| 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 | A | 41 | Very low | 33 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 100% | 1.314 | 85% | 0.853 | S | S | * | * | 0 | 101.4 | 0 | 0 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 2 | S | 32.6 | Very low | 32.9 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 77% | 0.769 | 85% | 0.853 | S | S | * | * | trans | -70.5 | 141.3 | 174.3 | 45.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3 | V | 36.9 | Very low | 32.3 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 83% | 0.83 | 83% | 0.827 | S | S | * | * | trans | -147 | 111.6 | 134 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 4 | A | 32 | Very low | 31.9 | Very low | 77 Ų | 77 | 142.4 Ų | 142.4 | 64% | 0.636 | 83% | 0.832 | S | S | * | * | trans | -80.3 | 152 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 5 | M | 38.4 | Very low | 31.7 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | trans | -135.7 | 103.6 | 154.8 | -97.2 | -157.6 | -174.5 | 0 | 0 | 109 | ||||
| 6 | D | 29.8 | Very low | 31.4 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -73.6 | 142.9 | 159.8 | -62.4 | -55.9 | 0 | 0 | 0 | 109.6 | ||||
| 7 | T | 36.3 | Very low | 31.2 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -138.3 | 101.8 | 153.5 | 38 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 8 | E | 30.6 | Very low | 31.1 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | -80.8 | 147.2 | 169.5 | -83.2 | -176.6 | 126.5 | 0 | 0 | 112 | ||||
| 9 | S | 30 | Very low | 30.8 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | 73.4 | 122.3 | 138.7 | 75.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 10 | T | 27.7 | Very low | 30.7 | Very low | 147 Ų | 147 | 143 Ų | 143 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | -144.4 | 95.7 | 128.4 | -34.4 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 11 | Y | 27.3 | Very low | 30.6 | Very low | 213 Ų | 213 | 142.1 Ų | 142.1 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -78.2 | 127.2 | 164.8 | -179.2 | -96.3 | 0 | 0 | 0 | 107.8 | ||||
| 12 | S | 31.9 | Very low | 30.1 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -116 | 102.5 | 165 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 13 | G | 25.6 | Very low | 29.8 | Very low | 50 Ų | 50 | 144.2 Ų | 144.2 | 52% | 0.515 | 80% | 0.795 | S | S | . | * | trans | -90.8 | 139.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 14 | Y | 26.8 | Very low | 29.4 | Very low | 228 Ų | 228 | 143.6 Ų | 143.6 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | trans | -137.2 | 106.4 | 161.5 | -146.8 | -99.2 | 0 | 0 | 0 | 110.7 | ||||
| 15 | S | 28.7 | Very low | 29.2 | Very low | 81 Ų | 81 | 148.3 Ų | 148.3 | 57% | 0.566 | 81% | 0.806 | S | S | * | * | trans | 23.9 | 112.8 | 150.8 | 62 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 16 | H | 26.6 | Very low | 28.8 | Very low | 170 Ų | 170 | 151.6 Ų | 151.6 | 79% | 0.787 | 81% | 0.808 | S | S | * | * | 21.5 | 121.9 | 102.9 | -81.6 | -66.9 | 0 | 0 | 0 | 121.5 | |||||
| 17 | Y | 28.3 | Very low | 28.8 | Very low | 199 Ų | 199 | 153.2 Ų | 153.2 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | 151.4 | 151.2 | 90.5 | -132.2 | -87.5 | 0 | 0 | 0 | 114.5 | |||||
| 18 | S | 28.5 | Very low | 28.4 | Very low | 117 Ų | 117 | 150 Ų | 150 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | 87.6 | 135 | 166.2 | 81.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 19 | G | 27.1 | Very low | 28.4 | Very low | 74 Ų | 74 | 148.5 Ų | 148.5 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | cis | -148.3 | 145.9 | 19.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 20 | R | 28.1 | Very low | 28.4 | Very low | 225 Ų | 225 | 154.1 Ų | 154.1 | 85% | 0.849 | 80% | 0.804 | S | S | * | * | trans | -64.4 | 146 | 166.6 | -72.2 | 168.1 | 166 | 175 | -4.7 | 110.9 | ||||
| 21 | S | 28.5 | Very low | 28.4 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -134.9 | 126.9 | 145.9 | 34.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 22 | R | 29.8 | Very low | 28.8 | Very low | 233 Ų | 233 | 152.9 Ų | 152.9 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -80.2 | 160.3 | -169.7 | -80.4 | 167.7 | 138.2 | 164.8 | -9.1 | 111.5 | ||||
| 23 | G | 26 | Very low | 28.7 | Very low | 80 Ų | 80 | 153.4 Ų | 153.4 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -64.9 | 173.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 24 | S | 28.5 | Very low | 29.1 | Very low | 125 Ų | 125 | 161 Ų | 161 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -139.1 | 124.8 | 141.5 | 70 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 25 | H | 28.9 | Very low | 29.3 | Very low | 175 Ų | 175 | 158.3 Ų | 158.3 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -69.8 | 142.8 | 166.8 | -91.2 | -88.4 | 0 | 0 | 0 | 110 | ||||
| 26 | R | 29.6 | Very low | 29.7 | Very low | 251 Ų | 251 | 163.9 Ų | 163.9 | 95% | 0.947 | 81% | 0.814 | S | S | * | * | trans | -140.7 | 120.7 | 139.3 | -86.1 | -166 | 174.8 | 175.4 | -2 | 111 | ||||
| 27 | H | 30.2 | Very low | 29.8 | Very low | 179 Ų | 179 | 161.3 Ų | 161.3 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | -82.4 | 149 | 166 | -121.3 | -74.7 | 0 | 0 | 0 | 109.2 | ||||
| 28 | G | 28.1 | Very low | 30.1 | Very low | 75 Ų | 75 | 163.4 Ų | 163.4 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | 175.5 | 118.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 29 | E | 29.9 | Very low | 30.1 | Very low | 149 Ų | 149 | 163.8 Ų | 163.8 | 70% | 0.696 | 82% | 0.824 | S | S | * | * | trans | -79.7 | 160.7 | -166.6 | -65.8 | 176.2 | 109.2 | 0 | 0 | 116.6 | ||||
| 30 | R | 30.7 | Very low | 30.3 | Very low | 219 Ų | 219 | 169.6 Ų | 169.6 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | trans | 66.3 | 143.1 | 136.9 | -82.1 | 171.5 | 175 | 156.4 | -4.2 | 122.8 | ||||
| 31 | S | 27.8 | Very low | 30.4 | Very low | 107 Ų | 107 | 166 Ų | 166 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | trans | 102.5 | 100.9 | 154.1 | -156.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 32 | R | 34.8 | Very low | 30.4 | Very low | 227 Ų | 227 | 166 Ų | 166 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | 70.5 | 135 | 88.5 | -106.5 | -174.7 | -174.1 | 161.9 | 0.8 | 114.3 | |||||
| 33 | D | 30.6 | Very low | 30.6 | Very low | 133 Ų | 133 | 166.2 Ų | 166.2 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | trans | 101.4 | 112.6 | 157.1 | -60.6 | -46.9 | 0 | 0 | 0 | 121.4 | ||||
| 34 | R | 33.7 | Very low | 30.8 | Very low | 209 Ų | 209 | 168.2 Ų | 168.2 | 79% | 0.789 | 83% | 0.829 | S | S | * | * | trans | 0.4 | 128.4 | 137.8 | -64.6 | 169.8 | 164.2 | 167.2 | -4.5 | 115.3 | ||||
| 35 | H | 31.9 | Very low | 30.9 | Very low | 171 Ų | 171 | 171 Ų | 171 | 79% | 0.792 | 83% | 0.828 | S | S | * | * | 178 | 147.5 | 94.8 | -98.1 | -76.3 | 0 | 0 | 0 | 111.9 | |||||
| 36 | K | 36.1 | Very low | 30.9 | Very low | 198 Ų | 198 | 172.7 Ų | 172.7 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | trans | -66.4 | 131.6 | 174.8 | -177.5 | 179.2 | -174 | 176.2 | 0 | 110.8 | ||||
| 37 | S | 29.7 | Very low | 30.9 | Very low | 117 Ų | 117 | 166.1 Ų | 166.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -130.8 | 123.2 | 158.8 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 38 | R | 32.8 | Very low | 30.7 | Very low | 243 Ų | 243 | 164.4 Ų | 164.4 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | trans | -63.9 | 137.6 | 168.2 | -89.8 | 166.6 | 148.3 | 166.8 | -7.8 | 109.2 | ||||
| 39 | S | 29.8 | Very low | 30.7 | Very low | 125 Ų | 125 | 167.2 Ų | 167.2 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -119.1 | 126.4 | 156.1 | 138.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 40 | K | 31.1 | Very low | 30.4 | Very low | 196 Ų | 196 | 166.9 Ų | 166.9 | 85% | 0.852 | 83% | 0.831 | S | S | * | * | trans | -108.7 | 145.3 | -173.6 | -171.8 | -179 | -179.9 | -173.8 | 0 | 108.1 | ||||
| 41 | D | 31.2 | Very low | 30.3 | Very low | 148 Ų | 148 | 164.5 Ų | 164.5 | 79% | 0.791 | 83% | 0.834 | S | S | * | * | trans | -43.6 | 152.1 | -176.6 | -59.9 | -56.5 | 0 | 0 | 0 | 117.6 | ||||
| 42 | S | 27.9 | Very low | 30.2 | Very low | 127 Ų | 127 | 164.7 Ų | 164.7 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -131.2 | 108.9 | 151.5 | -46.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 43 | R | 33.7 | Very low | 29.7 | Very low | 237 Ų | 237 | 161.5 Ų | 161.5 | 89% | 0.894 | 83% | 0.83 | S | S | * | * | trans | -68.7 | 143.8 | 173.5 | -74.7 | 172.2 | 166.9 | 162.9 | -6 | 110.5 | ||||
| 44 | S | 29.6 | Very low | 30 | Very low | 122 Ų | 122 | 160.8 Ų | 160.8 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | trans | -129.9 | 128.4 | 152.6 | 69.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 45 | E | 30.3 | Very low | 29.6 | Very low | 183 Ų | 183 | 155.3 Ų | 155.3 | 86% | 0.855 | 83% | 0.833 | S | S | * | * | trans | -82 | 138.8 | 179.1 | -65.1 | 168.6 | 152 | 0 | 0 | 109.3 | ||||
| 46 | K | 30.5 | Very low | 29.5 | Very low | 211 Ų | 211 | 155.8 Ų | 155.8 | 92% | 0.917 | 84% | 0.835 | S | S | * | * | trans | -145.6 | 105.7 | 160.3 | -115.9 | 172.9 | -178.1 | 176.7 | 0 | 109.4 | ||||
| 47 | S | 28 | Very low | 29.6 | Very low | 113 Ų | 113 | 150.9 Ų | 150.9 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -92.1 | 133.4 | 164 | 44.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 48 | V | 26.7 | Very low | 29.5 | Very low | 142 Ų | 142 | 153.2 Ų | 153.2 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | -147.2 | 141.1 | 153 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 49 | T | 27.1 | Very low | 29.3 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 83% | 0.828 | 83% | 0.826 | S | S | * | * | trans | -78.3 | 151.9 | -161.6 | -1.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 50 | I | 25.1 | Very low | 29.2 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 73% | 0.728 | 82% | 0.824 | S | S | * | * | trans | -81.1 | 137.9 | 171.5 | -63.5 | 164.4 | 0 | 0 | 0 | 109.3 | T52 | I50-T52 HydrophobicContact CG2-CG2 4.03Š| ||
| 51 | N | 28.6 | Very low | 28.9 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | trans | -134.7 | 138.8 | 154.9 | -91.6 | -4 | 0 | 0 | 0 | 109 | ||||
| 52 | T | 25.2 | Very low | 28.6 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 68% | 0.681 | 82% | 0.819 | S | S | * | * | trans | -127.7 | 155.1 | -175.1 | 46.5 | 0 | 0 | 0 | 0 | 112.1 | I50 | I50-T52 HydrophobicContact CG2-CG2 4.03Š| ||
| 53 | L | 25 | Very low | 28.6 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | 98.1 | 152.4 | 156 | -65.9 | 149.2 | 0 | 0 | 0 | 117.8 | ||||
| 54 | P | 35.9 | Very low | 28.3 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | cis | -134.9 | -176.4 | -20.8 | 31.6 | -8.9 | 0 | 0 | 0 | 115.2 | ||||
| 55 | A | 26.5 | Very low | 28.2 | Very low | 94 Ų | 94 | 145.5 Ų | 145.5 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -55.2 | 165.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 56 | E | 28.3 | Very low | 28 | Very low | 181 Ų | 181 | 140.2 Ų | 140.2 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | cis | -170.1 | -157.9 | 39.3 | -154.2 | -166.2 | -155 | 0 | 0 | 110.1 | ||||
| 57 | P | 39.2 | Very low | 27.9 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 61% | 0.61 | 80% | 0.802 | S | S | * | * | -103.9 | 174 | -116.4 | 39.6 | -22.4 | 0 | 0 | 0 | 116.3 | |||||
| 58 | L | 27.8 | Very low | 28 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | 170.9 | 148.1 | 129.5 | -92.4 | 167.8 | 0 | 0 | 0 | 114.8 | |||||
| 59 | L | 28.1 | Very low | 28.2 | Very low | 174 Ų | 174 | 139.9 Ų | 139.9 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | trans | -58 | 153.4 | 172.8 | -74.5 | 148.1 | 0 | 0 | 0 | 114.2 | ||||
| 60 | G | 26.5 | Very low | 28.6 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | 178.4 | 108.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 61 | D | 25.6 | Very low | 28.9 | Very low | 161 Ų | 161 | 142.2 Ų | 142.2 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -85.9 | 169.8 | -176.2 | -151.3 | -6.2 | 0 | 0 | 0 | 112.6 | ||||
| 62 | S | 26 | Very low | 29.2 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | 85.9 | 103.1 | 159.3 | 73.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 63 | S | 26.6 | Very low | 29.6 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | 34.2 | 131 | 125.8 | 65.7 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 64 | L | 28 | Very low | 30.2 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | 179 | 103.9 | 136.6 | -93 | 162.5 | 0 | 0 | 0 | 107.3 | ||||
| 65 | R | 26.7 | Very low | 30.5 | Very low | 247 Ų | 247 | 143.1 Ų | 143.1 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | 79.6 | 126.5 | 80.8 | -163.4 | 175.8 | -169.3 | -175.4 | 3.5 | 115.9 | |||||
| 66 | G | 26.7 | Very low | 30.9 | Very low | 73 Ų | 73 | 147.8 Ų | 147.8 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | 99.1 | 125.9 | 163 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 67 | E | 29.3 | Very low | 31.5 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -154.2 | 140.9 | 29.1 | -106.7 | -173.3 | 123.9 | 0 | 0 | 114.1 | ||||
| 68 | K | 29.4 | Very low | 31.7 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | trans | 35.3 | 137.8 | 136.6 | -60.9 | 172.6 | -174 | 147.9 | 0 | 119.7 | ||||
| 69 | V | 31.5 | Very low | 32.5 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | -164.6 | 134.7 | 54.3 | 171.5 | 0 | 0 | 0 | 0 | 105.2 | |||||
| 70 | Q | 34.2 | Very low | 32.8 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | -177.4 | 124.8 | 88.3 | -164.1 | 149.3 | -4.6 | 0 | 0 | 109.7 | |||||
| 71 | D | 32 | Very low | 33.4 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -72.7 | 136 | 172.2 | -85.3 | -39.3 | 0 | 0 | 0 | 110.8 | ||||
| 72 | D | 34.3 | Very low | 33.9 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -134.7 | 84.3 | 150.1 | -88.6 | -36.3 | 0 | 0 | 0 | 107.9 | W74 | D72-W74 PolarHBondContact O-N 3.43Š| ||
| 73 | N | 33.9 | Very low | 35.2 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | trans | -65.3 | 100.8 | 170.6 | 175.8 | 28.6 | 0 | 0 | 0 | 110 | ||||
| 74 | W | 38.3 | Very low | 35.6 | Very low | 238 Ų | 238 | 143.8 Ų | 143.8 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -103.4 | 87.6 | 164.5 | -81.8 | 89.5 | 0 | 0 | 0 | 110.4 | D72 | D72-W74 PolarHBondContact O-N 3.43Š| ||
| 75 | G | 42.4 | Very low | 36 | Very low | 55 Ų | 55 | 141.5 Ų | 141.5 | 57% | 0.567 | 79% | 0.789 | S | S | * | * | trans | 55.6 | 74.6 | 135 | 0 | 0 | 0 | 0 | 0 | 117.3 | T77 | G75-T77 PolarHBondContact O-N 3.33Å; G75-T77 VanDerWaalsContact O-N 3.13Å | ||
| 76 | E | 34.3 | Very low | 36.8 | Very low | 193 Ų | 193 | 137.9 Ų | 137.9 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -65.2 | 100.1 | 150.6 | -70.7 | 179.3 | 157.1 | 0 | 0 | 109.3 | ||||
| 77 | T | 41.5 | Very low | 37.4 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | -109.6 | 95 | 157.1 | 50.6 | 0 | 0 | 0 | 0 | 109 | G75 T79 | G75-T77 PolarHBondContact O-N 3.33Å; G75-T77 VanDerWaalsContact O-N 3.13Å; T77-T79 PolarHBondContact O-N 3.13Å | ||
| 78 | T | 42.1 | Very low | 37.8 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | trans | -55.3 | 114.6 | 154.4 | 15.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 79 | T | 44.8 | Very low | 38.5 | Very low | 130 Ų | 130 | 140 Ų | 140 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -130.8 | 133.4 | 165 | 49.8 | 0 | 0 | 0 | 0 | 110.5 | T77 | T77-T79 PolarHBondContact O-N 3.13Š| ||
| 80 | A | 35.2 | Very low | 39.2 | Very low | 85 Ų | 85 | 135.3 Ų | 135.3 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | -56 | 142 | -164.5 | 0 | 0 | 0 | 0 | 0 | 115 | T82 | A80-T82 PolarHBondContact O-N 3.1Å; A80-T82 VanDerWaalsContact O-N 3.1Å; A80-T82 PolarHBondContact O-OG1 2.59Å | ||
| 81 | I | 39.3 | Very low | 40 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 91% | 0.913 | 76% | 0.759 | S | S | * | * | trans | -56.7 | 110.4 | 159.7 | -62.6 | 164.4 | 0 | 0 | 0 | 107 | ||||
| 82 | T | 36.5 | Very low | 41 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | trans | -112.2 | 106.8 | 165.3 | -20.8 | 0 | 0 | 0 | 0 | 106.7 | A80 | A80-T82 PolarHBondContact O-N 3.1Å; A80-T82 VanDerWaalsContact O-N 3.1Å; A80-T82 PolarHBondContact O-OG1 2.59Å | ||
| 83 | G | 52.2 | Low | 42 | Very low | 66 Ų | 66 | 127.8 Ų | 127.8 | 68% | 0.68 | 72% | 0.72 | S | S | * | * | trans | -73.1 | 129.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 84 | T | 35 | Very low | 43.2 | Very low | 133 Ų | 133 | 126.1 Ų | 126.1 | 82% | 0.816 | 71% | 0.711 | S | S | * | * | trans | -164.8 | 132.8 | 157.5 | 53.3 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 85 | S | 37.2 | Very low | 44.1 | Very low | 117 Ų | 117 | 118.7 Ų | 118.7 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | cis | -161.3 | 138.3 | 10.9 | 46.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 86 | E | 43.6 | Very low | 44.9 | Very low | 171 Ų | 171 | 123.8 Ų | 123.8 | 80% | 0.799 | 69% | 0.693 | S | S | * | * | trans | -70.3 | 151.4 | 171.8 | -54.4 | -179.2 | 166.4 | 0 | 0 | 109.9 | ||||
| 87 | H | 37.7 | Very low | 46 | Very low | 188 Ų | 188 | 119.8 Ų | 119.8 | 87% | 0.87 | 68% | 0.677 | S | S | * | * | trans | 100.9 | 64.3 | 177.7 | -55 | -58.2 | 0 | 0 | 0 | 117.8 | ||||
| 88 | S | 37.6 | Very low | 46.8 | Very low | 94 Ų | 94 | 117.1 Ų | 117.1 | 66% | 0.657 | 66% | 0.661 | S | S | * | * | trans | -150.8 | 108.7 | 135.1 | 53.3 | 0 | 0 | 0 | 0 | 107.8 | S90 | S88-S90 PolarHBondContact O-N 3.37Š| ||
| 89 | L | 44.4 | Very low | 47.4 | Very low | 166 Ų | 166 | 115.7 Ų | 115.7 | 87% | 0.869 | 64% | 0.642 | S | S | * | * | trans | -62.9 | 88.7 | 169.6 | -71.4 | 169.8 | 0 | 0 | 0 | 107.5 | ||||
| 90 | S | 47.6 | Very low | 48 | Very low | 30 Ų | 30 | 114.4 Ų | 114.4 | 21% | 0.21 | 63% | 0.631 | C | S | . | * | trans | -87.5 | 157.7 | 176.4 | 73.9 | 0 | 0 | 0 | 0 | 108.5 | S88 E92 D93 | S88-S90 PolarHBondContact O-N 3.37Å; S90-E92 PolarHBondContact O-N 3.45Å; S90-E92 WeakPolarHBondContact OG-CB 3.32Å; S90-E92 VanDerWaalsContact OG-CD 3.24Å; S90-E92 PolarHBondContact OG-OE2 3.5Å; S90-D93 PolarHBondContact O-N 2.95Å | ||
| 91 | Q | 49.6 | Very low | 49 | Very low | 157 Ų | 157 | 115.3 Ų | 115.3 | 73% | 0.734 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -52.7 | -17.7 | 175.8 | -167.7 | 173.7 | 5.2 | 0 | 0 | 113.1 | I94 V95 | Q91-I94 PolarHBondContact O-N 2.92Å; Q91-V95 VanDerWaalsContact O-CG2 3.29Å; Q91-V95 WeakPolarHBondContact O-CG2 3.31Å; Q91-V95 PolarHBondContact O-N 3.42Å |
| 92 | E | 54.3 | Low | 49.6 | Very low | 91 Ų | 91 | 111.7 Ų | 111.7 | 43% | 0.425 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.8 | -37.2 | 175.6 | -59.3 | 139.5 | -168.1 | 0 | 0 | 112.1 | S90 R96 K517 | S90-E92 PolarHBondContact O-N 3.45Å; S90-E92 WeakPolarHBondContact OG-CB 3.32Å; S90-E92 VanDerWaalsContact OG-CD 3.24Å; S90-E92 PolarHBondContact OG-OE2 3.5Å; E92-R96 WeakPolarHBondContact O-CB 3.41Å; E92-R96 WeakPolarHBondContact O-CG 3.34Å; E92-R96 PolarHBondContact O-N 2.87Å; E92-K517 IonicContact OE1-NZ 3.4Å; E92-K517 PolarHBondContact OE1-NZ 2.98Å |
| 93 | D | 54.7 | Low | 50.6 | Low | 60 Ų | 60 | 111.3 Ų | 111.3 | 32% | 0.321 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -73.1 | -35.8 | 175.1 | -74 | -21.1 | 0 | 0 | 0 | 111.4 | S90 R96 I97 | S90-D93 PolarHBondContact O-N 2.95Å; D93-R96 PolarHBondContact O-N 3.35Å; D93-I97 VanDerWaalsContact O-CB 3.26Å; D93-I97 WeakPolarHBondContact O-CB 3.19Å; D93-I97 VanDerWaalsContact O-CD1 3.3Å; D93-I97 WeakPolarHBondContact O-CD1 3.24Å; D93-I97 WeakPolarHBondContact O-CG1 2.97Å; D93-I97 PolarHBondContact O-N 2.96Å |
| 94 | I | 59.4 | Low | 50.8 | Low | 109 Ų | 109 | 112.6 Ų | 112.6 | 56% | 0.559 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.5 | -41.2 | 175.9 | -59.9 | 173.9 | 0 | 0 | 0 | 110.4 | Q91 T98 | Q91-I94 PolarHBondContact O-N 2.92Å; I94-T98 WeakPolarHBondContact O-CB 3.27Å; I94-T98 PolarHBondContact O-N 3.28Å; I94-T98 PolarHBondContact O-OG1 2.85Å |
| 95 | V | 57.6 | Low | 51.6 | Low | 81 Ų | 81 | 109.3 Ų | 109.3 | 49% | 0.491 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.3 | -39.3 | 177.1 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | Q91 T98 K99 | Q91-V95 VanDerWaalsContact O-CG2 3.29Å; Q91-V95 WeakPolarHBondContact O-CG2 3.31Å; Q91-V95 PolarHBondContact O-N 3.42Å; V95-T98 PolarHBondContact O-N 3.15Å; V95-K99 VanDerWaalsContact O-CB 3.26Å; V95-K99 WeakPolarHBondContact O-CB 3.26Å; V95-K99 PolarHBondContact O-N 3.34Å |
| 96 | R | 57.8 | Low | 52.3 | Low | 162 Ų | 162 | 105.7 Ų | 105.7 | 61% | 0.611 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.6 | -44.1 | 172.9 | -78.9 | 178.4 | 179.6 | 163.6 | -0.2 | 112.5 | E92 D93 T98 K99 D100 | E92-R96 WeakPolarHBondContact O-CB 3.41Å; E92-R96 WeakPolarHBondContact O-CG 3.34Å; E92-R96 PolarHBondContact O-N 2.87Å; D93-R96 PolarHBondContact O-N 3.35Å; R96-T98 VanDerWaalsContact C-N 3.29Å; R96-T98 PolarHBondContact O-N 2.78Å; R96-K99 CarbonylContact O-C 3.59Å; R96-K99 PolarHBondContact O-N 2.75Å; R96-D100 WeakPolarHBondContact O-CB 3.24Å; R96-D100 VanDerWaalsContact O-CG 3.29Å; R96-D100 PolarHBondContact O-N 3.48Å |
| 97 | I | 57.1 | Low | 52.8 | Low | 109 Ų | 109 | 103 Ų | 103 | 56% | 0.559 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.2 | -39 | 174.5 | -69 | 162.3 | 0 | 0 | 0 | 110.5 | D93 L101 | D93-I97 VanDerWaalsContact O-CB 3.26Å; D93-I97 WeakPolarHBondContact O-CB 3.19Å; D93-I97 VanDerWaalsContact O-CD1 3.3Å; D93-I97 WeakPolarHBondContact O-CD1 3.24Å; D93-I97 WeakPolarHBondContact O-CG1 2.97Å; D93-I97 PolarHBondContact O-N 2.96Å; I97-L101 WeakPolarHBondContact O-CB 3.07Å; I97-L101 PolarHBondContact O-N 2.86Å |
| 98 | T | 58.9 | Low | 53.6 | Low | 64 Ų | 64 | 99.7 Ų | 99.7 | 39% | 0.393 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 175.6 | -52.4 | 0 | 0 | 0 | 0 | 111.1 | I94 V95 R96 L101 E102 | I94-T98 WeakPolarHBondContact O-CB 3.27Å; I94-T98 PolarHBondContact O-N 3.28Å; I94-T98 PolarHBondContact O-OG1 2.85Å; V95-T98 PolarHBondContact O-N 3.15Å; R96-T98 VanDerWaalsContact C-N 3.29Å; R96-T98 PolarHBondContact O-N 2.78Å; T98-L101 PolarHBondContact O-N 3.47Å; T98-E102 VanDerWaalsContact O-CB 3.32Å; T98-E102 WeakPolarHBondContact O-CB 3.2Å; T98-E102 VanDerWaalsContact O-CG 3.27Å; T98-E102 WeakPolarHBondContact O-CG 3.41Å; T98-E102 PolarHBondContact O-N 3.31Å |
| 99 | K | 55.8 | Low | 54.6 | Low | 112 Ų | 112 | 98.1 Ų | 98.1 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 177.4 | -171.4 | -177.7 | 173.6 | 77.2 | 0 | 112 | V95 R96 L101 E102 D103 | V95-K99 VanDerWaalsContact O-CB 3.26Å; V95-K99 WeakPolarHBondContact O-CB 3.26Å; V95-K99 PolarHBondContact O-N 3.34Å; R96-K99 CarbonylContact O-C 3.59Å; R96-K99 PolarHBondContact O-N 2.75Å; K99-L101 VanDerWaalsContact C-N 3.33Å; K99-L101 PolarHBondContact O-N 3.03Å; K99-E102 CarbonylContact O-C 3.6Å; K99-E102 PolarHBondContact O-N 3.46Å; K99-D103 WeakPolarHBondContact O-CB 3.26Å; K99-D103 PolarHBondContact O-N 2.77Å |
| 100 | D | 55.8 | Low | 55.5 | Low | 103 Ų | 103 | 95.5 Ų | 95.5 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.3 | -34.8 | 175.7 | -72.3 | -16.3 | 0 | 0 | 0 | 111 | R96 S104 | R96-D100 WeakPolarHBondContact O-CB 3.24Å; R96-D100 VanDerWaalsContact O-CG 3.29Å; R96-D100 PolarHBondContact O-N 3.48Å; D100-S104 VanDerWaalsContact O-CB 3.24Å; D100-S104 WeakPolarHBondContact O-CB 3.3Å; D100-S104 PolarHBondContact O-N 3.4Å; D100-S104 PolarHBondContact O-OG 3.46Å |
| 101 | L | 56.7 | Low | 56.3 | Low | 103 Ų | 103 | 98.4 Ų | 98.4 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71 | -35.8 | 172.2 | -168.4 | 69.6 | 0 | 0 | 0 | 112 | I97 T98 K99 S104 V105 | I97-L101 WeakPolarHBondContact O-CB 3.07Å; I97-L101 PolarHBondContact O-N 2.86Å; T98-L101 PolarHBondContact O-N 3.47Å; K99-L101 VanDerWaalsContact C-N 3.33Å; K99-L101 PolarHBondContact O-N 3.03Å; L101-S104 WeakPolarHBondContact CA-OG 3.1Å; L101-S104 PolarHBondContact O-OG 3.21Å; L101-V105 HydrophobicContact CD1-CG2 4.19Å; L101-V105 HydrophobicContact CG-CG2 4.4Å; L101-V105 VanDerWaalsContact O-CB 3.26Å; L101-V105 WeakPolarHBondContact O-CB 3.27Å; L101-V105 VanDerWaalsContact O-CG2 3.27Å; L101-V105 WeakPolarHBondContact O-CG2 3.32Å; L101-V105 PolarHBondContact O-N 3Å |
| 102 | E | 52.8 | Low | 57.2 | Low | 103 Ų | 103 | 98 Ų | 98 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.2 | -34.1 | 174.2 | -79.6 | 179.6 | 157.7 | 0 | 0 | 112.6 | T98 K99 | T98-E102 VanDerWaalsContact O-CB 3.32Å; T98-E102 WeakPolarHBondContact O-CB 3.2Å; T98-E102 VanDerWaalsContact O-CG 3.27Å; T98-E102 WeakPolarHBondContact O-CG 3.41Å; T98-E102 PolarHBondContact O-N 3.31Å; K99-E102 CarbonylContact O-C 3.6Å; K99-E102 PolarHBondContact O-N 3.46Å |
| 103 | D | 56 | Low | 58.2 | Low | 119 Ų | 119 | 97.2 Ų | 97.2 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -77.3 | -31.2 | 175.6 | -77.1 | -23 | 0 | 0 | 0 | 111.9 | K99 | K99-D103 WeakPolarHBondContact O-CB 3.26Å; K99-D103 PolarHBondContact O-N 2.77Å |
| 104 | S | 56.4 | Low | 59.1 | Low | 92 Ų | 92 | 97.1 Ų | 97.1 | 64% | 0.643 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -85.1 | -26.4 | 177.1 | 53.4 | 0 | 0 | 0 | 0 | 114 | D100 L101 | D100-S104 VanDerWaalsContact O-CB 3.24Å; D100-S104 WeakPolarHBondContact O-CB 3.3Å; D100-S104 PolarHBondContact O-N 3.4Å; D100-S104 PolarHBondContact O-OG 3.46Å; L101-S104 WeakPolarHBondContact CA-OG 3.1Å; L101-S104 PolarHBondContact O-OG 3.21Å |
| 105 | V | 53.1 | Low | 59.9 | Low | 64 Ų | 64 | 98.6 Ų | 98.6 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -100.1 | 80.1 | 170.6 | -174.1 | 0 | 0 | 0 | 0 | 107.8 | L101 L107 C109 | L101-V105 HydrophobicContact CD1-CG2 4.19Å; L101-V105 HydrophobicContact CG-CG2 4.4Å; L101-V105 VanDerWaalsContact O-CB 3.26Å; L101-V105 WeakPolarHBondContact O-CB 3.27Å; L101-V105 VanDerWaalsContact O-CG2 3.27Å; L101-V105 WeakPolarHBondContact O-CG2 3.32Å; L101-V105 PolarHBondContact O-N 3Å; V105-L107 PolarHBondContact O-N 3.17Å; V105-C109 HydrophobicContact CG1-CB 3.66Å |
| 106 | G | 51.4 | Low | 61 | Low | 42 Ų | 42 | 97.6 Ų | 97.6 | 43% | 0.433 | 50% | 0.502 | S | S | . | . | trans | -41.4 | 135.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D108 C109 | G106-D108 CarbonylContact O-C 3.6Å; G106-D108 PolarHBondContact O-N 2.86Å; G106-C109 VanDerWaalsContact O-CB 3.31Å; G106-C109 WeakPolarHBondContact O-CB 3.2Å; G106-C109 PolarHBondContact O-N 3.18Å | ||
| 107 | L | 53.3 | Low | 62.1 | Low | 113 Ų | 113 | 94.9 Ų | 94.9 | 59% | 0.592 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -45.6 | -28.7 | -172 | -71.7 | 160 | 0 | 0 | 0 | 114.5 | V105 C109 R110 H111 | V105-L107 PolarHBondContact O-N 3.17Å; L107-C109 PolarHBondContact O-N 2.74Å; L107-R110 PolarHBondContact O-N 2.81Å; L107-H111 PolarHBondContact O-CD2 3.38Å; L107-H111 VanDerWaalsContact O-CD2 3.26Å; L107-H111 PolarHBondContact O-N 3.4Å |
| 108 | D | 55.1 | Low | 63.3 | Low | 119 Ų | 119 | 91.2 Ų | 91.2 | 64% | 0.636 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.4 | -43.2 | 172.6 | -72.1 | -28.7 | 0 | 0 | 0 | 112.6 | G106 R110 H111 Y112 | G106-D108 CarbonylContact O-C 3.6Å; G106-D108 PolarHBondContact O-N 2.86Å; D108-R110 VanDerWaalsContact C-N 3.33Å; D108-R110 PolarHBondContact O-N 3.22Å; D108-H111 PolarHBondContact O-N 2.78Å; D108-H111 VanDerWaalsContact O-N 3.15Å; D108-Y112 HydrophobicContact CB-CD2 4.33Å; D108-Y112 HydrophobicContact CB-CE2 4.11Å; D108-Y112 WeakPolarHBondContact O-CD2 3.02Å; D108-Y112 PolarHBondContact O-N 3.45Å |
| 109 | C | 59.2 | Low | 64.5 | Low | 61 Ų | 61 | 91 Ų | 91 | 41% | 0.412 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61 | -39 | -178.9 | -167.2 | 0 | 0 | 0 | 0 | 111.9 | V105 G106 L107 H111 Y112 V113 | V105-C109 HydrophobicContact CG1-CB 3.66Å; G106-C109 VanDerWaalsContact O-CB 3.31Å; G106-C109 WeakPolarHBondContact O-CB 3.2Å; G106-C109 PolarHBondContact O-N 3.18Å; L107-C109 PolarHBondContact O-N 2.74Å; C109-H111 PolarHBondContact O-N 3.41Å; C109-Y112 PolarHBondContact O-N 3.26Å; C109-V113 WeakPolarHBondContact O-CB 3.43Å; C109-V113 WeakPolarHBondContact O-CG2 3.4Å; C109-V113 PolarHBondContact O-N 3.03Å |
| 110 | R | 63.9 | Low | 66.1 | Low | 112 Ų | 112 | 90.8 Ų | 90.8 | 42% | 0.423 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 176.3 | -177.2 | 175.5 | 167.7 | 125 | -12.2 | 112.6 | L107 D108 V113 T114 P182 | L107-R110 PolarHBondContact O-N 2.81Å; D108-R110 VanDerWaalsContact C-N 3.33Å; D108-R110 PolarHBondContact O-N 3.22Å; R110-V113 PolarHBondContact O-N 2.87Å; R110-T114 WeakPolarHBondContact O-CG2 3.29Å; R110-T114 PolarHBondContact O-N 3.05Å; R110-T114 PolarHBondContact O-OG1 2.89Å; R110-P182 PolarHBondContact NH2-O 3.47Å |
| 111 | H | 63.7 | Low | 67.6 | Low | 90 Ų | 90 | 87.5 Ų | 87.5 | 42% | 0.417 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 174 | -74.5 | -61.8 | 0 | 0 | 0 | 111.9 | L107 D108 C109 T114 R115 | L107-H111 PolarHBondContact O-CD2 3.38Å; L107-H111 VanDerWaalsContact O-CD2 3.26Å; L107-H111 PolarHBondContact O-N 3.4Å; D108-H111 PolarHBondContact O-N 2.78Å; D108-H111 VanDerWaalsContact O-N 3.15Å; C109-H111 PolarHBondContact O-N 3.41Å; H111-T114 PolarHBondContact O-OG1 2.86Å; H111-T114 VanDerWaalsContact O-OG1 3.13Å; H111-R115 WeakPolarHBondContact O-CB 3.31Å; H111-R115 PolarHBondContact O-N 2.83Å |
| 112 | Y | 68.7 | Low | 69.1 | Low | 149 Ų | 149 | 82.8 Ų | 82.8 | 58% | 0.584 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.6 | -43.2 | 172.6 | -72.8 | -68.7 | 0 | 0 | 0 | 111.9 | D108 C109 R115 S116 | D108-Y112 HydrophobicContact CB-CD2 4.33Å; D108-Y112 HydrophobicContact CB-CE2 4.11Å; D108-Y112 WeakPolarHBondContact O-CD2 3.02Å; D108-Y112 PolarHBondContact O-N 3.45Å; C109-Y112 PolarHBondContact O-N 3.26Å; Y112-R115 PolarHBondContact O-N 3.13Å; Y112-S116 WeakPolarHBondContact O-CB 2.92Å; Y112-S116 PolarHBondContact O-N 2.89Å; Y112-S116 PolarHBondContact O-OG 2.98Å |
| 113 | V | 74.3 | Confident | 70.8 | Confident | 74 Ų | 74 | 82.1 Ų | 82.1 | 45% | 0.448 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.9 | -49.6 | 179.2 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | C109 R110 R115 S116 I117 | C109-V113 WeakPolarHBondContact O-CB 3.43Å; C109-V113 WeakPolarHBondContact O-CG2 3.4Å; C109-V113 PolarHBondContact O-N 3.03Å; R110-V113 PolarHBondContact O-N 2.87Å; V113-R115 PolarHBondContact O-N 3.25Å; V113-S116 PolarHBondContact O-N 3.45Å; V113-I117 HydrophobicContact CG1-CD1 3.76Å; V113-I117 HydrophobicContact CG1-CG1 4.44Å; V113-I117 VanDerWaalsContact O-CG1 3.29Å; V113-I117 WeakPolarHBondContact O-CG1 3.5Å; V113-I117 PolarHBondContact O-N 3.35Å |
| 114 | T | 73.4 | Confident | 72.5 | Confident | 58 Ų | 58 | 79.8 Ų | 79.8 | 36% | 0.356 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 178.1 | 50.2 | 0 | 0 | 0 | 0 | 112.1 | R110 H111 A118 | R110-T114 WeakPolarHBondContact O-CG2 3.29Å; R110-T114 PolarHBondContact O-N 3.05Å; R110-T114 PolarHBondContact O-OG1 2.89Å; H111-T114 PolarHBondContact O-OG1 2.86Å; H111-T114 VanDerWaalsContact O-OG1 3.13Å; T114-A118 VanDerWaalsContact O-CB 3.31Å; T114-A118 WeakPolarHBondContact O-CB 3.33Å; T114-A118 PolarHBondContact O-N 3.23Å |
| 115 | R | 76.9 | Confident | 74.2 | Confident | 140 Ų | 140 | 76 Ų | 76 | 53% | 0.528 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 174.2 | -172.9 | 176.9 | -178.1 | -177.5 | -1.4 | 111.8 | H111 Y112 V113 A118 V119 | H111-R115 WeakPolarHBondContact O-CB 3.31Å; H111-R115 PolarHBondContact O-N 2.83Å; Y112-R115 PolarHBondContact O-N 3.13Å; V113-R115 PolarHBondContact O-N 3.25Å; R115-A118 PolarHBondContact O-N 3.39Å; R115-V119 WeakPolarHBondContact O-CG2 3.31Å; R115-V119 PolarHBondContact O-N 3.37Å |
| 116 | S | 80.3 | Confident | 76 | Confident | 61 Ų | 61 | 74.9 Ų | 74.9 | 43% | 0.427 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 178.3 | -68.8 | 0 | 0 | 0 | 0 | 111.7 | Y112 V113 A118 V119 I120 | Y112-S116 WeakPolarHBondContact O-CB 2.92Å; Y112-S116 PolarHBondContact O-N 2.89Å; Y112-S116 PolarHBondContact O-OG 2.98Å; V113-S116 PolarHBondContact O-N 3.45Å; S116-A118 VanDerWaalsContact C-N 3.25Å; S116-A118 PolarHBondContact O-N 2.87Å; S116-V119 PolarHBondContact O-N 2.89Å; S116-I120 VanDerWaalsContact O-CG1 3.24Å; S116-I120 WeakPolarHBondContact O-CG1 3.45Å; S116-I120 PolarHBondContact O-N 3.31Å |
| 117 | I | 81.9 | Confident | 77.9 | Confident | 104 Ų | 104 | 78.3 Ų | 78.3 | 53% | 0.533 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57.8 | -43.3 | 174.5 | -69.1 | 165.9 | 0 | 0 | 0 | 110.3 | V113 I120 L121 | V113-I117 HydrophobicContact CG1-CD1 3.76Å; V113-I117 HydrophobicContact CG1-CG1 4.44Å; V113-I117 VanDerWaalsContact O-CG1 3.29Å; V113-I117 WeakPolarHBondContact O-CG1 3.5Å; V113-I117 PolarHBondContact O-N 3.35Å; I117-I120 PolarHBondContact O-N 3.29Å; I117-L121 WeakPolarHBondContact O-CB 3.36Å; I117-L121 PolarHBondContact O-N 2.92Å |
| 118 | A | 81.4 | Confident | 79.9 | Confident | 33 Ų | 33 | 73.1 Ų | 73.1 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | T114 R115 S116 L121 G122 F173 | T114-A118 VanDerWaalsContact O-CB 3.31Å; T114-A118 WeakPolarHBondContact O-CB 3.33Å; T114-A118 PolarHBondContact O-N 3.23Å; R115-A118 PolarHBondContact O-N 3.39Å; S116-A118 VanDerWaalsContact C-N 3.25Å; S116-A118 PolarHBondContact O-N 2.87Å; A118-L121 PolarHBondContact O-N 3.44Å; A118-G122 PolarHBondContact O-N 3.46Å; A118-F173 HydrophobicContact CB-CD1 3.92Å; A118-F173 HydrophobicContact CB-CE1 3.41Å; A118-F173 VanDerWaalsContact CB-CE1 3.41Å; A118-F173 HydrophobicContact CB-CZ 4.48Å; A118-F173 WeakPolarHBondContact O-CE1 3.17Å; A118-F173 WeakPolarHBondContact O-CZ 3.48Å |
| 119 | V | 84.9 | Confident | 81.6 | Confident | 58 Ų | 58 | 67.5 Ų | 67.5 | 35% | 0.352 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 174.9 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | R115 S116 L121 G122 L123 F173 | R115-V119 WeakPolarHBondContact O-CG2 3.31Å; R115-V119 PolarHBondContact O-N 3.37Å; S116-V119 PolarHBondContact O-N 2.89Å; V119-L121 VanDerWaalsContact C-N 3.33Å; V119-L121 PolarHBondContact O-N 3.2Å; V119-G122 PolarHBondContact O-N 2.88Å; V119-G122 VanDerWaalsContact O-N 3.16Å; V119-L123 HydrophobicContact CG1-CD1 4.09Å; V119-L123 HydrophobicContact CG1-CG 4.36Å; V119-L123 WeakPolarHBondContact O-CG 3.33Å; V119-L123 PolarHBondContact O-N 2.99Å; V119-F173 HydrophobicContact CG2-CD1 4.46Å |
| 120 | I | 88.4 | Confident | 83.2 | Confident | 108 Ų | 108 | 67.4 Ų | 67.4 | 55% | 0.554 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.1 | -46.5 | 177.6 | -68.2 | 163.4 | 0 | 0 | 0 | 110.2 | S116 I117 G122 L123 L124 | S116-I120 VanDerWaalsContact O-CG1 3.24Å; S116-I120 WeakPolarHBondContact O-CG1 3.45Å; S116-I120 PolarHBondContact O-N 3.31Å; I117-I120 PolarHBondContact O-N 3.29Å; I120-G122 VanDerWaalsContact C-N 3.33Å; I120-G122 PolarHBondContact O-N 3.1Å; I120-L123 PolarHBondContact O-N 3.16Å; I120-L124 VanDerWaalsContact O-CB 3.31Å; I120-L124 WeakPolarHBondContact O-CB 3.45Å; I120-L124 PolarHBondContact O-N 3.35Å |
| 121 | L | 88 | Confident | 84.5 | Confident | 34 Ų | 34 | 63.4 Ų | 63.4 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 176.6 | -173.7 | 66.4 | 0 | 0 | 0 | 111.5 | I117 A118 V119 L124 V125 A192 V195 L196 | I117-L121 WeakPolarHBondContact O-CB 3.36Å; I117-L121 PolarHBondContact O-N 2.92Å; A118-L121 PolarHBondContact O-N 3.44Å; V119-L121 VanDerWaalsContact C-N 3.33Å; V119-L121 PolarHBondContact O-N 3.2Å; L121-L124 PolarHBondContact O-N 2.87Å; L121-V125 WeakPolarHBondContact O-CB 3.49Å; L121-V125 WeakPolarHBondContact O-CG2 3.42Å; L121-V125 PolarHBondContact O-N 3.42Å; L121-A192 HydrophobicContact CD2-CB 3.88Å; L121-V195 HydrophobicContact CD1-CG1 4.32Å; L121-V195 HydrophobicContact CG-CG1 4.44Å; L121-L196 HydrophobicContact CD1-CD1 4.38Å |
| 122 | G | 87.6 | Confident | 85.9 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62 | -44.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A118 V119 I120 F126 | A118-G122 PolarHBondContact O-N 3.46Å; V119-G122 PolarHBondContact O-N 2.88Å; V119-G122 VanDerWaalsContact O-N 3.16Å; I120-G122 VanDerWaalsContact C-N 3.33Å; I120-G122 PolarHBondContact O-N 3.1Å; G122-F126 WeakPolarHBondContact O-CB 3.47Å; G122-F126 PolarHBondContact O-N 2.9Å; G122-F126 VanDerWaalsContact O-N 3.1Å |
