBondContact O-N 3.1Å; L428-R430 VanDerWaalsContact O-N 3.17Å; R430-D432 VanDerWaalsContact C-N 3.29Å; R430-F433 PolarHBondContact O-N 2.96Å |
| 431 | E | 59.2 | Low | 60.5 | Low | 140 Ų | 140 | 125.7 Ų | 125.7 | 65% | 0.654 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66 | -32.1 | 172.2 | -87.2 | 176.4 | 157.8 | 0 | 0 | 111.7 | L427 L428 F433 F434 | L427-E431 PolarHBondContact O-N 3.41Å; L427-E431 VanDerWaalsContact O-N 3.16Å; L428-E431 PolarHBondContact O-N 2.9Å; L428-E431 VanDerWaalsContact O-N 3.14Å; E431-F433 PolarHBondContact O-N 3.1Å; E431-F434 PolarHBondContact O-N 2.99Å |
| 432 | D | 54.8 | Low | 58.4 | Low | 137 Ų | 137 | 124.9 Ų | 124.9 | 73% | 0.733 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -5.3 | 173.8 | -77.3 | -20.9 | 0 | 0 | 0 | 114.6 | L428 R430 | L428-D432 PolarHBondContact O-N 3.03Å; R430-D432 VanDerWaalsContact C-N 3.29Å |
| 433 | F | 45.4 | Very low | 56.3 | Low | 184 Ų | 184 | 124.6 Ų | 124.6 | 81% | 0.807 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -6.3 | 178.3 | -134.6 | -92.8 | 0 | 0 | 0 | 114 | R430 E431 | R430-F433 PolarHBondContact O-N 2.96Å; E431-F433 PolarHBondContact O-N 3.1Å |
| 434 | F | 40.1 | Very low | 54.1 | Low | 167 Ų | 167 | 130 Ų | 130 | 73% | 0.732 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -98.2 | 115.8 | 163.3 | -76.7 | -90.7 | 0 | 0 | 0 | 107.1 | E431 D436 | E431-F434 PolarHBondContact O-N 2.99Å; F434-D436 PolarHBondContact O-N 2.81Å; F434-D436 VanDerWaalsContact O-N 3.11Å |
| 435 | P | 40.9 | Very low | 52.1 | Low | 110 Ų | 110 | 131.6 Ų | 131.6 | 71% | 0.714 | 67% | 0.673 | S | S | * | * | trans | -58.4 | 125.9 | 171.7 | 24.8 | -29.8 | 0 | 0 | 0 | 107.2 | Y437 | P435-Y437 PolarHBondContact O-N 2.89Š| ||
| 436 | D | 36.5 | Very low | 49.8 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | trans | -38.9 | 113.6 | 175 | -67.2 | -54.4 | 0 | 0 | 0 | 109.6 | F434 E438 | F434-D436 PolarHBondContact O-N 2.81Å; F434-D436 VanDerWaalsContact O-N 3.11Å; D436-E438 HydrophobicContact CB-CG 4.3Å; D436-E438 PolarHBondContact O-N 2.95Å | ||
| 437 | Y | 38.2 | Very low | 47.4 | Very low | 230 Ų | 230 | 131 Ų | 131 | 90% | 0.902 | 71% | 0.709 | S | S | * | * | trans | -67.8 | 88.4 | 150.4 | -81.3 | -93.5 | 0 | 0 | 0 | 104.6 | P435 E439 | P435-Y437 PolarHBondContact O-N 2.89Å; Y437-E439 PolarHBondContact O-N 2.78Å | ||
| 438 | E | 39.3 | Very low | 45.6 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | trans | -52.7 | 104.3 | 166.9 | -75.5 | -175.6 | 155.2 | 0 | 0 | 107.1 | D436 N440 | D436-E438 HydrophobicContact CB-CG 4.3Å; D436-E438 PolarHBondContact O-N 2.95Å; E438-N440 PolarHBondContact O-N 2.9Å | ||
| 439 | E | 41.4 | Very low | 43.5 | Very low | 196 Ų | 196 | 136.9 Ų | 136.9 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | trans | -69.9 | 66.7 | 160.4 | -170.9 | -178.4 | -179 | 0 | 0 | 107.5 | Y437 | Y437-E439 PolarHBondContact O-N 2.78Š| ||
| 440 | N | 37.4 | Very low | 42.2 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | trans | -147.2 | 86.4 | 171.4 | -136.2 | 38.9 | 0 | 0 | 0 | 107.1 | E438 T442 | E438-N440 PolarHBondContact O-N 2.9Å; N440-T442 PolarHBondContact O-N 2.87Å | ||
| 441 | G | 45.8 | Very low | 41 | Very low | 81 Ų | 81 | 139.1 Ų | 139.1 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -61.6 | 106.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 442 | T | 33.5 | Very low | 40.2 | Very low | 118 Ų | 118 | 140 Ų | 140 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | trans | -160.8 | 114.8 | 152.8 | 5.3 | 0 | 0 | 0 | 0 | 111 | N440 | N440-T442 PolarHBondContact O-N 2.87Š| ||
| 443 | D | 39 | Very low | 39.7 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | 33.4 | 123.7 | 155.1 | -67.6 | -22 | 0 | 0 | 0 | 120.7 | ||||
| 444 | L | 34.8 | Very low | 39.9 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | -179.6 | 137 | 95.8 | -90 | 171.3 | 0 | 0 | 0 | 112.8 | |||||
| 445 | S | 39.5 | Very low | 40.3 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -19.7 | 134.5 | 158.4 | 56.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 446 | G | 31.9 | Very low | 40.8 | Very low | 76 Ų | 76 | 140.2 Ų | 140.2 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 136.2 | 123.7 | 136.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 447 | A | 33 | Very low | 41.8 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | 79.1 | 112 | 162.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 448 | G | 42.6 | Very low | 42.9 | Very low | 84 Ų | 84 | 138.3 Ų | 138.3 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | -73.8 | 160.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 449 | D | 33.9 | Very low | 44.2 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | -123.6 | 120.8 | 164.4 | -155.9 | -12.4 | 0 | 0 | 0 | 108.1 | Y451 | D449-Y451 PolarHBondContact O-N 2.73Š| ||
| 450 | P | 48.1 | Very low | 45.8 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -91.4 | 45.6 | -168.6 | 36.6 | -37.1 | 0 | 0 | 0 | 114.2 | ||||
| 451 | Y | 44.9 | Very low | 47.6 | Very low | 190 Ų | 190 | 128.5 Ų | 128.5 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | trans | -130.7 | 29.2 | -171.6 | -79.6 | -77.6 | 0 | 0 | 0 | 116 | D449 | D449-Y451 PolarHBondContact O-N 2.73Š| ||
| 452 | L | 42.6 | Very low | 48.8 | Very low | 158 Ų | 158 | 132 Ų | 132 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | -132.8 | 40.6 | 173.4 | -69.2 | 177 | 0 | 0 | 0 | 112.9 | ||||
| 453 | D | 45.3 | Very low | 50.8 | Low | 152 Ų | 152 | 131.3 Ų | 131.3 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -111.1 | 133.6 | 154.2 | -85.6 | -31.4 | 0 | 0 | 0 | 106.3 | ||
| 454 | D | 49.4 | Very low | 52.7 | Low | 166 Ų | 166 | 128.6 Ų | 128.6 | 89% | 0.888 | 73% | 0.729 | S | S | * | * | trans | 97.1 | 59.5 | -175.8 | -49.8 | -23.1 | 0 | 0 | 0 | 115.4 | ||||
| 455 | I | 48.3 | Very low | 54.9 | Low | 152 Ų | 152 | 127.8 Ų | 127.8 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | trans | -96.4 | 106.9 | 143.6 | -60.8 | 178.1 | 0 | 0 | 0 | 106.1 | D457 | I455-D457 PolarHBondContact O-N 3.16Š| ||
| 456 | D | 52.2 | Low | 57 | Low | 133 Ų | 133 | 125.3 Ų | 125.3 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | trans | -52 | 122.4 | 172.7 | -134.4 | -24.8 | 0 | 0 | 0 | 109.6 | E458 | D456-E458 PolarHBondContact O-N 2.95Š| ||