| 123 | L | 89.6 | Confident | 86.9 | Confident | 89 Ų | 89 | 52.7 Ų | 52.7 | 47% | 0.466 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 174.5 | -67.7 | 173.9 | 0 | 0 | 0 | 110.7 | V119 I120 V125 F126 F127 | V119-L123 HydrophobicContact CG1-CD1 4.09Å; V119-L123 HydrophobicContact CG1-CG 4.36Å; V119-L123 WeakPolarHBondContact O-CG 3.33Å; V119-L123 PolarHBondContact O-N 2.99Å; I120-L123 PolarHBondContact O-N 3.16Å; L123-V125 VanDerWaalsContact C-N 3.34Å; L123-V125 PolarHBondContact O-N 2.92Å; L123-F126 PolarHBondContact O-N 2.87Å; L123-F127 HydrophobicContact CB-CD2 4.23Å; L123-F127 HydrophobicContact CB-CE2 4.37Å; L123-F127 HydrophobicContact CD2-CE2 4.03Å; L123-F127 WeakPolarHBondContact O-CB 3.42Å; L123-F127 WeakPolarHBondContact O-CD2 3.29Å; L123-F127 PolarHBondContact O-N 3.29Å |
| 124 | L | 90.7 | Very high | 87.6 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 37% | 0.366 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55.8 | -50.7 | 178.1 | -177.1 | 151.1 | 0 | 0 | 0 | 110.4 | I120 L121 F126 F127 T128 V199 | I120-L124 VanDerWaalsContact O-CB 3.31Å; I120-L124 WeakPolarHBondContact O-CB 3.45Å; I120-L124 PolarHBondContact O-N 3.35Å; L121-L124 PolarHBondContact O-N 2.87Å; L124-F126 VanDerWaalsContact C-N 3.33Å; L124-F126 PolarHBondContact O-N 3.01Å; L124-F127 PolarHBondContact O-N 3.28Å; L124-T128 PolarHBondContact O-N 3.25Å; L124-T128 PolarHBondContact O-OG1 3.21Å; L124-V199 HydrophobicContact CD2-CB 4.06Å; L124-V199 HydrophobicContact CD2-CG1 3.45Å; L124-V199 VanDerWaalsContact CD2-CG1 3.45Å; L124-V199 HydrophobicContact CD2-CG2 4.1Å |
| 125 | V | 91.4 | Very high | 88.4 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 7% | 0.073 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61 | -36.6 | 178.8 | 171.9 | 0 | 0 | 0 | 0 | 113.1 | L121 L123 T128 P129 L165 V195 V199 L232 | L121-V125 WeakPolarHBondContact O-CB 3.49Å; L121-V125 WeakPolarHBondContact O-CG2 3.42Å; L121-V125 PolarHBondContact O-N 3.42Å; L123-V125 VanDerWaalsContact C-N 3.34Å; L123-V125 PolarHBondContact O-N 2.92Å; V125-T128 PolarHBondContact O-OG1 3.15Å; V125-P129 WeakPolarHBondContact O-CD 3.31Å; V125-L165 HydrophobicContact CG1-CD1 4.2Å; V125-L165 HydrophobicContact CG1-CD2 4.15Å; V125-V195 HydrophobicContact CG2-CG1 3.37Å; V125-V199 HydrophobicContact CG2-CG2 4.23Å; V125-L232 HydrophobicContact CG1-CB 4.47Å; V125-L232 HydrophobicContact CG1-CD1 3.72Å; V125-L232 HydrophobicContact CG1-CD2 3.79Å; V125-L232 HydrophobicContact CG1-CG 4.19Å; V125-L232 HydrophobicContact CG2-CD2 4.41Å |
| 126 | F | 91.5 | Very high | 88.8 | Confident | 42 Ų | 42 | 45.4 Ų | 45.4 | 18% | 0.184 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -75 | -40.4 | 179.1 | 179.7 | -100.2 | 0 | 0 | 0 | 112.4 | G122 L123 L124 L130 L162 L165 L166 | G122-F126 WeakPolarHBondContact O-CB 3.47Å; G122-F126 PolarHBondContact O-N 2.9Å; G122-F126 VanDerWaalsContact O-N 3.1Å; L123-F126 PolarHBondContact O-N 2.87Å; L124-F126 VanDerWaalsContact C-N 3.33Å; L124-F126 PolarHBondContact O-N 3.01Å; F126-L130 HydrophobicContact CD1-CD1 4.32Å; F126-L130 HydrophobicContact CE1-CD1 3.82Å; F126-L130 HydrophobicContact CZ-CD1 4.23Å; F126-L162 HydrophobicContact CE2-CB 4.44Å; F126-L165 HydrophobicContact CB-CD2 4.28Å; F126-L165 HydrophobicContact CD2-CD2 4.05Å; F126-L166 HydrophobicContact CD2-CB 4.23Å; F126-L166 HydrophobicContact CD2-CD1 4.14Å; F126-L166 HydrophobicContact CE2-CB 3.87Å; F126-L166 HydrophobicContact CE2-CD1 4Å; F126-L166 HydrophobicContact CE2-CG 4.37Å; F126-L166 HydrophobicContact CZ-CD1 4.31Å |
| 127 | F | 92.6 | Very high | 89 | Confident | 114 Ų | 114 | 47 Ų | 47 | 50% | 0.5 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -81 | -22.6 | -177.4 | -75 | -63.9 | 0 | 0 | 0 | 113.6 | L123 L124 L130 A131 | L123-F127 HydrophobicContact CB-CD2 4.23Å; L123-F127 HydrophobicContact CB-CE2 4.37Å; L123-F127 HydrophobicContact CD2-CE2 4.03Å; L123-F127 WeakPolarHBondContact O-CB 3.42Å; L123-F127 WeakPolarHBondContact O-CD2 3.29Å; L123-F127 PolarHBondContact O-N 3.29Å; L124-F127 PolarHBondContact O-N 3.28Å; F127-L130 HydrophobicContact CD1-CD1 4.11Å; F127-L130 PolarHBondContact O-N 3.31Å; F127-A131 WeakPolarHBondContact O-CB 3.33Å; F127-A131 PolarHBondContact O-N 3.2Å |
| 128 | T | 93.4 | Very high | 89.2 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57 | -52.2 | 179.7 | -1.1 | 0 | 0 | 0 | 0 | 114.3 | L124 V125 L130 A131 F132 V199 W203 | L124-T128 PolarHBondContact O-N 3.25Å; L124-T128 PolarHBondContact O-OG1 3.21Å; V125-T128 PolarHBondContact O-OG1 3.15Å; T128-L130 VanDerWaalsContact C-N 3.26Å; T128-L130 PolarHBondContact O-N 3.42Å; T128-A131 WeakPolarHBondContact O-CB 3.48Å; T128-A131 PolarHBondContact O-N 3.28Å; T128-A131 VanDerWaalsContact O-N 3.17Å; T128-F132 PolarHBondContact O-N 3.17Å; T128-V199 HydrophobicContact CG2-CG1 3.77Å; T128-W203 HydrophobicContact CG2-CZ2 3.92Å |
| 129 | P | 92.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.2 | -33.4 | -179.6 | -21.1 | 32.7 | 0 | 0 | 0 | 112.4 | V125 F132 L133 L162 L228 V229 L232 | V125-P129 WeakPolarHBondContact O-CD 3.31Å; P129-F132 PolarHBondContact O-N 3.28Å; P129-L133 WeakPolarHBondContact O-CG 3.49Å; P129-L133 PolarHBondContact O-N 3.09Å; P129-L162 HydrophobicContact CB-CD2 4.1Å; P129-L162 HydrophobicContact CG-CD2 4.09Å; P129-L228 HydrophobicContact CG-CD2 4.09Å; P129-L228 HydrophobicContact CG-CG 4.46Å; P129-V229 HydrophobicContact CB-CG2 3.55Å; P129-V229 HydrophobicContact CG-CG2 3.64Å; P129-L232 HydrophobicContact CG-CD1 4.37Å |
| 130 | L | 92.1 | Very high | 89.4 | Confident | 60 Ų | 60 | 49.8 Ų | 49.8 | 31% | 0.314 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 173.9 | -67.5 | 173.3 | 0 | 0 | 0 | 111.1 | F126 F127 T128 F132 L133 V134 L162 | F126-L130 HydrophobicContact CD1-CD1 4.32Å; F126-L130 HydrophobicContact CE1-CD1 3.82Å; F126-L130 HydrophobicContact CZ-CD1 4.23Å; F127-L130 HydrophobicContact CD1-CD1 4.11Å; F127-L130 PolarHBondContact O-N 3.31Å; T128-L130 VanDerWaalsContact C-N 3.26Å; T128-L130 PolarHBondContact O-N 3.42Å; L130-F132 VanDerWaalsContact C-N 3.31Å; L130-F132 PolarHBondContact O-N 3.27Å; L130-L133 PolarHBondContact O-N 3.45Å; L130-V134 WeakPolarHBondContact O-CB 3.36Å; L130-V134 WeakPolarHBondContact O-CG2 3.34Å; L130-V134 PolarHBondContact O-N 3.45Å; L130-L162 HydrophobicContact CD2-CD1 3.6Å; L130-L162 HydrophobicContact CG-CD1 4Å |
| 131 | A | 91.8 | Very high | 88.9 | Confident | 27 Ų | 27 | 48.1 Ų | 48.1 | 22% | 0.223 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | F127 T128 L133 V134 L135 W203 | F127-A131 WeakPolarHBondContact O-CB 3.33Å; F127-A131 PolarHBondContact O-N 3.2Å; T128-A131 WeakPolarHBondContact O-CB 3.48Å; T128-A131 PolarHBondContact O-N 3.28Å; T128-A131 VanDerWaalsContact O-N 3.17Å; A131-L133 VanDerWaalsContact C-N 3.27Å; A131-L133 PolarHBondContact O-N 2.67Å; A131-V134 PolarHBondContact O-N 2.95Å; A131-L135 HydrophobicContact CB-CD1 4.37Å; A131-L135 WeakPolarHBondContact O-CB 3.35Å; A131-L135 PolarHBondContact O-N 2.96Å; A131-W203 HydrophobicContact CB-CH2 4.32Å; A131-W203 HydrophobicContact CB-CZ2 4.33Å |
| 132 | F | 91.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -30.7 | 179.1 | -75.7 | 7.4 | 0 | 0 | 0 | 113.8 | T128 P129 L130 P136 W203 Y206 Y224 A225 L228 | T128-F132 PolarHBondContact O-N 3.17Å; P129-F132 PolarHBondContact O-N 3.28Å; L130-F132 VanDerWaalsContact C-N 3.31Å; L130-F132 PolarHBondContact O-N 3.27Å; F132-P136 WeakPolarHBondContact O-CD 3.4Å; F132-W203 HydrophobicContact CD1-CH2 4.38Å; F132-W203 HydrophobicContact CD1-CZ2 4.47Å; F132-W203 AromaticContact CE1-CD2 3.69Å; F132-W203 HydrophobicContact CE1-CD2 3.69Å; F132-W203 AromaticContact CE1-CE2 3.78Å; F132-W203 AromaticContact CE1-CE3 3.78Å; F132-W203 HydrophobicContact CE1-CE3 3.78Å; F132-W203 HydrophobicContact CE1-CG 4.26Å; F132-W203 HydrophobicContact CE1-CH2 4.03Å; F132-W203 AromaticContact CE1-CZ2 3.94Å; F132-W203 HydrophobicContact CE1-CZ2 3.94Å; F132-W203 AromaticContact CE1-CZ3 3.95Å; F132-W203 HydrophobicContact CE1-CZ3 3.95Å; F132-W203 HydrophobicContact CZ-CD2 4.18Å; F132-W203 HydrophobicContact CZ-CG 4.28Å; F132-Y206 HydrophobicContact CB-CD2 4.22Å; F132-Y206 HydrophobicContact CB-CE2 3.72Å; F132-Y206 AromaticContact CD1-CD1 3.96Å; F132-Y206 HydrophobicContact CD1-CD1 3.96Å; F132-Y206 AromaticContact CD1-CD2 3.8Å; F132-Y206 HydrophobicContact CD1-CD2 3.8Å; F132-Y206 HydrophobicContact CD1-CE1 4.02Å; F132-Y206 AromaticContact CD1-CE2 3.87Å; F132-Y206 HydrophobicContact CD1-CE2 3.87Å; F132-Y206 AromaticContact CD1-CG 3.86Å; F132-Y206 HydrophobicContact CD1-CG 3.86Å; F132-Y206 AromaticContact CD1-CZ 3.99Å; F132-Y206 AromaticContact CD2-CD2 3.7Å; F132-Y206 HydrophobicContact CD2-CD2 3.7Å; F132-Y206 HydrophobicContact CD2-CE2 4.1Å; F132-Y206 HydrophobicContact CD2-CG 4.28Å; F132-Y206 AromaticContact CE1-CD1 3.85Å; F132-Y206 HydrophobicContact CE1-CD1 3.85Å; F132-Y206 HydrophobicContact CE1-CD2 4.01Å; F132-Y206 HydrophobicContact CE1-CE1 4.35Å; F132-Y206 AromaticContact CE1-CG 3.67Å; F132-Y206 HydrophobicContact CE1-CG 3.67Å; F132-Y206 AromaticContact CE2-CD2 3.91Å; F132-Y206 HydrophobicContact CE2-CD2 3.91Å; F132-Y206 HydrophobicContact CE2-CG 4.1Å; F132-Y206 AromaticContact CG-CD2 3.64Å; F132-Y206 HydrophobicContact CG-CD2 3.64Å; F132-Y206 AromaticContact CG-CE2 3.64Å; F132-Y206 HydrophobicContact CG-CE2 3.64Å; F132-Y206 HydrophobicContact CG-CG 4.17Å; F132-Y206 HydrophobicContact CZ-CD1 4.41Å; F132-Y206 HydrophobicContact CZ-CD2 4.07Å; F132-Y206 AromaticContact CZ-CG 3.8Å; F132-Y206 HydrophobicContact CZ-CG 3.8Å; F132-Y206 PolarHBondContact O-OH 3.41Å; F132-Y224 HydrophobicContact CD2-CD1 4.2Å; F132-Y224 HydrophobicContact CD2-CE1 4.21Å; F132-Y224 HydrophobicContact CE2-CD1 4.25Å; F132-Y224 AromaticContact CE2-CE1 3.79Å; F132-Y224 HydrophobicContact CE2-CE1 3.79Å; F132-A225 HydrophobicContact CB-CB 4.25Å; F132-L228 HydrophobicContact CD2-CD2 4.04Å; F132-L228 HydrophobicContact CE2-CD2 3.75Å; F132-L228 HydrophobicContact CZ-CD2 4.44Å |
| 133 | L | 90 | Very high | 87.8 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -81.1 | -36.5 | 176.5 | -65 | 174.5 | 0 | 0 | 0 | 112.4 | P129 L130 A131 F155 V158 Y218 V222 A225 | P129-L133 WeakPolarHBondContact O-CG 3.49Å; P129-L133 PolarHBondContact O-N 3.09Å; L130-L133 PolarHBondContact O-N 3.45Å; A131-L133 VanDerWaalsContact C-N 3.27Å; A131-L133 PolarHBondContact O-N 2.67Å; L133-F155 HydrophobicContact CD1-CE1 4.17Å; L133-F155 HydrophobicContact CD2-CE1 4.05Å; L133-V158 HydrophobicContact CD1-CG1 4.02Å; L133-Y218 PolarHBondContact O-OH 2.77Å; L133-V222 HydrophobicContact CD2-CB 4.23Å; L133-V222 HydrophobicContact CD2-CG1 4.23Å; L133-V222 HydrophobicContact CD2-CG2 3.84Å; L133-A225 HydrophobicContact CD2-CB 3.87Å; L133-A225 HydrophobicContact CG-CB 4.15Å |
| 134 | V | 89.9 | Confident | 87.3 | Confident | 74 Ų | 74 | 57.1 Ų | 57.1 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -87.2 | -34.8 | -173.6 | 175.7 | 0 | 0 | 0 | 0 | 112.8 | L130 A131 P136 H137 I138 | L130-V134 WeakPolarHBondContact O-CB 3.36Å; L130-V134 WeakPolarHBondContact O-CG2 3.34Å; L130-V134 PolarHBondContact O-N 3.45Å; A131-V134 PolarHBondContact O-N 2.95Å; V134-P136 VanDerWaalsContact C-CD 3.49Å; V134-H137 PolarHBondContact O-N 2.89Å; V134-I138 HydrophobicContact CG1-CD1 3.64Å; V134-I138 HydrophobicContact CG1-CG1 4.14Å; V134-I138 PolarHBondContact O-N 2.87Å |
| 135 | L | 89.1 | Confident | 86.8 | Confident | 46 Ų | 46 | 58.9 Ų | 58.9 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -52.2 | -49.1 | -177.9 | -119.5 | 89.3 | 0 | 0 | 0 | 113.5 | A131 H137 I138 L139 Y206 L211 | A131-L135 HydrophobicContact CB-CD1 4.37Å; A131-L135 WeakPolarHBondContact O-CB 3.35Å; A131-L135 PolarHBondContact O-N 2.96Å; L135-H137 VanDerWaalsContact C-N 3.25Å; L135-H137 PolarHBondContact O-N 2.85Å; L135-I138 PolarHBondContact O-N 3.43Å; L135-L139 HydrophobicContact CB-CD1 4.15Å; L135-L139 HydrophobicContact CD2-CD1 3.57Å; L135-L139 HydrophobicContact CG-CD1 3.75Å; L135-L139 WeakPolarHBondContact O-CD1 3.29Å; L135-L139 PolarHBondContact O-N 3Å; L135-Y206 HydrophobicContact CD2-CE1 4.28Å; L135-L211 HydrophobicContact CD2-CD1 3.88Å; L135-L211 HydrophobicContact CD2-CD2 3.67Å; L135-L211 HydrophobicContact CD2-CG 4.41Å |
| 136 | P | 86.4 | Confident | 86 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.9 | -34.4 | -177 | -22 | 33.4 | 0 | 0 | 0 | 112.6 | F132 V134 I138 W140 L144 Y206 I221 | F132-P136 WeakPolarHBondContact O-CD 3.4Å; V134-P136 VanDerWaalsContact C-CD 3.49Å; P136-I138 VanDerWaalsContact C-N 3.3Å; P136-I138 PolarHBondContact O-N 3.32Å; P136-W140 PolarHBondContact O-N 3.43Å; P136-L144 HydrophobicContact CB-CD1 3.91Å; P136-Y206 WeakPolarHBondContact CD-OH 3.5Å; P136-Y206 WeakPolarHBondContact CG-OH 3.38Å; P136-I221 HydrophobicContact CB-CD1 4.25Å; P136-I221 HydrophobicContact CG-CD1 4.06Å; P136-I221 HydrophobicContact CG-CG2 4.12Å |
| 137 | H | 84.3 | Confident | 85.3 | Confident | 95 Ų | 95 | 64.2 Ų | 64.2 | 44% | 0.44 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.4 | -27.7 | 176 | -84.1 | -59.6 | 0 | 0 | 0 | 113.2 | V134 L135 Y218 | V134-H137 PolarHBondContact O-N 2.89Å; L135-H137 VanDerWaalsContact C-N 3.25Å; L135-H137 PolarHBondContact O-N 2.85Å; H137-Y218 AromaticContact CD2-CZ 3.82Å; H137-Y218 PolarHBondContact CD2-OH 3.05Å; H137-Y218 VanDerWaalsContact CD2-OH 3.27Å; H137-Y218 AromaticContact NE2-CE1 3.74Å; H137-Y218 AromaticContact NE2-CZ 3.37Å; H137-Y218 PolarHBondContact NE2-OH 2.65Å; H137-Y218 VanDerWaalsContact NE2-OH 3.09Å |
| 138 | I | 86.6 | Confident | 84.9 | Confident | 128 Ų | 128 | 60.7 Ų | 60.7 | 66% | 0.656 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -84.8 | -40.2 | 178.7 | -62.6 | 175.3 | 0 | 0 | 0 | 111.2 | V134 L135 P136 | V134-I138 HydrophobicContact CG1-CD1 3.64Å; V134-I138 HydrophobicContact CG1-CG1 4.14Å; V134-I138 PolarHBondContact O-N 2.87Å; L135-I138 PolarHBondContact O-N 3.43Å; P136-I138 VanDerWaalsContact C-N 3.3Å; P136-I138 PolarHBondContact O-N 3.32Å |
| 139 | L | 84.8 | Confident | 84.3 | Confident | 98 Ų | 98 | 66.2 Ų | 66.2 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -80.4 | -37.1 | -171.6 | -82.2 | 142.7 | 0 | 0 | 0 | 113.8 | L135 L211 | L135-L139 HydrophobicContact CB-CD1 4.15Å; L135-L139 HydrophobicContact CD2-CD1 3.57Å; L135-L139 HydrophobicContact CG-CD1 3.75Å; L135-L139 WeakPolarHBondContact O-CD1 3.29Å; L135-L139 PolarHBondContact O-N 3Å; L139-L211 HydrophobicContact CD1-CD2 4Å |
| 140 | W | 84.3 | Confident | 83.9 | Confident | 27 Ų | 27 | 69 Ų | 69 | 10% | 0.102 | 39% | 0.392 | C | S | . | . | trans | -152.2 | 66 | -178.9 | 41.6 | 61.7 | 0 | 0 | 0 | 112.7 | P136 E142 K143 I210 L211 Q214 | P136-W140 PolarHBondContact O-N 3.43Å; W140-E142 PolarHBondContact O-N 2.71Å; W140-E142 VanDerWaalsContact O-N 3.15Å; W140-K143 HydrophobicContact CB-CB 4.31Å; W140-K143 HydrophobicContact CB-CD 4.37Å; W140-K143 HydrophobicContact CB-CG 4.39Å; W140-K143 PolarHBondContact O-N 2.85Å; W140-I210 WeakPolarHBondContact CZ2-O 3.26Å; W140-L211 HydrophobicContact CH2-CD2 4.26Å; W140-L211 WeakPolarHBondContact CH2-O 3.4Å; W140-L211 HydrophobicContact CZ2-CD2 4.36Å; W140-Q214 HydrophobicContact CD2-CB 4.33Å; W140-Q214 HydrophobicContact CE3-CB 4.13Å; W140-Q214 HydrophobicContact CE3-CG 3.85Å; W140-Q214 HydrophobicContact CH2-CB 3.96Å; W140-Q214 HydrophobicContact CH2-CG 3.68Å; W140-Q214 HydrophobicContact CZ2-CB 4.12Å; W140-Q214 HydrophobicContact CZ2-CG 4.35Å; W140-Q214 HydrophobicContact CZ3-CB 3.96Å; W140-Q214 HydrophobicContact CZ3-CG 3.38Å | ||
| 141 | P | 78.4 | Confident | 83.5 | Confident | 73 Ų | 73 | 66.2 Ų | 66.2 | 47% | 0.474 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -56.6 | -34.4 | -179 | 22 | -32.7 | 0 | 0 | 0 | 113.3 | K143 | P141-K143 PolarHBondContact O-N 3.36Š|
| 142 | E | 76.8 | Confident | 83.3 | Confident | 184 Ų | 184 | 70.4 Ų | 70.4 | 86% | 0.86 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -76.4 | -16.4 | -175 | -58.1 | -61.2 | 160.6 | 0 | 0 | 114.5 | W140 | W140-E142 PolarHBondContact O-N 2.71Å; W140-E142 VanDerWaalsContact O-N 3.15Å |
| 143 | K | 75.1 | Confident | 83.1 | Confident | 105 Ų | 105 | 72.4 Ų | 72.4 | 46% | 0.457 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -98.5 | -6.2 | -178.2 | -63 | -171.2 | -179.9 | -174.4 | 0 | 113.4 | W140 P141 | W140-K143 HydrophobicContact CB-CB 4.31Å; W140-K143 HydrophobicContact CB-CD 4.37Å; W140-K143 HydrophobicContact CB-CG 4.39Å; W140-K143 PolarHBondContact O-N 2.85Å; P141-K143 PolarHBondContact O-N 3.36Å |
| 144 | L | 80.1 | Confident | 83 | Confident | 26 Ų | 26 | 73.5 Ų | 73.5 | 14% | 0.136 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -85.5 | 126.3 | -168.5 | -144.4 | 77.4 | 0 | 0 | 0 | 110.5 | P136 Y218 | P136-L144 HydrophobicContact CB-CD1 3.91Å; L144-Y218 HydrophobicContact CD1-CD2 4.3Å; L144-Y218 HydrophobicContact CD2-CD1 4.43Å; L144-Y218 HydrophobicContact CD2-CD2 3.55Å; L144-Y218 HydrophobicContact CD2-CE2 3.93Å; L144-Y218 HydrophobicContact CD2-CG 3.83Å; L144-Y218 HydrophobicContact CG-CD2 4.11Å; L144-Y218 HydrophobicContact CG-CG 4.24Å |
| 145 | Q | 80.2 | Confident | 82.9 | Confident | 108 Ų | 108 | 73.1 Ų | 73.1 | 51% | 0.505 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 141.1 | 176.8 | -68.3 | 179.1 | 1.4 | 0 | 0 | 111.5 | C147 E216 | Q145-C147 PolarHBondContact O-N 3.43Å; Q145-E216 HydrophobicContact CG-CB 4.47Å; Q145-E216 PolarHBondContact N-O 3.46Å; Q145-E216 VanDerWaalsContact N-O 3.12Å |
| 146 | S | 74.6 | Confident | 83 | Confident | 122 Ų | 122 | 76 Ų | 76 | 85% | 0.853 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 127.7 | 177.4 | -51.4 | 0 | 0 | 0 | 0 | 111.4 | G148 | S146-G148 PolarHBondContact O-N 2.91Š|
| 147 | C | 77.6 | Confident | 83.2 | Confident | 44 Ų | 44 | 77.9 Ų | 77.9 | 30% | 0.297 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 121.5 | 177.8 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | Q145 C151 Y218 | Q145-C147 PolarHBondContact O-N 3.43Å; C147-C151 HydrophobicContact CB-CB 4.07Å; C147-C151 WeakPolarHBondContact CB-SG 3.33Å; C147-C151 WeakPolarHBondContact SG-CB 3.37Å; C147-C151 CovalentContact SG-SG 2.03Å; C147-C151 PolarHBondContact SG-SG 3.36Å; C147-Y218 HydrophobicContact CB-CD1 4.14Å |
| 148 | G | 82.6 | Confident | 83.5 | Confident | 40 Ų | 40 | 73.5 Ų | 73.5 | 41% | 0.412 | 42% | 0.418 | S | S | . | . | trans | -79.3 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S146 A150 C151 E152 | S146-G148 PolarHBondContact O-N 2.91Å; G148-A150 PolarHBondContact O-N 2.92Å; G148-A150 VanDerWaalsContact O-N 3.15Å; G148-C151 WeakPolarHBondContact O-CA 3.28Å; G148-C151 WeakPolarHBondContact O-CB 3.47Å; G148-C151 PolarHBondContact O-N 3.46Å; G148-E152 PolarHBondContact O-N 3.3Å; G148-E152 VanDerWaalsContact O-N 3.16Å | ||
| 149 | T | 82.5 | Confident | 83.8 | Confident | 120 Ų | 120 | 70.3 Ų | 70.3 | 74% | 0.736 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -57.1 | -31.6 | -178.6 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | C151 E152 G153 | T149-C151 VanDerWaalsContact C-N 3.31Å; T149-C151 PolarHBondContact O-N 3.29Å; T149-E152 PolarHBondContact O-N 3.03Å; T149-G153 PolarHBondContact O-N 2.94Å |
| 150 | A | 82.8 | Confident | 84.2 | Confident | 59 Ų | 59 | 72.3 Ų | 72.3 | 49% | 0.488 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.3 | -35 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G148 G153 L154 | G148-A150 PolarHBondContact O-N 2.92Å; G148-A150 VanDerWaalsContact O-N 3.15Å; A150-G153 PolarHBondContact O-N 3.1Å; A150-L154 PolarHBondContact O-N 3.36Å |
| 151 | C | 84.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -76.8 | -35.4 | 179.2 | 160.2 | 0 | 0 | 0 | 0 | 111 | C147 G148 T149 G153 L154 F155 Q219 | C147-C151 HydrophobicContact CB-CB 4.07Å; C147-C151 WeakPolarHBondContact CB-SG 3.33Å; C147-C151 WeakPolarHBondContact SG-CB 3.37Å; C147-C151 CovalentContact SG-SG 2.03Å; C147-C151 PolarHBondContact SG-SG 3.36Å; G148-C151 WeakPolarHBondContact O-CA 3.28Å; G148-C151 WeakPolarHBondContact O-CB 3.47Å; G148-C151 PolarHBondContact O-N 3.46Å; T149-C151 VanDerWaalsContact C-N 3.31Å; T149-C151 PolarHBondContact O-N 3.29Å; C151-G153 VanDerWaalsContact C-N 3.3Å; C151-G153 PolarHBondContact O-N 3.24Å; C151-L154 WeakPolarHBondContact O-CB 3.49Å; C151-L154 PolarHBondContact O-N 2.69Å; C151-L154 VanDerWaalsContact O-N 3.07Å; C151-F155 VanDerWaalsContact O-CD2 3.23Å; C151-F155 WeakPolarHBondContact O-CD2 3.33Å; C151-F155 PolarHBondContact O-N 3.35Å; C151-F155 VanDerWaalsContact O-N 3.12Å; C151-Q219 HydrophobicContact CB-CB 4.31Å; C151-Q219 HydrophobicContact CB-CG 4.29Å |
| 152 | E | 85.9 | Confident | 85.2 | Confident | 116 Ų | 116 | 70 Ų | 70 | 54% | 0.542 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.3 | -40.4 | 168.9 | -63.5 | -174.1 | 154.5 | 0 | 0 | 112.5 | G148 T149 L154 F155 I156 | G148-E152 PolarHBondContact O-N 3.3Å; G148-E152 VanDerWaalsContact O-N 3.16Å; T149-E152 PolarHBondContact O-N 3.03Å; E152-L154 VanDerWaalsContact C-N 3.3Å; E152-L154 PolarHBondContact O-N 3.38Å; E152-F155 WeakPolarHBondContact O-CB 3.05Å; E152-F155 PolarHBondContact O-N 3.35Å; E152-I156 PolarHBondContact O-N 2.9Å |
| 153 | G | 88.1 | Confident | 85.9 | Confident | 41 Ų | 41 | 65.9 Ų | 65.9 | 42% | 0.423 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.2 | -35.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T149 A150 C151 I156 S157 | T149-G153 PolarHBondContact O-N 2.94Å; A150-G153 PolarHBondContact O-N 3.1Å; C151-G153 VanDerWaalsContact C-N 3.3Å; C151-G153 PolarHBondContact O-N 3.24Å; G153-I156 PolarHBondContact O-N 3.34Å; G153-S157 PolarHBondContact O-N 3.21Å; G153-S157 VanDerWaalsContact O-N 3.14Å |
| 154 | L | 88.8 | Confident | 86.6 | Confident | 37 Ų | 37 | 64.3 Ų | 64.3 | 19% | 0.194 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.6 | -35.7 | 175.6 | -65.9 | 170.1 | 0 | 0 | 0 | 111.8 | A150 C151 E152 I156 S157 V158 Q219 V222 Q223 V226 | A150-L154 PolarHBondContact O-N 3.36Å; C151-L154 WeakPolarHBondContact O-CB 3.49Å; C151-L154 PolarHBondContact O-N 2.69Å; C151-L154 VanDerWaalsContact O-N 3.07Å; E152-L154 VanDerWaalsContact C-N 3.3Å; E152-L154 PolarHBondContact O-N 3.38Å; L154-I156 PolarHBondContact O-N 3.46Å; L154-S157 WeakPolarHBondContact O-CB 3.31Å; L154-S157 PolarHBondContact O-N 3.25Å; L154-V158 WeakPolarHBondContact O-CG2 3.43Å; L154-V158 PolarHBondContact O-N 2.77Å; L154-Q219 HydrophobicContact CD1-CG 4.48Å; L154-V222 HydrophobicContact CB-CG1 3.57Å; L154-V222 HydrophobicContact CD1-CG1 4.16Å; L154-Q223 HydrophobicContact CD1-CG 3.51Å; L154-V226 HydrophobicContact CB-CG2 4.39Å; L154-V226 HydrophobicContact CD2-CG2 4.27Å |
| 155 | F | 87.9 | Confident | 87 | Confident | 67 Ų | 67 | 63.4 Ų | 63.4 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 174.2 | -80.5 | -67.6 | 0 | 0 | 0 | 112.8 | L133 C151 E152 S157 V158 A159 Y218 V222 | L133-F155 HydrophobicContact CD1-CE1 4.17Å; L133-F155 HydrophobicContact CD2-CE1 4.05Å; C151-F155 VanDerWaalsContact O-CD2 3.23Å; C151-F155 WeakPolarHBondContact O-CD2 3.33Å; C151-F155 PolarHBondContact O-N 3.35Å; C151-F155 VanDerWaalsContact O-N 3.12Å; E152-F155 WeakPolarHBondContact O-CB 3.05Å; E152-F155 PolarHBondContact O-N 3.35Å; F155-S157 VanDerWaalsContact C-N 3.29Å; F155-S157 PolarHBondContact O-N 3.17Å; F155-V158 PolarHBondContact O-N 3.01Å; F155-A159 WeakPolarHBondContact O-CB 3.18Å; F155-A159 PolarHBondContact O-N 3.1Å; F155-Y218 AromaticContact CE2-CE1 3.84Å; F155-Y218 HydrophobicContact CE2-CE1 3.84Å; F155-Y218 AromaticContact CZ-CE1 3.45Å; F155-Y218 HydrophobicContact CZ-CE1 3.45Å; F155-Y218 VanDerWaalsContact CZ-CE1 3.45Å; F155-Y218 AromaticContact CZ-CZ 3.71Å; F155-Y218 WeakPolarHBondContact CZ-OH 3.42Å; F155-V222 HydrophobicContact CE1-CG2 4.27Å; F155-V222 HydrophobicContact CE2-CG2 4.01Å; F155-V222 HydrophobicContact CZ-CG1 4.47Å; F155-V222 HydrophobicContact CZ-CG2 3.59Å |
| 156 | I | 89.9 | Confident | 87.4 | Confident | 105 Ų | 105 | 62.3 Ų | 62.3 | 54% | 0.538 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 175.6 | -62.5 | 170.7 | 0 | 0 | 0 | 109.7 | E152 G153 L154 A159 F160 | E152-I156 PolarHBondContact O-N 2.9Å; G153-I156 PolarHBondContact O-N 3.34Å; L154-I156 PolarHBondContact O-N 3.46Å; I156-A159 PolarHBondContact O-N 2.83Å; I156-F160 HydrophobicContact CG2-CD2 3.78Å; I156-F160 HydrophobicContact CG2-CE2 3.68Å; I156-F160 VanDerWaalsContact O-CD2 3.29Å; I156-F160 WeakPolarHBondContact O-CD2 3.35Å; I156-F160 PolarHBondContact O-N 3.35Å; I156-F160 VanDerWaalsContact O-N 3.08Å |
| 157 | S | 90.7 | Very high | 87.9 | Confident | 40 Ų | 40 | 61.3 Ų | 61.3 | 28% | 0.28 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 176.4 | -173.5 | 0 | 0 | 0 | 0 | 112.3 | G153 L154 F155 A159 F160 K161 | G153-S157 PolarHBondContact O-N 3.21Å; G153-S157 VanDerWaalsContact O-N 3.14Å; L154-S157 WeakPolarHBondContact O-CB 3.31Å; L154-S157 PolarHBondContact O-N 3.25Å; F155-S157 VanDerWaalsContact C-N 3.29Å; F155-S157 PolarHBondContact O-N 3.17Å; S157-A159 PolarHBondContact O-N 3.44Å; S157-F160 PolarHBondContact O-N 3.45Å; S157-K161 WeakPolarHBondContact O-CB 2.93Å; S157-K161 VanDerWaalsContact O-CG 3.23Å; S157-K161 WeakPolarHBondContact O-CG 3.18Å; S157-K161 PolarHBondContact O-N 2.85Å; S157-K161 WeakPolarHBondContact OG-CE 3.2Å |
| 158 | V | 92 | Very high | 88.1 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.024 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 176.3 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | L133 L154 F155 F160 K161 L162 V226 | L133-V158 HydrophobicContact CD1-CG1 4.02Å; L154-V158 WeakPolarHBondContact O-CG2 3.43Å; L154-V158 PolarHBondContact O-N 2.77Å; F155-V158 PolarHBondContact O-N 3.01Å; V158-F160 PolarHBondContact O-N 3.29Å; V158-K161 PolarHBondContact O-N 3.22Å; V158-L162 HydrophobicContact CG1-CD1 3.65Å; V158-L162 HydrophobicContact CG1-CG 3.9Å; V158-L162 WeakPolarHBondContact O-CB 3.36Å; V158-L162 WeakPolarHBondContact O-CG 3.33Å; V158-L162 PolarHBondContact O-N 3.43Å; V158-V226 HydrophobicContact CG2-CB 4.36Å; V158-V226 HydrophobicContact CG2-CG2 3.27Å |
| 159 | A | 92.1 | Very high | 88 | Confident | 61 Ų | 61 | 59 Ų | 59 | 50% | 0.504 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.3 | -47.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F155 I156 S157 L162 L163 | F155-A159 WeakPolarHBondContact O-CB 3.18Å; F155-A159 PolarHBondContact O-N 3.1Å; I156-A159 PolarHBondContact O-N 2.83Å; S157-A159 PolarHBondContact O-N 3.44Å; A159-L162 PolarHBondContact O-N 2.87Å; A159-L163 WeakPolarHBondContact O-CB 3.38Å; A159-L163 PolarHBondContact O-N 3.34Å |
| 160 | F | 92.2 | Very high | 88 | Confident | 140 Ų | 140 | 60.6 Ų | 60.6 | 61% | 0.614 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.5 | -43.8 | 175.7 | -82 | -70 | 0 | 0 | 0 | 112.3 | I156 S157 V158 L162 L163 I164 | I156-F160 HydrophobicContact CG2-CD2 3.78Å; I156-F160 HydrophobicContact CG2-CE2 3.68Å; I156-F160 VanDerWaalsContact O-CD2 3.29Å; I156-F160 WeakPolarHBondContact O-CD2 3.35Å; I156-F160 PolarHBondContact O-N 3.35Å; I156-F160 VanDerWaalsContact O-N 3.08Å; S157-F160 PolarHBondContact O-N 3.45Å; V158-F160 PolarHBondContact O-N 3.29Å; F160-L162 PolarHBondContact O-N 3.49Å; F160-L163 PolarHBondContact O-N 3.44Å; F160-I164 WeakPolarHBondContact O-CG1 3.37Å; F160-I164 PolarHBondContact O-N 3.03Å |
| 161 | K | 93.6 | Very high | 87.6 | Confident | 39 Ų | 39 | 60.1 Ų | 60.1 | 17% | 0.17 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 179.3 | -70.7 | 175.6 | -178.1 | -176.7 | 0 | 112.2 | S157 V158 I164 L165 V229 D230 L233 | S157-K161 WeakPolarHBondContact O-CB 2.93Å; S157-K161 VanDerWaalsContact O-CG 3.23Å; S157-K161 WeakPolarHBondContact O-CG 3.18Å; S157-K161 PolarHBondContact O-N 2.85Å; S157-K161 WeakPolarHBondContact OG-CE 3.2Å; V158-K161 PolarHBondContact O-N 3.22Å; K161-I164 PolarHBondContact O-N 3.39Å; K161-L165 WeakPolarHBondContact O-CB 3.19Å; K161-L165 PolarHBondContact O-N 2.9Å; K161-V229 HydrophobicContact CB-CG1 3.48Å; K161-V229 VanDerWaalsContact CB-CG1 3.48Å; K161-V229 HydrophobicContact CD-CG1 4.31Å; K161-V229 HydrophobicContact CG-CG1 4.47Å; K161-D230 WeakPolarHBondContact CD-OD1 3.45Å; K161-D230 WeakPolarHBondContact CE-OD1 3.45Å; K161-D230 IonicContact NZ-OD1 3.09Å; K161-D230 PolarHBondContact NZ-OD1 3.43Å; K161-D230 IonicContact NZ-OD2 3.91Å; K161-D230 PolarHBondContact NZ-OD2 2.95Å; K161-L233 HydrophobicContact CB-CD1 3.87Å; K161-L233 HydrophobicContact CD-CD1 4.48Å; K161-L233 HydrophobicContact CG-CD1 4Å |
| 162 | L | 91 | Very high | 86.9 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67 | -36.2 | 174.1 | -76.4 | -179.3 | 0 | 0 | 0 | 112.3 | F126 P129 L130 V158 A159 F160 L165 L166 V229 | F126-L162 HydrophobicContact CE2-CB 4.44Å; P129-L162 HydrophobicContact CB-CD2 4.1Å; P129-L162 HydrophobicContact CG-CD2 4.09Å; L130-L162 HydrophobicContact CD2-CD1 3.6Å; L130-L162 HydrophobicContact CG-CD1 4Å; V158-L162 HydrophobicContact CG1-CD1 3.65Å; V158-L162 HydrophobicContact CG1-CG 3.9Å; V158-L162 WeakPolarHBondContact O-CB 3.36Å; V158-L162 WeakPolarHBondContact O-CG 3.33Å; V158-L162 PolarHBondContact O-N 3.43Å; A159-L162 PolarHBondContact O-N 2.87Å; F160-L162 PolarHBondContact O-N 3.49Å; L162-L165 PolarHBondContact O-N 3.36Å; L162-L166 WeakPolarHBondContact O-CB 3.27Å; L162-L166 PolarHBondContact O-N 3.46Å; L162-V229 HydrophobicContact CD2-CG2 4.11Å |
| 163 | L | 91.5 | Very high | 86 | Confident | 98 Ų | 98 | 60.7 Ų | 60.7 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 172.9 | -175.1 | 150.9 | 0 | 0 | 0 | 111.1 | A159 F160 L165 L166 L167 | A159-L163 WeakPolarHBondContact O-CB 3.38Å; A159-L163 PolarHBondContact O-N 3.34Å; F160-L163 PolarHBondContact O-N 3.44Å; L163-L165 VanDerWaalsContact C-N 3.33Å; L163-L165 PolarHBondContact O-N 3.27Å; L163-L166 PolarHBondContact O-N 2.87Å; L163-L167 HydrophobicContact CD2-CD1 3.75Å; L163-L167 HydrophobicContact CD2-CG 4.36Å; L163-L167 WeakPolarHBondContact O-CG 3.24Å; L163-L167 PolarHBondContact O-N 3.03Å |
| 164 | I | 89.8 | Confident | 84.7 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 174.9 | -65.4 | 166.8 | 0 | 0 | 0 | 110.2 | F160 K161 L166 L167 A168 L233 | F160-I164 WeakPolarHBondContact O-CG1 3.37Å; F160-I164 PolarHBondContact O-N 3.03Å; K161-I164 PolarHBondContact O-N 3.39Å; I164-L166 VanDerWaalsContact C-N 3.33Å; I164-L166 PolarHBondContact O-N 3.28Å; I164-L167 PolarHBondContact O-N 3.31Å; I164-A168 VanDerWaalsContact O-CB 3.24Å; I164-A168 WeakPolarHBondContact O-CB 3.37Å; I164-A168 PolarHBondContact O-N 2.82Å; I164-L233 HydrophobicContact CB-CD2 4.38Å; I164-L233 HydrophobicContact CG2-CD2 3.81Å |
| 165 | L | 88.8 | Confident | 83.5 | Confident | 7 Ų | 7 | 69.2 Ų | 69.2 | 4% | 0.037 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 178.7 | -172 | 141.4 | 0 | 0 | 0 | 111.9 | V125 F126 K161 L162 L163 A168 V169 L232 L233 | V125-L165 HydrophobicContact CG1-CD1 4.2Å; V125-L165 HydrophobicContact CG1-CD2 4.15Å; F126-L165 HydrophobicContact CB-CD2 4.28Å; F126-L165 HydrophobicContact CD2-CD2 4.05Å; K161-L165 WeakPolarHBondContact O-CB 3.19Å; K161-L165 PolarHBondContact O-N 2.9Å; L162-L165 PolarHBondContact O-N 3.36Å; L163-L165 VanDerWaalsContact C-N 3.33Å; L163-L165 PolarHBondContact O-N 3.27Å; L165-A168 WeakPolarHBondContact O-CB 3.27Å; L165-A168 PolarHBondContact O-N 2.67Å; L165-V169 HydrophobicContact CD2-CG2 4.04Å; L165-V169 VanDerWaalsContact O-CB 3.27Å; L165-V169 WeakPolarHBondContact O-CB 3.41Å; L165-V169 VanDerWaalsContact O-CG2 3.24Å; L165-V169 WeakPolarHBondContact O-CG2 3.41Å; L165-V169 PolarHBondContact O-N 3Å; L165-L232 HydrophobicContact CD1-CB 3.72Å; L165-L232 HydrophobicContact CD1-CD1 4.21Å; L165-L233 HydrophobicContact CB-CD2 4.08Å |
| 166 | L | 88.5 | Confident | 81.9 | Confident | 84 Ų | 84 | 71 Ų | 71 | 44% | 0.44 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 174.4 | -178 | 68.8 | 0 | 0 | 0 | 111.6 | F126 L162 L163 I164 A168 V169 W170 | F126-L166 HydrophobicContact CD2-CB 4.23Å; F126-L166 HydrophobicContact CD2-CD1 4.14Å; F126-L166 HydrophobicContact CE2-CB 3.87Å; F126-L166 HydrophobicContact CE2-CD1 4Å; F126-L166 HydrophobicContact CE2-CG 4.37Å; F126-L166 HydrophobicContact CZ-CD1 4.31Å; L162-L166 WeakPolarHBondContact O-CB 3.27Å; L162-L166 PolarHBondContact O-N 3.46Å; L163-L166 PolarHBondContact O-N 2.87Å; I164-L166 VanDerWaalsContact C-N 3.33Å; I164-L166 PolarHBondContact O-N 3.28Å; L166-A168 VanDerWaalsContact C-N 3.3Å; L166-A168 PolarHBondContact O-N 3.44Å; L166-V169 PolarHBondContact O-N 3.49Å; L166-W170 VanDerWaalsContact O-CB 3.29Å; L166-W170 WeakPolarHBondContact O-CB 3.22Å; L166-W170 PolarHBondContact O-N 3.27Å |
| 167 | L | 85.6 | Confident | 80.3 | Confident | 102 Ų | 102 | 68.9 Ų | 68.9 | 53% | 0.534 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 176.1 | -69.2 | 176.5 | 0 | 0 | 0 | 111.6 | L163 I164 W170 A171 | L163-L167 HydrophobicContact CD2-CD1 3.75Å; L163-L167 HydrophobicContact CD2-CG 4.36Å; L163-L167 WeakPolarHBondContact O-CG 3.24Å; L163-L167 PolarHBondContact O-N 3.03Å; I164-L167 PolarHBondContact O-N 3.31Å; L167-W170 PolarHBondContact O-N 3.01Å; L167-A171 VanDerWaalsContact O-CB 3.27Å; L167-A171 WeakPolarHBondContact O-CB 3.38Å; L167-A171 PolarHBondContact O-N 3.34Å |
| 168 | A | 80.9 | Confident | 78.5 | Confident | 10 Ų | 10 | 71 Ų | 71 | 8% | 0.083 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.7 | -49.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I164 L165 L166 A171 L172 H236 | I164-A168 VanDerWaalsContact O-CB 3.24Å; I164-A168 WeakPolarHBondContact O-CB 3.37Å; I164-A168 PolarHBondContact O-N 2.82Å; L165-A168 WeakPolarHBondContact O-CB 3.27Å; L165-A168 PolarHBondContact O-N 2.67Å; L166-A168 VanDerWaalsContact C-N 3.3Å; L166-A168 PolarHBondContact O-N 3.44Å; A168-A171 PolarHBondContact O-N 2.79Å; A168-L172 PolarHBondContact O-N 3.5Å; A168-L172 VanDerWaalsContact O-N 3.1Å; A168-H236 VanDerWaalsContact CB-CD2 3.45Å; A168-H236 WeakPolarHBondContact CB-CD2 3.45Å; A168-H236 WeakPolarHBondContact CB-CE1 3.36Å; A168-H236 WeakPolarHBondContact CB-NE2 3.37Å; A168-H236 PolarHBondContact O-CE1 3.35Å |
| 169 | V | 80.5 | Confident | 76.7 | Confident | 26 Ų | 26 | 72.8 Ų | 72.8 | 16% | 0.158 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.1 | -49 | 173.4 | 155.3 | 0 | 0 | 0 | 0 | 109.7 | L165 L166 A171 L172 F173 | L165-V169 HydrophobicContact CD2-CG2 4.04Å; L165-V169 VanDerWaalsContact O-CB 3.27Å; L165-V169 WeakPolarHBondContact O-CB 3.41Å; L165-V169 VanDerWaalsContact O-CG2 3.24Å; L165-V169 WeakPolarHBondContact O-CG2 3.41Å; L165-V169 PolarHBondContact O-N 3Å; L166-V169 PolarHBondContact O-N 3.49Å; V169-A171 PolarHBondContact O-N 3.5Å; V169-L172 PolarHBondContact O-N 3.26Å; V169-F173 HydrophobicContact CB-CD2 4.4Å; V169-F173 HydrophobicContact CB-CE2 4.08Å; V169-F173 HydrophobicContact CG1-CD2 3.63Å; V169-F173 HydrophobicContact CG1-CE2 3.39Å; V169-F173 HydrophobicContact CG2-CE2 4.41Å; V169-F173 WeakPolarHBondContact O-CD2 3.35Å; V169-F173 PolarHBondContact O-N 3.12Å |
| 170 | W | 82.4 | Confident | 74.8 | Confident | 153 Ų | 153 | 70.3 Ų | 70.3 | 58% | 0.58 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.9 | -46.6 | 176.7 | 179.7 | 83.8 | 0 | 0 | 0 | 112.3 | L166 L167 L172 F173 F174 | L166-W170 VanDerWaalsContact O-CB 3.29Å; L166-W170 WeakPolarHBondContact O-CB 3.22Å; L166-W170 PolarHBondContact O-N 3.27Å; L167-W170 PolarHBondContact O-N 3.01Å; W170-L172 VanDerWaalsContact C-N 3.26Å; W170-L172 PolarHBondContact O-N 3.44Å; W170-F173 PolarHBondContact O-N 3.11Å; W170-F174 HydrophobicContact CB-CD2 4.41Å; W170-F174 AromaticContact CD1-CD2 3.12Å; W170-F174 AromaticContact CD1-CE2 3.39Å; W170-F174 AromaticContact CD1-CG 3.85Å; W170-F174 HydrophobicContact CD2-CD2 4.48Å; W170-F174 AromaticContact CG-CD2 3.79Å; W170-F174 HydrophobicContact CG-CD2 3.79Å; W170-F174 HydrophobicContact CG-CE2 4.34Å; W170-F174 AromaticContact NE1-CD2 3.44Å; W170-F174 AromaticContact NE1-CE2 3.87Å; W170-F174 AromaticContact NE1-CG 3.67Å; W170-F174 WeakPolarHBondContact O-CB 3.32Å; W170-F174 WeakPolarHBondContact O-CD2 3.38Å; W170-F174 PolarHBondContact O-N 3.5Å |
| 171 | A | 73.9 | Confident | 72.9 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 40% | 0.397 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.1 | -31.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L167 A168 V169 R175 | L167-A171 VanDerWaalsContact O-CB 3.27Å; L167-A171 WeakPolarHBondContact O-CB 3.38Å; L167-A171 PolarHBondContact O-N 3.34Å; A168-A171 PolarHBondContact O-N 2.79Å; V169-A171 PolarHBondContact O-N 3.5Å; A171-R175 WeakPolarHBondContact O-CB 3.34Å |
| 172 | L | 70.5 | Confident | 70.8 | Confident | 78 Ų | 78 | 67 Ų | 67 | 41% | 0.408 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -78.5 | -40.2 | 175.7 | -72.7 | 175 | 0 | 0 | 0 | 113.1 | A168 V169 W170 H236 | A168-L172 PolarHBondContact O-N 3.5Å; A168-L172 VanDerWaalsContact O-N 3.1Å; V169-L172 PolarHBondContact O-N 3.26Å; W170-L172 VanDerWaalsContact C-N 3.26Å; W170-L172 PolarHBondContact O-N 3.44Å; L172-H236 VanDerWaalsContact CD1-CE1 3.42Å; L172-H236 WeakPolarHBondContact CD1-CE1 3.36Å; L172-H236 WeakPolarHBondContact CD1-ND1 3.43Å |
| 173 | F | 66.3 | Low | 69.2 | Low | 50 Ų | 50 | 74.9 Ų | 74.9 | 22% | 0.219 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -83.1 | -31.6 | -175.5 | -64 | -54 | 0 | 0 | 0 | 114.6 | A118 V119 V169 W170 | A118-F173 HydrophobicContact CB-CD1 3.92Å; A118-F173 HydrophobicContact CB-CE1 3.41Å; A118-F173 VanDerWaalsContact CB-CE1 3.41Å; A118-F173 HydrophobicContact CB-CZ 4.48Å; A118-F173 WeakPolarHBondContact O-CE1 3.17Å; A118-F173 WeakPolarHBondContact O-CZ 3.48Å; V119-F173 HydrophobicContact CG2-CD1 4.46Å; V169-F173 HydrophobicContact CB-CD2 4.4Å; V169-F173 HydrophobicContact CB-CE2 4.08Å; V169-F173 HydrophobicContact CG1-CD2 3.63Å; V169-F173 HydrophobicContact CG1-CE2 3.39Å; V169-F173 HydrophobicContact CG2-CE2 4.41Å; V169-F173 WeakPolarHBondContact O-CD2 3.35Å; V169-F173 PolarHBondContact O-N 3.12Å; W170-F173 PolarHBondContact O-N 3.11Å |
| 174 | F | 61.8 | Low | 67.7 | Low | 129 Ų | 129 | 73.2 Ų | 73.2 | 57% | 0.566 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -95.4 | -2.5 | -177.8 | -70.2 | -88.9 | 0 | 0 | 0 | 113.2 | W170 P176 | W170-F174 HydrophobicContact CB-CD2 4.41Å; W170-F174 AromaticContact CD1-CD2 3.12Å; W170-F174 AromaticContact CD1-CE2 3.39Å; W170-F174 AromaticContact CD1-CG 3.85Å; W170-F174 HydrophobicContact CD2-CD2 4.48Å; W170-F174 AromaticContact CG-CD2 3.79Å; W170-F174 HydrophobicContact CG-CD2 3.79Å; W170-F174 HydrophobicContact CG-CE2 4.34Å; W170-F174 AromaticContact NE1-CD2 3.44Å; W170-F174 AromaticContact NE1-CE2 3.87Å; W170-F174 AromaticContact NE1-CG 3.67Å; W170-F174 WeakPolarHBondContact O-CB 3.32Å; W170-F174 WeakPolarHBondContact O-CD2 3.38Å; W170-F174 PolarHBondContact O-N 3.5Å; F174-P176 VanDerWaalsContact O-CD 3.31Å; F174-P176 WeakPolarHBondContact O-CD 3.33Å |
| 175 | R | 63.5 | Low | 66.5 | Low | 128 Ų | 128 | 73.6 Ų | 73.6 | 48% | 0.483 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -77.1 | 117 | 174.3 | -171.6 | 166.7 | -177.1 | 176.2 | -10.2 | 110.1 | A171 A177 E244 | A171-R175 WeakPolarHBondContact O-CB 3.34Å; R175-A177 PolarHBondContact O-N 3.08Å; R175-E244 IonicContact CZ-OE1 2.87Å; R175-E244 VanDerWaalsContact CZ-OE1 3.26Å; R175-E244 IonicContact CZ-OE2 2.89Å; R175-E244 IonicContact NH1-OE1 2.88Å; R175-E244 PolarHBondContact NH1-OE1 2.88Å; R175-E244 IonicContact NH1-OE2 3.26Å; R175-E244 PolarHBondContact NH1-OE2 2.91Å; R175-E244 IonicContact NH2-OE1 3.52Å; R175-E244 PolarHBondContact NH2-OE1 3.49Å; R175-E244 IonicContact NH2-OE2 3.7Å; R175-E244 PolarHBondContact NH2-OE2 3.43Å |
| 176 | P | 55.3 | Low | 65.8 | Low | 105 Ų | 105 | 78.6 Ų | 78.6 | 68% | 0.682 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 124.7 | 179.4 | 25 | -32.6 | 0 | 0 | 0 | 109.9 | F174 R178 | F174-P176 VanDerWaalsContact O-CD 3.31Å; F174-P176 WeakPolarHBondContact O-CD 3.33Å; P176-R178 PolarHBondContact O-N 2.89Å |
| 177 | A | 56.2 | Low | 65 | Low | 60 Ų | 60 | 78.6 Ų | 78.6 | 50% | 0.496 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -64 | 121.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | R175 A179 Y506 | R175-A177 PolarHBondContact O-N 3.08Å; A177-A179 VanDerWaalsContact C-N 3.32Å; A177-Y506 WeakPolarHBondContact O-CE2 3.35Å |
| 178 | R | 52.1 | Low | 64.6 | Low | 85 Ų | 85 | 79.9 Ų | 79.9 | 32% | 0.321 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -80.4 | -12.2 | -174.7 | -68.9 | -175.5 | 176.8 | -152 | 11.4 | 114.9 | P176 C251 Y506 | P176-R178 PolarHBondContact O-N 2.89Å; R178-C251 PolarHBondContact NH1-SG 3.44Å; R178-C251 PolarHBondContact NH2-SG 3.03Å; R178-Y506 WeakPolarHBondContact O-CD2 3.48Å; R178-Y506 WeakPolarHBondContact O-CE2 3.47Å |
| 179 | A | 53.7 | Low | 64.6 | Low | 42 Ų | 42 | 83.3 Ų | 83.3 | 35% | 0.347 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 130.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | A177 L181 | A177-A179 VanDerWaalsContact C-N 3.32Å; A179-L181 PolarHBondContact O-N 3.29Å |
| 180 | G | 52.3 | Low | 64.7 | Low | 9 Ų | 9 | 87.2 Ų | 87.2 | 9% | 0.093 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 104.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | Y506 | G180-Y506 WeakPolarHBondContact CA-OH 3.34Å; G180-Y506 PolarHBondContact N-OH 3.44Å |
| 181 | L | 52.7 | Low | 64.7 | Low | 63 Ų | 63 | 80.8 Ų | 80.8 | 33% | 0.33 | 41% | 0.412 | S | S | . | . | trans | -89.9 | 137.4 | 165.3 | -67.7 | 170.4 | 0 | 0 | 0 | 107.7 | A179 R183 F185 M509 | A179-L181 PolarHBondContact O-N 3.29Å; L181-R183 PolarHBondContact O-N 3.3Å; L181-F185 HydrophobicContact CD1-CE1 3.85Å; L181-F185 HydrophobicContact CD1-CE2 4.03Å; L181-F185 HydrophobicContact CD1-CZ 3.41Å; L181-F185 VanDerWaalsContact CD1-CZ 3.41Å; L181-M509 HydrophobicContact CD2-CE 3.74Å | ||
| 182 | P | 49.8 | Very low | 65.3 | Low | 47 Ų | 47 | 80.3 Ų | 80.3 | 31% | 0.305 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -63.6 | -25.7 | -179.8 | 23.7 | -31.4 | 0 | 0 | 0 | 111.8 | R110 E511 | R110-P182 PolarHBondContact NH2-O 3.47Å; P182-E511 HydrophobicContact CG-CB 4.22Å; P182-E511 HydrophobicContact CG-CG 3.77Å |
| 183 | R | 56.8 | Low | 66.1 | Low | 176 Ų | 176 | 80 Ų | 80 | 66% | 0.664 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -92.7 | 132.7 | 176.5 | -57.7 | -173.9 | -168.2 | -154.3 | -2 | 111.7 | L181 F185 E511 | L181-R183 PolarHBondContact O-N 3.3Å; R183-F185 PolarHBondContact O-N 2.03Å; R183-E511 IonicContact CZ-OE2 2.66Å; R183-E511 VanDerWaalsContact CZ-OE2 3.3Å; R183-E511 IonicContact NE-OE1 3.3Å; R183-E511 IonicContact NE-OE2 3.18Å; R183-E511 PolarHBondContact NE-OE2 2.94Å; R183-E511 IonicContact NH2-OE2 2.85Å; R183-E511 PolarHBondContact NH2-OE2 3.38Å |
| 184 | V | 60.4 | Low | 67.3 | Low | 63 Ų | 63 | 80.4 Ų | 80.4 | 38% | 0.382 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 129.7 | 171.2 | -169.3 | 0 | 0 | 0 | 0 | 108.4 | V186 I189 | V184-V186 PolarHBondContact O-N 3.44Å; V184-V186 VanDerWaalsContact O-N 3.13Å; V184-I189 HydrophobicContact CB-CD1 3.6Å; V184-I189 HydrophobicContact CB-CG1 4.14Å; V184-I189 HydrophobicContact CG1-CD1 3.56Å; V184-I189 HydrophobicContact CG1-CG1 3.49Å; V184-I189 VanDerWaalsContact CG1-CG1 3.49Å; V184-I189 HydrophobicContact CG2-CD1 4.47Å |
| 185 | F | 65.3 | Low | 68.6 | Low | 81 Ų | 81 | 75.3 Ų | 75.3 | 36% | 0.355 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 118.8 | 177.4 | -74.6 | -84.4 | 0 | 0 | 0 | 110.5 | L181 R183 F187 R188 I189 | L181-F185 HydrophobicContact CD1-CE1 3.85Å; L181-F185 HydrophobicContact CD1-CE2 4.03Å; L181-F185 HydrophobicContact CD1-CZ 3.41Å; L181-F185 VanDerWaalsContact CD1-CZ 3.41Å; R183-F185 PolarHBondContact O-N 2.03Å; F185-F187 PolarHBondContact O-N 3.35Å; F185-F187 VanDerWaalsContact O-N 3.16Å; F185-R188 HydrophobicContact CB-CB 4.19Å; F185-R188 HydrophobicContact CB-CG 3.94Å; F185-R188 WeakPolarHBondContact O-CA 3.36Å; F185-R188 WeakPolarHBondContact O-CB 3.48Å; F185-R188 PolarHBondContact O-N 3.35Å; F185-I189 PolarHBondContact O-N 2.8Å; F185-I189 VanDerWaalsContact O-N 3.16Å |
| 186 | V | 73 | Confident | 69.9 | Low | 111 Ų | 111 | 72.8 Ų | 72.8 | 67% | 0.673 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -52.8 | -40.1 | -178 | -179.7 | 0 | 0 | 0 | 0 | 112 | V184 R188 I189 L190 | V184-V186 PolarHBondContact O-N 3.44Å; V184-V186 VanDerWaalsContact O-N 3.13Å; V186-R188 VanDerWaalsContact C-N 3.33Å; V186-R188 PolarHBondContact O-N 3.49Å; V186-I189 PolarHBondContact O-N 3.48Å; V186-L190 WeakPolarHBondContact O-CB 3.42Å; V186-L190 PolarHBondContact O-N 2.78Å |
| 187 | F | 71 | Confident | 71.7 | Confident | 85 Ų | 85 | 72.7 Ų | 72.7 | 37% | 0.373 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.1 | -35.9 | 176.2 | -66.2 | -76.4 | 0 | 0 | 0 | 113.2 | F185 L191 | F185-F187 PolarHBondContact O-N 3.35Å; F185-F187 VanDerWaalsContact O-N 3.16Å; F187-L191 VanDerWaalsContact O-CB 3.31Å; F187-L191 WeakPolarHBondContact O-CB 3.15Å; F187-L191 WeakPolarHBondContact O-CD1 3.22Å; F187-L191 WeakPolarHBondContact O-CG 3.47Å; F187-L191 PolarHBondContact O-N 2.98Å |
| 188 | R | 77.8 | Confident | 73.4 | Confident | 128 Ų | 128 | 73.4 Ų | 73.4 | 48% | 0.483 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.1 | -40.3 | 176.2 | -69.2 | -172.9 | 177.9 | -173.3 | -2.8 | 111.3 | F185 V186 A192 L243 | F185-R188 HydrophobicContact CB-CB 4.19Å; F185-R188 HydrophobicContact CB-CG 3.94Å; F185-R188 WeakPolarHBondContact O-CA 3.36Å; F185-R188 WeakPolarHBondContact O-CB 3.48Å; F185-R188 PolarHBondContact O-N 3.35Å; V186-R188 VanDerWaalsContact C-N 3.33Å; V186-R188 PolarHBondContact O-N 3.49Å; R188-A192 VanDerWaalsContact O-CB 3.29Å; R188-A192 WeakPolarHBondContact O-CB 3.23Å; R188-A192 PolarHBondContact O-N 3.34Å; R188-L243 HydrophobicContact CG-CD1 4.43Å; R188-L243 HydrophobicContact CG-CD2 4.03Å |
| 189 | I | 80.4 | Confident | 75.4 | Confident | 83 Ų | 83 | 69.5 Ų | 69.5 | 43% | 0.426 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64 | -49 | 174 | -66 | 168.1 | 0 | 0 | 0 | 109.9 | V184 F185 V186 L191 A192 V193 | V184-I189 HydrophobicContact CB-CD1 3.6Å; V184-I189 HydrophobicContact CB-CG1 4.14Å; V184-I189 HydrophobicContact CG1-CD1 3.56Å; V184-I189 HydrophobicContact CG1-CG1 3.49Å; V184-I189 VanDerWaalsContact CG1-CG1 3.49Å; V184-I189 HydrophobicContact CG2-CD1 4.47Å; F185-I189 PolarHBondContact O-N 2.8Å; F185-I189 VanDerWaalsContact O-N 3.16Å; V186-I189 PolarHBondContact O-N 3.48Å; I189-L191 VanDerWaalsContact C-N 3.32Å; I189-L191 PolarHBondContact O-N 3.34Å; I189-A192 PolarHBondContact O-N 3.36Å; I189-A192 VanDerWaalsContact O-N 3.16Å; I189-V193 HydrophobicContact CG2-CG2 4.13Å; I189-V193 WeakPolarHBondContact O-CB 3.23Å; I189-V193 VanDerWaalsContact O-CG2 3.31Å; I189-V193 WeakPolarHBondContact O-CG2 3.48Å; I189-V193 PolarHBondContact O-N 2.9Å |
| 190 | L | 82.7 | Confident | 77.3 | Confident | 108 Ų | 108 | 71.5 Ų | 71.5 | 57% | 0.565 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -56.9 | -46.2 | 179.5 | -176.3 | 72.9 | 0 | 0 | 0 | 111.5 | V186 V193 L194 | V186-L190 WeakPolarHBondContact O-CB 3.42Å; V186-L190 PolarHBondContact O-N 2.78Å; L190-V193 PolarHBondContact O-N 3.36Å; L190-L194 VanDerWaalsContact O-CB 3.31Å; L190-L194 WeakPolarHBondContact O-CB 2.89Å; L190-L194 PolarHBondContact O-N 2.9Å |
| 191 | L | 83.5 | Confident | 79.2 | Confident | 17 Ų | 17 | 73.9 Ų | 73.9 | 9% | 0.089 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 176.9 | -73 | 164.4 | 0 | 0 | 0 | 111.9 | F187 I189 L194 V195 I235 A239 L243 | F187-L191 VanDerWaalsContact O-CB 3.31Å; F187-L191 WeakPolarHBondContact O-CB 3.15Å; F187-L191 WeakPolarHBondContact O-CD1 3.22Å; F187-L191 WeakPolarHBondContact O-CG 3.47Å; F187-L191 PolarHBondContact O-N 2.98Å; I189-L191 VanDerWaalsContact C-N 3.32Å; I189-L191 PolarHBondContact O-N 3.34Å; L191-L194 WeakPolarHBondContact O-CB 3.23Å; L191-L194 PolarHBondContact O-N 3.1Å; L191-V195 VanDerWaalsContact O-CG2 3.31Å; L191-V195 WeakPolarHBondContact O-CG2 3.25Å; L191-V195 PolarHBondContact O-N 2.98Å; L191-I235 HydrophobicContact CD2-CG2 4.33Å; L191-A239 HydrophobicContact CD1-CB 3.64Å; L191-A239 HydrophobicContact CD2-CB 4.17Å; L191-A239 HydrophobicContact CG-CB 4.46Å; L191-L243 HydrophobicContact CD1-CD1 4.44Å |
| 192 | A | 85.3 | Confident | 81.2 | Confident | 38 Ų | 38 | 72.9 Ų | 72.9 | 31% | 0.314 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L121 R188 I189 V195 L196 | L121-A192 HydrophobicContact CD2-CB 3.88Å; R188-A192 VanDerWaalsContact O-CB 3.29Å; R188-A192 WeakPolarHBondContact O-CB 3.23Å; R188-A192 PolarHBondContact O-N 3.34Å; I189-A192 PolarHBondContact O-N 3.36Å; I189-A192 VanDerWaalsContact O-N 3.16Å; A192-V195 PolarHBondContact O-N 3.38Å; A192-L196 WeakPolarHBondContact O-CB 3.28Å; A192-L196 PolarHBondContact O-N 3.29Å |
| 193 | V | 88.6 | Confident | 83.3 | Confident | 72 Ų | 72 | 74.7 Ų | 74.7 | 44% | 0.436 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 174.3 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | I189 L190 V195 L196 L197 | I189-V193 HydrophobicContact CG2-CG2 4.13Å; I189-V193 WeakPolarHBondContact O-CB 3.23Å; I189-V193 VanDerWaalsContact O-CG2 3.31Å; I189-V193 WeakPolarHBondContact O-CG2 3.48Å; I189-V193 PolarHBondContact O-N 2.9Å; L190-V193 PolarHBondContact O-N 3.36Å; V193-V195 PolarHBondContact O-N 2.95Å; V193-L196 PolarHBondContact O-N 2.98Å; V193-L197 HydrophobicContact CG1-CD1 4.06Å; V193-L197 HydrophobicContact CG1-CG 4.32Å; V193-L197 WeakPolarHBondContact O-CG 3.25Å; V193-L197 PolarHBondContact O-N 3.39Å |
| 194 | L | 90.4 | Very high | 85.1 | Confident | 58 Ų | 58 | 71.6 Ų | 71.6 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.1 | -49.3 | 176.2 | -174.4 | 68.5 | 0 | 0 | 0 | 111.2 | L190 L191 L196 L197 F198 I235 | L190-L194 VanDerWaalsContact O-CB 3.31Å; L190-L194 WeakPolarHBondContact O-CB 2.89Å; L190-L194 PolarHBondContact O-N 2.9Å; L191-L194 WeakPolarHBondContact O-CB 3.23Å; L191-L194 PolarHBondContact O-N 3.1Å; L194-L196 VanDerWaalsContact C-N 3.34Å; L194-L196 PolarHBondContact O-N 3.4Å; L194-L197 PolarHBondContact O-N 2.84Å; L194-F198 HydrophobicContact CD1-CD2 4Å; L194-F198 HydrophobicContact CD1-CE2 3.73Å; L194-F198 HydrophobicContact CG-CD2 4.11Å; L194-F198 HydrophobicContact CG-CE2 4.14Å; L194-F198 WeakPolarHBondContact O-CD2 3.4Å; L194-F198 PolarHBondContact O-N 2.87Å; L194-I235 HydrophobicContact CD2-CD1 4.39Å; L194-I235 HydrophobicContact CD2-CG1 4.19Å; L194-I235 HydrophobicContact CD2-CG2 4.17Å; L194-I235 HydrophobicContact CG-CD1 4.32Å |
| 195 | V | 90.4 | Very high | 86.6 | Confident | 22 Ų | 22 | 73.6 Ų | 73.6 | 13% | 0.133 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.2 | -46 | 176.6 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | L121 V125 L191 A192 V193 L197 F198 V199 L232 I235 | L121-V195 HydrophobicContact CD1-CG1 4.32Å; L121-V195 HydrophobicContact CG-CG1 4.44Å; V125-V195 HydrophobicContact CG2-CG1 3.37Å; L191-V195 VanDerWaalsContact O-CG2 3.31Å; L191-V195 WeakPolarHBondContact O-CG2 3.25Å; L191-V195 PolarHBondContact O-N 2.98Å; A192-V195 PolarHBondContact O-N 3.38Å; V193-V195 PolarHBondContact O-N 2.95Å; V195-L197 PolarHBondContact O-N 2.61Å; V195-F198 PolarHBondContact O-N 3.22Å; V195-V199 HydrophobicContact CG1-CG2 4.41Å; V195-V199 WeakPolarHBondContact O-CG2 3.47Å; V195-V199 PolarHBondContact O-N 3.16Å; V195-L232 HydrophobicContact CG1-CD2 4.29Å; V195-I235 HydrophobicContact CG2-CG2 3.62Å |
| 196 | L | 91 | Very high | 87.9 | Confident | 76 Ų | 76 | 69.8 Ų | 69.8 | 40% | 0.398 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 178.6 | -175.9 | 70.8 | 0 | 0 | 0 | 111.8 | L121 A192 V193 L194 F198 V199 I200 | L121-L196 HydrophobicContact CD1-CD1 4.38Å; A192-L196 WeakPolarHBondContact O-CB 3.28Å; A192-L196 PolarHBondContact O-N 3.29Å; V193-L196 PolarHBondContact O-N 2.98Å; L194-L196 VanDerWaalsContact C-N 3.34Å; L194-L196 PolarHBondContact O-N 3.4Å; L196-F198 VanDerWaalsContact C-N 3.34Å; L196-F198 PolarHBondContact O-N 3.25Å; L196-V199 PolarHBondContact O-N 2.83Å; L196-I200 HydrophobicContact CD1-CD1 4.09Å; L196-I200 HydrophobicContact CD1-CG1 4.46Å; L196-I200 HydrophobicContact CD2-CD1 4.38Å; L196-I200 HydrophobicContact CG-CD1 3.8Å; L196-I200 HydrophobicContact CG-CG1 4.48Å; L196-I200 WeakPolarHBondContact O-CB 3.46Å; L196-I200 VanDerWaalsContact O-CG1 3.28Å; L196-I200 WeakPolarHBondContact O-CG1 3.31Å; L196-I200 PolarHBondContact O-N 2.96Å |
| 197 | L | 92.7 | Very high | 88.6 | Confident | 103 Ų | 103 | 66.6 Ų | 66.6 | 54% | 0.539 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 177.9 | -72.2 | 175.9 | 0 | 0 | 0 | 112 | V193 L194 V195 S201 | V193-L197 HydrophobicContact CG1-CD1 4.06Å; V193-L197 HydrophobicContact CG1-CG 4.32Å; V193-L197 WeakPolarHBondContact O-CG 3.25Å; V193-L197 PolarHBondContact O-N 3.39Å; L194-L197 PolarHBondContact O-N 2.84Å; V195-L197 PolarHBondContact O-N 2.61Å; L197-S201 WeakPolarHBondContact O-CB 3.22Å; L197-S201 PolarHBondContact O-N 3.49Å; L197-S201 PolarHBondContact O-OG 2.89Å |
| 198 | F | 92 | Very high | 89.6 | Confident | 74 Ų | 74 | 67 Ų | 67 | 33% | 0.325 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 175.1 | -92.6 | -93.5 | 0 | 0 | 0 | 111.9 | L194 V195 L196 I200 S201 Y202 A231 I235 | L194-F198 HydrophobicContact CD1-CD2 4Å; L194-F198 HydrophobicContact CD1-CE2 3.73Å; L194-F198 HydrophobicContact CG-CD2 4.11Å; L194-F198 HydrophobicContact CG-CE2 4.14Å; L194-F198 WeakPolarHBondContact O-CD2 3.4Å; L194-F198 PolarHBondContact O-N 2.87Å; V195-F198 PolarHBondContact O-N 3.22Å; L196-F198 VanDerWaalsContact C-N 3.34Å; L196-F198 PolarHBondContact O-N 3.25Å; F198-I200 PolarHBondContact O-N 3.16Å; F198-S201 PolarHBondContact O-N 2.84Å; F198-S201 PolarHBondContact O-OG 3.43Å; F198-Y202 HydrophobicContact CD1-CD2 4.44Å; F198-Y202 AromaticContact CD1-CE2 3.97Å; F198-Y202 HydrophobicContact CD1-CE2 3.97Å; F198-Y202 WeakPolarHBondContact O-CB 3.32Å; F198-Y202 VanDerWaalsContact O-CD2 3.23Å; F198-Y202 WeakPolarHBondContact O-CD2 3.38Å; F198-Y202 PolarHBondContact O-N 3.27Å; F198-A231 HydrophobicContact CD1-CB 4.34Å; F198-A231 HydrophobicContact CE1-CB 4.43Å; F198-I235 HydrophobicContact CB-CD1 4.34Å; F198-I235 HydrophobicContact CD1-CD1 4.41Å; F198-I235 HydrophobicContact CD2-CD1 3.74Å; F198-I235 HydrophobicContact CE2-CD1 4.11Å; F198-I235 HydrophobicContact CG-CD1 3.91Å |
| 199 | V | 92.6 | Very high | 90 | Very high | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.024 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 179.6 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | L124 V125 T128 V195 L196 Y202 W203 L232 | L124-V199 HydrophobicContact CD2-CB 4.06Å; L124-V199 HydrophobicContact CD2-CG1 3.45Å; L124-V199 VanDerWaalsContact CD2-CG1 3.45Å; L124-V199 HydrophobicContact CD2-CG2 4.1Å; V125-V199 HydrophobicContact CG2-CG2 4.23Å; T128-V199 HydrophobicContact CG2-CG1 3.77Å; V195-V199 HydrophobicContact CG1-CG2 4.41Å; V195-V199 WeakPolarHBondContact O-CG2 3.47Å; V195-V199 PolarHBondContact O-N 3.16Å; L196-V199 PolarHBondContact O-N 2.83Å; V199-Y202 PolarHBondContact O-N 3.48Å; V199-W203 PolarHBondContact O-N 2.86Å; V199-L232 HydrophobicContact CG2-CD2 4.21Å |
| 200 | I | 93.6 | Very high | 90.3 | Very high | 84 Ų | 84 | 64.5 Ų | 64.5 | 43% | 0.431 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 177.3 | -68 | 170.1 | 0 | 0 | 0 | 110.9 | L196 F198 Y202 W203 L204 | L196-I200 HydrophobicContact CD1-CD1 4.09Å; L196-I200 HydrophobicContact CD1-CG1 4.46Å; L196-I200 HydrophobicContact CD2-CD1 4.38Å; L196-I200 HydrophobicContact CG-CD1 3.8Å; L196-I200 HydrophobicContact CG-CG1 4.48Å; L196-I200 WeakPolarHBondContact O-CB 3.46Å; L196-I200 VanDerWaalsContact O-CG1 3.28Å; L196-I200 WeakPolarHBondContact O-CG1 3.31Å; L196-I200 PolarHBondContact O-N 2.96Å; F198-I200 PolarHBondContact O-N 3.16Å; I200-Y202 VanDerWaalsContact C-N 3.33Å; I200-Y202 PolarHBondContact O-N 3.13Å; I200-W203 PolarHBondContact O-N 3.37Å; I200-L204 HydrophobicContact CG2-CD1 4.03Å; I200-L204 HydrophobicContact CG2-CG 4.37Å; I200-L204 WeakPolarHBondContact O-CG 3.29Å; I200-L204 PolarHBondContact O-N 3.16Å |
| 201 | S | 93.8 | Very high | 90.4 | Very high | 59 Ų | 59 | 61.4 Ų | 61.4 | 41% | 0.413 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | -179 | 67.4 | 0 | 0 | 0 | 0 | 112.3 | L197 F198 L204 F205 | L197-S201 WeakPolarHBondContact O-CB 3.22Å; L197-S201 PolarHBondContact O-N 3.49Å; L197-S201 PolarHBondContact O-OG 2.89Å; F198-S201 PolarHBondContact O-N 2.84Å; F198-S201 PolarHBondContact O-OG 3.43Å; S201-L204 PolarHBondContact O-N 2.97Å; S201-F205 PolarHBondContact O-N 3.29Å |
| 202 | Y | 94.4 | Very high | 90.6 | Very high | 42 Ų | 42 | 67.1 Ų | 67.1 | 17% | 0.165 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 175.4 | -88.3 | -102.5 | 0 | 0 | 0 | 112.6 | F198 V199 I200 F205 Y206 Y224 L228 | F198-Y202 HydrophobicContact CD1-CD2 4.44Å; F198-Y202 AromaticContact CD1-CE2 3.97Å; F198-Y202 HydrophobicContact CD1-CE2 3.97Å; F198-Y202 WeakPolarHBondContact O-CB 3.32Å; F198-Y202 VanDerWaalsContact O-CD2 3.23Å; F198-Y202 WeakPolarHBondContact O-CD2 3.38Å; F198-Y202 PolarHBondContact O-N 3.27Å; V199-Y202 PolarHBondContact O-N 3.48Å; I200-Y202 VanDerWaalsContact C-N 3.33Å; I200-Y202 PolarHBondContact O-N 3.13Å; Y202-F205 PolarHBondContact O-N 3.47Å; Y202-Y206 WeakPolarHBondContact O-CB 3.45Å; Y202-Y206 PolarHBondContact O-N 3.28Å; Y202-Y224 WeakPolarHBondContact CA-OH 3.47Å; Y202-Y224 AromaticContact CD1-CE1 3.85Å; Y202-Y224 HydrophobicContact CD1-CE1 3.85Å; Y202-Y224 AromaticContact CD1-CE2 3.98Å; Y202-Y224 HydrophobicContact CD1-CE2 3.98Å; Y202-Y224 AromaticContact CD1-CZ 3.41Å; Y202-Y224 VanDerWaalsContact CD1-CZ 3.41Å; Y202-Y224 WeakPolarHBondContact CD1-OH 3.49Å; Y202-Y224 AromaticContact CE1-CE2 3.98Å; Y202-Y224 HydrophobicContact CE1-CE2 3.98Å; Y202-Y224 AromaticContact CE1-CZ 3.9Å; Y202-Y224 PolarHBondContact O-OH 3.26Å; Y202-L228 HydrophobicContact CD1-CB 3.75Å; Y202-L228 HydrophobicContact CD1-CD1 3.9Å; Y202-L228 HydrophobicContact CD1-CG 4.28Å; Y202-L228 HydrophobicContact CD2-CD1 4.02Å; Y202-L228 HydrophobicContact CE1-CB 3.81Å; Y202-L228 HydrophobicContact CE1-CD1 4.34Å; Y202-L228 HydrophobicContact CE2-CD1 4.43Å; Y202-L228 HydrophobicContact CG-CB 4.45Å; Y202-L228 HydrophobicContact CG-CD1 3.72Å |
| 203 | W | 94.3 | Very high | 90.5 | Very high | 84 Ų | 84 | 68.9 Ų | 68.9 | 32% | 0.318 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 173.1 | -94.9 | 109.2 | 0 | 0 | 0 | 112.8 | T128 A131 F132 V199 I200 Y206 S207 | T128-W203 HydrophobicContact CG2-CZ2 3.92Å; A131-W203 HydrophobicContact CB-CH2 4.32Å; A131-W203 HydrophobicContact CB-CZ2 4.33Å; F132-W203 HydrophobicContact CD1-CH2 4.38Å; F132-W203 HydrophobicContact CD1-CZ2 4.47Å; F132-W203 AromaticContact CE1-CD2 3.69Å; F132-W203 HydrophobicContact CE1-CD2 3.69Å; F132-W203 AromaticContact CE1-CE2 3.78Å; F132-W203 AromaticContact CE1-CE3 3.78Å; F132-W203 HydrophobicContact CE1-CE3 3.78Å; F132-W203 HydrophobicContact CE1-CG 4.26Å; F132-W203 HydrophobicContact CE1-CH2 4.03Å; F132-W203 AromaticContact CE1-CZ2 3.94Å; F132-W203 HydrophobicContact CE1-CZ2 3.94Å; F132-W203 AromaticContact CE1-CZ3 3.95Å; F132-W203 HydrophobicContact CE1-CZ3 3.95Å; F132-W203 HydrophobicContact CZ-CD2 4.18Å; F132-W203 HydrophobicContact CZ-CG 4.28Å; V199-W203 PolarHBondContact O-N 2.86Å; I200-W203 PolarHBondContact O-N 3.37Å; W203-Y206 HydrophobicContact CZ3-CD1 4.48Å; W203-Y206 PolarHBondContact O-N 2.9Å; W203-S207 WeakPolarHBondContact O-CB 3.35Å; W203-S207 PolarHBondContact O-N 3.46Å; W203-S207 PolarHBondContact O-OG 3.43Å |
| 204 | L | 93.1 | Very high | 90.2 | Very high | 112 Ų | 112 | 69.1 Ų | 69.1 | 59% | 0.586 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.4 | -46.9 | 178.7 | -72.2 | 174.1 | 0 | 0 | 0 | 110.8 | I200 S201 S207 V208 | I200-L204 HydrophobicContact CG2-CD1 4.03Å; I200-L204 HydrophobicContact CG2-CG 4.37Å; I200-L204 WeakPolarHBondContact O-CG 3.29Å; I200-L204 PolarHBondContact O-N 3.16Å; S201-L204 PolarHBondContact O-N 2.97Å; L204-S207 PolarHBondContact O-N 2.96Å; L204-V208 WeakPolarHBondContact O-CG2 3.23Å; L204-V208 PolarHBondContact O-N 2.94Å; L204-V208 VanDerWaalsContact O-N 3.09Å |
| 205 | F | 92.7 | Very high | 89.7 | Confident | 105 Ų | 105 | 69.3 Ų | 69.3 | 46% | 0.461 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 178.2 | -171.3 | -89.1 | 0 | 0 | 0 | 111.8 | S201 Y202 S207 V208 R209 Y224 | S201-F205 PolarHBondContact O-N 3.29Å; Y202-F205 PolarHBondContact O-N 3.47Å; F205-S207 VanDerWaalsContact C-N 3.32Å; F205-S207 PolarHBondContact O-N 3.26Å; F205-V208 PolarHBondContact O-N 2.93Å; F205-R209 HydrophobicContact CD1-CB 4.22Å; F205-R209 HydrophobicContact CD1-CG 4.09Å; F205-R209 HydrophobicContact CD2-CG 4.1Å; F205-R209 HydrophobicContact CE1-CB 4.03Å; F205-R209 HydrophobicContact CE1-CG 3.8Å; F205-R209 HydrophobicContact CE2-CG 3.8Å; F205-R209 HydrophobicContact CG-CG 4.26Å; F205-R209 HydrophobicContact CZ-CB 4.37Å; F205-R209 HydrophobicContact CZ-CG 3.66Å; F205-R209 VanDerWaalsContact O-CB 3.24Å; F205-R209 WeakPolarHBondContact O-CB 3.44Å; F205-R209 PolarHBondContact O-N 2.92Å; F205-Y224 WeakPolarHBondContact CB-OH 3.38Å; F205-Y224 HydrophobicContact CD1-CD2 4.48Å; F205-Y224 HydrophobicContact CD1-CE1 4.44Å; F205-Y224 AromaticContact CD1-CE2 3.57Å; F205-Y224 HydrophobicContact CD1-CE2 3.57Å; F205-Y224 AromaticContact CD1-CZ 3.55Å; F205-Y224 WeakPolarHBondContact CD1-OH 3.46Å; F205-Y224 HydrophobicContact CE1-CD2 4.45Å; F205-Y224 AromaticContact CE1-CE2 3.86Å; F205-Y224 HydrophobicContact CE1-CE2 3.86Å |
| 206 | Y | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 173.9 | -174.8 | -92.1 | 0 | 0 | 0 | 111.8 | F132 L135 P136 Y202 W203 I210 L211 I221 Y224 | F132-Y206 HydrophobicContact CB-CD2 4.22Å; F132-Y206 HydrophobicContact CB-CE2 3.72Å; F132-Y206 AromaticContact CD1-CD1 3.96Å; F132-Y206 HydrophobicContact CD1-CD1 3.96Å; F132-Y206 AromaticContact CD1-CD2 3.8Å; F132-Y206 HydrophobicContact CD1-CD2 3.8Å; F132-Y206 HydrophobicContact CD1-CE1 4.02Å; F132-Y206 AromaticContact CD1-CE2 3.87Å; F132-Y206 HydrophobicContact CD1-CE2 3.87Å; F132-Y206 AromaticContact CD1-CG 3.86Å; F132-Y206 HydrophobicContact CD1-CG 3.86Å; F132-Y206 AromaticContact CD1-CZ 3.99Å; F132-Y206 AromaticContact CD2-CD2 3.7Å; F132-Y206 HydrophobicContact CD2-CD2 3.7Å; F132-Y206 HydrophobicContact CD2-CE2 4.1Å; F132-Y206 HydrophobicContact CD2-CG 4.28Å; F132-Y206 AromaticContact CE1-CD1 3.85Å; F132-Y206 HydrophobicContact CE1-CD1 3.85Å; F132-Y206 HydrophobicContact CE1-CD2 4.01Å; F132-Y206 HydrophobicContact CE1-CE1 4.35Å; F132-Y206 AromaticContact CE1-CG 3.67Å; F132-Y206 HydrophobicContact CE1-CG 3.67Å; F132-Y206 AromaticContact CE2-CD2 3.91Å; F132-Y206 HydrophobicContact CE2-CD2 3.91Å; F132-Y206 HydrophobicContact CE2-CG 4.1Å; F132-Y206 AromaticContact CG-CD2 3.64Å; F132-Y206 HydrophobicContact CG-CD2 3.64Å; F132-Y206 AromaticContact CG-CE2 3.64Å; F132-Y206 HydrophobicContact CG-CE2 3.64Å; F132-Y206 HydrophobicContact CG-CG 4.17Å; F132-Y206 HydrophobicContact CZ-CD1 4.41Å; F132-Y206 HydrophobicContact CZ-CD2 4.07Å; F132-Y206 AromaticContact CZ-CG 3.8Å; F132-Y206 HydrophobicContact CZ-CG 3.8Å; F132-Y206 PolarHBondContact O-OH 3.41Å; L135-Y206 HydrophobicContact CD2-CE1 4.28Å; P136-Y206 WeakPolarHBondContact CD-OH 3.5Å; P136-Y206 WeakPolarHBondContact CG-OH 3.38Å; Y202-Y206 WeakPolarHBondContact O-CB 3.45Å; Y202-Y206 PolarHBondContact O-N 3.28Å; W203-Y206 HydrophobicContact CZ3-CD1 4.48Å; W203-Y206 PolarHBondContact O-N 2.9Å; Y206-I210 HydrophobicContact CD2-CB 4.2Å; Y206-I210 HydrophobicContact CD2-CD1 3.31Å; Y206-I210 HydrophobicContact CD2-CG1 4.33Å; Y206-I210 HydrophobicContact CD2-CG2 4.45Å; Y206-I210 HydrophobicContact CE2-CB 4.2Å; Y206-I210 HydrophobicContact CE2-CD1 3.65Å; Y206-I210 HydrophobicContact CE2-CG2 3.94Å; Y206-I210 HydrophobicContact CG-CB 4.48Å; Y206-I210 HydrophobicContact CG-CD1 4.14Å; Y206-I210 WeakPolarHBondContact O-CA 3.31Å; Y206-I210 VanDerWaalsContact O-CB 3.31Å; Y206-I210 WeakPolarHBondContact O-CB 3.5Å; Y206-I210 PolarHBondContact O-N 3.45Å; Y206-L211 HydrophobicContact CD1-CD1 3.96Å; Y206-L211 HydrophobicContact CD1-CG 3.9Å; Y206-L211 HydrophobicContact CE1-CD1 3.89Å; Y206-L211 HydrophobicContact CE1-CD2 3.77Å; Y206-L211 HydrophobicContact CE1-CG 3.67Å; Y206-L211 PolarHBondContact O-N 2.93Å; Y206-L211 VanDerWaalsContact O-N 3.1Å; Y206-I221 HydrophobicContact CE2-CG2 4.17Å; Y206-Y224 HydrophobicContact CD2-CD1 4.07Å; Y206-Y224 HydrophobicContact CD2-CE1 4.13Å |
| 207 | S | 88.7 | Confident | 89.1 | Confident | 45 Ų | 45 | 72.8 Ų | 72.8 | 32% | 0.315 | 37% | 0.37 | S | S | . | . | I | π-helix | trans | -64 | -46 | -178.9 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | W203 L204 F205 L211 D212 | W203-S207 WeakPolarHBondContact O-CB 3.35Å; W203-S207 PolarHBondContact O-N 3.46Å; W203-S207 PolarHBondContact O-OG 3.43Å; L204-S207 PolarHBondContact O-N 2.96Å; F205-S207 VanDerWaalsContact C-N 3.32Å; F205-S207 PolarHBondContact O-N 3.26Å; S207-L211 WeakPolarHBondContact O-CB 3.19Å; S207-L211 PolarHBondContact O-N 3.23Å; S207-D212 PolarHBondContact O-N 2.96Å |
| 208 | V | 91.2 | Very high | 88.8 | Confident | 92 Ų | 92 | 68.5 Ų | 68.5 | 56% | 0.558 | 35% | 0.347 | S | S | * | . | I | π-helix | trans | -75.3 | -39.6 | -178.4 | 176.9 | 0 | 0 | 0 | 0 | 112.4 | L204 F205 | L204-V208 WeakPolarHBondContact O-CG2 3.23Å; L204-V208 PolarHBondContact O-N 2.94Å; L204-V208 VanDerWaalsContact O-N 3.09Å; F205-V208 PolarHBondContact O-N 2.93Å |
| 209 | R | 86.4 | Confident | 88.6 | Confident | 152 Ų | 152 | 68.5 Ų | 68.5 | 57% | 0.574 | 35% | 0.348 | S | S | * | . | I | π-helix | trans | -95 | -19.5 | -170.9 | -69.9 | -71.6 | -169.4 | 172.1 | -0.7 | 115.2 | F205 S213 | F205-R209 HydrophobicContact CD1-CB 4.22Å; F205-R209 HydrophobicContact CD1-CG 4.09Å; F205-R209 HydrophobicContact CD2-CG 4.1Å; F205-R209 HydrophobicContact CE1-CB 4.03Å; F205-R209 HydrophobicContact CE1-CG 3.8Å; F205-R209 HydrophobicContact CE2-CG 3.8Å; F205-R209 HydrophobicContact CG-CG 4.26Å; F205-R209 HydrophobicContact CZ-CB 4.37Å; F205-R209 HydrophobicContact CZ-CG 3.66Å; F205-R209 VanDerWaalsContact O-CB 3.24Å; F205-R209 WeakPolarHBondContact O-CB 3.44Å; F205-R209 PolarHBondContact O-N 2.92Å; R209-S213 PolarHBondContact O-OG 3.01Å |
| 210 | I | 86.1 | Confident | 88.3 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 4% | 0.041 | 36% | 0.358 | C | S | . | . | I | π-helix | trans | -119.4 | -45.4 | -176.5 | -62.9 | 159.3 | 0 | 0 | 0 | 109.4 | W140 Y206 Q214 D215 I221 Y224 | W140-I210 WeakPolarHBondContact CZ2-O 3.26Å; Y206-I210 HydrophobicContact CD2-CB 4.2Å; Y206-I210 HydrophobicContact CD2-CD1 3.31Å; Y206-I210 HydrophobicContact CD2-CG1 4.33Å; Y206-I210 HydrophobicContact CD2-CG2 4.45Å; Y206-I210 HydrophobicContact CE2-CB 4.2Å; Y206-I210 HydrophobicContact CE2-CD1 3.65Å; Y206-I210 HydrophobicContact CE2-CG2 3.94Å; Y206-I210 HydrophobicContact CG-CB 4.48Å; Y206-I210 HydrophobicContact CG-CD1 4.14Å; Y206-I210 WeakPolarHBondContact O-CA 3.31Å; Y206-I210 VanDerWaalsContact O-CB 3.31Å; Y206-I210 WeakPolarHBondContact O-CB 3.5Å; Y206-I210 PolarHBondContact O-N 3.45Å; I210-Q214 WeakPolarHBondContact O-CA 3.24Å; I210-Q214 PolarHBondContact O-N 3.43Å; I210-D215 PolarHBondContact O-N 3.05Å; I210-I221 HydrophobicContact CD1-CG1 4.46Å; I210-I221 HydrophobicContact CG1-CG1 4.43Å; I210-I221 HydrophobicContact CG2-CD1 3.76Å; I210-I221 HydrophobicContact CG2-CG1 3.94Å; I210-Y224 HydrophobicContact CD1-CD1 3.91Å; I210-Y224 HydrophobicContact CD1-CE1 4.45Å; I210-Y224 HydrophobicContact CD1-CG 4.34Å |
| 211 | L | 86.3 | Confident | 88.1 | Confident | 43 Ų | 43 | 65.5 Ų | 65.5 | 23% | 0.225 | 34% | 0.338 | C | S | . | . | I | π-helix | trans | -78.3 | -44.4 | -179.3 | -59.8 | 177.9 | 0 | 0 | 0 | 113.7 | L135 L139 W140 Y206 S207 | L135-L211 HydrophobicContact CD2-CD1 3.88Å; L135-L211 HydrophobicContact CD2-CD2 3.67Å; L135-L211 HydrophobicContact CD2-CG 4.41Å; L139-L211 HydrophobicContact CD1-CD2 4Å; W140-L211 HydrophobicContact CH2-CD2 4.26Å; W140-L211 WeakPolarHBondContact CH2-O 3.4Å; W140-L211 HydrophobicContact CZ2-CD2 4.36Å; Y206-L211 HydrophobicContact CD1-CD1 3.96Å; Y206-L211 HydrophobicContact CD1-CG 3.9Å; Y206-L211 HydrophobicContact CE1-CD1 3.89Å; Y206-L211 HydrophobicContact CE1-CD2 3.77Å; Y206-L211 HydrophobicContact CE1-CG 3.67Å; Y206-L211 PolarHBondContact O-N 2.93Å; Y206-L211 VanDerWaalsContact O-N 3.1Å; S207-L211 WeakPolarHBondContact O-CB 3.19Å; S207-L211 PolarHBondContact O-N 3.23Å |
| 212 | D | 86.6 | Confident | 87.9 | Confident | 136 Ų | 136 | 62.7 Ų | 62.7 | 73% | 0.727 | 32% | 0.318 | S | S | * | . | I | π-helix | trans | -74.8 | -43.4 | -177.4 | -162.7 | 41 | 0 | 0 | 0 | 111.8 | S207 Q214 | S207-D212 PolarHBondContact O-N 2.96Å; D212-Q214 VanDerWaalsContact C-N 3.33Å; D212-Q214 PolarHBondContact O-N 3.31Å |
| 213 | S | 83.1 | Confident | 87.8 | Confident | 76 Ų | 76 | 65.4 Ų | 65.4 | 53% | 0.531 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -2.3 | 178.9 | 53.5 | 0 | 0 | 0 | 0 | 115.1 | R209 D215 | R209-S213 PolarHBondContact O-OG 3.01Å; S213-D215 PolarHBondContact O-N 3.4Å |
| 214 | Q | 81.9 | Confident | 87.7 | Confident | 77 Ų | 77 | 63.3 Ų | 63.3 | 36% | 0.36 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 58.6 | 179.9 | -46.6 | -164.9 | -20.7 | 0 | 0 | 113.1 | W140 I210 D212 E216 | W140-Q214 HydrophobicContact CD2-CB 4.33Å; W140-Q214 HydrophobicContact CE3-CB 4.13Å; W140-Q214 HydrophobicContact CE3-CG 3.85Å; W140-Q214 HydrophobicContact CH2-CB 3.96Å; W140-Q214 HydrophobicContact CH2-CG 3.68Å; W140-Q214 HydrophobicContact CZ2-CB 4.12Å; W140-Q214 HydrophobicContact CZ2-CG 4.35Å; W140-Q214 HydrophobicContact CZ3-CB 3.96Å; W140-Q214 HydrophobicContact CZ3-CG 3.38Å; I210-Q214 WeakPolarHBondContact O-CA 3.24Å; I210-Q214 PolarHBondContact O-N 3.43Å; D212-Q214 VanDerWaalsContact C-N 3.33Å; D212-Q214 PolarHBondContact O-N 3.31Å; Q214-E216 PolarHBondContact O-N 3.47Å |
| 215 | D | 79.8 | Confident | 87.6 | Confident | 62 Ų | 62 | 58 Ų | 58 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | trans | -62 | 124 | -175 | -163 | -9.9 | 0 | 0 | 0 | 111.4 | I210 S213 N217 | I210-D215 PolarHBondContact O-N 3.05Å; S213-D215 PolarHBondContact O-N 3.4Å; D215-N217 PolarHBondContact OD1-N 2.95Å; D215-N217 VanDerWaalsContact OD1-N 3.15Å | ||
| 216 | E | 83.1 | Confident | 87.6 | Confident | 98 Ų | 98 | 53.6 Ų | 53.6 | 46% | 0.458 | 28% | 0.279 | S | S | . | . | trans | -82.7 | -19.4 | -177.3 | -59.8 | -176.4 | 168.4 | 0 | 0 | 112 | Q145 Q214 Y218 | Q145-E216 HydrophobicContact CG-CB 4.47Å; Q145-E216 PolarHBondContact N-O 3.46Å; Q145-E216 VanDerWaalsContact N-O 3.12Å; Q214-E216 PolarHBondContact O-N 3.47Å; E216-Y218 PolarHBondContact O-N 2.98Å; E216-Y218 VanDerWaalsContact O-N 3.11Å | ||
| 217 | N | 86.4 | Confident | 87.7 | Confident | 73 Ų | 73 | 55.6 Ų | 55.6 | 39% | 0.39 | 29% | 0.293 | S | S | . | . | trans | -82.5 | 90 | -176.6 | -175 | 0.6 | 0 | 0 | 0 | 112 | D215 Q219 G220 I221 | D215-N217 PolarHBondContact OD1-N 2.95Å; D215-N217 VanDerWaalsContact OD1-N 3.15Å; N217-Q219 VanDerWaalsContact C-N 3.27Å; N217-Q219 PolarHBondContact O-N 2.85Å; N217-Q219 PolarHBondContact OD1-N 3.06Å; N217-G220 PolarHBondContact O-N 3.47Å; N217-G220 VanDerWaalsContact O-N 3.09Å; N217-G220 PolarHBondContact OD1-N 3.44Å; N217-I221 PolarHBondContact O-N 3.42Å | ||
| 218 | Y | 85.8 | Confident | 87.9 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61 | -33.2 | -178.6 | -167.1 | -128 | 0 | 0 | 0 | 114 | L133 H137 L144 C147 F155 E216 G220 I221 V222 | L133-Y218 PolarHBondContact O-OH 2.77Å; H137-Y218 AromaticContact CD2-CZ 3.82Å; H137-Y218 PolarHBondContact CD2-OH 3.05Å; H137-Y218 VanDerWaalsContact CD2-OH 3.27Å; H137-Y218 AromaticContact NE2-CE1 3.74Å; H137-Y218 AromaticContact NE2-CZ 3.37Å; H137-Y218 PolarHBondContact NE2-OH 2.65Å; H137-Y218 VanDerWaalsContact NE2-OH 3.09Å; L144-Y218 HydrophobicContact CD1-CD2 4.3Å; L144-Y218 HydrophobicContact CD2-CD1 4.43Å; L144-Y218 HydrophobicContact CD2-CD2 3.55Å; L144-Y218 HydrophobicContact CD2-CE2 3.93Å; L144-Y218 HydrophobicContact CD2-CG 3.83Å; L144-Y218 HydrophobicContact CG-CD2 4.11Å; L144-Y218 HydrophobicContact CG-CG 4.24Å; C147-Y218 HydrophobicContact CB-CD1 4.14Å; F155-Y218 AromaticContact CE2-CE1 3.84Å; F155-Y218 HydrophobicContact CE2-CE1 3.84Å; F155-Y218 AromaticContact CZ-CE1 3.45Å; F155-Y218 HydrophobicContact CZ-CE1 3.45Å; F155-Y218 VanDerWaalsContact CZ-CE1 3.45Å; F155-Y218 AromaticContact CZ-CZ 3.71Å; F155-Y218 WeakPolarHBondContact CZ-OH 3.42Å; E216-Y218 PolarHBondContact O-N 2.98Å; E216-Y218 VanDerWaalsContact O-N 3.11Å; Y218-G220 VanDerWaalsContact C-N 3.26Å; Y218-G220 PolarHBondContact O-N 3.21Å; Y218-I221 HydrophobicContact CD2-CB 4.4Å; Y218-I221 HydrophobicContact CD2-CD1 4.34Å; Y218-I221 PolarHBondContact O-N 3.09Å; Y218-I221 VanDerWaalsContact O-N 3.14Å; Y218-V222 HydrophobicContact CD1-CG2 4.07Å; Y218-V222 HydrophobicContact CD2-CG2 4.47Å; Y218-V222 HydrophobicContact CE1-CG2 3.91Å; Y218-V222 HydrophobicContact CE2-CG2 4.27Å; Y218-V222 HydrophobicContact CG-CG2 4.37Å; Y218-V222 WeakPolarHBondContact O-CG2 3.48Å; Y218-V222 PolarHBondContact O-N 2.7Å |