| 457 | D | 57 | Low | 59.4 | Low | 172 Ų | 172 | 128.7 Ų | 128.7 | 92% | 0.92 | 70% | 0.697 | S | S | * | * | trans | -73 | 30.7 | 170.9 | -78.9 | -40.6 | 0 | 0 | 0 | 111.4 | I455 M459 | I455-D457 PolarHBondContact O-N 3.16Å; D457-M459 PolarHBondContact O-N 3.37Å | ||
| 458 | E | 60.3 | Low | 61.8 | Low | 158 Ų | 158 | 128.9 Ų | 128.9 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | trans | -90.9 | 100.1 | 178.3 | -162.5 | 166.5 | -152.7 | 0 | 0 | 109.3 | D456 D460 | D456-E458 PolarHBondContact O-N 2.95Å; E458-D460 PolarHBondContact O-N 3.37Å | ||
| 459 | M | 66.3 | Low | 63.9 | Low | 103 Ų | 103 | 131.9 Ų | 131.9 | 51% | 0.507 | 67% | 0.668 | S | S | . | * | trans | -58.6 | 127.1 | 175.3 | -176.1 | 166.2 | 53.3 | 0 | 0 | 110 | D457 I463 E464 | D457-M459 PolarHBondContact O-N 3.37Å; M459-I463 HydrophobicContact CG-CG2 4.49Å; M459-E464 HydrophobicContact CE-CB 3.98Å; M459-E464 HydrophobicContact CE-CG 3.75Å; M459-E464 HydrophobicContact CG-CB 4.48Å | ||
| 460 | D | 76.7 | Confident | 66.2 | Low | 82 Ų | 82 | 131.9 Ų | 131.9 | 44% | 0.439 | 66% | 0.662 | S | S | . | * | trans | -52.8 | 126.6 | -178.7 | -170.6 | -40.6 | 0 | 0 | 0 | 110.5 | E458 E462 I463 E464 | E458-D460 PolarHBondContact O-N 3.37Å; D460-E462 PolarHBondContact O-N 3.02Å; D460-E462 VanDerWaalsContact O-N 3.1Å; D460-E462 PolarHBondContact OD1-N 2.88Å; D460-I463 HydrophobicContact CB-CB 4.22Å; D460-I463 HydrophobicContact CB-CD1 3.85Å; D460-I463 HydrophobicContact CB-CG1 3.97Å; D460-I463 WeakPolarHBondContact O-CA 3.14Å; D460-I463 WeakPolarHBondContact O-CB 3.45Å; D460-I463 PolarHBondContact O-N 3.02Å; D460-E464 PolarHBondContact O-N 3.21Å | ||
| 461 | P | 73.7 | Confident | 67.8 | Low | 95 Ų | 95 | 128.7 Ų | 128.7 | 62% | 0.617 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59.1 | -25.5 | -175.9 | 19.9 | -31.5 | 0 | 0 | 0 | 113.4 | E465 | P461-E465 WeakPolarHBondContact O-CB 3.32Å; P461-E465 PolarHBondContact O-N 3.16Å; P461-E465 VanDerWaalsContact O-N 3.1Å |
| 462 | E | 72.6 | Confident | 69.4 | Low | 154 Ų | 154 | 125.3 Ų | 125.3 | 72% | 0.72 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.3 | -35.4 | 174.5 | -170.9 | 172.5 | -177 | 0 | 0 | 111.8 | D460 A466 | D460-E462 PolarHBondContact O-N 3.02Å; D460-E462 VanDerWaalsContact O-N 3.1Å; D460-E462 PolarHBondContact OD1-N 2.88Å; E462-A466 WeakPolarHBondContact O-CB 3.41Å; E462-A466 PolarHBondContact O-N 3.25Å; E462-A466 VanDerWaalsContact O-N 3.11Å |
| 463 | I | 75.3 | Confident | 71 | Confident | 105 Ų | 105 | 122.4 Ų | 122.4 | 54% | 0.538 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -73.5 | -39.8 | 177.3 | -63.2 | 177.6 | 0 | 0 | 0 | 110.3 | M459 D460 A466 Y467 | M459-I463 HydrophobicContact CG-CG2 4.49Å; D460-I463 HydrophobicContact CB-CB 4.22Å; D460-I463 HydrophobicContact CB-CD1 3.85Å; D460-I463 HydrophobicContact CB-CG1 3.97Å; D460-I463 WeakPolarHBondContact O-CA 3.14Å; D460-I463 WeakPolarHBondContact O-CB 3.45Å; D460-I463 PolarHBondContact O-N 3.02Å; I463-A466 PolarHBondContact O-N 3.11Å; I463-Y467 WeakPolarHBondContact O-CB 3.38Å; I463-Y467 PolarHBondContact O-N 2.9Å |
| 464 | E | 79.1 | Confident | 72.1 | Confident | 90 Ų | 90 | 117.6 Ų | 117.6 | 42% | 0.421 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.3 | -46.7 | 175.6 | -170.5 | 168.5 | -146.6 | 0 | 0 | 111.3 | M459 D460 A466 Y467 E468 | M459-E464 HydrophobicContact CE-CB 3.98Å; M459-E464 HydrophobicContact CE-CG 3.75Å; M459-E464 HydrophobicContact CG-CB 4.48Å; D460-E464 PolarHBondContact O-N 3.21Å; E464-A466 VanDerWaalsContact C-N 3.34Å; E464-A466 PolarHBondContact O-N 3.23Å; E464-Y467 PolarHBondContact O-N 3.11Å; E464-E468 PolarHBondContact O-N 3.03Å |
| 465 | E | 81.1 | Confident | 73.1 | Confident | 142 Ų | 142 | 115 Ų | 115 | 66% | 0.664 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.2 | -38.9 | 177.9 | -167.6 | -177.7 | 177.5 | 0 | 0 | 111.9 | P461 Y467 K469 | P461-E465 WeakPolarHBondContact O-CB 3.32Å; P461-E465 PolarHBondContact O-N 3.16Å; P461-E465 VanDerWaalsContact O-N 3.1Å; E465-Y467 VanDerWaalsContact C-N 3.34Å; E465-K469 VanDerWaalsContact O-CB 3.3Å; E465-K469 WeakPolarHBondContact O-CB 3.39Å; E465-K469 PolarHBondContact O-N 3.38Å |
| 466 | A | 82.4 | Confident | 74.1 | Confident | 60 Ų | 60 | 117.2 Ų | 117.2 | 50% | 0.496 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.2 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E462 I463 E464 F470 | E462-A466 WeakPolarHBondContact O-CB 3.41Å; E462-A466 PolarHBondContact O-N 3.25Å; E462-A466 VanDerWaalsContact O-N 3.11Å; I463-A466 PolarHBondContact O-N 3.11Å; E464-A466 VanDerWaalsContact C-N 3.34Å; E464-A466 PolarHBondContact O-N 3.23Å; A466-F470 WeakPolarHBondContact O-CB 3.49Å; A466-F470 PolarHBondContact O-N 3.11Å |
| 467 | Y | 81.8 | Confident | 74.6 | Confident | 146 Ų | 146 | 117.4 Ų | 117.4 | 57% | 0.573 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.4 | -46.7 | 177.1 | -177.6 | -100.6 | 0 | 0 | 0 | 111.9 | I463 E464 E465 K469 F470 C471 | I463-Y467 WeakPolarHBondContact O-CB 3.38Å; I463-Y467 PolarHBondContact O-N 2.9Å; E464-Y467 PolarHBondContact O-N 3.11Å; E465-Y467 VanDerWaalsContact C-N 3.34Å; Y467-K469 VanDerWaalsContact C-N 3.28Å; Y467-K469 PolarHBondContact O-N 3.1Å; Y467-F470 WeakPolarHBondContact O-CB 3.47Å; Y467-F470 PolarHBondContact O-N 3.5Å; Y467-F470 VanDerWaalsContact O-N 3.14Å; Y467-C471 PolarHBondContact O-N 3.33Å; Y467-C471 PolarHBondContact O-SG 3Å |
| 468 | E | 85 | Confident | 74.8 | Confident | 115 Ų | 115 | 120 Ų | 120 | 54% | 0.537 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -58.8 | -42.3 | 176.1 | -73.1 | -164.3 | 157.1 | 0 | 0 | 111.6 | E464 F470 C471 L472 | E464-E468 PolarHBondContact O-N 3.03Å; E468-F470 VanDerWaalsContact C-N 3.34Å; E468-F470 PolarHBondContact O-N 2.83Å; E468-C471 PolarHBondContact O-N 3.4Å; E468-L472 WeakPolarHBondContact O-CB 3.33Å; E468-L472 WeakPolarHBondContact O-CD1 3.32Å; E468-L472 VanDerWaalsContact O-CG 3.27Å; E468-L472 WeakPolarHBondContact O-CG 3.27Å; E468-L472 PolarHBondContact O-N 3.32Å |