| 219 | Q | 88 | Confident | 88.1 | Confident | 74 Ų | 74 | 49.1 Ų | 49.1 | 35% | 0.346 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.3 | -39 | 176.8 | -179.4 | -179.7 | -26.7 | 0 | 0 | 111.5 | C151 L154 N217 V222 Q223 | C151-Q219 HydrophobicContact CB-CB 4.31Å; C151-Q219 HydrophobicContact CB-CG 4.29Å; L154-Q219 HydrophobicContact CD1-CG 4.48Å; N217-Q219 VanDerWaalsContact C-N 3.27Å; N217-Q219 PolarHBondContact O-N 2.85Å; N217-Q219 PolarHBondContact OD1-N 3.06Å; Q219-V222 PolarHBondContact O-N 2.94Å; Q219-Q223 WeakPolarHBondContact O-CB 3.46Å; Q219-Q223 VanDerWaalsContact O-CG 3.3Å; Q219-Q223 WeakPolarHBondContact O-CG 3.25Å; Q219-Q223 PolarHBondContact O-N 2.8Å |
| 220 | G | 88 | Confident | 88.4 | Confident | 24 Ų | 24 | 45.2 Ų | 45.2 | 25% | 0.247 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.2 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N217 Y218 Q223 Y224 | N217-G220 PolarHBondContact O-N 3.47Å; N217-G220 VanDerWaalsContact O-N 3.09Å; N217-G220 PolarHBondContact OD1-N 3.44Å; Y218-G220 VanDerWaalsContact C-N 3.26Å; Y218-G220 PolarHBondContact O-N 3.21Å; G220-Q223 PolarHBondContact O-N 2.88Å; G220-Y224 WeakPolarHBondContact O-CB 3.22Å; G220-Y224 PolarHBondContact O-N 3.05Å |
| 221 | I | 89.1 | Confident | 88.7 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.3 | -45.2 | 176.7 | -57.9 | 173.4 | 0 | 0 | 0 | 110.8 | P136 Y206 I210 N217 Y218 Y224 A225 | P136-I221 HydrophobicContact CB-CD1 4.25Å; P136-I221 HydrophobicContact CG-CD1 4.06Å; P136-I221 HydrophobicContact CG-CG2 4.12Å; Y206-I221 HydrophobicContact CE2-CG2 4.17Å; I210-I221 HydrophobicContact CD1-CG1 4.46Å; I210-I221 HydrophobicContact CG1-CG1 4.43Å; I210-I221 HydrophobicContact CG2-CD1 3.76Å; I210-I221 HydrophobicContact CG2-CG1 3.94Å; N217-I221 PolarHBondContact O-N 3.42Å; Y218-I221 HydrophobicContact CD2-CB 4.4Å; Y218-I221 HydrophobicContact CD2-CD1 4.34Å; Y218-I221 PolarHBondContact O-N 3.09Å; Y218-I221 VanDerWaalsContact O-N 3.14Å; I221-Y224 WeakPolarHBondContact O-CB 3.16Å; I221-Y224 PolarHBondContact O-N 2.78Å; I221-A225 PolarHBondContact O-N 3.42Å |
| 222 | V | 89.8 | Confident | 89 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 177.2 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | L133 L154 F155 Y218 Q219 Y224 A225 V226 | L133-V222 HydrophobicContact CD2-CB 4.23Å; L133-V222 HydrophobicContact CD2-CG1 4.23Å; L133-V222 HydrophobicContact CD2-CG2 3.84Å; L154-V222 HydrophobicContact CB-CG1 3.57Å; L154-V222 HydrophobicContact CD1-CG1 4.16Å; F155-V222 HydrophobicContact CE1-CG2 4.27Å; F155-V222 HydrophobicContact CE2-CG2 4.01Å; F155-V222 HydrophobicContact CZ-CG1 4.47Å; F155-V222 HydrophobicContact CZ-CG2 3.59Å; Y218-V222 HydrophobicContact CD1-CG2 4.07Å; Y218-V222 HydrophobicContact CD2-CG2 4.47Å; Y218-V222 HydrophobicContact CE1-CG2 3.91Å; Y218-V222 HydrophobicContact CE2-CG2 4.27Å; Y218-V222 HydrophobicContact CG-CG2 4.37Å; Y218-V222 WeakPolarHBondContact O-CG2 3.48Å; Y218-V222 PolarHBondContact O-N 2.7Å; Q219-V222 PolarHBondContact O-N 2.94Å; V222-Y224 VanDerWaalsContact C-N 3.3Å; V222-Y224 PolarHBondContact O-N 2.91Å; V222-A225 PolarHBondContact O-N 3.22Å; V222-V226 VanDerWaalsContact O-CG2 3.23Å; V222-V226 WeakPolarHBondContact O-CG2 3.49Å; V222-V226 PolarHBondContact O-N 3.36Å |
| 223 | Q | 91.3 | Very high | 89.2 | Confident | 99 Ų | 99 | 38.1 Ų | 38.1 | 46% | 0.463 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.4 | -39.9 | 174.5 | -75.4 | 178.6 | -5.5 | 0 | 0 | 112.2 | L154 Q219 G220 V226 S227 | L154-Q223 HydrophobicContact CD1-CG 3.51Å; Q219-Q223 WeakPolarHBondContact O-CB 3.46Å; Q219-Q223 VanDerWaalsContact O-CG 3.3Å; Q219-Q223 WeakPolarHBondContact O-CG 3.25Å; Q219-Q223 PolarHBondContact O-N 2.8Å; G220-Q223 PolarHBondContact O-N 2.88Å; Q223-V226 WeakPolarHBondContact O-CB 3.16Å; Q223-V226 PolarHBondContact O-N 3.23Å; Q223-S227 PolarHBondContact O-N 2.89Å |
| 224 | Y | 91.5 | Very high | 89.6 | Confident | 41 Ų | 41 | 41.5 Ų | 41.5 | 16% | 0.161 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -44.9 | 175.9 | -172.5 | -106.6 | 0 | 0 | 0 | 111.8 | F132 Y202 F205 Y206 I210 G220 I221 V222 V226 S227 L228 | F132-Y224 HydrophobicContact CD2-CD1 4.2Å; F132-Y224 HydrophobicContact CD2-CE1 4.21Å; F132-Y224 HydrophobicContact CE2-CD1 4.25Å; F132-Y224 AromaticContact CE2-CE1 3.79Å; F132-Y224 HydrophobicContact CE2-CE1 3.79Å; Y202-Y224 WeakPolarHBondContact CA-OH 3.47Å; Y202-Y224 AromaticContact CD1-CE1 3.85Å; Y202-Y224 HydrophobicContact CD1-CE1 3.85Å; Y202-Y224 AromaticContact CD1-CE2 3.98Å; Y202-Y224 HydrophobicContact CD1-CE2 3.98Å; Y202-Y224 AromaticContact CD1-CZ 3.41Å; Y202-Y224 VanDerWaalsContact CD1-CZ 3.41Å; Y202-Y224 WeakPolarHBondContact CD1-OH 3.49Å; Y202-Y224 AromaticContact CE1-CE2 3.98Å; Y202-Y224 HydrophobicContact CE1-CE2 3.98Å; Y202-Y224 AromaticContact CE1-CZ 3.9Å; Y202-Y224 PolarHBondContact O-OH 3.26Å; F205-Y224 WeakPolarHBondContact CB-OH 3.38Å; F205-Y224 HydrophobicContact CD1-CD2 4.48Å; F205-Y224 HydrophobicContact CD1-CE1 4.44Å; F205-Y224 AromaticContact CD1-CE2 3.57Å; F205-Y224 HydrophobicContact CD1-CE2 3.57Å; F205-Y224 AromaticContact CD1-CZ 3.55Å; F205-Y224 WeakPolarHBondContact CD1-OH 3.46Å; F205-Y224 HydrophobicContact CE1-CD2 4.45Å; F205-Y224 AromaticContact CE1-CE2 3.86Å; F205-Y224 HydrophobicContact CE1-CE2 3.86Å; Y206-Y224 HydrophobicContact CD2-CD1 4.07Å; Y206-Y224 HydrophobicContact CD2-CE1 4.13Å; I210-Y224 HydrophobicContact CD1-CD1 3.91Å; I210-Y224 HydrophobicContact CD1-CE1 4.45Å; I210-Y224 HydrophobicContact CD1-CG 4.34Å; G220-Y224 WeakPolarHBondContact O-CB 3.22Å; G220-Y224 PolarHBondContact O-N 3.05Å; I221-Y224 WeakPolarHBondContact O-CB 3.16Å; I221-Y224 PolarHBondContact O-N 2.78Å; V222-Y224 VanDerWaalsContact C-N 3.3Å; V222-Y224 PolarHBondContact O-N 2.91Å; Y224-V226 VanDerWaalsContact C-N 3.35Å; Y224-V226 PolarHBondContact O-N 2.6Å; Y224-S227 PolarHBondContact O-N 2.94Å; Y224-S227 PolarHBondContact O-OG 3.11Å; Y224-L228 PolarHBondContact O-N 3.26Å |
| 225 | A | 92.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F132 L133 I221 V222 S227 L228 V229 | F132-A225 HydrophobicContact CB-CB 4.25Å; L133-A225 HydrophobicContact CD2-CB 3.87Å; L133-A225 HydrophobicContact CG-CB 4.15Å; I221-A225 PolarHBondContact O-N 3.42Å; V222-A225 PolarHBondContact O-N 3.22Å; A225-S227 VanDerWaalsContact C-N 3.32Å; A225-S227 PolarHBondContact O-N 2.88Å; A225-L228 WeakPolarHBondContact O-CB 3.38Å; A225-L228 PolarHBondContact O-N 3.38Å; A225-V229 WeakPolarHBondContact O-CG2 3.24Å; A225-V229 PolarHBondContact O-N 3.37Å; A225-V229 VanDerWaalsContact O-N 3.15Å |
| 226 | V | 93.1 | Very high | 90.2 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 7% | 0.073 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.4 | -44.6 | 174 | 174 | 0 | 0 | 0 | 0 | 111 | L154 V158 V222 Q223 Y224 L228 V229 D230 | L154-V226 HydrophobicContact CB-CG2 4.39Å; L154-V226 HydrophobicContact CD2-CG2 4.27Å; V158-V226 HydrophobicContact CG2-CB 4.36Å; V158-V226 HydrophobicContact CG2-CG2 3.27Å; V222-V226 VanDerWaalsContact O-CG2 3.23Å; V222-V226 WeakPolarHBondContact O-CG2 3.49Å; V222-V226 PolarHBondContact O-N 3.36Å; Q223-V226 WeakPolarHBondContact O-CB 3.16Å; Q223-V226 PolarHBondContact O-N 3.23Å; Y224-V226 VanDerWaalsContact C-N 3.35Å; Y224-V226 PolarHBondContact O-N 2.6Å; V226-L228 VanDerWaalsContact C-N 3.3Å; V226-L228 PolarHBondContact O-N 3.15Å; V226-V229 PolarHBondContact O-N 3.18Å; V226-D230 PolarHBondContact O-N 2.91Å |
| 227 | S | 94.1 | Very high | 90.4 | Very high | 43 Ų | 43 | 38.5 Ų | 38.5 | 30% | 0.301 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.9 | -35 | -179.7 | 79.5 | 0 | 0 | 0 | 0 | 113 | Q223 Y224 A225 D230 A231 | Q223-S227 PolarHBondContact O-N 2.89Å; Y224-S227 PolarHBondContact O-N 2.94Å; Y224-S227 PolarHBondContact O-OG 3.11Å; A225-S227 VanDerWaalsContact C-N 3.32Å; A225-S227 PolarHBondContact O-N 2.88Å; S227-D230 PolarHBondContact O-N 3.45Å; S227-A231 PolarHBondContact O-N 3.27Å |
| 228 | L | 93 | Very high | 90.3 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.2 | -47.8 | 173.4 | 173.1 | 61.5 | 0 | 0 | 0 | 110.8 | P129 F132 Y202 Y224 A225 V226 D230 A231 L232 | P129-L228 HydrophobicContact CG-CD2 4.09Å; P129-L228 HydrophobicContact CG-CG 4.46Å; F132-L228 HydrophobicContact CD2-CD2 4.04Å; F132-L228 HydrophobicContact CE2-CD2 3.75Å; F132-L228 HydrophobicContact CZ-CD2 4.44Å; Y202-L228 HydrophobicContact CD1-CB 3.75Å; Y202-L228 HydrophobicContact CD1-CD1 3.9Å; Y202-L228 HydrophobicContact CD1-CG 4.28Å; Y202-L228 HydrophobicContact CD2-CD1 4.02Å; Y202-L228 HydrophobicContact CE1-CB 3.81Å; Y202-L228 HydrophobicContact CE1-CD1 4.34Å; Y202-L228 HydrophobicContact CE2-CD1 4.43Å; Y202-L228 HydrophobicContact CG-CB 4.45Å; Y202-L228 HydrophobicContact CG-CD1 3.72Å; Y224-L228 PolarHBondContact O-N 3.26Å; A225-L228 WeakPolarHBondContact O-CB 3.38Å; A225-L228 PolarHBondContact O-N 3.38Å; V226-L228 VanDerWaalsContact C-N 3.3Å; V226-L228 PolarHBondContact O-N 3.15Å; L228-D230 VanDerWaalsContact C-N 3.27Å; L228-D230 PolarHBondContact O-N 3.17Å; L228-A231 PolarHBondContact O-N 3.27Å; L228-L232 HydrophobicContact CD1-CD1 3.93Å; L228-L232 HydrophobicContact CD1-CG 4.07Å; L228-L232 HydrophobicContact CG-CD1 3.88Å; L228-L232 HydrophobicContact CG-CG 4.45Å; L228-L232 VanDerWaalsContact O-CG 3.25Å; L228-L232 WeakPolarHBondContact O-CG 3.37Å; L228-L232 PolarHBondContact O-N 3.18Å |
| 229 | V | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 178.8 | -177 | 0 | 0 | 0 | 0 | 111 | P129 K161 L162 A225 V226 L232 L233 | P129-V229 HydrophobicContact CB-CG2 3.55Å; P129-V229 HydrophobicContact CG-CG2 3.64Å; K161-V229 HydrophobicContact CB-CG1 3.48Å; K161-V229 VanDerWaalsContact CB-CG1 3.48Å; K161-V229 HydrophobicContact CD-CG1 4.31Å; K161-V229 HydrophobicContact CG-CG1 4.47Å; L162-V229 HydrophobicContact CD2-CG2 4.11Å; A225-V229 WeakPolarHBondContact O-CG2 3.24Å; A225-V229 PolarHBondContact O-N 3.37Å; A225-V229 VanDerWaalsContact O-N 3.15Å; V226-V229 PolarHBondContact O-N 3.18Å; V229-L232 PolarHBondContact O-N 3.22Å; V229-L233 HydrophobicContact CG1-CD1 4.14Å; V229-L233 HydrophobicContact CG1-CG 4.39Å; V229-L233 WeakPolarHBondContact O-CB 3.45Å; V229-L233 WeakPolarHBondContact O-CG 3.35Å; V229-L233 PolarHBondContact O-N 3.34Å |
| 230 | D | 93.5 | Very high | 89.6 | Confident | 69 Ų | 69 | 37.1 Ų | 37.1 | 37% | 0.369 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 175.9 | -74.4 | -28.3 | 0 | 0 | 0 | 112.5 | K161 V226 S227 L228 L232 L233 F234 | K161-D230 WeakPolarHBondContact CD-OD1 3.45Å; K161-D230 WeakPolarHBondContact CE-OD1 3.45Å; K161-D230 IonicContact NZ-OD1 3.09Å; K161-D230 PolarHBondContact NZ-OD1 3.43Å; K161-D230 IonicContact NZ-OD2 3.91Å; K161-D230 PolarHBondContact NZ-OD2 2.95Å; V226-D230 PolarHBondContact O-N 2.91Å; S227-D230 PolarHBondContact O-N 3.45Å; L228-D230 VanDerWaalsContact C-N 3.27Å; L228-D230 PolarHBondContact O-N 3.17Å; D230-L232 PolarHBondContact O-N 3.41Å; D230-L233 PolarHBondContact O-N 2.91Å; D230-F234 WeakPolarHBondContact O-CB 3.43Å; D230-F234 PolarHBondContact O-N 3.14Å |
| 231 | A | 92.8 | Very high | 89 | Confident | 20 Ų | 20 | 39.4 Ų | 39.4 | 17% | 0.165 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F198 S227 L228 F234 I235 | F198-A231 HydrophobicContact CD1-CB 4.34Å; F198-A231 HydrophobicContact CE1-CB 4.43Å; S227-A231 PolarHBondContact O-N 3.27Å; L228-A231 PolarHBondContact O-N 3.27Å; A231-F234 PolarHBondContact O-N 2.68Å; A231-I235 WeakPolarHBondContact O-CG1 3.42Å; A231-I235 PolarHBondContact O-N 3.09Å |
| 232 | L | 91.7 | Very high | 88.1 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 177.8 | -69.1 | 168.7 | 0 | 0 | 0 | 112.1 | V125 P129 L165 V195 V199 L228 V229 D230 I235 H236 | V125-L232 HydrophobicContact CG1-CB 4.47Å; V125-L232 HydrophobicContact CG1-CD1 3.72Å; V125-L232 HydrophobicContact CG1-CD2 3.79Å; V125-L232 HydrophobicContact CG1-CG 4.19Å; V125-L232 HydrophobicContact CG2-CD2 4.41Å; P129-L232 HydrophobicContact CG-CD1 4.37Å; L165-L232 HydrophobicContact CD1-CB 3.72Å; L165-L232 HydrophobicContact CD1-CD1 4.21Å; V195-L232 HydrophobicContact CG1-CD2 4.29Å; V199-L232 HydrophobicContact CG2-CD2 4.21Å; L228-L232 HydrophobicContact CD1-CD1 3.93Å; L228-L232 HydrophobicContact CD1-CG 4.07Å; L228-L232 HydrophobicContact CG-CD1 3.88Å; L228-L232 HydrophobicContact CG-CG 4.45Å; L228-L232 VanDerWaalsContact O-CG 3.25Å; L228-L232 WeakPolarHBondContact O-CG 3.37Å; L228-L232 PolarHBondContact O-N 3.18Å; V229-L232 PolarHBondContact O-N 3.22Å; D230-L232 PolarHBondContact O-N 3.41Å; L232-I235 PolarHBondContact O-N 3.25Å; L232-H236 WeakPolarHBondContact O-CB 3.45Å; L232-H236 PolarHBondContact O-N 3.33Å |
| 233 | L | 92.1 | Very high | 87.1 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -40.7 | 174.2 | -77.1 | 174.8 | 0 | 0 | 0 | 111.6 | K161 I164 L165 V229 D230 H236 Y237 | K161-L233 HydrophobicContact CB-CD1 3.87Å; K161-L233 HydrophobicContact CD-CD1 4.48Å; K161-L233 HydrophobicContact CG-CD1 4Å; I164-L233 HydrophobicContact CB-CD2 4.38Å; I164-L233 HydrophobicContact CG2-CD2 3.81Å; L165-L233 HydrophobicContact CB-CD2 4.08Å; V229-L233 HydrophobicContact CG1-CD1 4.14Å; V229-L233 HydrophobicContact CG1-CG 4.39Å; V229-L233 WeakPolarHBondContact O-CB 3.45Å; V229-L233 WeakPolarHBondContact O-CG 3.35Å; V229-L233 PolarHBondContact O-N 3.34Å; D230-L233 PolarHBondContact O-N 2.91Å; L233-H236 WeakPolarHBondContact O-CB 3.45Å; L233-H236 PolarHBondContact O-N 3.34Å; L233-Y237 HydrophobicContact CB-CE2 4.23Å; L233-Y237 WeakPolarHBondContact O-CD2 3.44Å; L233-Y237 PolarHBondContact O-N 2.94Å |
| 234 | F | 90.9 | Very high | 85.9 | Confident | 147 Ų | 147 | 42.8 Ų | 42.8 | 65% | 0.645 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -63 | -45.1 | 176.8 | -172.7 | -98.3 | 0 | 0 | 0 | 112.2 | D230 A231 H236 Y237 L238 | D230-F234 WeakPolarHBondContact O-CB 3.43Å; D230-F234 PolarHBondContact O-N 3.14Å; A231-F234 PolarHBondContact O-N 2.68Å; F234-H236 VanDerWaalsContact C-N 3.26Å; F234-H236 PolarHBondContact O-N 3.11Å; F234-Y237 PolarHBondContact O-N 3.38Å; F234-L238 PolarHBondContact O-N 3.37Å |
| 235 | I | 88.9 | Confident | 84.3 | Confident | 11 Ų | 11 | 47.1 Ų | 47.1 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.6 | -38 | 174.4 | -65.3 | 165.7 | 0 | 0 | 0 | 110.5 | L191 L194 V195 F198 A231 L232 L238 A239 | L191-I235 HydrophobicContact CD2-CG2 4.33Å; L194-I235 HydrophobicContact CD2-CD1 4.39Å; L194-I235 HydrophobicContact CD2-CG1 4.19Å; L194-I235 HydrophobicContact CD2-CG2 4.17Å; L194-I235 HydrophobicContact CG-CD1 4.32Å; V195-I235 HydrophobicContact CG2-CG2 3.62Å; F198-I235 HydrophobicContact CB-CD1 4.34Å; F198-I235 HydrophobicContact CD1-CD1 4.41Å; F198-I235 HydrophobicContact CD2-CD1 3.74Å; F198-I235 HydrophobicContact CE2-CD1 4.11Å; F198-I235 HydrophobicContact CG-CD1 3.91Å; A231-I235 WeakPolarHBondContact O-CG1 3.42Å; A231-I235 PolarHBondContact O-N 3.09Å; L232-I235 PolarHBondContact O-N 3.25Å; I235-L238 PolarHBondContact O-N 3.15Å; I235-A239 WeakPolarHBondContact O-CB 3.37Å; I235-A239 PolarHBondContact O-N 2.98Å |
| 236 | H | 85.5 | Confident | 82.3 | Confident | 36 Ų | 36 | 56.3 Ų | 56.3 | 17% | 0.167 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 174.7 | -176.9 | 76 | 0 | 0 | 0 | 112.4 | A168 L172 L232 L233 F234 L238 A239 V240 | A168-H236 VanDerWaalsContact CB-CD2 3.45Å; A168-H236 WeakPolarHBondContact CB-CD2 3.45Å; A168-H236 WeakPolarHBondContact CB-CE1 3.36Å; A168-H236 WeakPolarHBondContact CB-NE2 3.37Å; A168-H236 PolarHBondContact O-CE1 3.35Å; L172-H236 VanDerWaalsContact CD1-CE1 3.42Å; L172-H236 WeakPolarHBondContact CD1-CE1 3.36Å; L172-H236 WeakPolarHBondContact CD1-ND1 3.43Å; L232-H236 WeakPolarHBondContact O-CB 3.45Å; L232-H236 PolarHBondContact O-N 3.33Å; L233-H236 WeakPolarHBondContact O-CB 3.45Å; L233-H236 PolarHBondContact O-N 3.34Å; F234-H236 VanDerWaalsContact C-N 3.26Å; F234-H236 PolarHBondContact O-N 3.11Å; H236-L238 VanDerWaalsContact C-N 3.31Å; H236-L238 PolarHBondContact O-N 3.35Å; H236-A239 CarbonylContact O-C 3.5Å; H236-A239 WeakPolarHBondContact O-CA 3.38Å; H236-A239 VanDerWaalsContact O-CB 3.32Å; H236-A239 WeakPolarHBondContact O-CB 3.23Å; H236-A239 PolarHBondContact O-N 3.03Å; H236-A239 VanDerWaalsContact O-N 3.09Å; H236-V240 WeakPolarHBondContact NE2-CG2 3.23Å; H236-V240 WeakPolarHBondContact O-CG2 3.39Å; H236-V240 PolarHBondContact O-N 3.34Å |
| 237 | Y | 86.6 | Confident | 80 | Confident | 127 Ų | 127 | 59.3 Ų | 59.3 | 50% | 0.498 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 174.9 | -71.8 | -55.5 | 0 | 0 | 0 | 111.6 | L233 F234 A239 V240 V241 | L233-Y237 HydrophobicContact CB-CE2 4.23Å; L233-Y237 WeakPolarHBondContact O-CD2 3.44Å; L233-Y237 PolarHBondContact O-N 2.94Å; F234-Y237 PolarHBondContact O-N 3.38Å; Y237-A239 VanDerWaalsContact C-N 3.31Å; Y237-A239 PolarHBondContact O-N 3.41Å; Y237-V240 PolarHBondContact O-N 3.19Å; Y237-V241 VanDerWaalsContact O-CG2 3.31Å; Y237-V241 WeakPolarHBondContact O-CG2 3.23Å; Y237-V241 PolarHBondContact O-N 2.7Å |
| 238 | L | 83.9 | Confident | 78.2 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 36% | 0.356 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 172.9 | -178.5 | 64.2 | 0 | 0 | 0 | 111.4 | F234 I235 H236 V241 L242 | F234-L238 PolarHBondContact O-N 3.37Å; I235-L238 PolarHBondContact O-N 3.15Å; H236-L238 VanDerWaalsContact C-N 3.31Å; H236-L238 PolarHBondContact O-N 3.35Å; L238-V241 PolarHBondContact O-N 3.48Å; L238-L242 HydrophobicContact CD1-CD1 4.01Å; L238-L242 HydrophobicContact CD1-CG 4.07Å; L238-L242 HydrophobicContact CD2-CD1 4.44Å; L238-L242 HydrophobicContact CG-CD1 3.85Å; L238-L242 HydrophobicContact CG-CG 4.3Å; L238-L242 WeakPolarHBondContact O-CB 3.38Å; L238-L242 VanDerWaalsContact O-CG 3.27Å; L238-L242 WeakPolarHBondContact O-CG 3.3Å; L238-L242 PolarHBondContact O-N 2.89Å |
| 239 | A | 80.4 | Confident | 76.8 | Confident | 8 Ų | 8 | 67.9 Ų | 67.9 | 7% | 0.066 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L191 I235 H236 Y237 L242 L243 | L191-A239 HydrophobicContact CD1-CB 3.64Å; L191-A239 HydrophobicContact CD2-CB 4.17Å; L191-A239 HydrophobicContact CG-CB 4.46Å; I235-A239 WeakPolarHBondContact O-CB 3.37Å; I235-A239 PolarHBondContact O-N 2.98Å; H236-A239 CarbonylContact O-C 3.5Å; H236-A239 WeakPolarHBondContact O-CA 3.38Å; H236-A239 VanDerWaalsContact O-CB 3.32Å; H236-A239 WeakPolarHBondContact O-CB 3.23Å; H236-A239 PolarHBondContact O-N 3.03Å; H236-A239 VanDerWaalsContact O-N 3.09Å; Y237-A239 VanDerWaalsContact C-N 3.31Å; Y237-A239 PolarHBondContact O-N 3.41Å; A239-L242 PolarHBondContact O-N 3.49Å; A239-L243 WeakPolarHBondContact O-CB 3.48Å; A239-L243 WeakPolarHBondContact O-CG 3.15Å; A239-L243 PolarHBondContact O-N 2.92Å |
| 240 | V | 78.3 | Confident | 75.6 | Confident | 54 Ų | 54 | 71 Ų | 71 | 33% | 0.327 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 175.9 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | H236 Y237 L243 E244 | H236-V240 WeakPolarHBondContact NE2-CG2 3.23Å; H236-V240 WeakPolarHBondContact O-CG2 3.39Å; H236-V240 PolarHBondContact O-N 3.34Å; Y237-V240 PolarHBondContact O-N 3.19Å; V240-L243 PolarHBondContact O-N 2.87Å; V240-E244 HydrophobicContact CG1-CB 4.47Å; V240-E244 HydrophobicContact CG1-CG 3.86Å; V240-E244 WeakPolarHBondContact O-CA 3.43Å; V240-E244 WeakPolarHBondContact O-CB 3.32Å; V240-E244 VanDerWaalsContact O-CG 3.31Å; V240-E244 WeakPolarHBondContact O-CG 3.37Å; V240-E244 PolarHBondContact O-N 3.44Å |
| 241 | V | 77.2 | Confident | 74.9 | Confident | 71 Ų | 71 | 68 Ų | 68 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.8 | -51.3 | 176.6 | 165.3 | 0 | 0 | 0 | 0 | 110.8 | Y237 L238 L243 L245 | Y237-V241 VanDerWaalsContact O-CG2 3.31Å; Y237-V241 WeakPolarHBondContact O-CG2 3.23Å; Y237-V241 PolarHBondContact O-N 2.7Å; L238-V241 PolarHBondContact O-N 3.48Å; V241-L243 PolarHBondContact O-N 2.95Å; V241-L245 HydrophobicContact CB-CD1 4.06Å; V241-L245 HydrophobicContact CG1-CD1 3.46Å; V241-L245 VanDerWaalsContact CG1-CD1 3.46Å; V241-L245 HydrophobicContact CG2-CD1 4.28Å; V241-L245 WeakPolarHBondContact O-CB 3.36Å; V241-L245 PolarHBondContact O-N 2.94Å |
| 242 | L | 70.1 | Confident | 74.7 | Confident | 69 Ų | 69 | 68.4 Ų | 68.4 | 36% | 0.361 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.1 | -32.6 | -177.2 | -69.5 | 175.8 | 0 | 0 | 0 | 113.4 | L238 A239 | L238-L242 HydrophobicContact CD1-CD1 4.01Å; L238-L242 HydrophobicContact CD1-CG 4.07Å; L238-L242 HydrophobicContact CD2-CD1 4.44Å; L238-L242 HydrophobicContact CG-CD1 3.85Å; L238-L242 HydrophobicContact CG-CG 4.3Å; L238-L242 WeakPolarHBondContact O-CB 3.38Å; L238-L242 VanDerWaalsContact O-CG 3.27Å; L238-L242 WeakPolarHBondContact O-CG 3.3Å; L238-L242 PolarHBondContact O-N 2.89Å; A239-L242 PolarHBondContact O-N 3.49Å |
| 243 | L | 67.9 | Low | 74.7 | Confident | 31 Ų | 31 | 69.9 Ų | 69.9 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -91.9 | -34 | -177.7 | -63.2 | 173.2 | 0 | 0 | 0 | 113.2 | R188 L191 A239 V240 V241 Q247 | R188-L243 HydrophobicContact CG-CD1 4.43Å; R188-L243 HydrophobicContact CG-CD2 4.03Å; L191-L243 HydrophobicContact CD1-CD1 4.44Å; A239-L243 WeakPolarHBondContact O-CB 3.48Å; A239-L243 WeakPolarHBondContact O-CG 3.15Å; A239-L243 PolarHBondContact O-N 2.92Å; V240-L243 PolarHBondContact O-N 2.87Å; V241-L243 PolarHBondContact O-N 2.95Å; L243-Q247 VanDerWaalsContact O-CB 3.28Å; L243-Q247 WeakPolarHBondContact O-CB 3.29Å |
| 244 | E | 67 | Low | 74.8 | Confident | 71 Ų | 71 | 69.3 Ų | 69.3 | 33% | 0.332 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -91.3 | -40 | -178.5 | -60.5 | -63.2 | 139.7 | 0 | 0 | 113.4 | R175 V240 R246 Q247 | R175-E244 IonicContact CZ-OE1 2.87Å; R175-E244 VanDerWaalsContact CZ-OE1 3.26Å; R175-E244 IonicContact CZ-OE2 2.89Å; R175-E244 IonicContact NH1-OE1 2.88Å; R175-E244 PolarHBondContact NH1-OE1 2.88Å; R175-E244 IonicContact NH1-OE2 3.26Å; R175-E244 PolarHBondContact NH1-OE2 2.91Å; R175-E244 IonicContact NH2-OE1 3.52Å; R175-E244 PolarHBondContact NH2-OE1 3.49Å; R175-E244 IonicContact NH2-OE2 3.7Å; R175-E244 PolarHBondContact NH2-OE2 3.43Å; V240-E244 HydrophobicContact CG1-CB 4.47Å; V240-E244 HydrophobicContact CG1-CG 3.86Å; V240-E244 WeakPolarHBondContact O-CA 3.43Å; V240-E244 WeakPolarHBondContact O-CB 3.32Å; V240-E244 VanDerWaalsContact O-CG 3.31Å; V240-E244 WeakPolarHBondContact O-CG 3.37Å; V240-E244 PolarHBondContact O-N 3.44Å; E244-R246 VanDerWaalsContact C-N 3.27Å; E244-R246 PolarHBondContact O-N 3.33Å; E244-Q247 CarbonylContact O-C 3.59Å; E244-Q247 PolarHBondContact O-N 3.49Å |
| 245 | L | 56.6 | Low | 75 | Confident | 133 Ų | 133 | 63.5 Ų | 63.5 | 70% | 0.696 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -26.2 | -176.7 | -71.6 | 164 | 0 | 0 | 0 | 112.7 | V241 Q247 | V241-L245 HydrophobicContact CB-CD1 4.06Å; V241-L245 HydrophobicContact CG1-CD1 3.46Å; V241-L245 VanDerWaalsContact CG1-CD1 3.46Å; V241-L245 HydrophobicContact CG2-CD1 4.28Å; V241-L245 WeakPolarHBondContact O-CB 3.36Å; V241-L245 PolarHBondContact O-N 2.94Å; L245-Q247 PolarHBondContact O-N 3.28Å |
| 246 | R | 51.4 | Low | 75.3 | Confident | 192 Ų | 192 | 63 Ų | 63 | 73% | 0.725 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -9.8 | 174.6 | -165.1 | 169.2 | -179 | 156.2 | 2.3 | 112.3 | E244 | E244-R246 VanDerWaalsContact C-N 3.27Å; E244-R246 PolarHBondContact O-N 3.33Å |
| 247 | Q | 44.9 | Very low | 75.7 | Confident | 76 Ų | 76 | 63.2 Ų | 63.2 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | trans | -148.5 | 56.2 | -149.9 | -159.1 | 137.2 | 49.5 | 0 | 0 | 111.1 | L243 E244 L245 Q249 | L243-Q247 VanDerWaalsContact O-CB 3.28Å; L243-Q247 WeakPolarHBondContact O-CB 3.29Å; E244-Q247 CarbonylContact O-C 3.59Å; E244-Q247 PolarHBondContact O-N 3.49Å; L245-Q247 PolarHBondContact O-N 3.28Å; Q247-Q249 HydrophobicContact CB-CG 4.2Å; Q247-Q249 HydrophobicContact CG-CB 4.39Å; Q247-Q249 VanDerWaalsContact CG-CD 3.47Å; Q247-Q249 HydrophobicContact CG-CG 3.03Å; Q247-Q249 PolarHBondContact O-N 2.83Å | ||
| 248 | L | 56 | Low | 76 | Confident | 168 Ų | 168 | 57.3 Ų | 57.3 | 88% | 0.88 | 30% | 0.296 | S | S | * | . | trans | -57.9 | 71.7 | 150.4 | -78 | 159.4 | 0 | 0 | 0 | 108.1 | P250 | L248-P250 WeakPolarHBondContact O-CD 3.43Š| ||
| 249 | Q | 63.8 | Low | 76.2 | Confident | 56 Ų | 56 | 56.7 Ų | 56.7 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | trans | -65.7 | 124.2 | -171 | -72.6 | -177.9 | -20.3 | 0 | 0 | 108.5 | Q247 C251 G270 | Q247-Q249 HydrophobicContact CB-CG 4.2Å; Q247-Q249 HydrophobicContact CG-CB 4.39Å; Q247-Q249 VanDerWaalsContact CG-CD 3.47Å; Q247-Q249 HydrophobicContact CG-CG 3.03Å; Q247-Q249 PolarHBondContact O-N 2.83Å; Q249-C251 PolarHBondContact O-N 2.85Å; Q249-C251 VanDerWaalsContact O-N 3.15Å; Q249-C251 PolarHBondContact O-SG 3.05Å; Q249-G270 VanDerWaalsContact O-CA 3.28Å; Q249-G270 WeakPolarHBondContact O-CA 3.38Å | ||
| 250 | P | 68.9 | Low | 76.5 | Confident | 65 Ų | 65 | 58.5 Ų | 58.5 | 42% | 0.422 | 31% | 0.311 | S | S | . | . | trans | -62 | 124.5 | 166.9 | 28.3 | -33.1 | 0 | 0 | 0 | 108.3 | L248 N268 L269 I504 | L248-P250 WeakPolarHBondContact O-CD 3.43Å; P250-N268 HydrophobicContact CB-CB 3.61Å; P250-N268 HydrophobicContact CG-CB 4.41Å; P250-L269 CarbonylContact C-O 3.54Å; P250-I504 HydrophobicContact CB-CD1 3.85Å; P250-I504 HydrophobicContact CG-CD1 4.36Å | ||
| 251 | C | 79.1 | Confident | 76.7 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | trans | -105.3 | -31.7 | -178.7 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | R178 Q249 L269 Q271 I504 | R178-C251 PolarHBondContact NH1-SG 3.44Å; R178-C251 PolarHBondContact NH2-SG 3.03Å; Q249-C251 PolarHBondContact O-N 2.85Å; Q249-C251 VanDerWaalsContact O-N 3.15Å; Q249-C251 PolarHBondContact O-SG 3.05Å; C251-L269 PolarHBondContact N-O 3.48Å; C251-Q271 HydrophobicContact CB-CG 4.27Å; C251-Q271 PolarHBondContact SG-N 3.41Å; C251-Q271 VanDerWaalsContact SG-N 3.42Å; C251-I504 PolarHBondContact O-N 2.91Å | ||
| 252 | Y | 87.4 | Confident | 77.2 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 11% | 0.114 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.7 | -174.3 | -61.4 | -78.5 | 0 | 0 | 0 | 109 | N268 L269 Q271 L482 R502 K503 | Y252-N268 CarbonylContact O-C 3.59Å; Y252-N268 WeakPolarHBondContact O-CA 3.34Å; Y252-L269 PolarHBondContact N-O 2.88Å; Y252-L269 PolarHBondContact O-N 3.28Å; Y252-Q271 HydrophobicContact CE2-CG 4.44Å; Y252-L482 HydrophobicContact CD1-CD2 4.38Å; Y252-L482 HydrophobicContact CD2-CB 4.11Å; Y252-L482 HydrophobicContact CD2-CD2 3.78Å; Y252-L482 HydrophobicContact CD2-CG 4.22Å; Y252-L482 HydrophobicContact CE2-CB 4.06Å; Y252-L482 WeakPolarHBondContact CE2-O 3.42Å; Y252-L482 HydrophobicContact CG-CD2 3.69Å; Y252-L482 HydrophobicContact CG-CG 4.22Å; Y252-L482 PolarHBondContact OH-O 2.96Å; Y252-R502 CarbonylContact C-O 3.47Å; Y252-R502 VanDerWaalsContact CA-O 3.22Å; Y252-R502 WeakPolarHBondContact CA-O 3.3Å; Y252-K503 HydrophobicContact CD1-CB 4.24Å; Y252-K503 HydrophobicContact CE1-CB 4.16Å; Y252-K503 HydrophobicContact CE1-CG 4.35Å |
| 253 | S | 91.8 | Very high | 78 | Confident | 37 Ų | 37 | 57.2 Ų | 57.2 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 126.5 | 161.5 | -169.4 | 0 | 0 | 0 | 0 | 107.7 | Y267 R502 | S253-Y267 CarbonylContact C-O 3.35Å; S253-Y267 WeakPolarHBondContact CA-O 3.17Å; S253-R502 PolarHBondContact N-O 3.01Å; S253-R502 PolarHBondContact O-N 2.87Å |
| 254 | V | 93.9 | Very high | 79.2 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 117.7 | -173.8 | 177.8 | 0 | 0 | 0 | 0 | 108.4 | V256 H266 Y267 L269 V281 L482 V499 T500 | V254-V256 HydrophobicContact CG1-CG2 4.08Å; V254-H266 CarbonylContact O-C 3.6Å; V254-H266 WeakPolarHBondContact O-CA 3.48Å; V254-Y267 PolarHBondContact N-O 3.16Å; V254-Y267 PolarHBondContact O-N 2.85Å; V254-L269 HydrophobicContact CB-CD1 4.31Å; V254-L269 HydrophobicContact CB-CG 4.49Å; V254-L269 HydrophobicContact CG2-CB 4.31Å; V254-L269 HydrophobicContact CG2-CD1 3.77Å; V254-L269 HydrophobicContact CG2-CG 4.02Å; V254-V281 HydrophobicContact CG1-CG2 4.37Å; V254-L482 HydrophobicContact CG2-CD2 3.92Å; V254-V499 HydrophobicContact CG1-CG1 3.08Å; V254-T500 CarbonylContact C-O 3.6Å; V254-T500 WeakPolarHBondContact CA-O 3.39Å |
| 255 | C | 95.3 | Very high | 80.4 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 18% | 0.176 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 119.1 | 173.4 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | H266 V499 T500 | C255-H266 PolarHBondContact SG-NE2 2.92Å; C255-H266 VanDerWaalsContact SG-NE2 3.37Å; C255-V499 WeakPolarHBondContact O-CA 3.27Å; C255-T500 WeakPolarHBondContact CB-OG1 3.3Å; C255-T500 PolarHBondContact N-O 3.2Å; C255-T500 PolarHBondContact O-N 3.41Å; C255-T500 PolarHBondContact O-OG1 3.03Å |
| 256 | V | 95.5 | Very high | 82.2 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 117.6 | 179.5 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | V254 T264 R265 Y267 V281 F289 L497 V499 | V254-V256 HydrophobicContact CG1-CG2 4.08Å; V256-T264 CarbonylContact O-C 3.46Å; V256-T264 VanDerWaalsContact O-CA 3.3Å; V256-T264 WeakPolarHBondContact O-CA 3.33Å; V256-R265 PolarHBondContact N-O 2.77Å; V256-R265 PolarHBondContact O-N 3.26Å; V256-Y267 HydrophobicContact CB-CD2 4.39Å; V256-Y267 HydrophobicContact CB-CE2 4.18Å; V256-Y267 HydrophobicContact CG2-CD2 3.66Å; V256-Y267 HydrophobicContact CG2-CE2 3.87Å; V256-V281 HydrophobicContact CB-CG1 4.38Å; V256-V281 HydrophobicContact CG1-CG1 3.8Å; V256-V281 HydrophobicContact CG2-CB 4.44Å; V256-V281 HydrophobicContact CG2-CG1 3.61Å; V256-V281 HydrophobicContact CG2-CG2 3.94Å; V256-F289 HydrophobicContact CB-CE2 4.47Å; V256-F289 HydrophobicContact CB-CZ 4.06Å; V256-F289 HydrophobicContact CG1-CE2 4.21Å; V256-F289 HydrophobicContact CG1-CZ 3.76Å; V256-L497 HydrophobicContact CG1-CB 4.14Å; V256-L497 HydrophobicContact CG1-CD1 4.24Å; V256-L497 HydrophobicContact CG1-CD2 4.44Å; V256-V499 HydrophobicContact CG1-CG2 4.37Å; V256-V499 HydrophobicContact CG2-CG1 4.22Å; V256-V499 HydrophobicContact CG2-CG2 4.29Å |
| 257 | T | 94.7 | Very high | 84.2 | Confident | 40 Ų | 40 | 51.5 Ų | 51.5 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127.1 | -179 | -57.6 | 0 | 0 | 0 | 0 | 109.9 | A259 E263 T264 L497 V498 | T257-A259 PolarHBondContact O-N 3.12Å; T257-E263 WeakPolarHBondContact CA-O 3.42Å; T257-T264 HydrophobicContact CG2-CG2 3.74Å; T257-T264 VanDerWaalsContact OG1-CG2 3.29Å; T257-T264 WeakPolarHBondContact OG1-CG2 3.31Å; T257-L497 CarbonylContact O-C 3.58Å; T257-L497 WeakPolarHBondContact O-CA 3.17Å; T257-V498 PolarHBondContact N-O 3.14Å; T257-V498 PolarHBondContact O-N 3Å |
| 258 | R | 91.4 | Very high | 86.3 | Confident | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.011 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 120.3 | 172.1 | -176.5 | 162.5 | 58.7 | -158.7 | -3.7 | 109.6 | T260 D261 G262 E263 Y285 F289 P290 F495 L497 | R258-T260 WeakPolarHBondContact CG-OG1 3.34Å; R258-T260 PolarHBondContact O-N 3.14Å; R258-T260 VanDerWaalsContact O-N 3.08Å; R258-D261 WeakPolarHBondContact CB-OD1 3.44Å; R258-D261 WeakPolarHBondContact CG-OD1 3.37Å; R258-D261 IonicContact CZ-OD1 3.56Å; R258-D261 IonicContact CZ-OD2 3.11Å; R258-D261 IonicContact NE-OD1 2.73Å; R258-D261 PolarHBondContact NE-OD1 3.07Å; R258-D261 IonicContact NE-OD2 3Å; R258-D261 PolarHBondContact NE-OD2 3.34Å; R258-D261 IonicContact NH2-OD1 3.55Å; R258-D261 IonicContact NH2-OD2 2.63Å; R258-D261 PolarHBondContact NH2-OD2 3.41Å; R258-G262 WeakPolarHBondContact O-CA 3.19Å; R258-G262 PolarHBondContact O-N 3.39Å; R258-E263 PolarHBondContact N-O 2.91Å; R258-Y285 PolarHBondContact NH1-OH 3.48Å; R258-F289 HydrophobicContact CB-CE1 4.45Å; R258-P290 PolarHBondContact NH1-O 3.46Å; R258-P290 PolarHBondContact NH2-O 3.29Å; R258-F495 HydrophobicContact CG-CD2 3.74Å; R258-F495 HydrophobicContact CG-CE2 4.21Å; R258-F495 HydrophobicContact CG-CG 4.36Å; R258-L497 HydrophobicContact CB-CD2 3.83Å; R258-L497 HydrophobicContact CG-CD2 4.11Å |
| 259 | A | 89.2 | Confident | 87.9 | Confident | 56 Ų | 56 | 45.5 Ų | 45.5 | 46% | 0.463 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.3 | -170 | 0 | 0 | 0 | 0 | 0 | 114.4 | T257 S496 V498 | T257-A259 PolarHBondContact O-N 3.12Å; A259-S496 WeakPolarHBondContact CB-O 3.37Å; A259-S496 VanDerWaalsContact CB-OG 3.31Å; A259-S496 WeakPolarHBondContact CB-OG 3.33Å; A259-S496 PolarHBondContact N-O 3.31Å; A259-V498 HydrophobicContact CB-CG2 4.35Å |
| 260 | T | 85.4 | Confident | 88.8 | Confident | 45 Ų | 45 | 43.7 Ų | 43.7 | 28% | 0.276 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -43.8 | -171.5 | 45.3 | 0 | 0 | 0 | 0 | 113.3 | R258 H292 L297 F495 | R258-T260 WeakPolarHBondContact CG-OG1 3.34Å; R258-T260 PolarHBondContact O-N 3.14Å; R258-T260 VanDerWaalsContact O-N 3.08Å; T260-H292 PolarHBondContact OG1-CE1 3.36Å; T260-H292 PolarHBondContact OG1-ND1 3.38Å; T260-L297 HydrophobicContact CG2-CD1 4.29Å; T260-L297 WeakPolarHBondContact O-CD2 3.29Å; T260-F495 HydrophobicContact CG2-CB 3.45Å; T260-F495 VanDerWaalsContact CG2-CB 3.45Å |
| 261 | D | 84 | Confident | 89.4 | Confident | 69 Ų | 69 | 46.9 Ų | 46.9 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -4 | -178.4 | 58.7 | 0.8 | 0 | 0 | 0 | 114.4 | R258 E263 H292 L297 | R258-D261 WeakPolarHBondContact CB-OD1 3.44Å; R258-D261 WeakPolarHBondContact CG-OD1 3.37Å; R258-D261 IonicContact CZ-OD1 3.56Å; R258-D261 IonicContact CZ-OD2 3.11Å; R258-D261 IonicContact NE-OD1 2.73Å; R258-D261 PolarHBondContact NE-OD1 3.07Å; R258-D261 IonicContact NE-OD2 3Å; R258-D261 PolarHBondContact NE-OD2 3.34Å; R258-D261 IonicContact NH2-OD1 3.55Å; R258-D261 IonicContact NH2-OD2 2.63Å; R258-D261 PolarHBondContact NH2-OD2 3.41Å; D261-E263 VanDerWaalsContact C-N 3.29Å; D261-E263 PolarHBondContact O-N 3.23Å; D261-E263 PolarHBondContact OD1-N 3.47Å; D261-H292 IonicContact OD2-ND1 3.96Å; D261-L297 HydrophobicContact CB-CD2 4.44Å |
| 262 | G | 86.4 | Confident | 89.6 | Confident | 42 Ų | 42 | 48.1 Ų | 48.1 | 43% | 0.433 | 27% | 0.268 | S | S | . | . | trans | 75.5 | 12.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R258 T264 | R258-G262 WeakPolarHBondContact O-CA 3.19Å; R258-G262 PolarHBondContact O-N 3.39Å; G262-T264 WeakPolarHBondContact O-CG2 3.36Å; G262-T264 PolarHBondContact O-N 3.5Å | ||
| 263 | E | 88.4 | Confident | 89.6 | Confident | 57 Ų | 57 | 48 Ų | 48 | 27% | 0.266 | 27% | 0.271 | S | S | . | . | trans | -61.7 | 126.4 | 172.6 | 180 | 69.7 | -172.1 | 0 | 0 | 109.2 | T257 R258 D261 R265 F289 P290 | T257-E263 WeakPolarHBondContact CA-O 3.42Å; R258-E263 PolarHBondContact N-O 2.91Å; D261-E263 VanDerWaalsContact C-N 3.29Å; D261-E263 PolarHBondContact O-N 3.23Å; D261-E263 PolarHBondContact OD1-N 3.47Å; E263-R265 IonicContact OE1-CZ 3.57Å; E263-R265 IonicContact OE1-NE 3.17Å; E263-R265 PolarHBondContact OE1-NE 2.82Å; E263-R265 VanDerWaalsContact OE1-NE 3.17Å; E263-R265 IonicContact OE1-NH2 2.6Å; E263-R265 PolarHBondContact OE1-NH2 2.63Å; E263-F289 HydrophobicContact CB-CD1 4.39Å; E263-F289 HydrophobicContact CB-CE1 4.39Å; E263-F289 HydrophobicContact CG-CD1 3.84Å; E263-F289 HydrophobicContact CG-CE1 3.99Å; E263-P290 HydrophobicContact CG-CG 4.1Å | ||
| 264 | T | 92.6 | Very high | 89.5 | Confident | 65 Ų | 65 | 46.3 Ų | 46.3 | 40% | 0.399 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 136.5 | -176.8 | 62.5 | 0 | 0 | 0 | 0 | 112.1 | V256 T257 G262 | V256-T264 CarbonylContact O-C 3.46Å; V256-T264 VanDerWaalsContact O-CA 3.3Å; V256-T264 WeakPolarHBondContact O-CA 3.33Å; T257-T264 HydrophobicContact CG2-CG2 3.74Å; T257-T264 VanDerWaalsContact OG1-CG2 3.29Å; T257-T264 WeakPolarHBondContact OG1-CG2 3.31Å; G262-T264 WeakPolarHBondContact O-CG2 3.36Å; G262-T264 PolarHBondContact O-N 3.5Å |
| 265 | R | 92.7 | Very high | 89.3 | Confident | 104 Ų | 104 | 50.7 Ų | 50.7 | 39% | 0.392 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 153 | 170.5 | -62.5 | -66.7 | 172.5 | 140 | -1.3 | 110.6 | V256 E263 Y267 F289 | V256-R265 PolarHBondContact N-O 2.77Å; V256-R265 PolarHBondContact O-N 3.26Å; E263-R265 IonicContact OE1-CZ 3.57Å; E263-R265 IonicContact OE1-NE 3.17Å; E263-R265 PolarHBondContact OE1-NE 2.82Å; E263-R265 VanDerWaalsContact OE1-NE 3.17Å; E263-R265 IonicContact OE1-NH2 2.6Å; E263-R265 PolarHBondContact OE1-NH2 2.63Å; R265-Y267 HydrophobicContact CB-CE1 4.49Å; R265-Y267 HydrophobicContact CB-CE2 3.86Å; R265-F289 HydrophobicContact CB-CE2 3.63Å; R265-F289 HydrophobicContact CB-CZ 3.74Å; R265-F289 HydrophobicContact CG-CD2 4Å; R265-F289 HydrophobicContact CG-CE1 4.26Å; R265-F289 HydrophobicContact CG-CE2 3.55Å; R265-F289 HydrophobicContact CG-CZ 3.69Å |
| 266 | H | 93.5 | Very high | 89 | Confident | 121 Ų | 121 | 57 Ų | 57 | 56% | 0.56 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 131 | -178 | -63.5 | 82.8 | 0 | 0 | 0 | 109.7 | V254 C255 | V254-H266 CarbonylContact O-C 3.6Å; V254-H266 WeakPolarHBondContact O-CA 3.48Å; C255-H266 PolarHBondContact SG-NE2 2.92Å; C255-H266 VanDerWaalsContact SG-NE2 3.37Å |
| 267 | Y | 92.3 | Very high | 88.7 | Confident | 17 Ų | 17 | 57 Ų | 57 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.9 | -178.6 | -58.8 | -63.7 | 0 | 0 | 0 | 111.2 | S253 V254 V256 R265 H284 D288 F289 | S253-Y267 CarbonylContact C-O 3.35Å; S253-Y267 WeakPolarHBondContact CA-O 3.17Å; V254-Y267 PolarHBondContact N-O 3.16Å; V254-Y267 PolarHBondContact O-N 2.85Å; V256-Y267 HydrophobicContact CB-CD2 4.39Å; V256-Y267 HydrophobicContact CB-CE2 4.18Å; V256-Y267 HydrophobicContact CG2-CD2 3.66Å; V256-Y267 HydrophobicContact CG2-CE2 3.87Å; R265-Y267 HydrophobicContact CB-CE1 4.49Å; R265-Y267 HydrophobicContact CB-CE2 3.86Å; Y267-H284 HydrophobicContact CD1-CB 4.14Å; Y267-H284 AromaticContact CD1-CD2 3.53Å; Y267-H284 AromaticContact CD1-CG 3.95Å; Y267-H284 HydrophobicContact CD2-CB 4.37Å; Y267-H284 HydrophobicContact CE1-CB 3.71Å; Y267-H284 AromaticContact CE1-CD2 3.63Å; Y267-H284 AromaticContact CE1-CG 3.93Å; Y267-H284 HydrophobicContact CE2-CB 3.93Å; Y267-H284 HydrophobicContact CG-CB 4.44Å; Y267-D288 WeakPolarHBondContact CE1-OD2 3.34Å; Y267-D288 WeakPolarHBondContact OH-CB 3.43Å; Y267-D288 PolarHBondContact OH-OD2 3.13Å; Y267-F289 HydrophobicContact CE2-CE2 4.08Å; Y267-F289 WeakPolarHBondContact OH-CE2 3.31Å |
| 268 | N | 90.8 | Very high | 88.6 | Confident | 107 Ų | 107 | 55.2 Ų | 55.2 | 57% | 0.572 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 113.8 | 178.2 | -74.5 | -26 | 0 | 0 | 0 | 108.8 | P250 Y252 | P250-N268 HydrophobicContact CB-CB 3.61Å; P250-N268 HydrophobicContact CG-CB 4.41Å; Y252-N268 CarbonylContact O-C 3.59Å; Y252-N268 WeakPolarHBondContact O-CA 3.34Å |
| 269 | L | 88.3 | Confident | 88.6 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 146.5 | -176.8 | -60.6 | -172.9 | 0 | 0 | 0 | 111.5 | P250 C251 Y252 V254 L272 A277 A280 V281 | P250-L269 CarbonylContact C-O 3.54Å; C251-L269 PolarHBondContact N-O 3.48Å; Y252-L269 PolarHBondContact N-O 2.88Å; Y252-L269 PolarHBondContact O-N 3.28Å; V254-L269 HydrophobicContact CB-CD1 4.31Å; V254-L269 HydrophobicContact CB-CG 4.49Å; V254-L269 HydrophobicContact CG2-CB 4.31Å; V254-L269 HydrophobicContact CG2-CD1 3.77Å; V254-L269 HydrophobicContact CG2-CG 4.02Å; L269-L272 HydrophobicContact CB-CD1 4.46Å; L269-A277 HydrophobicContact CD1-CB 3.95Å; L269-A280 HydrophobicContact CD2-CB 4.24Å; L269-V281 HydrophobicContact CD1-CG2 4.37Å |
| 270 | G | 83 | Confident | 88.6 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | trans | -75.6 | -164.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q249 L272 | Q249-G270 VanDerWaalsContact O-CA 3.28Å; Q249-G270 WeakPolarHBondContact O-CA 3.38Å; G270-L272 PolarHBondContact O-N 3.19Å | ||
| 271 | Q | 81.6 | Confident | 89 | Confident | 131 Ų | 131 | 56.2 Ų | 56.2 | 61% | 0.612 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -74.4 | 89.4 | 170.1 | -84.7 | 173.8 | -16.5 | 0 | 0 | 109.7 | C251 Y252 | C251-Q271 HydrophobicContact CB-CG 4.27Å; C251-Q271 PolarHBondContact SG-N 3.41Å; C251-Q271 VanDerWaalsContact SG-N 3.42Å; Y252-Q271 HydrophobicContact CE2-CG 4.44Å |
| 272 | L | 82.9 | Confident | 89.3 | Confident | 33 Ų | 33 | 54 Ų | 54 | 17% | 0.173 | 28% | 0.276 | C | S | . | . | trans | -113.9 | 154.6 | 177.6 | -62.5 | 174 | 0 | 0 | 0 | 110 | L269 G270 R276 A277 L482 | L269-L272 HydrophobicContact CB-CD1 4.46Å; G270-L272 PolarHBondContact O-N 3.19Å; L272-R276 HydrophobicContact CB-CB 4.13Å; L272-R276 HydrophobicContact CD2-CB 4.29Å; L272-A277 HydrophobicContact CB-CB 4.32Å; L272-L482 PolarHBondContact O-N 3.27Å | ||
| 273 | S | 87.7 | Confident | 89.4 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -68 | 158.4 | 164.3 | 61.9 | 0 | 0 | 0 | 0 | 110.4 | Q275 R276 A277 S480 | S273-Q275 PolarHBondContact O-N 3.46Å; S273-R276 PolarHBondContact O-N 3.16Å; S273-R276 VanDerWaalsContact O-N 3.07Å; S273-R276 WeakPolarHBondContact OG-CG 3.28Å; S273-R276 PolarHBondContact OG-N 3.41Å; S273-A277 WeakPolarHBondContact O-CB 3.17Å; S273-A277 PolarHBondContact O-N 3.15Å; S273-S480 CarbonylContact C-O 3.58Å; S273-S480 VanDerWaalsContact CA-O 3.23Å; S273-S480 WeakPolarHBondContact CA-O 3.21Å |
| 274 | I | 89.1 | Confident | 89.5 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.3 | -39.1 | 177.3 | -61.2 | 174.5 | 0 | 0 | 0 | 110.6 | A277 A278 L472 A476 V478 S480 F488 | I274-A277 PolarHBondContact O-N 3.31Å; I274-A278 VanDerWaalsContact O-CB 3.27Å; I274-A278 WeakPolarHBondContact O-CB 3.42Å; I274-A278 PolarHBondContact O-N 3.44Å; I274-L472 HydrophobicContact CG2-CD1 4.26Å; I274-L472 HydrophobicContact CG2-CD2 4.45Å; I274-A476 HydrophobicContact CD1-CB 3.8Å; I274-V478 HydrophobicContact CB-CG1 4.32Å; I274-V478 HydrophobicContact CG2-CG1 4.1Å; I274-V478 PolarHBondContact N-O 3.02Å; I274-S480 PolarHBondContact N-O 3.01Å; I274-F488 HydrophobicContact CG2-CB 4.11Å; I274-F488 HydrophobicContact CG2-CD1 3.89Å; I274-F488 HydrophobicContact CG2-CD2 4.31Å; I274-F488 HydrophobicContact CG2-CE1 4.34Å; I274-F488 HydrophobicContact CG2-CG 3.86Å |
| 275 | Q | 91.1 | Very high | 89.3 | Confident | 93 Ų | 93 | 55.7 Ų | 55.7 | 44% | 0.435 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59 | -48 | 173.4 | -73.7 | 173.6 | -16 | 0 | 0 | 113.3 | S273 A278 L279 L472 V478 | S273-Q275 PolarHBondContact O-N 3.46Å; Q275-A278 WeakPolarHBondContact O-CB 3.16Å; Q275-A278 PolarHBondContact O-N 2.83Å; Q275-L279 PolarHBondContact O-N 3.34Å; Q275-L279 VanDerWaalsContact O-N 3.16Å; Q275-L472 HydrophobicContact CG-CD2 4.22Å; Q275-V478 HydrophobicContact CB-CG1 4.38Å; Q275-V478 HydrophobicContact CG-CB 3.74Å; Q275-V478 HydrophobicContact CG-CG1 3.3Å; Q275-V478 WeakPolarHBondContact CG-O 3.27Å; Q275-V478 PolarHBondContact N-O 3.04Å |
| 276 | R | 87.6 | Confident | 89 | Confident | 157 Ų | 157 | 52.3 Ų | 52.3 | 59% | 0.592 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -70.7 | -37.4 | -179.2 | -71.6 | 178.4 | 69.8 | -164.6 | 1.8 | 111.5 | L272 S273 A278 L279 A280 | L272-R276 HydrophobicContact CB-CB 4.13Å; L272-R276 HydrophobicContact CD2-CB 4.29Å; S273-R276 PolarHBondContact O-N 3.16Å; S273-R276 VanDerWaalsContact O-N 3.07Å; S273-R276 WeakPolarHBondContact OG-CG 3.28Å; S273-R276 PolarHBondContact OG-N 3.41Å; R276-A278 VanDerWaalsContact C-N 3.33Å; R276-L279 PolarHBondContact O-N 2.92Å; R276-A280 PolarHBondContact O-N 2.68Å |
| 277 | A | 90.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L269 L272 S273 I274 A280 V281 F488 | L269-A277 HydrophobicContact CD1-CB 3.95Å; L272-A277 HydrophobicContact CB-CB 4.32Å; S273-A277 WeakPolarHBondContact O-CB 3.17Å; S273-A277 PolarHBondContact O-N 3.15Å; I274-A277 PolarHBondContact O-N 3.31Å; A277-A280 PolarHBondContact O-N 2.76Å; A277-V281 VanDerWaalsContact O-CG2 3.3Å; A277-V281 WeakPolarHBondContact O-CG2 3.32Å; A277-V281 PolarHBondContact O-N 3.49Å; A277-F488 HydrophobicContact CB-CZ 4.27Å |
| 278 | A | 91.9 | Very high | 88.3 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.9 | -46 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I274 Q275 R276 V281 I282 L472 F488 L490 | I274-A278 VanDerWaalsContact O-CB 3.27Å; I274-A278 WeakPolarHBondContact O-CB 3.42Å; I274-A278 PolarHBondContact O-N 3.44Å; Q275-A278 WeakPolarHBondContact O-CB 3.16Å; Q275-A278 PolarHBondContact O-N 2.83Å; R276-A278 VanDerWaalsContact C-N 3.33Å; A278-V281 PolarHBondContact O-N 3.43Å; A278-I282 VanDerWaalsContact O-CG1 3.31Å; A278-I282 WeakPolarHBondContact O-CG1 3.41Å; A278-I282 PolarHBondContact O-N 2.87Å; A278-L472 HydrophobicContact CB-CD1 4Å; A278-L472 HydrophobicContact CB-CD2 3.59Å; A278-L472 HydrophobicContact CB-CG 4.36Å; A278-F488 HydrophobicContact CB-CE2 3.97Å; A278-L490 HydrophobicContact CB-CD2 3.54Å |
| 279 | L | 91.2 | Very high | 88.2 | Confident | 108 Ų | 108 | 47.3 Ų | 47.3 | 57% | 0.565 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -61.7 | -47.1 | 175.9 | -71.2 | 173.7 | 0 | 0 | 0 | 111.5 | Q275 R276 V281 I282 E283 | Q275-L279 PolarHBondContact O-N 3.34Å; Q275-L279 VanDerWaalsContact O-N 3.16Å; R276-L279 PolarHBondContact O-N 2.92Å; L279-V281 VanDerWaalsContact C-N 3.3Å; L279-V281 PolarHBondContact O-N 3.26Å; L279-I282 PolarHBondContact O-N 2.87Å; L279-I282 VanDerWaalsContact O-N 3.09Å; L279-E283 WeakPolarHBondContact O-CG 3.34Å; L279-E283 PolarHBondContact O-N 2.85Å |
| 280 | A | 90.5 | Very high | 88 | Confident | 15 Ų | 15 | 47.8 Ų | 47.8 | 12% | 0.124 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.8 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L269 R276 A277 I282 E283 H284 | L269-A280 HydrophobicContact CD2-CB 4.24Å; R276-A280 PolarHBondContact O-N 2.68Å; A277-A280 PolarHBondContact O-N 2.76Å; A280-I282 VanDerWaalsContact C-N 3.33Å; A280-I282 PolarHBondContact O-N 2.87Å; A280-E283 PolarHBondContact O-N 3.44Å; A280-H284 PolarHBondContact O-N 3.45Å; A280-H284 PolarHBondContact O-ND1 3.2Å |
| 281 | V | 92.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.7 | -38 | 176.5 | 167.7 | 0 | 0 | 0 | 0 | 112 | V254 V256 L269 A277 A278 L279 H284 Y285 L490 V499 | V254-V281 HydrophobicContact CG1-CG2 4.37Å; V256-V281 HydrophobicContact CB-CG1 4.38Å; V256-V281 HydrophobicContact CG1-CG1 3.8Å; V256-V281 HydrophobicContact CG2-CB 4.44Å; V256-V281 HydrophobicContact CG2-CG1 3.61Å; V256-V281 HydrophobicContact CG2-CG2 3.94Å; L269-V281 HydrophobicContact CD1-CG2 4.37Å; A277-V281 VanDerWaalsContact O-CG2 3.3Å; A277-V281 WeakPolarHBondContact O-CG2 3.32Å; A277-V281 PolarHBondContact O-N 3.49Å; A278-V281 PolarHBondContact O-N 3.43Å; L279-V281 VanDerWaalsContact C-N 3.3Å; L279-V281 PolarHBondContact O-N 3.26Å; V281-H284 PolarHBondContact O-N 3.09Å; V281-Y285 VanDerWaalsContact O-CB 3.31Å; V281-Y285 WeakPolarHBondContact O-CB 3.46Å; V281-Y285 PolarHBondContact O-N 2.94Å; V281-L490 HydrophobicContact CB-CD1 4.07Å; V281-L490 HydrophobicContact CG1-CD1 3.62Å; V281-V499 HydrophobicContact CG1-CG2 4.04Å; V281-V499 HydrophobicContact CG2-CG1 4.33Å |
| 282 | I | 90.6 | Very high | 87.9 | Confident | 24 Ų | 24 | 41.9 Ų | 41.9 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.1 | -41.6 | 176.9 | -68.8 | 165.9 | 0 | 0 | 0 | 110.9 | A278 L279 A280 Y285 Y286 W470 L490 | A278-I282 VanDerWaalsContact O-CG1 3.31Å; A278-I282 WeakPolarHBondContact O-CG1 3.41Å; A278-I282 PolarHBondContact O-N 2.87Å; L279-I282 PolarHBondContact O-N 2.87Å; L279-I282 VanDerWaalsContact O-N 3.09Å; A280-I282 VanDerWaalsContact C-N 3.33Å; A280-I282 PolarHBondContact O-N 2.87Å; I282-Y285 WeakPolarHBondContact O-CB 3.29Å; I282-Y285 PolarHBondContact O-N 3.45Å; I282-Y286 HydrophobicContact CG2-CD2 3.8Å; I282-Y286 HydrophobicContact CG2-CE2 3.42Å; I282-Y286 VanDerWaalsContact CG2-CE2 3.42Å; I282-Y286 WeakPolarHBondContact O-CD2 3.47Å; I282-Y286 PolarHBondContact O-N 3.24Å; I282-Y286 VanDerWaalsContact O-N 3.09Å; I282-W470 HydrophobicContact CD1-CB 3.75Å; I282-W470 HydrophobicContact CD1-CD2 4.12Å; I282-W470 HydrophobicContact CD1-CG 3.68Å; I282-W470 HydrophobicContact CG1-CD2 4.17Å; I282-W470 HydrophobicContact CG1-CG 4.21Å; I282-L490 HydrophobicContact CD1-CD1 4.49Å; I282-L490 HydrophobicContact CD1-CD2 4.5Å; I282-L490 HydrophobicContact CG1-CD1 3.95Å |
| 283 | E | 89.3 | Confident | 87.8 | Confident | 128 Ų | 128 | 41 Ų | 41 | 60% | 0.598 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -60.4 | -48.2 | 175.4 | -69.9 | 170.9 | 179.6 | 0 | 0 | 111.1 | L279 A280 Y285 Y286 C287 | L279-E283 WeakPolarHBondContact O-CG 3.34Å; L279-E283 PolarHBondContact O-N 2.85Å; A280-E283 PolarHBondContact O-N 3.44Å; E283-Y285 VanDerWaalsContact C-N 3.32Å; E283-Y285 PolarHBondContact O-N 2.97Å; E283-Y286 PolarHBondContact O-N 3.49Å; E283-C287 PolarHBondContact O-N 3.38Å; E283-C287 PolarHBondContact O-SG 2.95Å; E283-C287 VanDerWaalsContact O-SG 3.39Å |
| 284 | H | 89.8 | Confident | 87.3 | Confident | 70 Ų | 70 | 43.1 Ų | 43.1 | 32% | 0.324 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.7 | -35.6 | 175.9 | -70.1 | 82.5 | 0 | 0 | 0 | 112.3 | Y267 A280 V281 Y286 C287 D288 | Y267-H284 HydrophobicContact CD1-CB 4.14Å; Y267-H284 AromaticContact CD1-CD2 3.53Å; Y267-H284 AromaticContact CD1-CG 3.95Å; Y267-H284 HydrophobicContact CD2-CB 4.37Å; Y267-H284 HydrophobicContact CE1-CB 3.71Å; Y267-H284 AromaticContact CE1-CD2 3.63Å; Y267-H284 AromaticContact CE1-CG 3.93Å; Y267-H284 HydrophobicContact CE2-CB 3.93Å; Y267-H284 HydrophobicContact CG-CB 4.44Å; A280-H284 PolarHBondContact O-N 3.45Å; A280-H284 PolarHBondContact O-ND1 3.2Å; V281-H284 PolarHBondContact O-N 3.09Å; H284-Y286 VanDerWaalsContact C-N 3.3Å; H284-Y286 PolarHBondContact O-N 3.41Å; H284-C287 PolarHBondContact O-N 3.39Å; H284-D288 WeakPolarHBondContact O-CB 3.37Å; H284-D288 PolarHBondContact O-N 3.29Å |
| 285 | Y | 88.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.6 | -45.6 | 175 | 174.9 | -95.4 | 0 | 0 | 0 | 111.1 | R258 V281 I282 E283 C287 F289 T457 W470 F495 L497 | R258-Y285 PolarHBondContact NH1-OH 3.48Å; V281-Y285 VanDerWaalsContact O-CB 3.31Å; V281-Y285 WeakPolarHBondContact O-CB 3.46Å; V281-Y285 PolarHBondContact O-N 2.94Å; I282-Y285 WeakPolarHBondContact O-CB 3.29Å; I282-Y285 PolarHBondContact O-N 3.45Å; E283-Y285 VanDerWaalsContact C-N 3.32Å; E283-Y285 PolarHBondContact O-N 2.97Å; Y285-C287 VanDerWaalsContact C-N 3.26Å; Y285-C287 PolarHBondContact O-N 2.92Å; Y285-F289 HydrophobicContact CD2-CB 3.56Å; Y285-F289 AromaticContact CD2-CD1 3.77Å; Y285-F289 HydrophobicContact CD2-CD1 3.77Å; Y285-F289 AromaticContact CD2-CD2 3.58Å; Y285-F289 HydrophobicContact CD2-CD2 3.58Å; Y285-F289 HydrophobicContact CD2-CE1 4.32Å; Y285-F289 HydrophobicContact CD2-CE2 4.12Å; Y285-F289 AromaticContact CD2-CG 3.34Å; Y285-F289 HydrophobicContact CD2-CG 3.34Å; Y285-F289 HydrophobicContact CD2-CZ 4.47Å; Y285-F289 HydrophobicContact CE2-CB 3.5Å; Y285-F289 VanDerWaalsContact CE2-CB 3.5Å; Y285-F289 AromaticContact CE2-CD1 3.7Å; Y285-F289 HydrophobicContact CE2-CD1 3.7Å; Y285-F289 HydrophobicContact CE2-CD2 4.28Å; Y285-F289 HydrophobicContact CE2-CE1 4.47Å; Y285-F289 AromaticContact CE2-CG 3.57Å; Y285-F289 HydrophobicContact CE2-CG 3.57Å; Y285-F289 HydrophobicContact CG-CB 4.31Å; Y285-F289 HydrophobicContact CG-CD2 4.3Å; Y285-F289 HydrophobicContact CG-CG 4.33Å; Y285-F289 WeakPolarHBondContact O-CB 3.47Å; Y285-F289 PolarHBondContact O-N 3.23Å; Y285-F289 VanDerWaalsContact O-N 3.15Å; Y285-T457 HydrophobicContact CE1-CG2 4.22Å; Y285-T457 PolarHBondContact O-OG1 2.94Å; Y285-W470 HydrophobicContact CD1-CH2 4.35Å; Y285-W470 AromaticContact CD1-CZ2 3.94Å; Y285-W470 HydrophobicContact CD1-CZ2 3.94Å; Y285-W470 HydrophobicContact CE1-CH2 4.37Å; Y285-W470 HydrophobicContact CE1-CZ2 4.03Å; Y285-F495 HydrophobicContact CE1-CZ 4.15Å; Y285-F495 HydrophobicContact CE2-CE2 4.19Å; Y285-F495 HydrophobicContact CE2-CZ 4.4Å; Y285-F495 AromaticContact CZ-CE2 3.88Å; Y285-F495 AromaticContact CZ-CZ 3.65Å; Y285-F495 WeakPolarHBondContact OH-CZ 3.5Å; Y285-L497 HydrophobicContact CD2-CD1 3.59Å; Y285-L497 HydrophobicContact CD2-CD2 3.82Å; Y285-L497 HydrophobicContact CD2-CG 4.31Å; Y285-L497 HydrophobicContact CE2-CD1 4.24Å; Y285-L497 HydrophobicContact CE2-CD2 3.78Å; Y285-L497 HydrophobicContact CG-CD1 3.82Å |
| 286 | Y | 86.1 | Confident | 85.9 | Confident | 33 Ų | 33 | 43.9 Ų | 43.9 | 13% | 0.129 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66 | -30 | -179.2 | -76.3 | -56.7 | 0 | 0 | 0 | 113.6 | I282 E283 H284 P456 T457 L458 W465 W470 | I282-Y286 HydrophobicContact CG2-CD2 3.8Å; I282-Y286 HydrophobicContact CG2-CE2 3.42Å; I282-Y286 VanDerWaalsContact CG2-CE2 3.42Å; I282-Y286 WeakPolarHBondContact O-CD2 3.47Å; I282-Y286 PolarHBondContact O-N 3.24Å; I282-Y286 VanDerWaalsContact O-N 3.09Å; E283-Y286 PolarHBondContact O-N 3.49Å; H284-Y286 VanDerWaalsContact C-N 3.3Å; H284-Y286 PolarHBondContact O-N 3.41Å; Y286-P456 WeakPolarHBondContact O-CB 3.26Å; Y286-T457 VanDerWaalsContact CA-OG1 3.3Å; Y286-T457 WeakPolarHBondContact CA-OG1 3.43Å; Y286-T457 PolarHBondContact O-OG1 3.2Å; Y286-L458 WeakPolarHBondContact O-CG 3.37Å; Y286-W465 HydrophobicContact CE1-CB 4.06Å; Y286-W470 AromaticContact CZ-NE1 3.82Å; Y286-W470 PolarHBondContact OH-NE1 3.14Å; Y286-W470 VanDerWaalsContact OH-NE1 3.07Å |
| 287 | C | 85 | Confident | 85.1 | Confident | 71 Ų | 71 | 38.6 Ų | 38.6 | 48% | 0.48 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -87.8 | -31.5 | -178.2 | -65.8 | 0 | 0 | 0 | 0 | 115.2 | E283 H284 Y285 P456 | E283-C287 PolarHBondContact O-N 3.38Å; E283-C287 PolarHBondContact O-SG 2.95Å; E283-C287 VanDerWaalsContact O-SG 3.39Å; H284-C287 PolarHBondContact O-N 3.39Å; Y285-C287 VanDerWaalsContact C-N 3.26Å; Y285-C287 PolarHBondContact O-N 2.92Å; C287-P456 VanDerWaalsContact O-CB 3.3Å; C287-P456 WeakPolarHBondContact O-CB 3.43Å |
| 288 | D | 86.5 | Confident | 84.1 | Confident | 69 Ų | 69 | 41.7 Ų | 41.7 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -119.8 | -23.3 | -168 | -57.2 | -34.8 | 0 | 0 | 0 | 114.2 | Y267 H284 | Y267-D288 WeakPolarHBondContact CE1-OD2 3.34Å; Y267-D288 WeakPolarHBondContact OH-CB 3.43Å; Y267-D288 PolarHBondContact OH-OD2 3.13Å; H284-D288 WeakPolarHBondContact O-CB 3.37Å; H284-D288 PolarHBondContact O-N 3.29Å |
| 289 | F | 87.3 | Confident | 83 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -83.8 | 137.9 | -177.2 | -81.3 | -111.3 | 0 | 0 | 0 | 111.5 | V256 R258 E263 R265 Y267 Y285 T457 | V256-F289 HydrophobicContact CB-CE2 4.47Å; V256-F289 HydrophobicContact CB-CZ 4.06Å; V256-F289 HydrophobicContact CG1-CE2 4.21Å; V256-F289 HydrophobicContact CG1-CZ 3.76Å; R258-F289 HydrophobicContact CB-CE1 4.45Å; E263-F289 HydrophobicContact CB-CD1 4.39Å; E263-F289 HydrophobicContact CB-CE1 4.39Å; E263-F289 HydrophobicContact CG-CD1 3.84Å; E263-F289 HydrophobicContact CG-CE1 3.99Å; R265-F289 HydrophobicContact CB-CE2 3.63Å; R265-F289 HydrophobicContact CB-CZ 3.74Å; R265-F289 HydrophobicContact CG-CD2 4Å; R265-F289 HydrophobicContact CG-CE1 4.26Å; R265-F289 HydrophobicContact CG-CE2 3.55Å; R265-F289 HydrophobicContact CG-CZ 3.69Å; Y267-F289 HydrophobicContact CE2-CE2 4.08Å; Y267-F289 WeakPolarHBondContact OH-CE2 3.31Å; Y285-F289 HydrophobicContact CD2-CB 3.56Å; Y285-F289 AromaticContact CD2-CD1 3.77Å; Y285-F289 HydrophobicContact CD2-CD1 3.77Å; Y285-F289 AromaticContact CD2-CD2 3.58Å; Y285-F289 HydrophobicContact CD2-CD2 3.58Å; Y285-F289 HydrophobicContact CD2-CE1 4.32Å; Y285-F289 HydrophobicContact CD2-CE2 4.12Å; Y285-F289 AromaticContact CD2-CG 3.34Å; Y285-F289 HydrophobicContact CD2-CG 3.34Å; Y285-F289 HydrophobicContact CD2-CZ 4.47Å; Y285-F289 HydrophobicContact CE2-CB 3.5Å; Y285-F289 VanDerWaalsContact CE2-CB 3.5Å; Y285-F289 AromaticContact CE2-CD1 3.7Å; Y285-F289 HydrophobicContact CE2-CD1 3.7Å; Y285-F289 HydrophobicContact CE2-CD2 4.28Å; Y285-F289 HydrophobicContact CE2-CE1 4.47Å; Y285-F289 AromaticContact CE2-CG 3.57Å; Y285-F289 HydrophobicContact CE2-CG 3.57Å; Y285-F289 HydrophobicContact CG-CB 4.31Å; Y285-F289 HydrophobicContact CG-CD2 4.3Å; Y285-F289 HydrophobicContact CG-CG 4.33Å; Y285-F289 WeakPolarHBondContact O-CB 3.47Å; Y285-F289 PolarHBondContact O-N 3.23Å; Y285-F289 VanDerWaalsContact O-N 3.15Å; F289-T457 PolarHBondContact O-N 3.3Å |
| 290 | P | 84.8 | Confident | 81.9 | Confident | 19 Ų | 19 | 39.8 Ų | 39.8 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -65.9 | 150.3 | 170.6 | 28.6 | -33.8 | 0 | 0 | 0 | 110.3 | R258 E263 H292 P454 | R258-P290 PolarHBondContact NH1-O 3.46Å; R258-P290 PolarHBondContact NH2-O 3.29Å; E263-P290 HydrophobicContact CG-CG 4.1Å; P290-H292 PolarHBondContact O-N 3.16Å; P290-P454 HydrophobicContact CB-CB 3.79Å; P290-P454 HydrophobicContact CB-CG 3.74Å |
| 291 | I | 81.8 | Confident | 81 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 10% | 0.097 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 131.6 | 178.9 | -167.1 | 161.4 | 0 | 0 | 0 | 112.2 | N293 T457 Y460 H464 | I291-N293 PolarHBondContact O-N 3.4Å; I291-T457 HydrophobicContact CB-CG2 4.33Å; I291-T457 HydrophobicContact CG1-CG2 4.32Å; I291-Y460 HydrophobicContact CB-CD2 3.95Å; I291-Y460 HydrophobicContact CB-CE2 3.88Å; I291-Y460 HydrophobicContact CD1-CD1 4.2Å; I291-Y460 HydrophobicContact CD1-CD2 3.74Å; I291-Y460 HydrophobicContact CD1-CE2 4.38Å; I291-Y460 HydrophobicContact CD1-CG 3.63Å; I291-Y460 HydrophobicContact CG1-CD2 4.41Å; I291-Y460 HydrophobicContact CG2-CD2 4.26Å; I291-Y460 HydrophobicContact CG2-CE2 3.8Å; I291-H464 HydrophobicContact CD1-CB 4.5Å |
| 292 | H | 82.1 | Confident | 80 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 3% | 0.032 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 119.2 | 178.4 | 178.3 | 56.1 | 0 | 0 | 0 | 110.4 | T260 D261 P290 P294 F495 | T260-H292 PolarHBondContact OG1-CE1 3.36Å; T260-H292 PolarHBondContact OG1-ND1 3.38Å; D261-H292 IonicContact OD2-ND1 3.96Å; P290-H292 PolarHBondContact O-N 3.16Å; H292-P294 VanDerWaalsContact O-CD 3.31Å; H292-P294 WeakPolarHBondContact O-CD 3.31Å; H292-F495 HydrophobicContact CB-CD1 4.12Å; H292-F495 HydrophobicContact CB-CE1 3.84Å; H292-F495 HydrophobicContact CB-CZ 4.42Å; H292-F495 AromaticContact CD2-CD1 3.46Å; H292-F495 VanDerWaalsContact CD2-CD1 3.46Å; H292-F495 WeakPolarHBondContact CD2-CD1 3.28Å; H292-F495 AromaticContact CD2-CE1 3.99Å; H292-F495 AromaticContact CG-CD1 3.7Å; H292-F495 AromaticContact CG-CE1 3.96Å |
| 293 | N | 80.5 | Confident | 79.1 | Confident | 14 Ų | 14 | 50.8 Ų | 50.8 | 8% | 0.075 | 28% | 0.279 | C | S | . | . | trans | -108.9 | 93.1 | 178.6 | -171.3 | -12.3 | 0 | 0 | 0 | 111.5 | I291 A295 L296 K420 | I291-N293 PolarHBondContact O-N 3.4Å; N293-A295 PolarHBondContact O-N 2.73Å; N293-A295 VanDerWaalsContact O-N 3.14Å; N293-A295 VanDerWaalsContact OD1-CB 3.28Å; N293-A295 WeakPolarHBondContact OD1-CB 3.11Å; N293-A295 PolarHBondContact OD1-N 2.84Å; N293-A295 VanDerWaalsContact OD1-N 3.11Å; N293-L296 HydrophobicContact CB-CD1 4.11Å; N293-L296 HydrophobicContact CB-CG 4.22Å; N293-L296 PolarHBondContact O-N 2.85Å; N293-K420 PolarHBondContact ND2-O 3.37Å; N293-K420 VanDerWaalsContact ND2-O 3.11Å | ||
| 294 | P | 77.3 | Confident | 78.1 | Confident | 70 Ų | 70 | 46.4 Ų | 46.4 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.9 | -20.7 | -179 | 27 | -35.1 | 0 | 0 | 0 | 112.8 | H292 L296 L297 S298 | H292-P294 VanDerWaalsContact O-CD 3.31Å; H292-P294 WeakPolarHBondContact O-CD 3.31Å; P294-L296 VanDerWaalsContact C-N 3.27Å; P294-L296 PolarHBondContact O-N 2.83Å; P294-L297 PolarHBondContact O-N 2.76Å; P294-S298 PolarHBondContact O-N 3.15Å |
| 295 | A | 76.4 | Confident | 77.2 | Confident | 30 Ų | 30 | 45.7 Ų | 45.7 | 25% | 0.248 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.8 | -22.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N293 L297 S298 A299 K420 | N293-A295 PolarHBondContact O-N 2.73Å; N293-A295 VanDerWaalsContact O-N 3.14Å; N293-A295 VanDerWaalsContact OD1-CB 3.28Å; N293-A295 WeakPolarHBondContact OD1-CB 3.11Å; N293-A295 PolarHBondContact OD1-N 2.84Å; N293-A295 VanDerWaalsContact OD1-N 3.11Å; A295-L297 VanDerWaalsContact C-N 3.34Å; A295-S298 PolarHBondContact O-OG 2.83Å; A295-S298 VanDerWaalsContact O-OG 3.07Å; A295-A299 PolarHBondContact O-N 2.91Å; A295-K420 HydrophobicContact CB-CB 4.14Å; A295-K420 HydrophobicContact CB-CD 3.78Å; A295-K420 WeakPolarHBondContact O-CD 2.97Å; A295-K420 WeakPolarHBondContact O-CE 3.47Å; A295-K420 PolarHBondContact O-NZ 3.02Å |
| 296 | L | 73.6 | Confident | 76.3 | Confident | 82 Ų | 82 | 52.6 Ų | 52.6 | 43% | 0.429 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.2 | -36.9 | 172.7 | -68.8 | 177.2 | 0 | 0 | 0 | 111.3 | N293 P294 A299 S300 K420 | N293-L296 HydrophobicContact CB-CD1 4.11Å; N293-L296 HydrophobicContact CB-CG 4.22Å; N293-L296 PolarHBondContact O-N 2.85Å; P294-L296 VanDerWaalsContact C-N 3.27Å; P294-L296 PolarHBondContact O-N 2.83Å; L296-A299 WeakPolarHBondContact O-CB 3.42Å; L296-A299 PolarHBondContact O-N 3.4Å; L296-A299 VanDerWaalsContact O-N 3.15Å; L296-S300 PolarHBondContact O-N 3.46Å; L296-K420 HydrophobicContact CD2-CB 4.45Å; L296-K420 HydrophobicContact CD2-CD 4.43Å |
| 297 | L | 69.9 | Low | 75.3 | Confident | 46 Ų | 46 | 53.6 Ų | 53.6 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -73.4 | -35.8 | -179.6 | -58.2 | 170.7 | 0 | 0 | 0 | 112.8 | T260 D261 P294 A295 A299 S300 K301 | T260-L297 HydrophobicContact CG2-CD1 4.29Å; T260-L297 WeakPolarHBondContact O-CD2 3.29Å; D261-L297 HydrophobicContact CB-CD2 4.44Å; P294-L297 PolarHBondContact O-N 2.76Å; A295-L297 VanDerWaalsContact C-N 3.34Å; L297-A299 PolarHBondContact O-N 3.02Å; L297-S300 PolarHBondContact O-OG 2.76Å; L297-K301 WeakPolarHBondContact O-CG 3.41Å; L297-K301 PolarHBondContact O-N 2.98Å |
| 298 | S | 70.3 | Confident | 74.4 | Confident | 65 Ų | 65 | 56.7 Ų | 56.7 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.6 | -24.8 | 171.1 | 68.7 | 0 | 0 | 0 | 0 | 112.1 | P294 A295 S302 | P294-S298 PolarHBondContact O-N 3.15Å; A295-S298 PolarHBondContact O-OG 2.83Å; A295-S298 VanDerWaalsContact O-OG 3.07Å; S298-S302 WeakPolarHBondContact O-CB 3.44Å; S298-S302 PolarHBondContact O-N 2.92Å |
| 299 | A | 68.6 | Low | 73.3 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 8% | 0.083 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.3 | -49 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A295 L296 L297 S302 R303 | A295-A299 PolarHBondContact O-N 2.91Å; L296-A299 WeakPolarHBondContact O-CB 3.42Å; L296-A299 PolarHBondContact O-N 3.4Å; L296-A299 VanDerWaalsContact O-N 3.15Å; L297-A299 PolarHBondContact O-N 3.02Å; A299-S302 PolarHBondContact O-N 3.34Å; A299-R303 VanDerWaalsContact O-CG 3.32Å; A299-R303 WeakPolarHBondContact O-CG 3.49Å; A299-R303 PolarHBondContact O-N 2.88Å |
| 300 | S | 68.4 | Low | 72 | Confident | 62 Ų | 62 | 60.3 Ų | 60.3 | 43% | 0.434 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 179.6 | 57.7 | 0 | 0 | 0 | 0 | 111 | L296 L297 S302 R303 A304 | L296-S300 PolarHBondContact O-N 3.46Å; L297-S300 PolarHBondContact O-OG 2.76Å; S300-S302 PolarHBondContact O-N 2.94Å; S300-R303 PolarHBondContact O-N 3.01Å; S300-A304 PolarHBondContact O-N 2.66Å |
| 301 | K | 71.4 | Confident | 70.8 | Confident | 156 Ų | 156 | 65.7 Ų | 65.7 | 68% | 0.678 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.9 | -42.2 | 174.8 | -68.3 | -179 | -178.7 | -176.7 | 0 | 112.7 | L297 A304 A305 | L297-K301 WeakPolarHBondContact O-CG 3.41Å; L297-K301 PolarHBondContact O-N 2.98Å; K301-A304 PolarHBondContact O-N 2.85Å; K301-A305 WeakPolarHBondContact O-CB 3.05Å; K301-A305 PolarHBondContact O-N 2.86Å |
| 302 | S | 71.7 | Confident | 69.8 | Low | 57 Ų | 57 | 72.9 Ų | 72.9 | 40% | 0.399 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.3 | -37.6 | 177.5 | -179.7 | 0 | 0 | 0 | 0 | 112.6 | S298 A299 S300 A305 K306 | S298-S302 WeakPolarHBondContact O-CB 3.44Å; S298-S302 PolarHBondContact O-N 2.92Å; A299-S302 PolarHBondContact O-N 3.34Å; S300-S302 PolarHBondContact O-N 2.94Å; S302-A305 PolarHBondContact O-N 2.81Å; S302-K306 WeakPolarHBondContact O-CG 3.18Å; S302-K306 PolarHBondContact O-N 2.87Å |
| 303 | R | 71.5 | Confident | 68.5 | Low | 57 Ų | 57 | 76.8 Ų | 76.8 | 22% | 0.215 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 174.2 | -72.3 | 175.6 | -160.1 | 165.4 | 4.8 | 111.1 | A299 S300 A305 K306 H307 L350 E353 H357 | A299-R303 VanDerWaalsContact O-CG 3.32Å; A299-R303 WeakPolarHBondContact O-CG 3.49Å; A299-R303 PolarHBondContact O-N 2.88Å; S300-R303 PolarHBondContact O-N 3.01Å; R303-A305 VanDerWaalsContact C-N 3.34Å; R303-A305 PolarHBondContact O-N 2.84Å; R303-K306 PolarHBondContact O-N 3Å; R303-H307 PolarHBondContact O-N 3.07Å; R303-L350 HydrophobicContact CB-CD2 4.32Å; R303-E353 WeakPolarHBondContact CB-OE2 3.35Å; R303-E353 WeakPolarHBondContact CG-OE2 3.31Å; R303-H357 PolarHBondContact NH2-ND1 3.35Å |
| 304 | A | 69.3 | Low | 67.5 | Low | 37 Ų | 37 | 84.9 Ų | 84.9 | 31% | 0.306 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.9 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S300 K301 H307 L308 | S300-A304 PolarHBondContact O-N 2.66Å; K301-A304 PolarHBondContact O-N 2.85Å; A304-H307 PolarHBondContact O-N 2.83Å; A304-L308 PolarHBondContact O-N 2.83Å |
| 305 | A | 70.7 | Confident | 66.4 | Low | 54 Ų | 54 | 88.2 Ų | 88.2 | 45% | 0.446 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K301 S302 R303 H307 L308 A309 | K301-A305 WeakPolarHBondContact O-CB 3.05Å; K301-A305 PolarHBondContact O-N 2.86Å; S302-A305 PolarHBondContact O-N 2.81Å; R303-A305 VanDerWaalsContact C-N 3.34Å; R303-A305 PolarHBondContact O-N 2.84Å; A305-H307 VanDerWaalsContact C-N 3.32Å; A305-H307 PolarHBondContact O-N 3.25Å; A305-L308 PolarHBondContact O-N 3.06Å; A305-A309 WeakPolarHBondContact O-CB 3.46Å; A305-A309 PolarHBondContact O-N 3.4Å |
| 306 | K | 69.8 | Low | 65.4 | Low | 147 Ų | 147 | 92.8 Ų | 92.8 | 64% | 0.639 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.8 | -39.5 | 175.4 | -78.8 | 178.3 | -178.1 | -174.4 | 0 | 112.3 | S302 R303 L308 A309 G310 | S302-K306 WeakPolarHBondContact O-CG 3.18Å; S302-K306 PolarHBondContact O-N 2.87Å; R303-K306 PolarHBondContact O-N 3Å; K306-L308 VanDerWaalsContact C-N 3.28Å; K306-L308 PolarHBondContact O-N 3.47Å; K306-A309 PolarHBondContact O-N 3.42Å; K306-G310 PolarHBondContact O-N 2.98Å |
| 307 | H | 65.4 | Low | 64.4 | Low | 53 Ų | 53 | 94.9 Ų | 94.9 | 25% | 0.245 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -62.9 | -38 | 176.2 | -175.2 | -74.6 | 0 | 0 | 0 | 111.4 | R303 A304 A305 S346 E349 | R303-H307 PolarHBondContact O-N 3.07Å; A304-H307 PolarHBondContact O-N 2.83Å; A305-H307 VanDerWaalsContact C-N 3.32Å; A305-H307 PolarHBondContact O-N 3.25Å; H307-S346 WeakPolarHBondContact CE1-CB 3.39Å; H307-S346 PolarHBondContact CE1-OG 2.78Å; H307-S346 VanDerWaalsContact CG-OG 3.32Å; H307-S346 PolarHBondContact ND1-OG 3.39Å; H307-S346 WeakPolarHBondContact NE2-CA 3.47Å; H307-S346 WeakPolarHBondContact NE2-CB 3.44Å; H307-S346 PolarHBondContact NE2-OG 2.93Å; H307-E349 IonicContact CD2-OE2 3.04Å; H307-E349 PolarHBondContact CD2-OE2 3.37Å; H307-E349 IonicContact NE2-OE2 2.82Å; H307-E349 PolarHBondContact NE2-OE2 3.05Å |
| 308 | L | 64.4 | Low | 63.7 | Low | 137 Ų | 137 | 95.7 Ų | 95.7 | 72% | 0.717 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73 | -33.7 | 175.4 | -66 | 170.7 | 0 | 0 | 0 | 113.1 | A304 A305 K306 G310 | A304-L308 PolarHBondContact O-N 2.83Å; A305-L308 PolarHBondContact O-N 3.06Å; K306-L308 VanDerWaalsContact C-N 3.28Å; K306-L308 PolarHBondContact O-N 3.47Å; L308-G310 PolarHBondContact O-N 3.01Å |
| 309 | A | 63.5 | Low | 62.6 | Low | 78 Ų | 78 | 99.6 Ų | 99.6 | 65% | 0.645 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -81 | -6.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | A305 K306 L311 | A305-A309 WeakPolarHBondContact O-CB 3.46Å; A305-A309 PolarHBondContact O-N 3.4Å; K306-A309 PolarHBondContact O-N 3.42Å; A309-L311 PolarHBondContact O-N 3.04Å; A309-L311 VanDerWaalsContact O-N 3.13Å |
| 310 | G | 61.1 | Low | 61.6 | Low | 66 Ų | 66 | 102.4 Ų | 102.4 | 68% | 0.68 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -0.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | K306 L308 K312 | K306-G310 PolarHBondContact O-N 2.98Å; L308-G310 PolarHBondContact O-N 3.01Å; G310-K312 PolarHBondContact O-N 3.27Å |
| 311 | L | 59.6 | Low | 60.4 | Low | 133 Ų | 133 | 107 Ų | 107 | 70% | 0.696 | 62% | 0.619 | S | S | * | * | trans | -86.1 | 85.7 | 179.4 | -171.8 | 73.9 | 0 | 0 | 0 | 110.9 | A309 V313 | A309-L311 PolarHBondContact O-N 3.04Å; A309-L311 VanDerWaalsContact O-N 3.13Å; L311-V313 HydrophobicContact CD1-CG2 3.91Å; L311-V313 HydrophobicContact CD2-CG2 4.34Å; L311-V313 HydrophobicContact CG-CG2 3.89Å | ||
| 312 | K | 60.1 | Low | 59.4 | Low | 170 Ų | 170 | 107.7 Ų | 107.7 | 74% | 0.739 | 63% | 0.631 | S | S | * | * | trans | -96.5 | 102 | 159.2 | -81.3 | -177.2 | 177.6 | 179.8 | 0 | 108.7 | G310 Y314 | G310-K312 PolarHBondContact O-N 3.27Å; K312-Y314 HydrophobicContact CB-CE2 4.16Å | ||
| 313 | V | 55.9 | Low | 58.4 | Low | 89 Ų | 89 | 109 Ų | 109 | 54% | 0.539 | 65% | 0.645 | S | S | . | * | trans | -83.2 | 115.1 | 169.5 | -176.4 | 0 | 0 | 0 | 0 | 107.3 | L311 | L311-V313 HydrophobicContact CD1-CG2 3.91Å; L311-V313 HydrophobicContact CD2-CG2 4.34Å; L311-V313 HydrophobicContact CG-CG2 3.89Å | ||
| 314 | Y | 58.7 | Low | 57.4 | Low | 183 Ų | 183 | 109.9 Ų | 109.9 | 72% | 0.718 | 66% | 0.66 | S | S | * | * | trans | -87.2 | 117.2 | 166.1 | -67.4 | -90 | 0 | 0 | 0 | 106.9 | K312 V316 | K312-Y314 HydrophobicContact CB-CE2 4.16Å; Y314-V316 PolarHBondContact O-N 3.34Å; Y314-V316 VanDerWaalsContact O-N 3.12Å | ||
| 315 | N | 53.4 | Low | 56.5 | Low | 140 Ų | 140 | 112.3 Ų | 112.3 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | trans | -69.5 | 106.4 | 167.8 | -95.3 | -2.9 | 0 | 0 | 0 | 107.6 | D317 | N315-D317 VanDerWaalsContact C-N 3.3Å; N315-D317 PolarHBondContact O-N 3.06Å | ||
| 316 | V | 56.2 | Low | 55.5 | Low | 127 Ų | 127 | 112.4 Ų | 112.4 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | trans | -95.4 | 65.2 | 172.5 | -170.3 | 0 | 0 | 0 | 0 | 107.5 | Y314 | Y314-V316 PolarHBondContact O-N 3.34Å; Y314-V316 VanDerWaalsContact O-N 3.12Å | ||
| 317 | D | 53.5 | Low | 54.7 | Low | 126 Ų | 126 | 109.9 Ų | 109.9 | 67% | 0.674 | 68% | 0.679 | S | S | * | * | trans | -135.3 | 111.2 | 168.2 | -77.5 | -43.6 | 0 | 0 | 0 | 108 | N315 | N315-D317 VanDerWaalsContact C-N 3.3Å; N315-D317 PolarHBondContact O-N 3.06Å | ||
| 318 | G | 53.4 | Low | 54.1 | Low | 63 Ų | 63 | 110 Ų | 110 | 65% | 0.649 | 69% | 0.689 | S | S | * | * | trans | -66.9 | 161.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G320 | G318-G320 PolarHBondContact O-N 2.86Š| ||
| 319 | P | 48.9 | Very low | 53.6 | Low | 146 Ų | 146 | 109.6 Ų | 109.6 | 95% | 0.948 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -74.2 | 102.8 | -173 | 30.5 | -31.4 | 0 | 0 | 0 | 109.7 | ||
| 320 | G | 47.1 | Very low | 53.3 | Low | 69 Ų | 69 | 109.6 Ų | 109.6 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | trans | -179.3 | 111.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | G318 | G318-G320 PolarHBondContact O-N 2.86Š| ||
| 321 | N | 42.9 | Very low | 53.1 | Low | 158 Ų | 158 | 110.2 Ų | 110.2 | 85% | 0.845 | 66% | 0.664 | S | S | * | * | trans | 89.9 | 121.5 | 159.7 | -87.5 | 11.2 | 0 | 0 | 0 | 121.3 | A323 | N321-A323 PolarHBondContact O-N 3.34Š| ||
| 322 | N | 50.7 | Low | 53 | Low | 172 Ų | 172 | 106.6 Ų | 106.6 | 92% | 0.92 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -70.3 | 76.3 | 179.4 | -66.7 | -25.4 | 0 | 0 | 0 | 112.7 | ||
| 323 | A | 50 | Low | 53.2 | Low | 84 Ų | 84 | 107.3 Ų | 107.3 | 69% | 0.694 | 65% | 0.647 | S | S | * | * | trans | -139.3 | 27.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N321 | N321-A323 PolarHBondContact O-N 3.34Š| ||
| 324 | S | 50 | Low | 53.5 | Low | 76 Ų | 76 | 105.8 Ų | 105.8 | 53% | 0.531 | 64% | 0.644 | S | S | . | * | trans | -109.6 | 17.2 | -162 | 52.7 | 0 | 0 | 0 | 0 | 116.3 | A328 | S324-A328 PolarHBondContact O-N 3.25Š| ||
| 325 | A | 51.1 | Low | 53.6 | Low | 88 Ų | 88 | 101.9 Ų | 101.9 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.9 | -37.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 326 | G | 50.7 | Low | 54.1 | Low | 55 Ų | 55 | 100.6 Ų | 100.6 | 57% | 0.567 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -79.6 | -29.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S330 | G326-S330 PolarHBondContact O-N 3.42Å |