| 469 | K | 84.9 | Confident | 74.5 | Confident | 146 Ų | 146 | 120.2 Ų | 120.2 | 64% | 0.635 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.5 | -40 | 177 | -169.2 | 177.2 | -178.5 | 178.9 | 0 | 112.1 | E465 Y467 L472 E473 | E465-K469 VanDerWaalsContact O-CB 3.3Å; E465-K469 WeakPolarHBondContact O-CB 3.39Å; E465-K469 PolarHBondContact O-N 3.38Å; Y467-K469 VanDerWaalsContact C-N 3.28Å; Y467-K469 PolarHBondContact O-N 3.1Å; K469-L472 PolarHBondContact O-N 3.44Å; K469-E473 WeakPolarHBondContact O-CB 3.37Å; K469-E473 PolarHBondContact O-N 3.17Å |
| 470 | F | 82.3 | Confident | 73.5 | Confident | 138 Ų | 138 | 126 Ų | 126 | 61% | 0.605 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.9 | -44.5 | 175.3 | 176 | -98 | 0 | 0 | 0 | 112.1 | A466 Y467 E468 L472 E473 S474 | A466-F470 WeakPolarHBondContact O-CB 3.49Å; A466-F470 PolarHBondContact O-N 3.11Å; Y467-F470 WeakPolarHBondContact O-CB 3.47Å; Y467-F470 PolarHBondContact O-N 3.5Å; Y467-F470 VanDerWaalsContact O-N 3.14Å; E468-F470 VanDerWaalsContact C-N 3.34Å; E468-F470 PolarHBondContact O-N 2.83Å; F470-L472 VanDerWaalsContact C-N 3.34Å; F470-L472 PolarHBondContact O-N 2.86Å; F470-E473 PolarHBondContact O-N 3.36Å; F470-S474 WeakPolarHBondContact O-CB 3.41Å; F470-S474 PolarHBondContact O-N 3.17Å; F470-S474 PolarHBondContact O-OG 3.4Å |
| 471 | C | 82.3 | Confident | 73.4 | Confident | 46 Ų | 46 | 128.2 Ų | 128.2 | 31% | 0.311 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.1 | -42.6 | 175.3 | -72.9 | 0 | 0 | 0 | 0 | 111.7 | Y467 E468 S474 E475 | Y467-C471 PolarHBondContact O-N 3.33Å; Y467-C471 PolarHBondContact O-SG 3Å; E468-C471 PolarHBondContact O-N 3.4Å; C471-S474 WeakPolarHBondContact CA-OG 3.49Å; C471-S474 PolarHBondContact O-OG 3.23Å; C471-E475 WeakPolarHBondContact O-CB 3.35Å; C471-E475 PolarHBondContact O-N 3.28Å |
| 472 | L | 78.1 | Confident | 73.4 | Confident | 119 Ų | 119 | 129.9 Ų | 129.9 | 62% | 0.623 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.8 | -38.4 | 177.6 | -74.1 | 165.5 | 0 | 0 | 0 | 112.4 | E468 K469 F470 R476 | E468-L472 WeakPolarHBondContact O-CB 3.33Å; E468-L472 WeakPolarHBondContact O-CD1 3.32Å; E468-L472 VanDerWaalsContact O-CG 3.27Å; E468-L472 WeakPolarHBondContact O-CG 3.27Å; E468-L472 PolarHBondContact O-N 3.32Å; K469-L472 PolarHBondContact O-N 3.44Å; F470-L472 VanDerWaalsContact C-N 3.34Å; F470-L472 PolarHBondContact O-N 2.86Å; L472-R476 WeakPolarHBondContact O-CB 3.18Å; L472-R476 PolarHBondContact O-N 3.48Å |
| 473 | E | 77.1 | Confident | 73.4 | Confident | 96 Ų | 96 | 128.6 Ų | 128.6 | 45% | 0.449 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -72.5 | -38.6 | 178.8 | -159.3 | -171.1 | 150.1 | 0 | 0 | 112.3 | K469 F470 R476 K477 | K469-E473 WeakPolarHBondContact O-CB 3.37Å; K469-E473 PolarHBondContact O-N 3.17Å; F470-E473 PolarHBondContact O-N 3.36Å; E473-R476 PolarHBondContact O-N 2.94Å; E473-K477 PolarHBondContact O-N 2.84Å; E473-K477 WeakPolarHBondContact OE1-CE 3.47Å; E473-K477 IonicContact OE1-NZ 2.69Å; E473-K477 PolarHBondContact OE1-NZ 3.14Å |
| 474 | S | 68.7 | Low | 73.3 | Confident | 52 Ų | 52 | 130 Ų | 130 | 36% | 0.364 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.4 | -36.4 | 176.4 | 49.2 | 0 | 0 | 0 | 0 | 112.1 | F470 C471 K477 R478 | F470-S474 WeakPolarHBondContact O-CB 3.41Å; F470-S474 PolarHBondContact O-N 3.17Å; F470-S474 PolarHBondContact O-OG 3.4Å; C471-S474 WeakPolarHBondContact CA-OG 3.49Å; C471-S474 PolarHBondContact O-OG 3.23Å; S474-K477 PolarHBondContact O-N 3.25Å; S474-R478 WeakPolarHBondContact O-CB 3.48Å; S474-R478 PolarHBondContact O-N 2.69Å; S474-R478 VanDerWaalsContact O-N 3.12Å |
| 475 | E | 69.6 | Low | 72.9 | Confident | 111 Ų | 111 | 132.5 Ų | 132.5 | 52% | 0.519 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65 | -37.9 | 168.6 | -83.9 | -149.7 | 179.8 | 0 | 0 | 113 | C471 R478 K479 | C471-E475 WeakPolarHBondContact O-CB 3.35Å; C471-E475 PolarHBondContact O-N 3.28Å; E475-R478 PolarHBondContact O-N 3.09Å; E475-K479 WeakPolarHBondContact O-CG 3.03Å; E475-K479 PolarHBondContact O-N 2.91Å; E475-K479 IonicContact OE2-NZ 3.71Å; E475-K479 PolarHBondContact OE2-NZ 3.33Å |
| 476 | R | 69.2 | Low | 72.4 | Confident | 199 Ų | 199 | 131.9 Ų | 131.9 | 75% | 0.751 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.1 | -40.3 | 177.5 | -127.7 | 176.3 | 179.8 | 164.3 | 0.7 | 112 | L472 E473 R478 K479 Q480 | L472-R476 WeakPolarHBondContact O-CB 3.18Å; L472-R476 PolarHBondContact O-N 3.48Å; E473-R476 PolarHBondContact O-N 2.94Å; R476-R478 VanDerWaalsContact C-N 3.29Å; R476-R478 PolarHBondContact O-N 3.05Å; R476-K479 PolarHBondContact O-N 3.24Å; R476-Q480 PolarHBondContact O-N 3.26Å |
| 477 | K | 63.6 | Low | 71.7 | Confident | 136 Ų | 136 | 137 Ų | 137 | 59% | 0.591 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.3 | -25 | 174.8 | -78.2 | 175.8 | -176 | 157 | 0 | 113.2 | E473 S474 | E473-K477 PolarHBondContact O-N 2.84Å; E473-K477 WeakPolarHBondContact OE1-CE 3.47Å; E473-K477 IonicContact OE1-NZ 2.69Å; E473-K477 PolarHBondContact OE1-NZ 3.14Å; S474-K477 PolarHBondContact O-N 3.25Å |
| 478 | R | 60.8 | Low | 70.9 | Confident | 228 Ų | 228 | 136.3 Ų | 136.3 | 86% | 0.86 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -84.5 | -13.4 | 177.5 | -154.5 | 175.5 | 179.9 | 147 | 1.7 | 113.4 | S474 E475 R476 | S474-R478 WeakPolarHBondContact O-CB 3.48Å; S474-R478 PolarHBondContact O-N 2.69Å; S474-R478 VanDerWaalsContact O-N 3.12Å; E475-R478 PolarHBondContact O-N 3.09Å; R476-R478 VanDerWaalsContact C-N 3.29Å; R476-R478 PolarHBondContact O-N 3.05Å |
| 479 | K | 54.2 | Low | 69.7 | Low | 162 Ų | 162 | 138.1 Ų | 138.1 | 70% | 0.704 | 62% | 0.622 | S | S | * | * | trans | -106.7 | -1.3 | -179.7 | -71.4 | 171.6 | -179.7 | 155.7 | 0 | 113.5 | E475 R476 | E475-K479 WeakPolarHBondContact O-CG 3.03Å; E475-K479 PolarHBondContact O-N 2.91Å; E475-K479 IonicContact OE2-NZ 3.71Å; E475-K479 PolarHBondContact OE2-NZ 3.33Å; R476-K479 PolarHBondContact O-N 3.24Å | ||
| 480 | Q | 45.7 | Very low | 68.3 | Low | 224 Ų | 224 | 137.4 Ų | 137.4 | 100% | 1.047 | 62% | 0.62 | S | S | * | * | trans | -97.2 | 0 | 161.5 | -79.2 | -176.9 | -10.9 | 0 | 0 | 109 | R476 | R476-Q480 PolarHBondContact O-N 3.26Š|
Retrieved 480 of 480 residues in 78.4 ms
(Link to these results)