| 327 | I | 52.3 | Low | 54.6 | Low | 95 Ų | 95 | 96.9 Ų | 96.9 | 49% | 0.487 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73.5 | -37.2 | 179.3 | -63.6 | 174.9 | 0 | 0 | 0 | 110.6 | Q329 S330 Q331 | I327-Q329 VanDerWaalsContact C-N 3.32Å; I327-Q329 PolarHBondContact O-N 2.99Å; I327-S330 PolarHBondContact O-N 2.89Å; I327-Q331 HydrophobicContact CG2-CG 3.93Å; I327-Q331 VanDerWaalsContact O-CB 3.28Å; I327-Q331 WeakPolarHBondContact O-CB 3.11Å; I327-Q331 VanDerWaalsContact O-CG 3.23Å; I327-Q331 WeakPolarHBondContact O-CG 3.43Å; I327-Q331 PolarHBondContact O-N 3.35Å |
| 328 | A | 52.7 | Low | 55 | Low | 55 Ų | 55 | 93.4 Ų | 93.4 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.8 | -38.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S324 S332 | S324-A328 PolarHBondContact O-N 3.25Å; A328-S332 VanDerWaalsContact O-CB 3.25Å; A328-S332 WeakPolarHBondContact O-CB 3.43Å; A328-S332 PolarHBondContact O-N 3.49Å |
| 329 | Q | 54.6 | Low | 55.4 | Low | 129 Ų | 129 | 93.4 Ų | 93.4 | 60% | 0.603 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -76.8 | -33.9 | 178.7 | -158.8 | 167 | 3.4 | 0 | 0 | 112.5 | I327 R333 | I327-Q329 VanDerWaalsContact C-N 3.32Å; I327-Q329 PolarHBondContact O-N 2.99Å; Q329-R333 WeakPolarHBondContact O-CB 3.47Å; Q329-R333 PolarHBondContact O-N 3.37Å |
| 330 | S | 55.6 | Low | 56 | Low | 77 Ų | 77 | 88.9 Ų | 88.9 | 54% | 0.538 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.9 | -44.4 | 171.2 | 178.6 | 0 | 0 | 0 | 0 | 112.1 | G326 I327 S332 R333 A334 | G326-S330 PolarHBondContact O-N 3.42Å; I327-S330 PolarHBondContact O-N 2.89Å; S330-S332 VanDerWaalsContact C-N 3.34Å; S330-S332 PolarHBondContact O-N 3.45Å; S330-R333 PolarHBondContact O-N 3.08Å; S330-A334 VanDerWaalsContact O-CB 3.23Å; S330-A334 WeakPolarHBondContact O-CB 3.38Å; S330-A334 PolarHBondContact O-N 3.28Å |
| 331 | Q | 58.1 | Low | 56.8 | Low | 80 Ų | 80 | 95 Ų | 95 | 37% | 0.374 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63 | -39.3 | 173.9 | -74.2 | 177.4 | -6.3 | 0 | 0 | 111.4 | I327 A334 M335 | I327-Q331 HydrophobicContact CG2-CG 3.93Å; I327-Q331 VanDerWaalsContact O-CB 3.28Å; I327-Q331 WeakPolarHBondContact O-CB 3.11Å; I327-Q331 VanDerWaalsContact O-CG 3.23Å; I327-Q331 WeakPolarHBondContact O-CG 3.43Å; I327-Q331 PolarHBondContact O-N 3.35Å; Q331-A334 PolarHBondContact O-N 2.83Å; Q331-M335 HydrophobicContact CB-CE 4.32Å; Q331-M335 VanDerWaalsContact O-CB 3.27Å; Q331-M335 WeakPolarHBondContact O-CB 3.49Å; Q331-M335 VanDerWaalsContact O-CG 3.3Å; Q331-M335 WeakPolarHBondContact O-CG 3.13Å; Q331-M335 PolarHBondContact O-N 3.29Å |
| 332 | S | 58.3 | Low | 57.5 | Low | 57 Ų | 57 | 96 Ų | 96 | 40% | 0.399 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.7 | -43.9 | 174.6 | -173.4 | 0 | 0 | 0 | 0 | 112.4 | A328 S330 M335 I336 | A328-S332 VanDerWaalsContact O-CB 3.25Å; A328-S332 WeakPolarHBondContact O-CB 3.43Å; A328-S332 PolarHBondContact O-N 3.49Å; S330-S332 VanDerWaalsContact C-N 3.34Å; S330-S332 PolarHBondContact O-N 3.45Å; S332-M335 PolarHBondContact O-N 2.98Å; S332-I336 WeakPolarHBondContact O-CD1 3.23Å; S332-I336 WeakPolarHBondContact O-CG1 3.35Å; S332-I336 PolarHBondContact O-N 2.93Å |
| 333 | R | 63.1 | Low | 58 | Low | 185 Ų | 185 | 97.3 Ų | 97.3 | 70% | 0.698 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.3 | -39.7 | 173.9 | -82.1 | 179.4 | 162.4 | 168 | -4.2 | 113 | Q329 S330 I336 A337 | Q329-R333 WeakPolarHBondContact O-CB 3.47Å; Q329-R333 PolarHBondContact O-N 3.37Å; S330-R333 PolarHBondContact O-N 3.08Å; R333-I336 PolarHBondContact O-N 2.91Å; R333-A337 WeakPolarHBondContact O-CB 3.38Å; R333-A337 PolarHBondContact O-N 2.92Å |
| 334 | A | 62.4 | Low | 58.5 | Low | 57 Ų | 57 | 99.3 Ų | 99.3 | 47% | 0.471 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.3 | -37.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S330 Q331 A338 | S330-A334 VanDerWaalsContact O-CB 3.23Å; S330-A334 WeakPolarHBondContact O-CB 3.38Å; S330-A334 PolarHBondContact O-N 3.28Å; Q331-A334 PolarHBondContact O-N 2.83Å; A334-A338 WeakPolarHBondContact O-CB 2.99Å; A334-A338 PolarHBondContact O-N 2.92Å |
| 335 | M | 61.3 | Low | 59 | Low | 100 Ų | 100 | 99.3 Ų | 99.3 | 49% | 0.493 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 171.7 | -83.6 | -168.7 | -97.2 | 0 | 0 | 112.1 | Q331 S332 A338 A339 | Q331-M335 HydrophobicContact CB-CE 4.32Å; Q331-M335 VanDerWaalsContact O-CB 3.27Å; Q331-M335 WeakPolarHBondContact O-CB 3.49Å; Q331-M335 VanDerWaalsContact O-CG 3.3Å; Q331-M335 WeakPolarHBondContact O-CG 3.13Å; Q331-M335 PolarHBondContact O-N 3.29Å; S332-M335 PolarHBondContact O-N 2.98Å; M335-A338 PolarHBondContact O-N 3.41Å; M335-A339 WeakPolarHBondContact O-CB 3.27Å; M335-A339 PolarHBondContact O-N 3.08Å |
| 336 | I | 63.5 | Low | 59.5 | Low | 113 Ų | 113 | 96 Ų | 96 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.3 | -42.1 | 177 | -68 | 163.5 | 0 | 0 | 0 | 110.9 | S332 R333 A339 A340 | S332-I336 WeakPolarHBondContact O-CD1 3.23Å; S332-I336 WeakPolarHBondContact O-CG1 3.35Å; S332-I336 PolarHBondContact O-N 2.93Å; R333-I336 PolarHBondContact O-N 2.91Å; I336-A339 PolarHBondContact O-N 3.18Å; I336-A340 WeakPolarHBondContact O-CB 3.27Å; I336-A340 PolarHBondContact O-N 3.09Å |
| 337 | A | 65.6 | Low | 60.1 | Low | 49 Ų | 49 | 100.3 Ų | 100.3 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.6 | -37.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | R333 A340 R341 | R333-A337 WeakPolarHBondContact O-CB 3.38Å; R333-A337 PolarHBondContact O-N 2.92Å; A337-A340 PolarHBondContact O-N 3.42Å; A337-R341 WeakPolarHBondContact O-CG 3.48Å; A337-R341 PolarHBondContact O-N 3.31Å |
| 338 | A | 62.3 | Low | 61.2 | Low | 54 Ų | 54 | 99.6 Ų | 99.6 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70 | -38.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A334 M335 R342 | A334-A338 WeakPolarHBondContact O-CB 2.99Å; A334-A338 PolarHBondContact O-N 2.92Å; M335-A338 PolarHBondContact O-N 3.41Å; A338-R342 WeakPolarHBondContact O-CB 3.49Å; A338-R342 WeakPolarHBondContact O-CG 3.31Å; A338-R342 PolarHBondContact O-N 2.89Å |
| 339 | A | 61.7 | Low | 62.2 | Low | 63 Ų | 63 | 101.5 Ų | 101.5 | 52% | 0.521 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M335 I336 R342 R343 | M335-A339 WeakPolarHBondContact O-CB 3.27Å; M335-A339 PolarHBondContact O-N 3.08Å; I336-A339 PolarHBondContact O-N 3.18Å; A339-R342 PolarHBondContact O-N 3.25Å; A339-R343 WeakPolarHBondContact O-CB 3.21Å; A339-R343 PolarHBondContact O-N 3.45Å |
| 340 | A | 62.2 | Low | 63.2 | Low | 50 Ų | 50 | 98.1 Ų | 98.1 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -49.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I336 A337 R342 R343 D344 | I336-A340 WeakPolarHBondContact O-CB 3.27Å; I336-A340 PolarHBondContact O-N 3.09Å; A337-A340 PolarHBondContact O-N 3.42Å; A340-R342 VanDerWaalsContact C-N 3.31Å; A340-R342 PolarHBondContact O-N 3.26Å; A340-R343 WeakPolarHBondContact O-CB 3.37Å; A340-R343 PolarHBondContact O-N 3.26Å; A340-R343 VanDerWaalsContact O-N 3.11Å; A340-D344 PolarHBondContact O-N 3.35Å |
| 341 | R | 63 | Low | 64.4 | Low | 197 Ų | 197 | 101.5 Ų | 101.5 | 74% | 0.743 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.8 | -32.2 | 177.7 | -70.2 | 179.9 | 179.3 | 177.3 | 0.2 | 113.3 | A337 T345 | A337-R341 WeakPolarHBondContact O-CG 3.48Å; A337-R341 PolarHBondContact O-N 3.31Å; R341-T345 PolarHBondContact O-N 3.36Å; R341-T345 PolarHBondContact O-OG1 3.25Å |
| 342 | R | 58.1 | Low | 65.6 | Low | 179 Ų | 179 | 104.1 Ų | 104.1 | 68% | 0.675 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -76.1 | -25.7 | 173.3 | -78.1 | -165.4 | 178.6 | -142.5 | 2.5 | 113.4 | A338 A339 A340 D344 T345 S346 | A338-R342 WeakPolarHBondContact O-CB 3.49Å; A338-R342 WeakPolarHBondContact O-CG 3.31Å; A338-R342 PolarHBondContact O-N 2.89Å; A339-R342 PolarHBondContact O-N 3.25Å; A340-R342 VanDerWaalsContact C-N 3.31Å; A340-R342 PolarHBondContact O-N 3.26Å; R342-D344 VanDerWaalsContact C-N 3.33Å; R342-T345 PolarHBondContact O-N 3.18Å; R342-S346 WeakPolarHBondContact O-CB 3.3Å; R342-S346 PolarHBondContact O-N 3.28Å |
| 343 | R | 62 | Low | 66.7 | Low | 201 Ų | 201 | 105.1 Ų | 105.1 | 76% | 0.758 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.3 | -39.2 | 174.3 | -170.4 | 177.1 | 179.7 | 167.7 | -1.4 | 111.5 | A339 A340 S346 | A339-R343 WeakPolarHBondContact O-CB 3.21Å; A339-R343 PolarHBondContact O-N 3.45Å; A340-R343 WeakPolarHBondContact O-CB 3.37Å; A340-R343 PolarHBondContact O-N 3.26Å; A340-R343 VanDerWaalsContact O-N 3.11Å; R343-S346 WeakPolarHBondContact O-CB 3.34Å; R343-S346 PolarHBondContact O-N 3.24Å |
| 344 | D | 59.1 | Low | 67.7 | Low | 126 Ų | 126 | 101.6 Ų | 101.6 | 67% | 0.674 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72 | -35.3 | 175.3 | -60.6 | -32.7 | 0 | 0 | 0 | 111.9 | A340 R342 | A340-D344 PolarHBondContact O-N 3.35Å; R342-D344 VanDerWaalsContact C-N 3.33Å |
| 345 | T | 61 | Low | 68.9 | Low | 76 Ų | 76 | 100.6 Ų | 100.6 | 47% | 0.466 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71 | -35.3 | 174.5 | -50.8 | 0 | 0 | 0 | 0 | 112.1 | R341 R342 H347 N348 E349 | R341-T345 PolarHBondContact O-N 3.36Å; R341-T345 PolarHBondContact O-OG1 3.25Å; R342-T345 PolarHBondContact O-N 3.18Å; T345-H347 VanDerWaalsContact C-N 3.33Å; T345-H347 PolarHBondContact O-N 3.48Å; T345-N348 WeakPolarHBondContact O-CB 3.3Å; T345-N348 PolarHBondContact O-N 3.49Å; T345-N348 VanDerWaalsContact O-N 3.16Å; T345-E349 PolarHBondContact O-N 2.94Å; T345-E349 VanDerWaalsContact O-N 3.13Å |
| 346 | S | 63.1 | Low | 70.1 | Confident | 18 Ų | 18 | 101.5 Ų | 101.5 | 13% | 0.126 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -58.8 | -39.4 | 179.6 | -175.4 | 0 | 0 | 0 | 0 | 113.5 | H307 R342 R343 N348 E349 L350 | H307-S346 WeakPolarHBondContact CE1-CB 3.39Å; H307-S346 PolarHBondContact CE1-OG 2.78Å; H307-S346 VanDerWaalsContact CG-OG 3.32Å; H307-S346 PolarHBondContact ND1-OG 3.39Å; H307-S346 WeakPolarHBondContact NE2-CA 3.47Å; H307-S346 WeakPolarHBondContact NE2-CB 3.44Å; H307-S346 PolarHBondContact NE2-OG 2.93Å; R342-S346 WeakPolarHBondContact O-CB 3.3Å; R342-S346 PolarHBondContact O-N 3.28Å; R343-S346 WeakPolarHBondContact O-CB 3.34Å; R343-S346 PolarHBondContact O-N 3.24Å; S346-N348 VanDerWaalsContact C-N 3.26Å; S346-N348 PolarHBondContact O-N 2.98Å; S346-E349 PolarHBondContact O-N 2.87Å; S346-L350 PolarHBondContact O-N 3.42Å |
| 347 | H | 63.2 | Low | 71.2 | Confident | 146 Ų | 146 | 97.8 Ų | 97.8 | 68% | 0.676 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.4 | -36.8 | 179.3 | -171.6 | -86.2 | 0 | 0 | 0 | 111.2 | T345 Y351 | T345-H347 VanDerWaalsContact C-N 3.33Å; T345-H347 PolarHBondContact O-N 3.48Å; H347-Y351 PolarHBondContact O-N 3.46Å |
| 348 | N | 74.3 | Confident | 72.4 | Confident | 80 Ų | 80 | 100 Ų | 100 | 43% | 0.428 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.7 | -38.1 | 176.2 | -152.1 | 6.3 | 0 | 0 | 0 | 111.4 | T345 S346 Y351 Y352 | T345-N348 WeakPolarHBondContact O-CB 3.3Å; T345-N348 PolarHBondContact O-N 3.49Å; T345-N348 VanDerWaalsContact O-N 3.16Å; S346-N348 VanDerWaalsContact C-N 3.26Å; S346-N348 PolarHBondContact O-N 2.98Å; N348-Y351 PolarHBondContact O-N 3.25Å; N348-Y352 HydrophobicContact CB-CE2 4.44Å; N348-Y352 WeakPolarHBondContact O-CD2 3.31Å; N348-Y352 PolarHBondContact O-N 3.41Å; N348-Y352 VanDerWaalsContact O-N 3.08Å; N348-Y352 WeakPolarHBondContact OD1-CE2 3.34Å |
| 349 | E | 73.4 | Confident | 73.8 | Confident | 94 Ų | 94 | 106.1 Ų | 106.1 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 175.1 | -70.1 | -171.9 | -173.7 | 0 | 0 | 113 | H307 T345 S346 Y351 Y352 E353 | H307-E349 IonicContact CD2-OE2 3.04Å; H307-E349 PolarHBondContact CD2-OE2 3.37Å; H307-E349 IonicContact NE2-OE2 2.82Å; H307-E349 PolarHBondContact NE2-OE2 3.05Å; T345-E349 PolarHBondContact O-N 2.94Å; T345-E349 VanDerWaalsContact O-N 3.13Å; S346-E349 PolarHBondContact O-N 2.87Å; E349-Y351 VanDerWaalsContact C-N 3.33Å; E349-Y351 PolarHBondContact O-N 3.44Å; E349-Y352 PolarHBondContact O-N 2.85Å; E349-E353 WeakPolarHBondContact O-CG 3.04Å; E349-E353 PolarHBondContact O-N 2.81Å |
| 350 | L | 75.3 | Confident | 75.2 | Confident | 59 Ų | 59 | 109.4 Ų | 109.4 | 31% | 0.309 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 175.9 | -73.8 | 173 | 0 | 0 | 0 | 112.2 | R303 S346 E353 E354 | R303-L350 HydrophobicContact CB-CD2 4.32Å; S346-L350 PolarHBondContact O-N 3.42Å; L350-E353 PolarHBondContact O-N 3.16Å; L350-E354 WeakPolarHBondContact O-CB 3.33Å; L350-E354 PolarHBondContact O-N 2.99Å |
| 351 | Y | 80.7 | Confident | 76.6 | Confident | 147 Ų | 147 | 108.5 Ų | 108.5 | 58% | 0.576 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.7 | -46.4 | 174.6 | 173.4 | -99.3 | 0 | 0 | 0 | 111.6 | H347 N348 E349 E353 E354 A355 | H347-Y351 PolarHBondContact O-N 3.46Å; N348-Y351 PolarHBondContact O-N 3.25Å; E349-Y351 VanDerWaalsContact C-N 3.33Å; E349-Y351 PolarHBondContact O-N 3.44Å; Y351-E353 PolarHBondContact O-N 3.39Å; Y351-E354 PolarHBondContact O-N 3.33Å; Y351-A355 WeakPolarHBondContact O-CB 3.33Å; Y351-A355 PolarHBondContact O-N 2.94Å |
| 352 | Y | 83.9 | Confident | 78.1 | Confident | 135 Ų | 135 | 105.7 Ų | 105.7 | 53% | 0.529 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 177 | -70.2 | -60 | 0 | 0 | 0 | 112.6 | N348 E349 E354 A355 E356 | N348-Y352 HydrophobicContact CB-CE2 4.44Å; N348-Y352 WeakPolarHBondContact O-CD2 3.31Å; N348-Y352 PolarHBondContact O-N 3.41Å; N348-Y352 VanDerWaalsContact O-N 3.08Å; N348-Y352 WeakPolarHBondContact OD1-CE2 3.34Å; E349-Y352 PolarHBondContact O-N 2.85Å; Y352-E354 VanDerWaalsContact C-N 3.32Å; Y352-E354 PolarHBondContact O-N 3.12Å; Y352-A355 PolarHBondContact O-N 3.13Å; Y352-E356 WeakPolarHBondContact O-CB 3.35Å; Y352-E356 WeakPolarHBondContact O-CG 3.36Å; Y352-E356 PolarHBondContact O-N 3.48Å |
| 353 | E | 82.1 | Confident | 79.9 | Confident | 79 Ų | 79 | 102.8 Ų | 102.8 | 37% | 0.369 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 174.6 | -76.2 | -163.6 | 161.3 | 0 | 0 | 112.6 | R303 E349 L350 Y351 H357 | R303-E353 WeakPolarHBondContact CB-OE2 3.35Å; R303-E353 WeakPolarHBondContact CG-OE2 3.31Å; E349-E353 WeakPolarHBondContact O-CG 3.04Å; E349-E353 PolarHBondContact O-N 2.81Å; L350-E353 PolarHBondContact O-N 3.16Å; Y351-E353 PolarHBondContact O-N 3.39Å; E353-H357 VanDerWaalsContact O-CB 3.3Å; E353-H357 WeakPolarHBondContact O-CB 3.45Å; E353-H357 PolarHBondContact O-N 2.91Å |
| 354 | E | 83.7 | Confident | 81.4 | Confident | 110 Ų | 110 | 96.5 Ų | 96.5 | 51% | 0.514 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.6 | -48.6 | 174 | -175.9 | 160.6 | -139.7 | 0 | 0 | 111 | L350 Y351 Y352 E356 H357 E358 | L350-E354 WeakPolarHBondContact O-CB 3.33Å; L350-E354 PolarHBondContact O-N 2.99Å; Y351-E354 PolarHBondContact O-N 3.33Å; Y352-E354 VanDerWaalsContact C-N 3.32Å; Y352-E354 PolarHBondContact O-N 3.12Å; E354-E356 VanDerWaalsContact C-N 3.32Å; E354-E356 PolarHBondContact O-N 3.46Å; E354-H357 CarbonylContact O-C 3.6Å; E354-H357 WeakPolarHBondContact O-CA 3.43Å; E354-H357 WeakPolarHBondContact O-CB 3.43Å; E354-H357 PolarHBondContact O-N 2.8Å; E354-E358 PolarHBondContact O-N 3.48Å |
| 355 | A | 86.6 | Confident | 83.1 | Confident | 37 Ų | 37 | 96.9 Ų | 96.9 | 31% | 0.306 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y351 Y352 E358 R359 | Y351-A355 WeakPolarHBondContact O-CB 3.33Å; Y351-A355 PolarHBondContact O-N 2.94Å; Y352-A355 PolarHBondContact O-N 3.13Å; A355-E358 PolarHBondContact O-N 2.83Å; A355-R359 WeakPolarHBondContact O-CB 3.24Å; A355-R359 PolarHBondContact O-N 2.82Å |
| 356 | E | 87.8 | Confident | 84.7 | Confident | 119 Ų | 119 | 96 Ų | 96 | 56% | 0.556 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.3 | -37.6 | 173.2 | -78.7 | -167.1 | 170.1 | 0 | 0 | 112.5 | Y352 E354 R359 R360 | Y352-E356 WeakPolarHBondContact O-CB 3.35Å; Y352-E356 WeakPolarHBondContact O-CG 3.36Å; Y352-E356 PolarHBondContact O-N 3.48Å; E354-E356 VanDerWaalsContact C-N 3.32Å; E354-E356 PolarHBondContact O-N 3.46Å; E356-R359 PolarHBondContact O-N 2.87Å; E356-R360 WeakPolarHBondContact O-CG 3.37Å; E356-R360 PolarHBondContact O-N 3.17Å; E356-R360 PolarHBondContact O-NE 2.82Å |
| 357 | H | 87.3 | Confident | 86.3 | Confident | 34 Ų | 34 | 101 Ų | 101 | 16% | 0.157 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -63.2 | -49.1 | 174.2 | -177.2 | 67.7 | 0 | 0 | 0 | 111.1 | R303 E353 E354 R359 R360 V361 T418 | R303-H357 PolarHBondContact NH2-ND1 3.35Å; E353-H357 VanDerWaalsContact O-CB 3.3Å; E353-H357 WeakPolarHBondContact O-CB 3.45Å; E353-H357 PolarHBondContact O-N 2.91Å; E354-H357 CarbonylContact O-C 3.6Å; E354-H357 WeakPolarHBondContact O-CA 3.43Å; E354-H357 WeakPolarHBondContact O-CB 3.43Å; E354-H357 PolarHBondContact O-N 2.8Å; H357-R359 VanDerWaalsContact C-N 3.31Å; H357-R359 PolarHBondContact O-N 3.04Å; H357-R360 WeakPolarHBondContact O-CA 3.4Å; H357-R360 WeakPolarHBondContact O-CB 3.34Å; H357-R360 PolarHBondContact O-N 2.96Å; H357-R360 VanDerWaalsContact O-N 3.08Å; H357-V361 WeakPolarHBondContact O-CG2 3.48Å; H357-V361 PolarHBondContact O-N 3.36Å; H357-T418 PolarHBondContact CE1-O 2.91Å |
| 358 | E | 89 | Confident | 87.8 | Confident | 95 Ų | 95 | 94 Ų | 94 | 44% | 0.444 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 175.1 | -69.1 | -169.4 | 168.8 | 0 | 0 | 112.1 | E354 A355 R360 V361 R362 | E354-E358 PolarHBondContact O-N 3.48Å; A355-E358 PolarHBondContact O-N 2.83Å; E358-R360 VanDerWaalsContact C-N 3.27Å; E358-R360 PolarHBondContact O-N 2.63Å; E358-V361 PolarHBondContact O-N 2.91Å; E358-V361 VanDerWaalsContact O-N 3.16Å; E358-R362 VanDerWaalsContact CB-NH2 3.35Å; E358-R362 WeakPolarHBondContact O-CB 3.3Å; E358-R362 WeakPolarHBondContact O-CG 3.46Å; E358-R362 PolarHBondContact O-N 3.03Å; E358-R362 IonicContact OE2-CZ 3.36Å; E358-R362 IonicContact OE2-NH2 3.23Å; E358-R362 PolarHBondContact OE2-NH2 3.19Å |
| 359 | R | 91.5 | Very high | 88.8 | Confident | 184 Ų | 184 | 92 Ų | 92 | 69% | 0.694 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60 | -40.2 | 175.4 | -171.7 | -179.3 | -177.1 | -169 | 3.5 | 111.1 | A355 E356 H357 K363 | A355-R359 WeakPolarHBondContact O-CB 3.24Å; A355-R359 PolarHBondContact O-N 2.82Å; E356-R359 PolarHBondContact O-N 2.87Å; H357-R359 VanDerWaalsContact C-N 3.31Å; H357-R359 PolarHBondContact O-N 3.04Å; R359-K363 VanDerWaalsContact O-CB 3.29Å; R359-K363 WeakPolarHBondContact O-CB 3.35Å; R359-K363 PolarHBondContact O-N 2.81Å |
| 360 | R | 92.1 | Very high | 89.9 | Confident | 131 Ų | 131 | 90.9 Ų | 90.9 | 49% | 0.494 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 173.9 | -76.5 | -178.9 | -70.9 | -167.7 | -2.9 | 111.3 | E356 H357 E358 K363 R364 T418 | E356-R360 WeakPolarHBondContact O-CG 3.37Å; E356-R360 PolarHBondContact O-N 3.17Å; E356-R360 PolarHBondContact O-NE 2.82Å; H357-R360 WeakPolarHBondContact O-CA 3.4Å; H357-R360 WeakPolarHBondContact O-CB 3.34Å; H357-R360 PolarHBondContact O-N 2.96Å; H357-R360 VanDerWaalsContact O-N 3.08Å; E358-R360 VanDerWaalsContact C-N 3.27Å; E358-R360 PolarHBondContact O-N 2.63Å; R360-K363 PolarHBondContact O-N 3.43Å; R360-R364 VanDerWaalsContact O-CG 3.25Å; R360-R364 WeakPolarHBondContact O-CG 3.34Å; R360-R364 PolarHBondContact O-N 3Å; R360-T418 HydrophobicContact CB-CG2 4.46Å |
| 361 | V | 92.1 | Very high | 90.9 | Very high | 31 Ų | 31 | 88.7 Ų | 88.7 | 19% | 0.188 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.3 | -51 | 176.6 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | H357 E358 K363 R364 R365 Y415 T418 T419 | H357-V361 WeakPolarHBondContact O-CG2 3.48Å; H357-V361 PolarHBondContact O-N 3.36Å; E358-V361 PolarHBondContact O-N 2.91Å; E358-V361 VanDerWaalsContact O-N 3.16Å; V361-K363 VanDerWaalsContact C-N 3.34Å; V361-K363 PolarHBondContact O-N 3.27Å; V361-R364 PolarHBondContact O-N 3.21Å; V361-R364 VanDerWaalsContact O-N 3.09Å; V361-R365 WeakPolarHBondContact O-CB 3.44Å; V361-R365 PolarHBondContact O-N 3.4Å; V361-Y415 HydrophobicContact CG1-CE2 4.14Å; V361-T418 HydrophobicContact CG2-CG2 3.77Å; V361-T419 HydrophobicContact CG1-CG2 4.17Å; V361-T419 HydrophobicContact CG2-CG2 4.49Å |
| 362 | R | 93.9 | Very high | 91.6 | Very high | 138 Ų | 138 | 81.7 Ų | 81.7 | 52% | 0.521 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.2 | -44 | 176.8 | -74.8 | -175.7 | -110.8 | 116.3 | -2 | 112.4 | E358 R364 R365 A366 | E358-R362 VanDerWaalsContact CB-NH2 3.35Å; E358-R362 WeakPolarHBondContact O-CB 3.3Å; E358-R362 WeakPolarHBondContact O-CG 3.46Å; E358-R362 PolarHBondContact O-N 3.03Å; E358-R362 IonicContact OE2-CZ 3.36Å; E358-R362 IonicContact OE2-NH2 3.23Å; E358-R362 PolarHBondContact OE2-NH2 3.19Å; R362-R364 PolarHBondContact O-N 2.73Å; R362-R365 PolarHBondContact O-N 3.39Å; R362-A366 PolarHBondContact O-N 2.76Å |
| 363 | K | 95.6 | Very high | 92.1 | Very high | 118 Ų | 118 | 78.9 Ų | 78.9 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 176 | -177.8 | 174 | -178.7 | 172.3 | 0 | 112.6 | R359 R360 V361 R367 | R359-K363 VanDerWaalsContact O-CB 3.29Å; R359-K363 WeakPolarHBondContact O-CB 3.35Å; R359-K363 PolarHBondContact O-N 2.81Å; R360-K363 PolarHBondContact O-N 3.43Å; V361-K363 VanDerWaalsContact C-N 3.34Å; V361-K363 PolarHBondContact O-N 3.27Å; K363-R367 WeakPolarHBondContact O-CD 3.49Å; K363-R367 VanDerWaalsContact O-CG 3.28Å; K363-R367 WeakPolarHBondContact O-CG 3.47Å; K363-R367 PolarHBondContact O-N 2.71Å |
| 364 | R | 94 | Very high | 92.7 | Very high | 70 Ų | 70 | 81 Ų | 81 | 26% | 0.264 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71.9 | -40.4 | 176.5 | -67.4 | -63.4 | -176.1 | -155.3 | -5.9 | 111.5 | R360 V361 R362 R367 L368 Y415 | R360-R364 VanDerWaalsContact O-CG 3.25Å; R360-R364 WeakPolarHBondContact O-CG 3.34Å; R360-R364 PolarHBondContact O-N 3Å; V361-R364 PolarHBondContact O-N 3.21Å; V361-R364 VanDerWaalsContact O-N 3.09Å; R362-R364 PolarHBondContact O-N 2.73Å; R364-R367 PolarHBondContact O-N 3.29Å; R364-L368 WeakPolarHBondContact O-CB 3.11Å; R364-L368 PolarHBondContact O-N 2.99Å; R364-Y415 HydrophobicContact CB-CD2 4.05Å |
| 365 | R | 94.4 | Very high | 93.1 | Very high | 134 Ų | 134 | 75.9 Ų | 75.9 | 51% | 0.506 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.3 | -52.2 | 173.9 | -179.5 | 174.3 | -177.8 | -127.2 | 1.6 | 111.2 | V361 R362 R367 L368 V369 Y415 L452 | V361-R365 WeakPolarHBondContact O-CB 3.44Å; V361-R365 PolarHBondContact O-N 3.4Å; R362-R365 PolarHBondContact O-N 3.39Å; R365-R367 VanDerWaalsContact C-N 3.31Å; R365-R367 PolarHBondContact O-N 3.42Å; R365-L368 WeakPolarHBondContact O-CB 3.39Å; R365-L368 PolarHBondContact O-N 2.97Å; R365-L368 VanDerWaalsContact O-N 3.1Å; R365-V369 HydrophobicContact CG-CG2 4.49Å; R365-V369 WeakPolarHBondContact O-CG2 3.4Å; R365-V369 PolarHBondContact O-N 2.92Å; R365-Y415 HydrophobicContact CB-CD2 4.31Å; R365-Y415 HydrophobicContact CB-CE2 3.92Å; R365-L452 HydrophobicContact CG-CD1 4.41Å; R365-L452 HydrophobicContact CG-CD2 3.87Å |
| 366 | A | 95.2 | Very high | 93.3 | Very high | 56 Ų | 56 | 75.1 Ų | 75.1 | 46% | 0.463 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.9 | -43 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R362 L368 V369 V370 | R362-A366 PolarHBondContact O-N 2.76Å; A366-L368 VanDerWaalsContact C-N 3.33Å; A366-L368 PolarHBondContact O-N 3.36Å; A366-V369 PolarHBondContact O-N 3.46Å; A366-V370 WeakPolarHBondContact O-CG2 3.42Å; A366-V370 PolarHBondContact O-N 3.01Å; A366-V370 VanDerWaalsContact O-N 3.14Å |
| 367 | R | 95.4 | Very high | 93.5 | Very high | 124 Ų | 124 | 72.7 Ų | 72.7 | 47% | 0.468 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.6 | -35.4 | 176.7 | -70.6 | 170.9 | 179.9 | -148.4 | -5.1 | 113.2 | K363 R364 R365 A371 | K363-R367 WeakPolarHBondContact O-CD 3.49Å; K363-R367 VanDerWaalsContact O-CG 3.28Å; K363-R367 WeakPolarHBondContact O-CG 3.47Å; K363-R367 PolarHBondContact O-N 2.71Å; R364-R367 PolarHBondContact O-N 3.29Å; R365-R367 VanDerWaalsContact C-N 3.31Å; R365-R367 PolarHBondContact O-N 3.42Å; R367-A371 WeakPolarHBondContact O-CB 3.31Å; R367-A371 PolarHBondContact O-N 3.36Å; R367-A371 VanDerWaalsContact O-N 3.14Å |
| 368 | L | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.2 | -46.1 | 176.6 | 173.9 | 58.9 | 0 | 0 | 0 | 110.7 | R364 R365 A366 V370 A371 V372 A411 L412 Y415 L448 L452 | R364-L368 WeakPolarHBondContact O-CB 3.11Å; R364-L368 PolarHBondContact O-N 2.99Å; R365-L368 WeakPolarHBondContact O-CB 3.39Å; R365-L368 PolarHBondContact O-N 2.97Å; R365-L368 VanDerWaalsContact O-N 3.1Å; A366-L368 VanDerWaalsContact C-N 3.33Å; A366-L368 PolarHBondContact O-N 3.36Å; L368-V370 PolarHBondContact O-N 3.31Å; L368-A371 PolarHBondContact O-N 3.42Å; L368-V372 HydrophobicContact CD1-CG2 3.79Å; L368-V372 HydrophobicContact CG-CG2 4.49Å; L368-V372 WeakPolarHBondContact O-CG2 3.32Å; L368-V372 PolarHBondContact O-N 3.28Å; L368-A411 HydrophobicContact CD1-CB 4.23Å; L368-L412 HydrophobicContact CD1-CB 3.79Å; L368-L412 HydrophobicContact CD1-CD1 3.99Å; L368-L412 HydrophobicContact CD1-CG 4.5Å; L368-L412 HydrophobicContact CD2-CD1 3.81Å; L368-Y415 HydrophobicContact CD2-CD1 3.85Å; L368-Y415 HydrophobicContact CD2-CG 3.86Å; L368-L448 HydrophobicContact CD1-CD2 4.16Å; L368-L448 HydrophobicContact CD2-CD2 3.92Å; L368-L448 HydrophobicContact CG-CD2 3.67Å; L368-L452 HydrophobicContact CD2-CD2 4.17Å |
| 369 | V | 95.9 | Very high | 93.4 | Very high | 36 Ų | 36 | 72 Ų | 72 | 22% | 0.218 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.2 | -52.1 | 177.6 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | R365 A366 A371 V372 E373 L448 L452 | R365-V369 HydrophobicContact CG-CG2 4.49Å; R365-V369 WeakPolarHBondContact O-CG2 3.4Å; R365-V369 PolarHBondContact O-N 2.92Å; A366-V369 PolarHBondContact O-N 3.46Å; V369-A371 PolarHBondContact O-N 3.15Å; V369-V372 PolarHBondContact O-N 3.27Å; V369-E373 HydrophobicContact CG1-CG 4.42Å; V369-E373 WeakPolarHBondContact O-CB 3.19Å; V369-E373 WeakPolarHBondContact O-CG 3.44Å; V369-E373 PolarHBondContact O-N 3.36Å; V369-L448 HydrophobicContact CB-CD1 4.34Å; V369-L448 HydrophobicContact CG2-CD1 4.01Å; V369-L452 HydrophobicContact CG2-CD1 4.32Å |
| 370 | V | 96.1 | Very high | 93.1 | Very high | 71 Ų | 71 | 69.2 Ų | 69.2 | 43% | 0.43 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 179.4 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | A366 L368 V372 E373 E374 | A366-V370 WeakPolarHBondContact O-CG2 3.42Å; A366-V370 PolarHBondContact O-N 3.01Å; A366-V370 VanDerWaalsContact O-N 3.14Å; L368-V370 PolarHBondContact O-N 3.31Å; V370-V372 VanDerWaalsContact C-N 3.31Å; V370-V372 PolarHBondContact O-N 3.22Å; V370-E373 PolarHBondContact O-N 3.09Å; V370-E374 HydrophobicContact CG1-CG 4.4Å; V370-E374 WeakPolarHBondContact CG1-OE1 3.39Å; V370-E374 WeakPolarHBondContact O-CB 3.13Å; V370-E374 WeakPolarHBondContact O-CG 3.46Å; V370-E374 PolarHBondContact O-N 3.07Å |
| 371 | A | 95.4 | Very high | 92.8 | Very high | 14 Ų | 14 | 70.6 Ų | 70.6 | 12% | 0.116 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.7 | -35.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | R367 L368 V369 A375 A411 | R367-A371 WeakPolarHBondContact O-CB 3.31Å; R367-A371 PolarHBondContact O-N 3.36Å; R367-A371 VanDerWaalsContact O-N 3.14Å; L368-A371 PolarHBondContact O-N 3.42Å; V369-A371 PolarHBondContact O-N 3.15Å; A371-A375 VanDerWaalsContact O-CB 3.24Å; A371-A375 WeakPolarHBondContact O-CB 3.5Å; A371-A375 PolarHBondContact O-N 3.47Å; A371-A375 VanDerWaalsContact O-N 3.12Å; A371-A411 HydrophobicContact CB-CB 3.93Å |
| 372 | V | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -75 | -40.1 | 176.4 | 176.6 | 0 | 0 | 0 | 0 | 111 | L368 V369 V370 A375 F376 M408 P444 F447 L448 | L368-V372 HydrophobicContact CD1-CG2 3.79Å; L368-V372 HydrophobicContact CG-CG2 4.49Å; L368-V372 WeakPolarHBondContact O-CG2 3.32Å; L368-V372 PolarHBondContact O-N 3.28Å; V369-V372 PolarHBondContact O-N 3.27Å; V370-V372 VanDerWaalsContact C-N 3.31Å; V370-V372 PolarHBondContact O-N 3.22Å; V372-A375 PolarHBondContact O-N 3.4Å; V372-F376 HydrophobicContact CG1-CD2 3.68Å; V372-F376 HydrophobicContact CG1-CE2 3.69Å; V372-F376 VanDerWaalsContact O-CD2 3.31Å; V372-F376 WeakPolarHBondContact O-CD2 3.34Å; V372-F376 PolarHBondContact O-N 2.97Å; V372-M408 HydrophobicContact CG2-CB 4.11Å; V372-M408 HydrophobicContact CG2-CE 4.43Å; V372-M408 HydrophobicContact CG2-SD 3.93Å; V372-P444 HydrophobicContact CG1-CB 4.03Å; V372-F447 HydrophobicContact CG1-CD1 3.73Å; V372-F447 HydrophobicContact CG1-CE1 4.26Å; V372-F447 HydrophobicContact CG2-CD1 4.34Å; V372-F447 HydrophobicContact CG2-CE1 4.14Å; V372-L448 HydrophobicContact CB-CD1 4.2Å; V372-L448 HydrophobicContact CB-CD2 4.2Å; V372-L448 HydrophobicContact CB-CG 4.28Å; V372-L448 HydrophobicContact CG1-CD1 4.3Å; V372-L448 HydrophobicContact CG1-CD2 4.4Å; V372-L448 HydrophobicContact CG1-CG 4.1Å; V372-L448 HydrophobicContact CG2-CD2 3.76Å; V372-L448 HydrophobicContact CG2-CG 4.34Å |
| 373 | E | 95 | Very high | 91.3 | Very high | 76 Ų | 76 | 68.8 Ų | 68.8 | 36% | 0.355 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 174.5 | -74.7 | 175.1 | 169 | 0 | 0 | 111.3 | V369 V370 A375 F376 T377 P444 | V369-E373 HydrophobicContact CG1-CG 4.42Å; V369-E373 WeakPolarHBondContact O-CB 3.19Å; V369-E373 WeakPolarHBondContact O-CG 3.44Å; V369-E373 PolarHBondContact O-N 3.36Å; V370-E373 PolarHBondContact O-N 3.09Å; E373-A375 VanDerWaalsContact C-N 3.35Å; E373-A375 PolarHBondContact O-N 2.99Å; E373-F376 PolarHBondContact O-N 2.86Å; E373-T377 WeakPolarHBondContact O-CG2 3.15Å; E373-T377 PolarHBondContact O-N 3.36Å; E373-P444 HydrophobicContact CG-CB 4.11Å; E373-P444 HydrophobicContact CG-CG 4.43Å |
| 374 | E | 94.3 | Very high | 90.3 | Very high | 122 Ų | 122 | 68.5 Ų | 68.5 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -57.2 | -46.7 | 175 | -73.6 | 173.8 | 179.5 | 0 | 0 | 111.7 | V370 F376 T377 H378 | V370-E374 HydrophobicContact CG1-CG 4.4Å; V370-E374 WeakPolarHBondContact CG1-OE1 3.39Å; V370-E374 WeakPolarHBondContact O-CB 3.13Å; V370-E374 WeakPolarHBondContact O-CG 3.46Å; V370-E374 PolarHBondContact O-N 3.07Å; E374-F376 PolarHBondContact O-N 2.94Å; E374-T377 PolarHBondContact O-N 3.37Å; E374-T377 PolarHBondContact O-OG1 2.81Å; E374-H378 PolarHBondContact O-N 3.08Å |
| 375 | A | 92.2 | Very high | 89.3 | Confident | 3 Ų | 3 | 71 Ų | 71 | 3% | 0.025 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A371 V372 E373 H378 I379 I404 M408 | A371-A375 VanDerWaalsContact O-CB 3.24Å; A371-A375 WeakPolarHBondContact O-CB 3.5Å; A371-A375 PolarHBondContact O-N 3.47Å; A371-A375 VanDerWaalsContact O-N 3.12Å; V372-A375 PolarHBondContact O-N 3.4Å; E373-A375 VanDerWaalsContact C-N 3.35Å; E373-A375 PolarHBondContact O-N 2.99Å; A375-H378 WeakPolarHBondContact O-CB 3.5Å; A375-H378 PolarHBondContact O-N 3.16Å; A375-I379 PolarHBondContact O-N 3.15Å; A375-I379 VanDerWaalsContact O-N 3.14Å; A375-I404 HydrophobicContact CB-CG2 3.5Å; A375-I404 VanDerWaalsContact CB-CG2 3.5Å; A375-M408 HydrophobicContact CB-CE 3.32Å |
| 376 | F | 91.9 | Very high | 87.8 | Confident | 21 Ų | 21 | 67.7 Ų | 67.7 | 9% | 0.092 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.7 | -30.9 | 175.3 | -87.1 | -108.2 | 0 | 0 | 0 | 112.5 | V372 E373 E374 H378 I379 K380 M408 L434 C437 L442 P444 F447 | V372-F376 HydrophobicContact CG1-CD2 3.68Å; V372-F376 HydrophobicContact CG1-CE2 3.69Å; V372-F376 VanDerWaalsContact O-CD2 3.31Å; V372-F376 WeakPolarHBondContact O-CD2 3.34Å; V372-F376 PolarHBondContact O-N 2.97Å; E373-F376 PolarHBondContact O-N 2.86Å; E374-F376 PolarHBondContact O-N 2.94Å; F376-H378 VanDerWaalsContact C-N 3.25Å; F376-H378 PolarHBondContact O-N 2.84Å; F376-I379 HydrophobicContact CG-CD1 4.37Å; F376-I379 WeakPolarHBondContact O-CB 3.09Å; F376-I379 PolarHBondContact O-N 3.43Å; F376-K380 PolarHBondContact O-N 3.24Å; F376-M408 HydrophobicContact CD2-CE 4.49Å; F376-M408 HydrophobicContact CE2-CE 4.41Å; F376-L434 HydrophobicContact CE2-CD1 3.71Å; F376-L434 HydrophobicContact CZ-CD1 3.8Å; F376-C437 HydrophobicContact CE1-CB 4.44Å; F376-C437 HydrophobicContact CZ-CB 4.19Å; F376-L442 WeakPolarHBondContact CE1-O 3.29Å; F376-P444 HydrophobicContact CB-CB 4.36Å; F376-P444 HydrophobicContact CB-CG 3.61Å; F376-P444 HydrophobicContact CD1-CG 4.09Å; F376-P444 HydrophobicContact CD2-CB 4.27Å; F376-P444 HydrophobicContact CD2-CG 4.35Å; F376-P444 HydrophobicContact CG-CB 4.19Å; F376-P444 HydrophobicContact CG-CG 3.78Å; F376-F447 HydrophobicContact CE2-CB 4.19Å; F376-F447 HydrophobicContact CE2-CD1 4.3Å; F376-F447 HydrophobicContact CE2-CG 4.25Å; F376-F447 HydrophobicContact CZ-CB 3.86Å; F376-F447 HydrophobicContact CZ-CG 4.23Å |
| 377 | T | 91.2 | Very high | 86.2 | Confident | 69 Ų | 69 | 70.1 Ų | 70.1 | 42% | 0.423 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.9 | -32.9 | 170.2 | 69.2 | 0 | 0 | 0 | 0 | 111.8 | E373 E374 K380 R381 | E373-T377 WeakPolarHBondContact O-CG2 3.15Å; E373-T377 PolarHBondContact O-N 3.36Å; E374-T377 PolarHBondContact O-N 3.37Å; E374-T377 PolarHBondContact O-OG1 2.81Å; T377-K380 PolarHBondContact O-N 3.33Å; T377-R381 VanDerWaalsContact O-CG 3.3Å; T377-R381 WeakPolarHBondContact O-CG 3.48Å; T377-R381 PolarHBondContact O-N 3.34Å |
| 378 | H | 88.9 | Confident | 84.5 | Confident | 102 Ų | 102 | 72.9 Ų | 72.9 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 173.2 | -169.9 | -89 | 0 | 0 | 0 | 111.6 | E374 A375 F376 K380 R381 M382 | E374-H378 PolarHBondContact O-N 3.08Å; A375-H378 WeakPolarHBondContact O-CB 3.5Å; A375-H378 PolarHBondContact O-N 3.16Å; F376-H378 VanDerWaalsContact C-N 3.25Å; F376-H378 PolarHBondContact O-N 2.84Å; H378-K380 PolarHBondContact O-N 3.45Å; H378-R381 PolarHBondContact O-N 3.39Å; H378-M382 PolarHBondContact CE1-SD 3.38Å; H378-M382 PolarHBondContact ND1-SD 3.33Å; H378-M382 VanDerWaalsContact ND1-SD 3.44Å; H378-M382 WeakPolarHBondContact O-CG 3.31Å; H378-M382 PolarHBondContact O-N 2.88Å |
| 379 | I | 85.9 | Confident | 82.8 | Confident | 12 Ų | 12 | 79 Ų | 79 | 6% | 0.062 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.2 | -49.6 | 173.4 | -68 | 160.4 | 0 | 0 | 0 | 110.8 | A375 F376 R381 M382 Q383 I404 I438 | A375-I379 PolarHBondContact O-N 3.15Å; A375-I379 VanDerWaalsContact O-N 3.14Å; F376-I379 HydrophobicContact CG-CD1 4.37Å; F376-I379 WeakPolarHBondContact O-CB 3.09Å; F376-I379 PolarHBondContact O-N 3.43Å; I379-R381 VanDerWaalsContact C-N 3.31Å; I379-R381 PolarHBondContact O-N 3.32Å; I379-M382 PolarHBondContact O-N 2.89Å; I379-M382 VanDerWaalsContact O-N 3.16Å; I379-Q383 HydrophobicContact CG2-CG 4.35Å; I379-Q383 WeakPolarHBondContact O-CG 3.36Å; I379-Q383 PolarHBondContact O-N 3.11Å; I379-I404 HydrophobicContact CB-CD1 4.38Å; I379-I404 HydrophobicContact CD1-CD1 3.89Å; I379-I404 HydrophobicContact CD1-CG2 4.22Å; I379-I404 HydrophobicContact CG1-CD1 3.14Å; I379-I404 HydrophobicContact CG1-CG1 4.07Å; I379-I404 HydrophobicContact CG1-CG2 4.45Å; I379-I438 HydrophobicContact CD1-CD1 3.64Å; I379-I438 HydrophobicContact CD1-CG1 3.85Å; I379-I438 HydrophobicContact CG1-CD1 4.41Å; I379-I438 HydrophobicContact CG2-CG2 4.46Å |
| 380 | K | 84.8 | Confident | 80.9 | Confident | 126 Ų | 126 | 80.9 Ų | 80.9 | 55% | 0.548 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | -178.2 | -166.5 | -176.5 | -179.2 | -167.2 | 0 | 111.8 | F376 T377 H378 Q383 E384 | F376-K380 PolarHBondContact O-N 3.24Å; T377-K380 PolarHBondContact O-N 3.33Å; H378-K380 PolarHBondContact O-N 3.45Å; K380-Q383 PolarHBondContact O-N 3.16Å; K380-E384 VanDerWaalsContact CE-OE1 3.23Å; K380-E384 WeakPolarHBondContact CE-OE1 3.37Å; K380-E384 IonicContact NZ-OE1 3.9Å; K380-E384 WeakPolarHBondContact O-CB 3.34Å; K380-E384 VanDerWaalsContact O-CG 3.3Å; K380-E384 WeakPolarHBondContact O-CG 3.44Å; K380-E384 PolarHBondContact O-N 3.23Å |
| 381 | R | 84.7 | Confident | 78.9 | Confident | 159 Ų | 159 | 83.9 Ų | 83.9 | 60% | 0.6 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.5 | -43.1 | 174.6 | -73.3 | 173.4 | -178.3 | 169.7 | 2.5 | 112.1 | T377 H378 I379 E384 E385 | T377-R381 VanDerWaalsContact O-CG 3.3Å; T377-R381 WeakPolarHBondContact O-CG 3.48Å; T377-R381 PolarHBondContact O-N 3.34Å; H378-R381 PolarHBondContact O-N 3.39Å; I379-R381 VanDerWaalsContact C-N 3.31Å; I379-R381 PolarHBondContact O-N 3.32Å; R381-E384 PolarHBondContact O-N 3.25Å; R381-E385 WeakPolarHBondContact O-CG 3.48Å; R381-E385 PolarHBondContact O-N 3.07Å |
| 382 | M | 78.4 | Confident | 77.1 | Confident | 52 Ų | 52 | 87 Ų | 87 | 26% | 0.256 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 175.2 | -72.9 | -179.7 | 63.6 | 0 | 0 | 111.5 | H378 I379 E384 E385 E386 M395 I404 | H378-M382 PolarHBondContact CE1-SD 3.38Å; H378-M382 PolarHBondContact ND1-SD 3.33Å; H378-M382 VanDerWaalsContact ND1-SD 3.44Å; H378-M382 WeakPolarHBondContact O-CG 3.31Å; H378-M382 PolarHBondContact O-N 2.88Å; I379-M382 PolarHBondContact O-N 2.89Å; I379-M382 VanDerWaalsContact O-N 3.16Å; M382-E384 VanDerWaalsContact C-N 3.34Å; M382-E384 PolarHBondContact O-N 3.09Å; M382-E385 CarbonylContact O-C 3.56Å; M382-E385 PolarHBondContact O-N 3.37Å; M382-E385 VanDerWaalsContact O-N 3.09Å; M382-E386 WeakPolarHBondContact O-CG 3.48Å; M382-E386 PolarHBondContact O-N 2.73Å; M382-M395 HydrophobicContact CE-CE 3.64Å; M382-M395 HydrophobicContact CE-SD 3.89Å; M382-I404 HydrophobicContact SD-CD1 4.44Å |
| 383 | Q | 75.9 | Confident | 75.4 | Confident | 79 Ų | 79 | 91.5 Ų | 91.5 | 37% | 0.369 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.4 | -35.5 | 175.9 | -72.6 | 177.5 | -20.1 | 0 | 0 | 112.9 | I379 K380 E385 P387 | I379-Q383 HydrophobicContact CG2-CG 4.35Å; I379-Q383 WeakPolarHBondContact O-CG 3.36Å; I379-Q383 PolarHBondContact O-N 3.11Å; K380-Q383 PolarHBondContact O-N 3.16Å; Q383-E385 VanDerWaalsContact C-N 3.29Å; Q383-P387 VanDerWaalsContact O-CD 3.22Å; Q383-P387 WeakPolarHBondContact O-CD 3.3Å |
| 384 | E | 76.3 | Confident | 73.9 | Confident | 113 Ų | 113 | 93 Ų | 93 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.2 | -23.4 | 173.8 | -73.3 | 170.3 | -169.8 | 0 | 0 | 112.5 | K380 R381 M382 P387 | K380-E384 VanDerWaalsContact CE-OE1 3.23Å; K380-E384 WeakPolarHBondContact CE-OE1 3.37Å; K380-E384 IonicContact NZ-OE1 3.9Å; K380-E384 WeakPolarHBondContact O-CB 3.34Å; K380-E384 VanDerWaalsContact O-CG 3.3Å; K380-E384 WeakPolarHBondContact O-CG 3.44Å; K380-E384 PolarHBondContact O-N 3.23Å; R381-E384 PolarHBondContact O-N 3.25Å; M382-E384 VanDerWaalsContact C-N 3.34Å; M382-E384 PolarHBondContact O-N 3.09Å; E384-P387 WeakPolarHBondContact O-CD 3.49Å; E384-P387 WeakPolarHBondContact O-CG 3.3Å |
| 385 | E | 72.2 | Confident | 72.6 | Confident | 123 Ų | 123 | 89.9 Ų | 89.9 | 58% | 0.575 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -88.8 | -24.1 | 175.7 | -72.3 | 176.6 | -176.6 | 0 | 0 | 113.6 | R381 M382 Q383 P387 K388 | R381-E385 WeakPolarHBondContact O-CG 3.48Å; R381-E385 PolarHBondContact O-N 3.07Å; M382-E385 CarbonylContact O-C 3.56Å; M382-E385 PolarHBondContact O-N 3.37Å; M382-E385 VanDerWaalsContact O-N 3.09Å; Q383-E385 VanDerWaalsContact C-N 3.29Å; E385-P387 VanDerWaalsContact C-CD 3.47Å; E385-K388 WeakPolarHBondContact O-CB 3.44Å; E385-K388 PolarHBondContact O-N 3.11Å; E385-K388 VanDerWaalsContact O-N 3.15Å |
| 386 | E | 63.7 | Low | 72 | Confident | 63 Ų | 63 | 94 Ų | 94 | 29% | 0.294 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -54.5 | -39.6 | 175.5 | -74.2 | -154.2 | 151.8 | 0 | 0 | 115.9 | M382 K388 K389 M395 | M382-E386 WeakPolarHBondContact O-CG 3.48Å; M382-E386 PolarHBondContact O-N 2.73Å; E386-K388 PolarHBondContact O-N 3.14Å; E386-K389 PolarHBondContact O-N 3.22Å; E386-M395 PolarHBondContact OE1-N 3.43Å |
| 387 | P | 60.4 | Low | 71.6 | Confident | 107 Ų | 107 | 94.9 Ų | 94.9 | 70% | 0.695 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -66.3 | -5 | 178 | 25.4 | -35.1 | 0 | 0 | 0 | 114.3 | Q383 E384 E385 | Q383-P387 VanDerWaalsContact O-CD 3.22Å; Q383-P387 WeakPolarHBondContact O-CD 3.3Å; E384-P387 WeakPolarHBondContact O-CD 3.49Å; E384-P387 WeakPolarHBondContact O-CG 3.3Å; E385-P387 VanDerWaalsContact C-CD 3.47Å |
| 388 | K | 60.2 | Low | 71.3 | Confident | 183 Ų | 183 | 99.8 Ų | 99.8 | 80% | 0.796 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -96.3 | -4.7 | 174.9 | -61.2 | 175.7 | -177.3 | 169.2 | 0 | 113.2 | E385 E386 | E385-K388 WeakPolarHBondContact O-CB 3.44Å; E385-K388 PolarHBondContact O-N 3.11Å; E385-K388 VanDerWaalsContact O-N 3.15Å; E386-K388 PolarHBondContact O-N 3.14Å |
| 389 | K | 59.7 | Low | 71.2 | Confident | 128 Ų | 128 | 100.1 Ų | 100.1 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -103.7 | 154 | -179.1 | -78.8 | 178.8 | 162.3 | -158.9 | 0 | 112.2 | E386 D393 | E386-K389 PolarHBondContact O-N 3.22Å; K389-D393 WeakPolarHBondContact CD-OD2 3.18Å; K389-D393 IonicContact NZ-OD2 2.78Å; K389-D393 PolarHBondContact NZ-OD2 3.38Å |
| 390 | A | 55.9 | Low | 71.2 | Confident | 75 Ų | 75 | 100 Ų | 100 | 62% | 0.62 | 52% | 0.521 | S | S | * | . | trans | -62.4 | 148.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G392 D393 | A390-G392 PolarHBondContact O-N 2.8Å; A390-D393 PolarHBondContact O-N 3.48Å | ||
| 391 | P | 54.6 | Low | 71.3 | Confident | 134 Ų | 134 | 94.1 Ų | 94.1 | 87% | 0.87 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 14.1 | -168.1 | 25.1 | -34.7 | 0 | 0 | 0 | 116.9 | ||
| 392 | G | 57.8 | Low | 71.5 | Confident | 80 Ų | 80 | 92 Ų | 92 | 83% | 0.825 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -0.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115.1 | A390 | A390-G392 PolarHBondContact O-N 2.8Š|
| 393 | D | 58.8 | Low | 71.9 | Confident | 94 Ų | 94 | 92.5 Ų | 92.5 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | trans | -116.7 | 40.6 | -175.4 | -160.1 | 37.5 | 0 | 0 | 0 | 111.4 | K389 A390 | K389-D393 WeakPolarHBondContact CD-OD2 3.18Å; K389-D393 IonicContact NZ-OD2 2.78Å; K389-D393 PolarHBondContact NZ-OD2 3.38Å; A390-D393 PolarHBondContact O-N 3.48Å | ||
| 394 | V | 63.8 | Low | 72.5 | Confident | 108 Ų | 108 | 89 Ų | 89 | 66% | 0.655 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -85.6 | 116.3 | 174.9 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | ||
| 395 | M | 66.9 | Low | 73.3 | Confident | 56 Ų | 56 | 84.1 Ų | 84.1 | 28% | 0.276 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 130.3 | -176.8 | -170.8 | 174 | -68.5 | 0 | 0 | 110.7 | M382 E386 E399 A400 | M382-M395 HydrophobicContact CE-CE 3.64Å; M382-M395 HydrophobicContact CE-SD 3.89Å; E386-M395 PolarHBondContact OE1-N 3.43Å; M395-E399 HydrophobicContact CG-CB 3.82Å; M395-E399 HydrophobicContact CG-CG 3.88Å; M395-E399 HydrophobicContact SD-CG 4.28Å; M395-A400 HydrophobicContact CG-CB 4.17Å; M395-A400 VanDerWaalsContact SD-CA 3.53Å; M395-A400 HydrophobicContact SD-CB 3.79Å |
| 396 | D | 80.9 | Confident | 74.2 | Confident | 90 Ų | 90 | 82.5 Ų | 82.5 | 48% | 0.481 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 133.8 | 173.1 | -178.8 | 17 | 0 | 0 | 0 | 108.9 | R398 E399 A400 | D396-R398 PolarHBondContact O-N 3.36Å; D396-E399 HydrophobicContact CB-CB 4.32Å; D396-E399 WeakPolarHBondContact O-CA 3.28Å; D396-E399 WeakPolarHBondContact O-CB 3.31Å; D396-E399 PolarHBondContact O-N 3.35Å; D396-A400 PolarHBondContact O-N 2.98Å |
| 397 | P | 81.9 | Confident | 75.5 | Confident | 40 Ų | 40 | 83.2 Ų | 83.2 | 26% | 0.26 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -49.1 | -27.6 | 176 | -34 | 35.4 | 0 | 0 | 0 | 115.3 | A401 I438 T439 | P397-A401 WeakPolarHBondContact O-CB 3.29Å; P397-A401 PolarHBondContact O-N 2.92Å; P397-I438 HydrophobicContact CB-CB 4.49Å; P397-I438 HydrophobicContact CB-CG2 4.1Å; P397-T439 VanDerWaalsContact CB-OG1 3.3Å; P397-T439 WeakPolarHBondContact CB-OG1 3.48Å |
| 398 | R | 85.3 | Confident | 77 | Confident | 172 Ų | 172 | 78.1 Ų | 78.1 | 65% | 0.649 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -70.4 | -40.5 | 172.5 | -67.9 | -178.9 | 172.4 | -169.1 | 0.2 | 112.9 | D396 A401 Q402 A435 | D396-R398 PolarHBondContact O-N 3.36Å; R398-A401 PolarHBondContact O-N 2.8Å; R398-Q402 WeakPolarHBondContact O-CG 3.43Å; R398-Q402 PolarHBondContact O-N 3.07Å; R398-A435 HydrophobicContact CG-CB 4Å |
| 399 | E | 86.7 | Confident | 78.4 | Confident | 108 Ų | 108 | 70 Ų | 70 | 51% | 0.505 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.1 | -43 | 175.8 | -174.2 | 178 | -171.7 | 0 | 0 | 110.7 | M395 D396 A401 Q402 A403 | M395-E399 HydrophobicContact CG-CB 3.82Å; M395-E399 HydrophobicContact CG-CG 3.88Å; M395-E399 HydrophobicContact SD-CG 4.28Å; D396-E399 HydrophobicContact CB-CB 4.32Å; D396-E399 WeakPolarHBondContact O-CA 3.28Å; D396-E399 WeakPolarHBondContact O-CB 3.31Å; D396-E399 PolarHBondContact O-N 3.35Å; E399-A401 VanDerWaalsContact C-N 3.34Å; E399-A401 PolarHBondContact O-N 3.09Å; E399-Q402 PolarHBondContact O-N 2.96Å; E399-Q402 VanDerWaalsContact O-N 3.15Å; E399-A403 WeakPolarHBondContact O-CB 3.43Å; E399-A403 PolarHBondContact O-N 2.87Å |
| 400 | A | 85.6 | Confident | 79.9 | Confident | 11 Ų | 11 | 72.2 Ų | 72.2 | 9% | 0.091 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M395 D396 Q402 A403 I404 I438 | M395-A400 HydrophobicContact CG-CB 4.17Å; M395-A400 VanDerWaalsContact SD-CA 3.53Å; M395-A400 HydrophobicContact SD-CB 3.79Å; D396-A400 PolarHBondContact O-N 2.98Å; A400-Q402 VanDerWaalsContact C-N 3.34Å; A400-Q402 PolarHBondContact O-N 3.37Å; A400-A403 PolarHBondContact O-N 3.47Å; A400-I404 WeakPolarHBondContact O-CD1 3.47Å; A400-I404 PolarHBondContact O-N 3.45Å; A400-I404 VanDerWaalsContact O-N 3.14Å; A400-I438 HydrophobicContact CB-CD1 4.24Å |
| 401 | A | 88 | Confident | 81.6 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.008 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P397 R398 E399 F405 L434 A435 I438 | P397-A401 WeakPolarHBondContact O-CB 3.29Å; P397-A401 PolarHBondContact O-N 2.92Å; R398-A401 PolarHBondContact O-N 2.8Å; E399-A401 VanDerWaalsContact C-N 3.34Å; E399-A401 PolarHBondContact O-N 3.09Å; A401-F405 VanDerWaalsContact O-CB 3.22Å; A401-F405 WeakPolarHBondContact O-CB 3.25Å; A401-F405 PolarHBondContact O-N 3.02Å; A401-L434 HydrophobicContact CB-CB 4.14Å; A401-L434 HydrophobicContact CB-CD2 3.94Å; A401-L434 HydrophobicContact CB-CG 3.83Å; A401-L434 WeakPolarHBondContact O-CD2 3.3Å; A401-A435 HydrophobicContact CB-CB 3.92Å; A401-I438 HydrophobicContact CB-CD1 3.97Å |
| 402 | Q | 88.8 | Confident | 83.4 | Confident | 114 Ų | 114 | 63.3 Ų | 63.3 | 53% | 0.533 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67 | -39.4 | 178.3 | -73.1 | 176.1 | 10.2 | 0 | 0 | 112.6 | R398 E399 A400 P406 | R398-Q402 WeakPolarHBondContact O-CG 3.43Å; R398-Q402 PolarHBondContact O-N 3.07Å; E399-Q402 PolarHBondContact O-N 2.96Å; E399-Q402 VanDerWaalsContact O-N 3.15Å; A400-Q402 VanDerWaalsContact C-N 3.34Å; A400-Q402 PolarHBondContact O-N 3.37Å; Q402-P406 WeakPolarHBondContact O-CD 3.44Å |
| 403 | A | 87.4 | Confident | 85 | Confident | 64 Ų | 64 | 63.6 Ų | 63.6 | 53% | 0.529 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.8 | -38 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E399 A400 P406 | E399-A403 WeakPolarHBondContact O-CB 3.43Å; E399-A403 PolarHBondContact O-N 2.87Å; A400-A403 PolarHBondContact O-N 3.47Å; A403-P406 WeakPolarHBondContact O-CD 3.47Å |
| 404 | I | 88.7 | Confident | 86.6 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -91.8 | -26.3 | -174.4 | -72 | 132 | 0 | 0 | 0 | 112.9 | A375 I379 M382 A400 P406 S407 M408 | A375-I404 HydrophobicContact CB-CG2 3.5Å; A375-I404 VanDerWaalsContact CB-CG2 3.5Å; I379-I404 HydrophobicContact CB-CD1 4.38Å; I379-I404 HydrophobicContact CD1-CD1 3.89Å; I379-I404 HydrophobicContact CD1-CG2 4.22Å; I379-I404 HydrophobicContact CG1-CD1 3.14Å; I379-I404 HydrophobicContact CG1-CG1 4.07Å; I379-I404 HydrophobicContact CG1-CG2 4.45Å; M382-I404 HydrophobicContact SD-CD1 4.44Å; A400-I404 WeakPolarHBondContact O-CD1 3.47Å; A400-I404 PolarHBondContact O-N 3.45Å; A400-I404 VanDerWaalsContact O-N 3.14Å; I404-P406 VanDerWaalsContact C-N 3.34Å; I404-S407 WeakPolarHBondContact O-CB 3.5Å; I404-S407 PolarHBondContact O-N 2.92Å; I404-S407 PolarHBondContact O-OG 3.15Å; I404-M408 HydrophobicContact CG2-CE 4.03Å |
| 405 | F | 91.4 | Very high | 88 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 4% | 0.039 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -49.3 | -42.7 | -179.9 | 179 | -109.5 | 0 | 0 | 0 | 114.8 | A401 S407 M408 A409 L412 M427 I430 Q431 L434 | A401-F405 VanDerWaalsContact O-CB 3.22Å; A401-F405 WeakPolarHBondContact O-CB 3.25Å; A401-F405 PolarHBondContact O-N 3.02Å; F405-S407 PolarHBondContact O-N 2.93Å; F405-S407 VanDerWaalsContact O-N 3.15Å; F405-M408 HydrophobicContact CD2-CG 4.43Å; F405-M408 WeakPolarHBondContact O-CG 3.25Å; F405-M408 PolarHBondContact O-N 2.77Å; F405-M408 VanDerWaalsContact O-N 3.14Å; F405-A409 HydrophobicContact CD1-CB 4.1Å; F405-A409 HydrophobicContact CE1-CB 3.77Å; F405-A409 HydrophobicContact CE2-CB 4.21Å; F405-A409 HydrophobicContact CG-CB 4.49Å; F405-A409 HydrophobicContact CZ-CB 3.84Å; F405-A409 VanDerWaalsContact O-CB 3.26Å; F405-A409 WeakPolarHBondContact O-CB 3.47Å; F405-A409 PolarHBondContact O-N 2.69Å; F405-L412 HydrophobicContact CE2-CD2 4.4Å; F405-M427 HydrophobicContact CD1-CE 4.12Å; F405-M427 HydrophobicContact CE1-CE 3.8Å; F405-M427 HydrophobicContact CE1-CG 3.88Å; F405-M427 HydrophobicContact CE1-SD 4.07Å; F405-M427 HydrophobicContact CZ-CG 4.17Å; F405-I430 HydrophobicContact CD2-CG2 4.17Å; F405-I430 HydrophobicContact CE2-CB 4.34Å; F405-I430 HydrophobicContact CE2-CG2 3.54Å; F405-I430 HydrophobicContact CZ-CG2 4.41Å; F405-Q431 HydrophobicContact CD1-CG 4.26Å; F405-Q431 HydrophobicContact CD2-CG 4.4Å; F405-Q431 HydrophobicContact CG-CG 4.14Å; F405-L434 HydrophobicContact CB-CD2 4.26Å |
| 406 | P | 92.3 | Very high | 89 | Confident | 90 Ų | 90 | 54.9 Ų | 54.9 | 58% | 0.584 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -55.3 | -32.2 | 178.1 | -27.7 | 35.8 | 0 | 0 | 0 | 114.8 | Q402 A403 I404 M408 | Q402-P406 WeakPolarHBondContact O-CD 3.44Å; A403-P406 WeakPolarHBondContact O-CD 3.47Å; I404-P406 VanDerWaalsContact C-N 3.34Å; P406-M408 VanDerWaalsContact C-N 3.34Å; P406-M408 PolarHBondContact O-N 3.2Å |
| 407 | S | 89.6 | Confident | 89.4 | Confident | 77 Ų | 77 | 57.1 Ų | 57.1 | 54% | 0.538 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.8 | -34.6 | -180 | 70.5 | 0 | 0 | 0 | 0 | 112.7 | I404 F405 | I404-S407 WeakPolarHBondContact O-CB 3.5Å; I404-S407 PolarHBondContact O-N 2.92Å; I404-S407 PolarHBondContact O-OG 3.15Å; F405-S407 PolarHBondContact O-N 2.93Å; F405-S407 VanDerWaalsContact O-N 3.15Å |
| 408 | M | 92.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -103.2 | -20 | -179.2 | 65.2 | 174.2 | 78.9 | 0 | 0 | 113.9 | V372 A375 F376 I404 F405 P406 R410 A411 L412 L434 F447 | V372-M408 HydrophobicContact CG2-CB 4.11Å; V372-M408 HydrophobicContact CG2-CE 4.43Å; V372-M408 HydrophobicContact CG2-SD 3.93Å; A375-M408 HydrophobicContact CB-CE 3.32Å; F376-M408 HydrophobicContact CD2-CE 4.49Å; F376-M408 HydrophobicContact CE2-CE 4.41Å; I404-M408 HydrophobicContact CG2-CE 4.03Å; F405-M408 HydrophobicContact CD2-CG 4.43Å; F405-M408 WeakPolarHBondContact O-CG 3.25Å; F405-M408 PolarHBondContact O-N 2.77Å; F405-M408 VanDerWaalsContact O-N 3.14Å; P406-M408 VanDerWaalsContact C-N 3.34Å; P406-M408 PolarHBondContact O-N 3.2Å; M408-R410 VanDerWaalsContact C-N 3.31Å; M408-R410 PolarHBondContact O-N 3.4Å; M408-A411 PolarHBondContact O-N 3.34Å; M408-L412 PolarHBondContact O-N 2.95Å; M408-L434 HydrophobicContact CE-CD1 4.25Å; M408-L434 HydrophobicContact CE-CD2 4.31Å; M408-L434 HydrophobicContact SD-CD2 4.46Å; M408-F447 HydrophobicContact SD-CE1 3.8Å; M408-F447 HydrophobicContact SD-CZ 4.06Å |
| 409 | A | 90.4 | Very high | 89.8 | Confident | 12 Ų | 12 | 49.3 Ų | 49.3 | 10% | 0.099 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -53.3 | -44 | -171 | 0 | 0 | 0 | 0 | 0 | 113.1 | F405 A411 L412 Q413 | F405-A409 HydrophobicContact CD1-CB 4.1Å; F405-A409 HydrophobicContact CE1-CB 3.77Å; F405-A409 HydrophobicContact CE2-CB 4.21Å; F405-A409 HydrophobicContact CG-CB 4.49Å; F405-A409 HydrophobicContact CZ-CB 3.84Å; F405-A409 VanDerWaalsContact O-CB 3.26Å; F405-A409 WeakPolarHBondContact O-CB 3.47Å; F405-A409 PolarHBondContact O-N 2.69Å; A409-A411 PolarHBondContact O-N 3.32Å; A409-L412 PolarHBondContact O-N 3.32Å; A409-Q413 VanDerWaalsContact O-CB 3.32Å; A409-Q413 WeakPolarHBondContact O-CB 3.36Å; A409-Q413 VanDerWaalsContact O-CG 3.25Å; A409-Q413 WeakPolarHBondContact O-CG 3.47Å; A409-Q413 PolarHBondContact O-N 2.97Å |
| 410 | R | 91.8 | Very high | 89.7 | Confident | 175 Ų | 175 | 47.2 Ų | 47.2 | 66% | 0.66 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -66.7 | -37.1 | -179.7 | -174.6 | 175.6 | -176 | -114.3 | 13.4 | 112.6 | M408 K414 | M408-R410 VanDerWaalsContact C-N 3.31Å; M408-R410 PolarHBondContact O-N 3.4Å; R410-K414 HydrophobicContact CG-CD 4.43Å; R410-K414 WeakPolarHBondContact O-CB 3.48Å; R410-K414 VanDerWaalsContact O-CG 3.25Å; R410-K414 WeakPolarHBondContact O-CG 3.28Å; R410-K414 PolarHBondContact O-N 3.01Å |
| 411 | A | 91.7 | Very high | 89.6 | Confident | 21 Ų | 21 | 47.8 Ų | 47.8 | 17% | 0.174 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.2 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L368 A371 M408 A409 K414 Y415 | L368-A411 HydrophobicContact CD1-CB 4.23Å; A371-A411 HydrophobicContact CB-CB 3.93Å; M408-A411 PolarHBondContact O-N 3.34Å; A409-A411 PolarHBondContact O-N 3.32Å; A411-K414 PolarHBondContact O-N 2.86Å; A411-Y415 PolarHBondContact O-N 3.28Å |
| 412 | L | 91.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.2 | -51.6 | 179.1 | -177 | 62.1 | 0 | 0 | 0 | 111.8 | L368 F405 M408 A409 K414 Y415 L416 I430 Y451 | L368-L412 HydrophobicContact CD1-CB 3.79Å; L368-L412 HydrophobicContact CD1-CD1 3.99Å; L368-L412 HydrophobicContact CD1-CG 4.5Å; L368-L412 HydrophobicContact CD2-CD1 3.81Å; F405-L412 HydrophobicContact CE2-CD2 4.4Å; M408-L412 PolarHBondContact O-N 2.95Å; A409-L412 PolarHBondContact O-N 3.32Å; L412-K414 VanDerWaalsContact C-N 3.31Å; L412-K414 PolarHBondContact O-N 3.4Å; L412-Y415 WeakPolarHBondContact O-CB 3.34Å; L412-Y415 PolarHBondContact O-N 3.33Å; L412-Y415 VanDerWaalsContact O-N 3.08Å; L412-L416 HydrophobicContact CD1-CD1 4.23Å; L412-L416 HydrophobicContact CD1-CG 4.22Å; L412-L416 HydrophobicContact CG-CD1 4.02Å; L412-L416 HydrophobicContact CG-CG 4.4Å; L412-L416 WeakPolarHBondContact O-CG 3.25Å; L412-L416 PolarHBondContact O-N 2.92Å; L412-I430 HydrophobicContact CD2-CD1 3.93Å; L412-I430 HydrophobicContact CD2-CG1 4.39Å; L412-I430 HydrophobicContact CD2-CG2 3.69Å; L412-Y451 HydrophobicContact CD1-CD1 4.29Å; L412-Y451 HydrophobicContact CD1-CD2 4.18Å; L412-Y451 HydrophobicContact CD1-CG 3.98Å |
| 413 | Q | 91.4 | Very high | 88.9 | Confident | 86 Ų | 86 | 51.5 Ų | 51.5 | 40% | 0.402 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.5 | -45.8 | 177.1 | -74.4 | 177.2 | -4.7 | 0 | 0 | 111.3 | A409 Y415 L416 R417 | A409-Q413 VanDerWaalsContact O-CB 3.32Å; A409-Q413 WeakPolarHBondContact O-CB 3.36Å; A409-Q413 VanDerWaalsContact O-CG 3.25Å; A409-Q413 WeakPolarHBondContact O-CG 3.47Å; A409-Q413 PolarHBondContact O-N 2.97Å; Q413-Y415 VanDerWaalsContact C-N 3.3Å; Q413-Y415 PolarHBondContact O-N 3.13Å; Q413-L416 PolarHBondContact O-N 3.38Å; Q413-R417 WeakPolarHBondContact O-CB 3.49Å; Q413-R417 WeakPolarHBondContact O-CG 3.45Å; Q413-R417 PolarHBondContact O-N 2.89Å |
| 414 | K | 91.8 | Very high | 88.4 | Confident | 57 Ų | 57 | 49.2 Ų | 49.2 | 25% | 0.248 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63 | -36.6 | 178.2 | -77 | -177.6 | -178.7 | -172.3 | 0 | 112.6 | R410 A411 L412 T418 | R410-K414 HydrophobicContact CG-CD 4.43Å; R410-K414 WeakPolarHBondContact O-CB 3.48Å; R410-K414 VanDerWaalsContact O-CG 3.25Å; R410-K414 WeakPolarHBondContact O-CG 3.28Å; R410-K414 PolarHBondContact O-N 3.01Å; A411-K414 PolarHBondContact O-N 2.86Å; L412-K414 VanDerWaalsContact C-N 3.31Å; L412-K414 PolarHBondContact O-N 3.4Å; K414-T418 WeakPolarHBondContact O-CB 3.35Å; K414-T418 PolarHBondContact O-N 3.39Å; K414-T418 PolarHBondContact O-OG1 3.33Å |
| 415 | Y | 92.5 | Very high | 88.2 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.8 | -55.8 | 173.5 | 178.7 | -100.2 | 0 | 0 | 0 | 110.4 | V361 R364 R365 L368 A411 L412 Q413 R417 T418 T419 Y451 L452 | V361-Y415 HydrophobicContact CG1-CE2 4.14Å; R364-Y415 HydrophobicContact CB-CD2 4.05Å; R365-Y415 HydrophobicContact CB-CD2 4.31Å; R365-Y415 HydrophobicContact CB-CE2 3.92Å; L368-Y415 HydrophobicContact CD2-CD1 3.85Å; L368-Y415 HydrophobicContact CD2-CG 3.86Å; A411-Y415 PolarHBondContact O-N 3.28Å; L412-Y415 WeakPolarHBondContact O-CB 3.34Å; L412-Y415 PolarHBondContact O-N 3.33Å; L412-Y415 VanDerWaalsContact O-N 3.08Å; Q413-Y415 VanDerWaalsContact C-N 3.3Å; Q413-Y415 PolarHBondContact O-N 3.13Å; Y415-R417 VanDerWaalsContact C-N 3.26Å; Y415-R417 PolarHBondContact O-N 3.39Å; Y415-T418 WeakPolarHBondContact O-CA 3.44Å; Y415-T418 WeakPolarHBondContact O-CB 3.33Å; Y415-T418 PolarHBondContact O-N 3.18Å; Y415-T419 HydrophobicContact CD1-CG2 4.45Å; Y415-T419 HydrophobicContact CD2-CG2 4.33Å; Y415-T419 HydrophobicContact CE1-CG2 3.99Å; Y415-T419 HydrophobicContact CE2-CG2 3.86Å; Y415-T419 PolarHBondContact O-N 3.3Å; Y415-T419 PolarHBondContact O-OG1 3.47Å; Y415-Y451 WeakPolarHBondContact CE1-O 3.46Å; Y415-L452 HydrophobicContact CD1-CD2 4.45Å; Y415-L452 HydrophobicContact CE1-CD2 3.76Å; Y415-L452 HydrophobicContact CE2-CD2 4.05Å |
| 416 | L | 89.7 | Confident | 88 | Confident | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.8 | -34.1 | 179.1 | -64.5 | 177.6 | 0 | 0 | 0 | 113.1 | L412 Q413 T419 K420 Q421 Q422 H425 I430 Y451 | L412-L416 HydrophobicContact CD1-CD1 4.23Å; L412-L416 HydrophobicContact CD1-CG 4.22Å; L412-L416 HydrophobicContact CG-CD1 4.02Å; L412-L416 HydrophobicContact CG-CG 4.4Å; L412-L416 WeakPolarHBondContact O-CG 3.25Å; L412-L416 PolarHBondContact O-N 2.92Å; Q413-L416 PolarHBondContact O-N 3.38Å; L416-T419 WeakPolarHBondContact CA-OG1 3.46Å; L416-T419 PolarHBondContact O-OG1 3.33Å; L416-K420 CarbonylContact O-C 3.56Å; L416-K420 WeakPolarHBondContact O-CA 3.37Å; L416-K420 PolarHBondContact O-N 3.14Å; L416-Q421 HydrophobicContact CD2-CB 3.85Å; L416-Q421 PolarHBondContact O-N 3.01Å; L416-Q422 HydrophobicContact CB-CG 4.18Å; L416-H425 HydrophobicContact CD1-CB 4.24Å; L416-I430 HydrophobicContact CD1-CD1 4.3Å; L416-Y451 HydrophobicContact CD2-CD1 4.37Å |
| 417 | R | 89.1 | Confident | 87.7 | Confident | 138 Ų | 138 | 53.3 Ų | 53.3 | 52% | 0.521 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 173.6 | -56.9 | -132 | 174.1 | 114.7 | 5.2 | 112 | Q413 Y415 K420 Q422 | Q413-R417 WeakPolarHBondContact O-CB 3.49Å; Q413-R417 WeakPolarHBondContact O-CG 3.45Å; Q413-R417 PolarHBondContact O-N 2.89Å; Y415-R417 VanDerWaalsContact C-N 3.26Å; Y415-R417 PolarHBondContact O-N 3.39Å; R417-K420 PolarHBondContact O-N 3.1Å; R417-Q422 VanDerWaalsContact CA-NE2 3.33Å; R417-Q422 HydrophobicContact CB-CG 4.47Å; R417-Q422 VanDerWaalsContact CD-OE1 3.27Å; R417-Q422 HydrophobicContact CG-CG 4.02Å; R417-Q422 VanDerWaalsContact CG-NE2 3.34Å |
| 418 | T | 88.6 | Confident | 87.6 | Confident | 32 Ų | 32 | 56.1 Ų | 56.1 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.2 | -40.4 | -177.5 | -52 | 0 | 0 | 0 | 0 | 110.4 | H357 R360 V361 K414 Y415 K420 | H357-T418 PolarHBondContact CE1-O 2.91Å; R360-T418 HydrophobicContact CB-CG2 4.46Å; V361-T418 HydrophobicContact CG2-CG2 3.77Å; K414-T418 WeakPolarHBondContact O-CB 3.35Å; K414-T418 PolarHBondContact O-N 3.39Å; K414-T418 PolarHBondContact O-OG1 3.33Å; Y415-T418 WeakPolarHBondContact O-CA 3.44Å; Y415-T418 WeakPolarHBondContact O-CB 3.33Å; Y415-T418 PolarHBondContact O-N 3.18Å; T418-K420 VanDerWaalsContact C-N 3.28Å |
| 419 | T | 86.4 | Confident | 87.3 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 10% | 0.098 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -2.7 | 175.4 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | V361 Y415 L416 Q421 | V361-T419 HydrophobicContact CG1-CG2 4.17Å; V361-T419 HydrophobicContact CG2-CG2 4.49Å; Y415-T419 HydrophobicContact CD1-CG2 4.45Å; Y415-T419 HydrophobicContact CD2-CG2 4.33Å; Y415-T419 HydrophobicContact CE1-CG2 3.99Å; Y415-T419 HydrophobicContact CE2-CG2 3.86Å; Y415-T419 PolarHBondContact O-N 3.3Å; Y415-T419 PolarHBondContact O-OG1 3.47Å; L416-T419 WeakPolarHBondContact CA-OG1 3.46Å; L416-T419 PolarHBondContact O-OG1 3.33Å; T419-Q421 VanDerWaalsContact C-N 3.26Å; T419-Q421 PolarHBondContact O-N 3.24Å; T419-Q421 PolarHBondContact OG1-OE1 3.04Å |
| 420 | K | 84.5 | Confident | 87.3 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 32.1 | -176.7 | -56.5 | -169.5 | 175.9 | -164.6 | 0 | 114.7 | N293 A295 L296 L416 R417 T418 H423 | N293-K420 PolarHBondContact ND2-O 3.37Å; N293-K420 VanDerWaalsContact ND2-O 3.11Å; A295-K420 HydrophobicContact CB-CB 4.14Å; A295-K420 HydrophobicContact CB-CD 3.78Å; A295-K420 WeakPolarHBondContact O-CD 2.97Å; A295-K420 WeakPolarHBondContact O-CE 3.47Å; A295-K420 PolarHBondContact O-NZ 3.02Å; L296-K420 HydrophobicContact CD2-CB 4.45Å; L296-K420 HydrophobicContact CD2-CD 4.43Å; L416-K420 CarbonylContact O-C 3.56Å; L416-K420 WeakPolarHBondContact O-CA 3.37Å; L416-K420 PolarHBondContact O-N 3.14Å; R417-K420 PolarHBondContact O-N 3.1Å; T418-K420 VanDerWaalsContact C-N 3.28Å; K420-H423 PolarHBondContact O-CE1 2.92Å; K420-H423 PolarHBondContact O-ND1 3.41Å |
| 421 | Q | 82.9 | Confident | 87.2 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | trans | -95.8 | 7.2 | 179.5 | -70.9 | 166.7 | -33.2 | 0 | 0 | 113.7 | L416 T419 H423 C424 | L416-Q421 HydrophobicContact CD2-CB 3.85Å; L416-Q421 PolarHBondContact O-N 3.01Å; T419-Q421 VanDerWaalsContact C-N 3.26Å; T419-Q421 PolarHBondContact O-N 3.24Å; T419-Q421 PolarHBondContact OG1-OE1 3.04Å; Q421-H423 PolarHBondContact O-N 3.02Å; Q421-H423 VanDerWaalsContact O-N 3.13Å; Q421-C424 PolarHBondContact O-N 3.44Å | ||
| 422 | Q | 83.3 | Confident | 87.1 | Confident | 96 Ų | 96 | 56.9 Ų | 56.9 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -56.4 | -31.8 | -176.2 | -67.5 | 175.6 | 80 | 0 | 0 | 114.2 | L416 R417 C424 | L416-Q422 HydrophobicContact CB-CG 4.18Å; R417-Q422 VanDerWaalsContact CA-NE2 3.33Å; R417-Q422 HydrophobicContact CB-CG 4.47Å; R417-Q422 VanDerWaalsContact CD-OE1 3.27Å; R417-Q422 HydrophobicContact CG-CG 4.02Å; R417-Q422 VanDerWaalsContact CG-NE2 3.34Å; Q422-C424 VanDerWaalsContact C-N 3.29Å; Q422-C424 PolarHBondContact O-N 3.31Å |
| 423 | H | 79.8 | Confident | 87.1 | Confident | 97 Ų | 97 | 59 Ų | 59 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -75.2 | -19.2 | -178.7 | 63.7 | -81.6 | 0 | 0 | 0 | 113 | K420 Q421 | K420-H423 PolarHBondContact O-CE1 2.92Å; K420-H423 PolarHBondContact O-ND1 3.41Å; Q421-H423 PolarHBondContact O-N 3.02Å; Q421-H423 VanDerWaalsContact O-N 3.13Å |
| 424 | C | 77 | Confident | 87.1 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 11% | 0.108 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -86.2 | -16.9 | -178.7 | -55.1 | 0 | 0 | 0 | 0 | 113.1 | Q421 Q422 Y460 | Q421-C424 PolarHBondContact O-N 3.44Å; Q422-C424 VanDerWaalsContact C-N 3.29Å; Q422-C424 PolarHBondContact O-N 3.31Å; C424-Y460 HydrophobicContact CB-CD1 3.84Å; C424-Y460 HydrophobicContact CB-CE1 3.75Å |
| 425 | H | 83.9 | Confident | 87.1 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 10% | 0.097 | 26% | 0.258 | C | S | . | . | trans | -133.6 | 105.2 | -171 | -57.3 | -74.3 | 0 | 0 | 0 | 110.6 | L416 I430 S450 Y451 Y460 | L416-H425 HydrophobicContact CD1-CB 4.24Å; H425-I430 HydrophobicContact CB-CD1 4.04Å; H425-I430 HydrophobicContact CB-CG1 4.14Å; H425-S450 PolarHBondContact CE1-O 3Å; H425-Y451 HydrophobicContact CB-CE1 4.4Å; H425-Y451 AromaticContact CE1-CD1 3.66Å; H425-Y451 AromaticContact CE1-CE1 3.86Å; H425-Y451 AromaticContact CG-CD1 3.98Å; H425-Y451 AromaticContact CG-CE1 3.91Å; H425-Y451 AromaticContact ND1-CD1 3.78Å; H425-Y451 AromaticContact ND1-CE1 3.55Å; H425-Y451 AromaticContact NE2-CD1 3.84Å; H425-Y460 AromaticContact CE1-CE1 3.59Å; H425-Y460 AromaticContact NE2-CE1 3.84Å | ||
| 426 | S | 86.2 | Confident | 87.1 | Confident | 65 Ų | 65 | 57.3 Ų | 57.3 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | trans | -75.5 | 157.1 | 169.4 | 70.1 | 0 | 0 | 0 | 0 | 110.8 | E428 S429 I430 | S426-E428 VanDerWaalsContact C-N 3.27Å; S426-E428 PolarHBondContact O-N 3.46Å; S426-S429 PolarHBondContact O-N 2.92Å; S426-S429 VanDerWaalsContact OG-CB 3.27Å; S426-S429 WeakPolarHBondContact OG-CB 3.37Å; S426-S429 PolarHBondContact OG-N 3.41Å; S426-S429 VanDerWaalsContact OG-N 3.1Å; S426-I430 WeakPolarHBondContact O-CD1 3.45Å; S426-I430 VanDerWaalsContact O-CG1 3.29Å; S426-I430 WeakPolarHBondContact O-CG1 3.42Å; S426-I430 PolarHBondContact O-N 3.37Å; S426-I430 VanDerWaalsContact O-N 3.08Å | ||
| 427 | M | 87 | Confident | 87.2 | Confident | 105 Ų | 105 | 57 Ų | 57 | 52% | 0.517 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.6 | -41.6 | 175.2 | 177.1 | 167.7 | 165 | 0 | 0 | 111.6 | F405 I430 Q431 | F405-M427 HydrophobicContact CD1-CE 4.12Å; F405-M427 HydrophobicContact CE1-CE 3.8Å; F405-M427 HydrophobicContact CE1-CG 3.88Å; F405-M427 HydrophobicContact CE1-SD 4.07Å; F405-M427 HydrophobicContact CZ-CG 4.17Å; M427-I430 PolarHBondContact O-N 3.44Å; M427-Q431 VanDerWaalsContact CE-NE2 3.34Å; M427-Q431 WeakPolarHBondContact O-CG 3.46Å; M427-Q431 PolarHBondContact O-N 3.21Å |
| 428 | E | 86.6 | Confident | 87.3 | Confident | 137 Ų | 137 | 51 Ų | 51 | 64% | 0.64 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61.9 | -45.5 | 177.6 | -65.7 | 169.9 | -170.2 | 0 | 0 | 111.9 | S426 I430 Q431 Q432 | S426-E428 VanDerWaalsContact C-N 3.27Å; S426-E428 PolarHBondContact O-N 3.46Å; E428-I430 VanDerWaalsContact C-N 3.31Å; E428-I430 PolarHBondContact O-N 3.39Å; E428-Q431 PolarHBondContact O-N 3.31Å; E428-Q432 WeakPolarHBondContact O-CB 3.36Å; E428-Q432 VanDerWaalsContact O-CG 3.22Å; E428-Q432 WeakPolarHBondContact O-CG 3.49Å; E428-Q432 PolarHBondContact O-N 2.82Å |
| 429 | S | 87 | Confident | 87.4 | Confident | 49 Ų | 49 | 53.5 Ų | 53.5 | 34% | 0.343 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 177.4 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | S426 H433 | S426-S429 PolarHBondContact O-N 2.92Å; S426-S429 VanDerWaalsContact OG-CB 3.27Å; S426-S429 WeakPolarHBondContact OG-CB 3.37Å; S426-S429 PolarHBondContact OG-N 3.41Å; S426-S429 VanDerWaalsContact OG-N 3.1Å; S429-H433 WeakPolarHBondContact O-CB 3.35Å; S429-H433 PolarHBondContact O-N 3.33Å |
| 430 | I | 90 | Very high | 87.6 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 5% | 0.046 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 176.4 | -64 | 160.9 | 0 | 0 | 0 | 111.1 | F405 L412 L416 H425 S426 M427 E428 H433 L434 F447 Y451 | F405-I430 HydrophobicContact CD2-CG2 4.17Å; F405-I430 HydrophobicContact CE2-CB 4.34Å; F405-I430 HydrophobicContact CE2-CG2 3.54Å; F405-I430 HydrophobicContact CZ-CG2 4.41Å; L412-I430 HydrophobicContact CD2-CD1 3.93Å; L412-I430 HydrophobicContact CD2-CG1 4.39Å; L412-I430 HydrophobicContact CD2-CG2 3.69Å; L416-I430 HydrophobicContact CD1-CD1 4.3Å; H425-I430 HydrophobicContact CB-CD1 4.04Å; H425-I430 HydrophobicContact CB-CG1 4.14Å; S426-I430 WeakPolarHBondContact O-CD1 3.45Å; S426-I430 VanDerWaalsContact O-CG1 3.29Å; S426-I430 WeakPolarHBondContact O-CG1 3.42Å; S426-I430 PolarHBondContact O-N 3.37Å; S426-I430 VanDerWaalsContact O-N 3.08Å; M427-I430 PolarHBondContact O-N 3.44Å; E428-I430 VanDerWaalsContact C-N 3.31Å; E428-I430 PolarHBondContact O-N 3.39Å; I430-H433 PolarHBondContact O-N 3.08Å; I430-L434 WeakPolarHBondContact O-CB 3.45Å; I430-L434 PolarHBondContact O-N 3.18Å; I430-F447 HydrophobicContact CG2-CE2 4.43Å; I430-F447 HydrophobicContact CG2-CZ 4.08Å; I430-Y451 WeakPolarHBondContact CA-OH 3.24Å; I430-Y451 HydrophobicContact CG1-CE1 3.81Å; I430-Y451 WeakPolarHBondContact CG2-OH 3.31Å |
| 431 | Q | 90.3 | Very high | 87.8 | Confident | 37 Ų | 37 | 59.6 Ų | 59.6 | 17% | 0.173 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 177.8 | -74.1 | -179.3 | -24.2 | 0 | 0 | 112.1 | F405 M427 E428 L434 A435 | F405-Q431 HydrophobicContact CD1-CG 4.26Å; F405-Q431 HydrophobicContact CD2-CG 4.4Å; F405-Q431 HydrophobicContact CG-CG 4.14Å; M427-Q431 VanDerWaalsContact CE-NE2 3.34Å; M427-Q431 WeakPolarHBondContact O-CG 3.46Å; M427-Q431 PolarHBondContact O-N 3.21Å; E428-Q431 PolarHBondContact O-N 3.31Å; Q431-L434 PolarHBondContact O-N 3.04Å; Q431-A435 WeakPolarHBondContact O-CB 3.4Å; Q431-A435 PolarHBondContact O-N 3.49Å |
| 432 | Q | 90.3 | Very high | 88.2 | Confident | 129 Ų | 129 | 61.6 Ų | 61.6 | 60% | 0.603 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.6 | -43.6 | 174 | -73.9 | 170.1 | 1 | 0 | 0 | 111.8 | E428 A435 F436 | E428-Q432 WeakPolarHBondContact O-CB 3.36Å; E428-Q432 VanDerWaalsContact O-CG 3.22Å; E428-Q432 WeakPolarHBondContact O-CG 3.49Å; E428-Q432 PolarHBondContact O-N 2.82Å; Q432-A435 PolarHBondContact O-N 3.03Å; Q432-F436 WeakPolarHBondContact O-CB 3.25Å; Q432-F436 PolarHBondContact O-N 2.96Å |
| 433 | H | 90.7 | Very high | 88.7 | Confident | 44 Ų | 44 | 61 Ų | 61 | 20% | 0.204 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 175.9 | -175.3 | 53.9 | 0 | 0 | 0 | 112 | S429 I430 F436 C437 F447 S450 | S429-H433 WeakPolarHBondContact O-CB 3.35Å; S429-H433 PolarHBondContact O-N 3.33Å; I430-H433 PolarHBondContact O-N 3.08Å; H433-F436 WeakPolarHBondContact O-CB 3.37Å; H433-F436 PolarHBondContact O-N 2.88Å; H433-C437 PolarHBondContact O-N 3.44Å; H433-C437 PolarHBondContact O-SG 3.45Å; H433-F447 AromaticContact CD2-CD2 3.49Å; H433-F447 VanDerWaalsContact CD2-CD2 3.49Å; H433-F447 WeakPolarHBondContact CD2-CD2 3.27Å; H433-F447 AromaticContact CD2-CE2 3.81Å; H433-S450 PolarHBondContact CE1-OG 3.47Å; H433-S450 PolarHBondContact NE2-OG 3.22Å |
| 434 | L | 92.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 174.8 | -177.9 | 61.1 | 0 | 0 | 0 | 111.3 | F376 A401 F405 M408 I430 Q431 F436 C437 I438 F447 | F376-L434 HydrophobicContact CE2-CD1 3.71Å; F376-L434 HydrophobicContact CZ-CD1 3.8Å; A401-L434 HydrophobicContact CB-CB 4.14Å; A401-L434 HydrophobicContact CB-CD2 3.94Å; A401-L434 HydrophobicContact CB-CG 3.83Å; A401-L434 WeakPolarHBondContact O-CD2 3.3Å; F405-L434 HydrophobicContact CB-CD2 4.26Å; M408-L434 HydrophobicContact CE-CD1 4.25Å; M408-L434 HydrophobicContact CE-CD2 4.31Å; M408-L434 HydrophobicContact SD-CD2 4.46Å; I430-L434 WeakPolarHBondContact O-CB 3.45Å; I430-L434 PolarHBondContact O-N 3.18Å; Q431-L434 PolarHBondContact O-N 3.04Å; L434-F436 VanDerWaalsContact C-N 3.33Å; L434-F436 PolarHBondContact O-N 3.13Å; L434-C437 WeakPolarHBondContact O-CB 3.25Å; L434-C437 PolarHBondContact O-N 3.32Å; L434-C437 VanDerWaalsContact O-N 3.14Å; L434-I438 HydrophobicContact CD1-CD1 4.46Å; L434-I438 HydrophobicContact CG-CD1 4.2Å; L434-I438 WeakPolarHBondContact O-CG1 3.49Å; L434-I438 PolarHBondContact O-N 3.29Å; L434-F447 HydrophobicContact CB-CD2 4.39Å; L434-F447 HydrophobicContact CB-CE2 3.83Å; L434-F447 HydrophobicContact CD1-CD2 4.13Å; L434-F447 HydrophobicContact CD1-CE2 4.05Å; L434-F447 HydrophobicContact CD1-CZ 4.4Å |
| 435 | A | 91.3 | Very high | 90 | Very high | 7 Ų | 7 | 64.3 Ų | 64.3 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R398 A401 Q431 Q432 C437 I438 T439 | R398-A435 HydrophobicContact CG-CB 4Å; A401-A435 HydrophobicContact CB-CB 3.92Å; Q431-A435 WeakPolarHBondContact O-CB 3.4Å; Q431-A435 PolarHBondContact O-N 3.49Å; Q432-A435 PolarHBondContact O-N 3.03Å; A435-C437 VanDerWaalsContact C-N 3.31Å; A435-C437 PolarHBondContact O-N 3.14Å; A435-I438 PolarHBondContact O-N 3.28Å; A435-T439 PolarHBondContact O-N 2.91Å; A435-T439 PolarHBondContact O-OG1 3.36Å |
| 436 | F | 91.7 | Very high | 90.3 | Very high | 114 Ų | 114 | 64.8 Ų | 64.8 | 50% | 0.5 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.9 | -41 | 174.4 | 176.9 | -93.3 | 0 | 0 | 0 | 112.4 | Q432 H433 L434 N440 L442 | Q432-F436 WeakPolarHBondContact O-CB 3.25Å; Q432-F436 PolarHBondContact O-N 2.96Å; H433-F436 WeakPolarHBondContact O-CB 3.37Å; H433-F436 PolarHBondContact O-N 2.88Å; L434-F436 VanDerWaalsContact C-N 3.33Å; L434-F436 PolarHBondContact O-N 3.13Å; F436-N440 WeakPolarHBondContact CD2-ND2 3.32Å; F436-N440 VanDerWaalsContact CE2-ND2 3.27Å; F436-N440 WeakPolarHBondContact CE2-ND2 3.47Å; F436-N440 PolarHBondContact O-N 3.29Å; F436-N440 VanDerWaalsContact O-N 3.13Å; F436-N440 PolarHBondContact O-ND2 3.38Å; F436-L442 HydrophobicContact CD1-CD1 4.21Å; F436-L442 HydrophobicContact CE1-CD1 3.98Å |
| 437 | C | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 176.5 | -67.3 | 0 | 0 | 0 | 0 | 112 | F376 H433 L434 A435 N441 L442 F447 | F376-C437 HydrophobicContact CE1-CB 4.44Å; F376-C437 HydrophobicContact CZ-CB 4.19Å; H433-C437 PolarHBondContact O-N 3.44Å; H433-C437 PolarHBondContact O-SG 3.45Å; L434-C437 WeakPolarHBondContact O-CB 3.25Å; L434-C437 PolarHBondContact O-N 3.32Å; L434-C437 VanDerWaalsContact O-N 3.14Å; A435-C437 VanDerWaalsContact C-N 3.31Å; A435-C437 PolarHBondContact O-N 3.14Å; C437-N441 PolarHBondContact O-N 3.44Å; C437-N441 VanDerWaalsContact O-N 3.17Å; C437-L442 HydrophobicContact CB-CB 4.05Å; C437-L442 HydrophobicContact CB-CD1 4.33Å; C437-L442 PolarHBondContact O-N 3.11Å; C437-F447 HydrophobicContact CB-CB 4.5Å |
| 438 | I | 90.1 | Very high | 90.8 | Very high | 11 Ų | 11 | 56.9 Ų | 56.9 | 6% | 0.056 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.8 | -47.7 | 177.1 | -64.9 | 170.6 | 0 | 0 | 0 | 110.4 | I379 P397 A400 A401 L434 A435 N440 N441 | I379-I438 HydrophobicContact CD1-CD1 3.64Å; I379-I438 HydrophobicContact CD1-CG1 3.85Å; I379-I438 HydrophobicContact CG1-CD1 4.41Å; I379-I438 HydrophobicContact CG2-CG2 4.46Å; P397-I438 HydrophobicContact CB-CB 4.49Å; P397-I438 HydrophobicContact CB-CG2 4.1Å; A400-I438 HydrophobicContact CB-CD1 4.24Å; A401-I438 HydrophobicContact CB-CD1 3.97Å; L434-I438 HydrophobicContact CD1-CD1 4.46Å; L434-I438 HydrophobicContact CG-CD1 4.2Å; L434-I438 WeakPolarHBondContact O-CG1 3.49Å; L434-I438 PolarHBondContact O-N 3.29Å; A435-I438 PolarHBondContact O-N 3.28Å; I438-N440 PolarHBondContact O-N 2.97Å; I438-N441 PolarHBondContact O-N 3.11Å; I438-N441 VanDerWaalsContact O-N 3.17Å |
| 439 | T | 90.6 | Very high | 91 | Very high | 85 Ų | 85 | 56.3 Ų | 56.3 | 52% | 0.521 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.1 | -36.4 | 179.4 | -56.5 | 0 | 0 | 0 | 0 | 112.6 | P397 A435 | P397-T439 VanDerWaalsContact CB-OG1 3.3Å; P397-T439 WeakPolarHBondContact CB-OG1 3.48Å; A435-T439 PolarHBondContact O-N 2.91Å; A435-T439 PolarHBondContact O-OG1 3.36Å |
| 440 | N | 91.4 | Very high | 90.9 | Very high | 83 Ų | 83 | 54.8 Ų | 54.8 | 44% | 0.444 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 11.1 | -177.7 | -64.7 | -80.9 | 0 | 0 | 0 | 113.6 | F436 I438 L442 | F436-N440 WeakPolarHBondContact CD2-ND2 3.32Å; F436-N440 VanDerWaalsContact CE2-ND2 3.27Å; F436-N440 WeakPolarHBondContact CE2-ND2 3.47Å; F436-N440 PolarHBondContact O-N 3.29Å; F436-N440 VanDerWaalsContact O-N 3.13Å; F436-N440 PolarHBondContact O-ND2 3.38Å; I438-N440 PolarHBondContact O-N 2.97Å; N440-L442 HydrophobicContact CB-CD2 4.24Å; N440-L442 HydrophobicContact CB-CG 4.02Å; N440-L442 PolarHBondContact O-N 3.29Å |
| 441 | N | 88.4 | Confident | 90.8 | Very high | 125 Ų | 125 | 54.6 Ų | 54.6 | 67% | 0.668 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 38.9 | -178.3 | -63.5 | -45.4 | 0 | 0 | 0 | 113.8 | C437 I438 | C437-N441 PolarHBondContact O-N 3.44Å; C437-N441 VanDerWaalsContact O-N 3.17Å; I438-N441 PolarHBondContact O-N 3.11Å; I438-N441 VanDerWaalsContact O-N 3.17Å |
| 442 | L | 92.1 | Very high | 90.7 | Very high | 63 Ų | 63 | 54.3 Ų | 54.3 | 33% | 0.33 | 28% | 0.282 | S | S | . | . | trans | -73.6 | 152.2 | 178.5 | -59.4 | -174.6 | 0 | 0 | 0 | 111.5 | F376 F436 C437 N440 A446 | F376-L442 WeakPolarHBondContact CE1-O 3.29Å; F436-L442 HydrophobicContact CD1-CD1 4.21Å; F436-L442 HydrophobicContact CE1-CD1 3.98Å; C437-L442 HydrophobicContact CB-CB 4.05Å; C437-L442 HydrophobicContact CB-CD1 4.33Å; C437-L442 PolarHBondContact O-N 3.11Å; N440-L442 HydrophobicContact CB-CD2 4.24Å; N440-L442 HydrophobicContact CB-CG 4.02Å; N440-L442 PolarHBondContact O-N 3.29Å; L442-A446 HydrophobicContact CB-CB 4.1Å | ||
| 443 | T | 93.2 | Very high | 90.3 | Very high | 83 Ų | 83 | 52.1 Ų | 52.1 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | trans | -74.3 | 158.6 | 179.1 | 67.3 | 0 | 0 | 0 | 0 | 112.1 | K445 A446 F447 | T443-K445 PolarHBondContact O-N 3.18Å; T443-K445 VanDerWaalsContact O-N 3.11Å; T443-A446 WeakPolarHBondContact O-CB 3.41Å; T443-A446 PolarHBondContact O-N 2.84Å; T443-A446 PolarHBondContact OG1-N 3.46Å; T443-F447 PolarHBondContact O-N 3.39Å | ||
| 444 | P | 92.4 | Very high | 89.3 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 21% | 0.208 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -53.4 | -34 | 173.4 | -24.1 | 31.7 | 0 | 0 | 0 | 112.8 | V372 E373 F376 L448 | V372-P444 HydrophobicContact CG1-CB 4.03Å; E373-P444 HydrophobicContact CG-CB 4.11Å; E373-P444 HydrophobicContact CG-CG 4.43Å; F376-P444 HydrophobicContact CB-CB 4.36Å; F376-P444 HydrophobicContact CB-CG 3.61Å; F376-P444 HydrophobicContact CD1-CG 4.09Å; F376-P444 HydrophobicContact CD2-CB 4.27Å; F376-P444 HydrophobicContact CD2-CG 4.35Å; F376-P444 HydrophobicContact CG-CB 4.19Å; F376-P444 HydrophobicContact CG-CG 3.78Å; P444-L448 VanDerWaalsContact O-CG 3.25Å; P444-L448 WeakPolarHBondContact O-CG 3.36Å; P444-L448 PolarHBondContact O-N 3Å; P444-L448 VanDerWaalsContact O-N 3.11Å |
| 445 | K | 91.5 | Very high | 88.3 | Confident | 152 Ų | 152 | 53 Ų | 53 | 66% | 0.661 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -67.9 | -39.3 | 179 | -68.2 | -176.3 | 178.3 | 176.2 | 0 | 112.2 | T443 L448 E449 | T443-K445 PolarHBondContact O-N 3.18Å; T443-K445 VanDerWaalsContact O-N 3.11Å; K445-L448 PolarHBondContact O-N 3Å; K445-E449 PolarHBondContact O-N 3.13Å |
| 446 | A | 90.7 | Very high | 87.5 | Confident | 30 Ų | 30 | 55.1 Ų | 55.1 | 25% | 0.248 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.2 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L442 T443 L448 E449 | L442-A446 HydrophobicContact CB-CB 4.1Å; T443-A446 WeakPolarHBondContact O-CB 3.41Å; T443-A446 PolarHBondContact O-N 2.84Å; T443-A446 PolarHBondContact OG1-N 3.46Å; A446-L448 VanDerWaalsContact C-N 3.33Å; A446-L448 PolarHBondContact O-N 3.08Å; A446-E449 WeakPolarHBondContact O-CB 3.15Å; A446-E449 PolarHBondContact O-N 3.4Å |
| 447 | F | 92.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 172 | 171.3 | -101 | 0 | 0 | 0 | 112.1 | V372 F376 M408 I430 H433 L434 C437 T443 E449 Y451 | V372-F447 HydrophobicContact CG1-CD1 3.73Å; V372-F447 HydrophobicContact CG1-CE1 4.26Å; V372-F447 HydrophobicContact CG2-CD1 4.34Å; V372-F447 HydrophobicContact CG2-CE1 4.14Å; F376-F447 HydrophobicContact CE2-CB 4.19Å; F376-F447 HydrophobicContact CE2-CD1 4.3Å; F376-F447 HydrophobicContact CE2-CG 4.25Å; F376-F447 HydrophobicContact CZ-CB 3.86Å; F376-F447 HydrophobicContact CZ-CG 4.23Å; M408-F447 HydrophobicContact SD-CE1 3.8Å; M408-F447 HydrophobicContact SD-CZ 4.06Å; I430-F447 HydrophobicContact CG2-CE2 4.43Å; I430-F447 HydrophobicContact CG2-CZ 4.08Å; H433-F447 AromaticContact CD2-CD2 3.49Å; H433-F447 VanDerWaalsContact CD2-CD2 3.49Å; H433-F447 WeakPolarHBondContact CD2-CD2 3.27Å; H433-F447 AromaticContact CD2-CE2 3.81Å; L434-F447 HydrophobicContact CB-CD2 4.39Å; L434-F447 HydrophobicContact CB-CE2 3.83Å; L434-F447 HydrophobicContact CD1-CD2 4.13Å; L434-F447 HydrophobicContact CD1-CE2 4.05Å; L434-F447 HydrophobicContact CD1-CZ 4.4Å; C437-F447 HydrophobicContact CB-CB 4.5Å; T443-F447 PolarHBondContact O-N 3.39Å; F447-E449 VanDerWaalsContact C-N 3.31Å; F447-E449 PolarHBondContact O-N 3.31Å; F447-Y451 HydrophobicContact CD1-CE2 4.27Å; F447-Y451 HydrophobicContact CD2-CE2 4.18Å; F447-Y451 HydrophobicContact CE1-CD2 4.38Å; F447-Y451 AromaticContact CE1-CE2 3.83Å; F447-Y451 HydrophobicContact CE1-CE2 3.83Å; F447-Y451 AromaticContact CE2-CE2 3.7Å; F447-Y451 HydrophobicContact CE2-CE2 3.7Å; F447-Y451 HydrophobicContact CG-CE2 4.45Å; F447-Y451 HydrophobicContact CZ-CD2 4.47Å; F447-Y451 AromaticContact CZ-CE2 3.52Å; F447-Y451 HydrophobicContact CZ-CE2 3.52Å; F447-Y451 WeakPolarHBondContact O-CD2 3.49Å; F447-Y451 VanDerWaalsContact O-CE2 3.3Å; F447-Y451 WeakPolarHBondContact O-CE2 3.47Å |
| 448 | L | 92.6 | Very high | 85.2 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.8 | -25.9 | -178.8 | -74.8 | 170.8 | 0 | 0 | 0 | 113.7 | L368 V369 V372 P444 K445 A446 S450 Y451 L452 | L368-L448 HydrophobicContact CD1-CD2 4.16Å; L368-L448 HydrophobicContact CD2-CD2 3.92Å; L368-L448 HydrophobicContact CG-CD2 3.67Å; V369-L448 HydrophobicContact CB-CD1 4.34Å; V369-L448 HydrophobicContact CG2-CD1 4.01Å; V372-L448 HydrophobicContact CB-CD1 4.2Å; V372-L448 HydrophobicContact CB-CD2 4.2Å; V372-L448 HydrophobicContact CB-CG 4.28Å; V372-L448 HydrophobicContact CG1-CD1 4.3Å; V372-L448 HydrophobicContact CG1-CD2 4.4Å; V372-L448 HydrophobicContact CG1-CG 4.1Å; V372-L448 HydrophobicContact CG2-CD2 3.76Å; V372-L448 HydrophobicContact CG2-CG 4.34Å; P444-L448 VanDerWaalsContact O-CG 3.25Å; P444-L448 WeakPolarHBondContact O-CG 3.36Å; P444-L448 PolarHBondContact O-N 3Å; P444-L448 VanDerWaalsContact O-N 3.11Å; K445-L448 PolarHBondContact O-N 3Å; A446-L448 VanDerWaalsContact C-N 3.33Å; A446-L448 PolarHBondContact O-N 3.08Å; L448-S450 VanDerWaalsContact C-N 3.26Å; L448-S450 PolarHBondContact O-N 3.31Å; L448-Y451 PolarHBondContact O-N 3.4Å; L448-L452 HydrophobicContact CB-CD1 3.86Å; L448-L452 HydrophobicContact CB-CG 4.18Å; L448-L452 HydrophobicContact CD1-CD1 4.48Å; L448-L452 WeakPolarHBondContact O-CB 3.43Å; L448-L452 WeakPolarHBondContact O-CG 3.36Å; L448-L452 PolarHBondContact O-N 2.93Å |
| 449 | E | 89.7 | Confident | 84.1 | Confident | 126 Ų | 126 | 57.7 Ų | 57.7 | 59% | 0.589 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -55.4 | -43.5 | -178 | -169.8 | 173.9 | -174.2 | 0 | 0 | 111.6 | K445 A446 F447 Y451 L452 T453 | K445-E449 PolarHBondContact O-N 3.13Å; A446-E449 WeakPolarHBondContact O-CB 3.15Å; A446-E449 PolarHBondContact O-N 3.4Å; F447-E449 VanDerWaalsContact C-N 3.31Å; F447-E449 PolarHBondContact O-N 3.31Å; E449-Y451 PolarHBondContact O-N 2.67Å; E449-L452 PolarHBondContact O-N 3.42Å; E449-T453 PolarHBondContact O-N 3.32Å; E449-T453 VanDerWaalsContact O-N 3.07Å; E449-T453 VanDerWaalsContact O-O 3.09Å |
| 450 | S | 85.5 | Confident | 83 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 12% | 0.119 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.7 | -18 | 177.4 | -58.2 | 0 | 0 | 0 | 0 | 115.2 | H425 H433 L448 | H425-S450 PolarHBondContact CE1-O 3Å; H433-S450 PolarHBondContact CE1-OG 3.47Å; H433-S450 PolarHBondContact NE2-OG 3.22Å; L448-S450 VanDerWaalsContact C-N 3.26Å; L448-S450 PolarHBondContact O-N 3.31Å |
| 451 | Y | 87.8 | Confident | 81.6 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -117.3 | -34.3 | -177.6 | -50.5 | -71.5 | 0 | 0 | 0 | 113 | L412 Y415 L416 H425 I430 F447 L448 E449 | L412-Y451 HydrophobicContact CD1-CD1 4.29Å; L412-Y451 HydrophobicContact CD1-CD2 4.18Å; L412-Y451 HydrophobicContact CD1-CG 3.98Å; Y415-Y451 WeakPolarHBondContact CE1-O 3.46Å; L416-Y451 HydrophobicContact CD2-CD1 4.37Å; H425-Y451 HydrophobicContact CB-CE1 4.4Å; H425-Y451 AromaticContact CE1-CD1 3.66Å; H425-Y451 AromaticContact CE1-CE1 3.86Å; H425-Y451 AromaticContact CG-CD1 3.98Å; H425-Y451 AromaticContact CG-CE1 3.91Å; H425-Y451 AromaticContact ND1-CD1 3.78Å; H425-Y451 AromaticContact ND1-CE1 3.55Å; H425-Y451 AromaticContact NE2-CD1 3.84Å; I430-Y451 WeakPolarHBondContact CA-OH 3.24Å; I430-Y451 HydrophobicContact CG1-CE1 3.81Å; I430-Y451 WeakPolarHBondContact CG2-OH 3.31Å; F447-Y451 HydrophobicContact CD1-CE2 4.27Å; F447-Y451 HydrophobicContact CD2-CE2 4.18Å; F447-Y451 HydrophobicContact CE1-CD2 4.38Å; F447-Y451 AromaticContact CE1-CE2 3.83Å; F447-Y451 HydrophobicContact CE1-CE2 3.83Å; F447-Y451 AromaticContact CE2-CE2 3.7Å; F447-Y451 HydrophobicContact CE2-CE2 3.7Å; F447-Y451 HydrophobicContact CG-CE2 4.45Å; F447-Y451 HydrophobicContact CZ-CD2 4.47Å; F447-Y451 AromaticContact CZ-CE2 3.52Å; F447-Y451 HydrophobicContact CZ-CE2 3.52Å; F447-Y451 WeakPolarHBondContact O-CD2 3.49Å; F447-Y451 VanDerWaalsContact O-CE2 3.3Å; F447-Y451 WeakPolarHBondContact O-CE2 3.47Å; L448-Y451 PolarHBondContact O-N 3.4Å; E449-Y451 PolarHBondContact O-N 2.67Å |
| 452 | L | 87.6 | Confident | 80.3 | Confident | 31 Ų | 31 | 54 Ų | 54 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -79.9 | -34.3 | -177.5 | -65.3 | -174.4 | 0 | 0 | 0 | 112 | R365 L368 V369 Y415 L448 E449 | R365-L452 HydrophobicContact CG-CD1 4.41Å; R365-L452 HydrophobicContact CG-CD2 3.87Å; L368-L452 HydrophobicContact CD2-CD2 4.17Å; V369-L452 HydrophobicContact CG2-CD1 4.32Å; Y415-L452 HydrophobicContact CD1-CD2 4.45Å; Y415-L452 HydrophobicContact CE1-CD2 3.76Å; Y415-L452 HydrophobicContact CE2-CD2 4.05Å; L448-L452 HydrophobicContact CB-CD1 3.86Å; L448-L452 HydrophobicContact CB-CG 4.18Å; L448-L452 HydrophobicContact CD1-CD1 4.48Å; L448-L452 WeakPolarHBondContact O-CB 3.43Å; L448-L452 WeakPolarHBondContact O-CG 3.36Å; L448-L452 PolarHBondContact O-N 2.93Å; E449-L452 PolarHBondContact O-N 3.42Å |
| 453 | T | 81.4 | Confident | 78.8 | Confident | 84 Ų | 84 | 58.4 Ų | 58.4 | 52% | 0.515 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -114 | 112.1 | 177.7 | -46.3 | 0 | 0 | 0 | 0 | 107 | E449 G455 | E449-T453 PolarHBondContact O-N 3.32Å; E449-T453 VanDerWaalsContact O-N 3.07Å; E449-T453 VanDerWaalsContact O-O 3.09Å; T453-G455 PolarHBondContact O-N 2.9Å |
| 454 | P | 70.9 | Confident | 77.3 | Confident | 51 Ų | 51 | 58.2 Ų | 58.2 | 33% | 0.331 | 32% | 0.315 | S | S | . | . | trans | -63.3 | 108.6 | 174.2 | 25.8 | -30.7 | 0 | 0 | 0 | 108 | P290 | P290-P454 HydrophobicContact CB-CB 3.79Å; P290-P454 HydrophobicContact CB-CG 3.74Å | ||
| 455 | G | 70.9 | Confident | 75.8 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 12% | 0.124 | 32% | 0.318 | C | S | . | . | trans | -76.7 | -174.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T453 | T453-G455 PolarHBondContact O-N 2.9Š| ||
| 456 | P | 74.5 | Confident | 74 | Confident | 50 Ų | 50 | 58 Ų | 58 | 33% | 0.325 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -51.6 | 146 | 179.9 | 6.4 | -17.3 | 0 | 0 | 0 | 112.7 | Y286 C287 L458 Q459 | Y286-P456 WeakPolarHBondContact O-CB 3.26Å; C287-P456 VanDerWaalsContact O-CB 3.3Å; C287-P456 WeakPolarHBondContact O-CB 3.43Å; P456-L458 PolarHBondContact O-N 2.86Å; P456-Q459 VanDerWaalsContact O-CB 3.25Å; P456-Q459 WeakPolarHBondContact O-CB 3.37Å; P456-Q459 PolarHBondContact O-N 3.17Å |
| 457 | T | 68.4 | Low | 72.2 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -48.7 | -32.7 | 173.5 | 20.7 | 0 | 0 | 0 | 0 | 114.1 | Y285 Y286 F289 I291 Q459 Y460 | Y285-T457 HydrophobicContact CE1-CG2 4.22Å; Y285-T457 PolarHBondContact O-OG1 2.94Å; Y286-T457 VanDerWaalsContact CA-OG1 3.3Å; Y286-T457 WeakPolarHBondContact CA-OG1 3.43Å; Y286-T457 PolarHBondContact O-OG1 3.2Å; F289-T457 PolarHBondContact O-N 3.3Å; I291-T457 HydrophobicContact CB-CG2 4.33Å; I291-T457 HydrophobicContact CG1-CG2 4.32Å; T457-Q459 VanDerWaalsContact C-N 3.27Å; T457-Q459 PolarHBondContact O-N 3.17Å; T457-Y460 PolarHBondContact O-N 3.12Å |
| 458 | L | 68 | Low | 70.9 | Confident | 76 Ų | 76 | 62.3 Ų | 62.3 | 40% | 0.398 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -68.5 | -20.2 | 178.2 | -68.9 | 171.6 | 0 | 0 | 0 | 114.6 | Y286 P456 Y460 W465 | Y286-L458 WeakPolarHBondContact O-CG 3.37Å; P456-L458 PolarHBondContact O-N 2.86Å; L458-Y460 PolarHBondContact O-N 3.25Å; L458-W465 HydrophobicContact CD2-CD2 3.87Å; L458-W465 HydrophobicContact CD2-CE3 3.92Å; L458-W465 HydrophobicContact CD2-CG 4.44Å; L458-W465 HydrophobicContact CD2-CH2 4.17Å; L458-W465 HydrophobicContact CD2-CZ2 4.11Å; L458-W465 HydrophobicContact CD2-CZ3 4.07Å |
| 459 | Q | 66.4 | Low | 70.3 | Confident | 100 Ų | 100 | 72 Ų | 72 | 47% | 0.467 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -69.2 | -19.8 | 178.8 | -166 | 178.4 | 13.1 | 0 | 0 | 112.2 | P456 T457 | P456-Q459 VanDerWaalsContact O-CB 3.25Å; P456-Q459 WeakPolarHBondContact O-CB 3.37Å; P456-Q459 PolarHBondContact O-N 3.17Å; T457-Q459 VanDerWaalsContact C-N 3.27Å; T457-Q459 PolarHBondContact O-N 3.17Å |
| 460 | Y | 66.8 | Low | 70.2 | Confident | 14 Ų | 14 | 68 Ų | 68 | 6% | 0.055 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -95.4 | 152.2 | -178.8 | -59.8 | -87 | 0 | 0 | 0 | 110.8 | I291 C424 H425 T457 L458 W465 | I291-Y460 HydrophobicContact CB-CD2 3.95Å; I291-Y460 HydrophobicContact CB-CE2 3.88Å; I291-Y460 HydrophobicContact CD1-CD1 4.2Å; I291-Y460 HydrophobicContact CD1-CD2 3.74Å; I291-Y460 HydrophobicContact CD1-CE2 4.38Å; I291-Y460 HydrophobicContact CD1-CG 3.63Å; I291-Y460 HydrophobicContact CG1-CD2 4.41Å; I291-Y460 HydrophobicContact CG2-CD2 4.26Å; I291-Y460 HydrophobicContact CG2-CE2 3.8Å; C424-Y460 HydrophobicContact CB-CD1 3.84Å; C424-Y460 HydrophobicContact CB-CE1 3.75Å; H425-Y460 AromaticContact CE1-CE1 3.59Å; H425-Y460 AromaticContact NE2-CE1 3.84Å; T457-Y460 PolarHBondContact O-N 3.12Å; L458-Y460 PolarHBondContact O-N 3.25Å; Y460-W465 VanDerWaalsContact O-CD1 3.31Å; Y460-W465 PolarHBondContact O-NE1 2.84Å |
| 461 | G | 63.4 | Low | 70.5 | Confident | 48 Ų | 48 | 70 Ų | 70 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | trans | -51.4 | 153.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D463 H464 | G461-D463 PolarHBondContact O-N 3.13Å; G461-H464 WeakPolarHBondContact O-CB 3.33Å; G461-H464 PolarHBondContact O-N 3.46Å | ||
| 462 | K | 60.1 | Low | 70.8 | Confident | 154 Ų | 154 | 72.5 Ų | 72.5 | 67% | 0.67 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -47.7 | -37 | -173.6 | -76.1 | -175.9 | 179.3 | 178.3 | 0 | 114.2 | H464 W465 L466 | K462-H464 PolarHBondContact O-N 3.14Å; K462-W465 PolarHBondContact O-N 2.63Å; K462-L466 HydrophobicContact CB-CD1 3.5Å; K462-L466 HydrophobicContact CD-CD1 4.16Å; K462-L466 HydrophobicContact CG-CD1 3.64Å; K462-L466 WeakPolarHBondContact O-CB 3.48Å; K462-L466 WeakPolarHBondContact O-CD1 3.44Å; K462-L466 PolarHBondContact O-N 3.15Å; K462-L466 VanDerWaalsContact O-N 3.13Å |
| 463 | D | 61.1 | Low | 71.2 | Confident | 155 Ų | 155 | 75 Ų | 75 | 83% | 0.829 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -65.4 | -20.1 | -177.5 | -56.2 | -30.7 | 0 | 0 | 0 | 113.6 | G461 | G461-D463 PolarHBondContact O-N 3.13Š|
| 464 | H | 60.8 | Low | 71.7 | Confident | 79 Ų | 79 | 72.4 Ų | 72.4 | 37% | 0.366 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -88.7 | -19.3 | -176.7 | -66 | -73.6 | 0 | 0 | 0 | 114.5 | I291 G461 K462 | I291-H464 HydrophobicContact CD1-CB 4.5Å; G461-H464 WeakPolarHBondContact O-CB 3.33Å; G461-H464 PolarHBondContact O-N 3.46Å; K462-H464 PolarHBondContact O-N 3.14Å |
| 465 | W | 61.8 | Low | 72.6 | Confident | 73 Ų | 73 | 79.7 Ų | 79.7 | 28% | 0.277 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | -28.5 | -175 | 65 | -94.5 | 0 | 0 | 0 | 115.2 | Y286 L458 Y460 K462 G467 | Y286-W465 HydrophobicContact CE1-CB 4.06Å; L458-W465 HydrophobicContact CD2-CD2 3.87Å; L458-W465 HydrophobicContact CD2-CE3 3.92Å; L458-W465 HydrophobicContact CD2-CG 4.44Å; L458-W465 HydrophobicContact CD2-CH2 4.17Å; L458-W465 HydrophobicContact CD2-CZ2 4.11Å; L458-W465 HydrophobicContact CD2-CZ3 4.07Å; Y460-W465 VanDerWaalsContact O-CD1 3.31Å; Y460-W465 PolarHBondContact O-NE1 2.84Å; K462-W465 PolarHBondContact O-N 2.63Å; W465-G467 VanDerWaalsContact C-N 3.3Å; W465-G467 PolarHBondContact O-N 2.96Å |
| 466 | L | 53.9 | Low | 73.4 | Confident | 108 Ų | 108 | 81.2 Ų | 81.2 | 57% | 0.565 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -19.6 | -178.6 | -88.4 | 125.3 | 0 | 0 | 0 | 114.6 | K462 R468 | K462-L466 HydrophobicContact CB-CD1 3.5Å; K462-L466 HydrophobicContact CD-CD1 4.16Å; K462-L466 HydrophobicContact CG-CD1 3.64Å; K462-L466 WeakPolarHBondContact O-CB 3.48Å; K462-L466 WeakPolarHBondContact O-CD1 3.44Å; K462-L466 PolarHBondContact O-N 3.15Å; K462-L466 VanDerWaalsContact O-N 3.13Å; L466-R468 PolarHBondContact O-N 3.18Å |
| 467 | G | 52.2 | Low | 74 | Confident | 68 Ų | 68 | 82.4 Ų | 82.4 | 70% | 0.701 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 1.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116 | W465 R469 | W465-G467 VanDerWaalsContact C-N 3.3Å; W465-G467 PolarHBondContact O-N 2.96Å; G467-R469 PolarHBondContact O-N 2.87Å |
| 468 | R | 65.5 | Low | 74.8 | Confident | 51 Ų | 51 | 84.2 Ų | 84.2 | 19% | 0.192 | 45% | 0.445 | C | S | . | . | trans | -99.9 | 92.2 | -165.4 | -73.4 | 179.8 | 166.8 | 169.1 | -1.2 | 112.3 | L466 W470 C492 D494 | L466-R468 PolarHBondContact O-N 3.18Å; R468-W470 VanDerWaalsContact O-CD1 3.26Å; R468-W470 PolarHBondContact O-N 3.44Å; R468-C492 VanDerWaalsContact CD-SG 3.54Å; R468-C492 VanDerWaalsContact CG-SG 3.51Å; R468-D494 IonicContact CZ-OD2 3.56Å; R468-D494 IonicContact NE-OD2 3.59Å; R468-D494 IonicContact NH2-OD2 2.8Å; R468-D494 PolarHBondContact NH2-OD2 2.89Å | ||
| 469 | R | 79.4 | Confident | 75.7 | Confident | 207 Ų | 207 | 85.6 Ų | 85.6 | 78% | 0.781 | 46% | 0.456 | S | S | * | . | trans | -65.7 | 121.5 | 167.3 | -177.8 | 176.1 | 173.5 | 129.6 | -2.6 | 109.4 | G467 | G467-R469 PolarHBondContact O-N 2.87Š| ||
| 470 | W | 88.6 | Confident | 76.5 | Confident | 43 Ų | 43 | 82 Ų | 82 | 16% | 0.163 | 44% | 0.442 | C | S | . | . | trans | -91.2 | 139.8 | 173.6 | -68.4 | 89.4 | 0 | 0 | 0 | 110.8 | I282 Y285 Y286 R468 L490 C492 F495 L497 | I282-W470 HydrophobicContact CD1-CB 3.75Å; I282-W470 HydrophobicContact CD1-CD2 4.12Å; I282-W470 HydrophobicContact CD1-CG 3.68Å; I282-W470 HydrophobicContact CG1-CD2 4.17Å; I282-W470 HydrophobicContact CG1-CG 4.21Å; Y285-W470 HydrophobicContact CD1-CH2 4.35Å; Y285-W470 AromaticContact CD1-CZ2 3.94Å; Y285-W470 HydrophobicContact CD1-CZ2 3.94Å; Y285-W470 HydrophobicContact CE1-CH2 4.37Å; Y285-W470 HydrophobicContact CE1-CZ2 4.03Å; Y286-W470 AromaticContact CZ-NE1 3.82Å; Y286-W470 PolarHBondContact OH-NE1 3.14Å; Y286-W470 VanDerWaalsContact OH-NE1 3.07Å; R468-W470 VanDerWaalsContact O-CD1 3.26Å; R468-W470 PolarHBondContact O-N 3.44Å; W470-L490 HydrophobicContact CE3-CB 3.61Å; W470-L490 HydrophobicContact CZ3-CB 3.78Å; W470-L490 WeakPolarHBondContact CZ3-O 3.5Å; W470-C492 HydrophobicContact CD2-CB 4.28Å; W470-C492 HydrophobicContact CE3-CB 3.95Å; W470-C492 HydrophobicContact CH2-CB 4.09Å; W470-C492 HydrophobicContact CZ2-CB 4.37Å; W470-C492 HydrophobicContact CZ3-CB 3.86Å; W470-F495 AromaticContact CH2-CE2 3.74Å; W470-F495 HydrophobicContact CH2-CE2 3.74Å; W470-F495 HydrophobicContact CH2-CZ 4.04Å; W470-F495 HydrophobicContact CZ2-CZ 4.47Å; W470-F495 HydrophobicContact CZ3-CE2 4.43Å; W470-L497 HydrophobicContact CH2-CD1 3.46Å; W470-L497 VanDerWaalsContact CH2-CD1 3.46Å; W470-L497 HydrophobicContact CH2-CG 3.72Å; W470-L497 HydrophobicContact CZ2-CD1 4.4Å; W470-L497 HydrophobicContact CZ3-CB 4.5Å; W470-L497 HydrophobicContact CZ3-CD1 3.72Å; W470-L497 HydrophobicContact CZ3-CG 3.76Å | ||
| 471 | T | 91.7 | Very high | 77.2 | Confident | 60 Ų | 60 | 83.3 Ų | 83.3 | 37% | 0.368 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 122.5 | 173.4 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | K491 | T471-K491 PolarHBondContact N-O 3.46Å; T471-K491 PolarHBondContact O-N 3.48Å; T471-K491 WeakPolarHBondContact OG1-CB 3.34Å; T471-K491 PolarHBondContact OG1-O 2.98Å |
| 472 | L | 94 | Very high | 78.2 | Confident | 55 Ų | 55 | 81.3 Ų | 81.3 | 29% | 0.288 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 122 | 179.6 | 172.4 | 54.5 | 0 | 0 | 0 | 109.3 | I274 Q275 A278 V478 F488 L490 | I274-L472 HydrophobicContact CG2-CD1 4.26Å; I274-L472 HydrophobicContact CG2-CD2 4.45Å; Q275-L472 HydrophobicContact CG-CD2 4.22Å; A278-L472 HydrophobicContact CB-CD1 4Å; A278-L472 HydrophobicContact CB-CD2 3.59Å; A278-L472 HydrophobicContact CB-CG 4.36Å; L472-V478 HydrophobicContact CD2-CG1 3.15Å; L472-V478 HydrophobicContact CG-CG1 3.68Å; L472-F488 HydrophobicContact CD1-CB 4.2Å; L472-F488 HydrophobicContact CD1-CD2 3.52Å; L472-F488 HydrophobicContact CD1-CE2 4.24Å; L472-F488 HydrophobicContact CD1-CG 4.19Å; L472-L490 HydrophobicContact CB-CD2 4.27Å; L472-L490 HydrophobicContact CD1-CD2 3.69Å; L472-L490 HydrophobicContact CG-CD2 4.48Å |
| 473 | I | 94.4 | Very high | 79.6 | Confident | 85 Ų | 85 | 80.3 Ų | 80.3 | 44% | 0.436 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 121.1 | 179.9 | -56.3 | 171.3 | 0 | 0 | 0 | 107 | L489 K491 | I473-L489 HydrophobicContact CB-CB 4.28Å; I473-L489 PolarHBondContact N-O 3.03Å; I473-L489 PolarHBondContact O-N 3.35Å; I473-K491 HydrophobicContact CD1-CB 3.98Å; I473-K491 HydrophobicContact CD1-CD 4.01Å |
| 474 | S | 92.3 | Very high | 80.9 | Confident | 29 Ų | 29 | 77.9 Ų | 77.9 | 20% | 0.203 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 138.9 | -179.3 | 171.3 | 0 | 0 | 0 | 0 | 108.6 | A476 | S474-A476 WeakPolarHBondContact CB-O 3.39Å; S474-A476 PolarHBondContact OG-N 2.89Å; S474-A476 PolarHBondContact OG-O 3.44Å |
| 475 | E | 90.1 | Very high | 82.3 | Confident | 204 Ų | 204 | 76.5 Ų | 76.5 | 95% | 0.953 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -72.2 | -36.3 | 171.8 | -65.1 | -177.2 | 171.9 | 0 | 0 | 111.1 | ||
| 476 | A | 87.4 | Confident | 83.7 | Confident | 43 Ų | 43 | 73.8 Ų | 73.8 | 36% | 0.355 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -78.3 | 153.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I274 S474 V478 | I274-A476 HydrophobicContact CD1-CB 3.8Å; S474-A476 WeakPolarHBondContact CB-O 3.39Å; S474-A476 PolarHBondContact OG-N 2.89Å; S474-A476 PolarHBondContact OG-O 3.44Å; A476-V478 PolarHBondContact O-N 3.33Å |
| 477 | S | 87.6 | Confident | 85.6 | Confident | 75 Ų | 75 | 73.3 Ų | 73.3 | 52% | 0.524 | 42% | 0.417 | S | S | . | . | trans | -58.5 | 129.4 | 177.6 | 64.8 | 0 | 0 | 0 | 0 | 110.6 | T479 S480 | S477-T479 PolarHBondContact O-N 3.39Å; S477-T479 VanDerWaalsContact O-N 3.16Å; S477-S480 WeakPolarHBondContact O-CB 3.44Å; S477-S480 PolarHBondContact O-N 2.83Å; S477-S480 PolarHBondContact O-OG 2.93Å; S477-S480 VanDerWaalsContact OG-CB 3.29Å; S477-S480 WeakPolarHBondContact OG-CB 3.44Å; S477-S480 PolarHBondContact OG-OG 2.97Å | ||
| 478 | V | 86.3 | Confident | 87.7 | Confident | 42 Ų | 42 | 70.1 Ų | 70.1 | 26% | 0.255 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -23.1 | -169.5 | -145.7 | 0 | 0 | 0 | 0 | 112.5 | I274 Q275 L472 A476 | I274-V478 HydrophobicContact CB-CG1 4.32Å; I274-V478 HydrophobicContact CG2-CG1 4.1Å; I274-V478 PolarHBondContact N-O 3.02Å; Q275-V478 HydrophobicContact CB-CG1 4.38Å; Q275-V478 HydrophobicContact CG-CB 3.74Å; Q275-V478 HydrophobicContact CG-CG1 3.3Å; Q275-V478 WeakPolarHBondContact CG-O 3.27Å; Q275-V478 PolarHBondContact N-O 3.04Å; L472-V478 HydrophobicContact CD2-CG1 3.15Å; L472-V478 HydrophobicContact CG-CG1 3.68Å; A476-V478 PolarHBondContact O-N 3.33Å |
| 479 | T | 85.7 | Confident | 89.1 | Confident | 104 Ų | 104 | 70.6 Ų | 70.6 | 64% | 0.638 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -15.8 | 174.1 | 52.1 | 0 | 0 | 0 | 0 | 113.3 | S477 | S477-T479 PolarHBondContact O-N 3.39Å; S477-T479 VanDerWaalsContact O-N 3.16Å |
| 480 | S | 82.8 | Confident | 89.7 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 18% | 0.175 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -68 | 152 | 176.5 | 68 | 0 | 0 | 0 | 0 | 111.9 | S273 I274 S477 | S273-S480 CarbonylContact C-O 3.58Å; S273-S480 VanDerWaalsContact CA-O 3.23Å; S273-S480 WeakPolarHBondContact CA-O 3.21Å; I274-S480 PolarHBondContact N-O 3.01Å; S477-S480 WeakPolarHBondContact O-CB 3.44Å; S477-S480 PolarHBondContact O-N 2.83Å; S477-S480 PolarHBondContact O-OG 2.93Å; S477-S480 VanDerWaalsContact OG-CB 3.29Å; S477-S480 WeakPolarHBondContact OG-CB 3.44Å; S477-S480 PolarHBondContact OG-OG 2.97Å |
| 481 | G | 82.8 | Confident | 89.8 | Confident | 42 Ų | 42 | 64.1 Ų | 64.1 | 43% | 0.433 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -63.3 | 147.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K483 | G481-K483 PolarHBondContact O-N 2.87Å |
| 482 | L | 84.8 | Confident | 89.6 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 133 | 172.6 | -164 | 66.2 | 0 | 0 | 0 | 109.7 | Y252 V254 L272 F488 | Y252-L482 HydrophobicContact CD1-CD2 4.38Å; Y252-L482 HydrophobicContact CD2-CB 4.11Å; Y252-L482 HydrophobicContact CD2-CD2 3.78Å; Y252-L482 HydrophobicContact CD2-CG 4.22Å; Y252-L482 HydrophobicContact CE2-CB 4.06Å; Y252-L482 WeakPolarHBondContact CE2-O 3.42Å; Y252-L482 HydrophobicContact CG-CD2 3.69Å; Y252-L482 HydrophobicContact CG-CG 4.22Å; Y252-L482 PolarHBondContact OH-O 2.96Å; V254-L482 HydrophobicContact CG2-CD2 3.92Å; L272-L482 PolarHBondContact O-N 3.27Å; L482-F488 HydrophobicContact CD1-CE1 4.01Å |
| 483 | K | 88 | Confident | 89 | Confident | 133 Ų | 133 | 64.6 Ų | 64.6 | 58% | 0.578 | 37% | 0.373 | S | S | * | . | trans | -112.7 | 168 | 176.6 | -59.7 | 179.7 | -178.7 | 177.8 | 0 | 110.2 | G481 S486 S501 | G481-K483 PolarHBondContact O-N 2.87Å; K483-S486 WeakPolarHBondContact CA-OG 3.22Å; K483-S486 WeakPolarHBondContact CB-OG 3.39Å; K483-S486 PolarHBondContact N-OG 3.45Å; K483-S486 PolarHBondContact O-N 2.85Å; K483-S486 PolarHBondContact O-OG 3.37Å; K483-S501 PolarHBondContact O-OG 3.43Å | ||
| 484 | D | 89.3 | Confident | 88.3 | Confident | 104 Ų | 104 | 64.9 Ų | 64.9 | 56% | 0.556 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 136.9 | 170.1 | -169.4 | 40.5 | 0 | 0 | 0 | 110.5 | S486 R502 K503 | D484-S486 PolarHBondContact O-N 3.1Å; D484-R502 WeakPolarHBondContact OD1-CA 3.3Å; D484-K503 HydrophobicContact CB-CB 4.05Å; D484-K503 PolarHBondContact OD1-N 3.35Å |
| 485 | G | 89.6 | Confident | 88 | Confident | 49 Ų | 49 | 64 Ų | 64 | 51% | 0.505 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 14.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S501 | G485-S501 WeakPolarHBondContact CA-O 3.23Å; G485-S501 PolarHBondContact N-O 2.95Å |
| 486 | S | 91.1 | Very high | 88.1 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 12% | 0.119 | 33% | 0.332 | C | S | . | . | trans | -69 | 137.8 | 177.4 | -53.2 | 0 | 0 | 0 | 0 | 110.3 | K483 D484 S501 | K483-S486 WeakPolarHBondContact CA-OG 3.22Å; K483-S486 WeakPolarHBondContact CB-OG 3.39Å; K483-S486 PolarHBondContact N-OG 3.45Å; K483-S486 PolarHBondContact O-N 2.85Å; K483-S486 PolarHBondContact O-OG 3.37Å; D484-S486 PolarHBondContact O-N 3.1Å; S486-S501 WeakPolarHBondContact CA-OG 3.22Å; S486-S501 VanDerWaalsContact CB-OG 3.23Å; S486-S501 WeakPolarHBondContact CB-OG 3.33Å; S486-S501 PolarHBondContact N-OG 3.28Å; S486-S501 PolarHBondContact O-N 3.35Å; S486-S501 PolarHBondContact O-OG 2.95Å | ||
| 487 | I | 94.3 | Very high | 88.4 | Confident | 98 Ų | 98 | 53.5 Ų | 53.5 | 50% | 0.503 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 128.3 | 177 | -52.3 | -179.3 | 0 | 0 | 0 | 108.1 | V498 V499 T500 | I487-V498 HydrophobicContact CG2-CG1 4.23Å; I487-V499 WeakPolarHBondContact CA-O 3.43Å; I487-T500 HydrophobicContact CD1-CG2 4.4Å; I487-T500 HydrophobicContact CG1-CG2 4.12Å; I487-T500 HydrophobicContact CG2-CG2 4.29Å |
| 488 | F | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 155.9 | 171.8 | 64.6 | -90.6 | 0 | 0 | 0 | 110.5 | I274 A277 A278 L472 L482 L490 V499 | I274-F488 HydrophobicContact CG2-CB 4.11Å; I274-F488 HydrophobicContact CG2-CD1 3.89Å; I274-F488 HydrophobicContact CG2-CD2 4.31Å; I274-F488 HydrophobicContact CG2-CE1 4.34Å; I274-F488 HydrophobicContact CG2-CG 3.86Å; A277-F488 HydrophobicContact CB-CZ 4.27Å; A278-F488 HydrophobicContact CB-CE2 3.97Å; L472-F488 HydrophobicContact CD1-CB 4.2Å; L472-F488 HydrophobicContact CD1-CD2 3.52Å; L472-F488 HydrophobicContact CD1-CE2 4.24Å; L472-F488 HydrophobicContact CD1-CG 4.19Å; L482-F488 HydrophobicContact CD1-CE1 4.01Å; F488-L490 HydrophobicContact CD2-CD2 4.24Å; F488-L490 HydrophobicContact CD2-CG 4.34Å; F488-L490 HydrophobicContact CE2-CD1 4.37Å; F488-L490 HydrophobicContact CE2-CD2 4.15Å; F488-L490 HydrophobicContact CE2-CG 4.19Å; F488-V499 HydrophobicContact CD1-CB 4.15Å; F488-V499 HydrophobicContact CD1-CG1 4.25Å; F488-V499 HydrophobicContact CD2-CB 3.94Å; F488-V499 HydrophobicContact CD2-CG2 4.12Å; F488-V499 HydrophobicContact CE1-CB 3.87Å; F488-V499 HydrophobicContact CE1-CG1 3.54Å; F488-V499 HydrophobicContact CE2-CB 3.65Å; F488-V499 HydrophobicContact CE2-CG1 3.89Å; F488-V499 HydrophobicContact CE2-CG2 3.67Å; F488-V499 HydrophobicContact CG-CB 4.2Å; F488-V499 HydrophobicContact CZ-CB 3.64Å; F488-V499 HydrophobicContact CZ-CG1 3.34Å; F488-V499 HydrophobicContact CZ-CG2 4.03Å; F488-V499 PolarHBondContact N-O 3.38Å; F488-V499 WeakPolarHBondContact O-CB 3.38Å; F488-V499 PolarHBondContact O-N 3.42Å |
| 489 | L | 95 | Very high | 89.2 | Confident | 61 Ų | 61 | 49.9 Ų | 49.9 | 32% | 0.319 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136.7 | -177.4 | -69.4 | 87.4 | 0 | 0 | 0 | 110.4 | I473 L497 V498 | I473-L489 HydrophobicContact CB-CB 4.28Å; I473-L489 PolarHBondContact N-O 3.03Å; I473-L489 PolarHBondContact O-N 3.35Å; L489-L497 CarbonylContact C-O 3.54Å; L489-L497 WeakPolarHBondContact CA-O 3.3Å; L489-V498 HydrophobicContact CD2-CG2 4.23Å; L489-V498 HydrophobicContact CG-CG2 4.34Å |
| 490 | L | 93.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 104 | 169.2 | -54.7 | 170.5 | 0 | 0 | 0 | 107 | A278 V281 I282 W470 L472 F488 S496 L497 V499 | A278-L490 HydrophobicContact CB-CD2 3.54Å; V281-L490 HydrophobicContact CB-CD1 4.07Å; V281-L490 HydrophobicContact CG1-CD1 3.62Å; I282-L490 HydrophobicContact CD1-CD1 4.49Å; I282-L490 HydrophobicContact CD1-CD2 4.5Å; I282-L490 HydrophobicContact CG1-CD1 3.95Å; W470-L490 HydrophobicContact CE3-CB 3.61Å; W470-L490 HydrophobicContact CZ3-CB 3.78Å; W470-L490 WeakPolarHBondContact CZ3-O 3.5Å; L472-L490 HydrophobicContact CB-CD2 4.27Å; L472-L490 HydrophobicContact CD1-CD2 3.69Å; L472-L490 HydrophobicContact CG-CD2 4.48Å; F488-L490 HydrophobicContact CD2-CD2 4.24Å; F488-L490 HydrophobicContact CD2-CG 4.34Å; F488-L490 HydrophobicContact CE2-CD1 4.37Å; F488-L490 HydrophobicContact CE2-CD2 4.15Å; F488-L490 HydrophobicContact CE2-CG 4.19Å; L490-S496 CarbonylContact O-C 3.5Å; L490-S496 VanDerWaalsContact O-CA 3.24Å; L490-S496 WeakPolarHBondContact O-CA 3.22Å; L490-L497 HydrophobicContact CB-CB 4.18Å; L490-L497 HydrophobicContact CD1-CD1 4.34Å; L490-L497 PolarHBondContact N-O 3.04Å; L490-L497 PolarHBondContact O-N 3.14Å; L490-V499 HydrophobicContact CD1-CG2 4.08Å; L490-V499 HydrophobicContact CG-CG2 4.35Å |
| 491 | K | 91.1 | Very high | 90.1 | Very high | 114 Ų | 114 | 46 Ų | 46 | 50% | 0.496 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 122.3 | -177.8 | 178.2 | 178.9 | -176.5 | -179.4 | 0 | 110.2 | T471 I473 | T471-K491 PolarHBondContact N-O 3.46Å; T471-K491 PolarHBondContact O-N 3.48Å; T471-K491 WeakPolarHBondContact OG1-CB 3.34Å; T471-K491 PolarHBondContact OG1-O 2.98Å; I473-K491 HydrophobicContact CD1-CB 3.98Å; I473-K491 HydrophobicContact CD1-CD 4.01Å |
| 492 | C | 85.7 | Confident | 90.6 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.034 | 28% | 0.278 | C | S | . | . | trans | -102.1 | 170.6 | 167.1 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | R468 W470 D494 F495 | R468-C492 VanDerWaalsContact CD-SG 3.54Å; R468-C492 VanDerWaalsContact CG-SG 3.51Å; W470-C492 HydrophobicContact CD2-CB 4.28Å; W470-C492 HydrophobicContact CE3-CB 3.95Å; W470-C492 HydrophobicContact CH2-CB 4.09Å; W470-C492 HydrophobicContact CZ2-CB 4.37Å; W470-C492 HydrophobicContact CZ3-CB 3.86Å; C492-D494 VanDerWaalsContact C-N 3.3Å; C492-D494 PolarHBondContact O-N 3.16Å; C492-F495 CarbonylContact C-O 3.59Å; C492-F495 WeakPolarHBondContact CA-O 3.11Å; C492-F495 VanDerWaalsContact CB-O 3.31Å; C492-F495 WeakPolarHBondContact CB-O 3.41Å; C492-F495 PolarHBondContact N-O 2.95Å; C492-F495 VanDerWaalsContact O-O 3.1Å | ||
| 493 | V | 81.7 | Confident | 90.8 | Very high | 119 Ų | 119 | 58.9 Ų | 58.9 | 72% | 0.721 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -56.9 | -43.2 | -179 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 494 | D | 79.9 | Confident | 90.6 | Very high | 91 Ų | 91 | 55.2 Ų | 55.2 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -95.4 | -26.8 | -171.5 | -55.6 | -37.3 | 0 | 0 | 0 | 114 | R468 C492 | R468-D494 IonicContact CZ-OD2 3.56Å; R468-D494 IonicContact NE-OD2 3.59Å; R468-D494 IonicContact NH2-OD2 2.8Å; R468-D494 PolarHBondContact NH2-OD2 2.89Å; C492-D494 VanDerWaalsContact C-N 3.3Å; C492-D494 PolarHBondContact O-N 3.16Å |
| 495 | F | 86.8 | Confident | 90.3 | Very high | 10 Ų | 10 | 55 Ų | 55 | 4% | 0.044 | 29% | 0.294 | C | S | . | . | trans | -158.3 | 169.9 | -174.1 | 64.3 | -88.9 | 0 | 0 | 0 | 111.2 | R258 T260 Y285 H292 W470 C492 L497 | R258-F495 HydrophobicContact CG-CD2 3.74Å; R258-F495 HydrophobicContact CG-CE2 4.21Å; R258-F495 HydrophobicContact CG-CG 4.36Å; T260-F495 HydrophobicContact CG2-CB 3.45Å; T260-F495 VanDerWaalsContact CG2-CB 3.45Å; Y285-F495 HydrophobicContact CE1-CZ 4.15Å; Y285-F495 HydrophobicContact CE2-CE2 4.19Å; Y285-F495 HydrophobicContact CE2-CZ 4.4Å; Y285-F495 AromaticContact CZ-CE2 3.88Å; Y285-F495 AromaticContact CZ-CZ 3.65Å; Y285-F495 WeakPolarHBondContact OH-CZ 3.5Å; H292-F495 HydrophobicContact CB-CD1 4.12Å; H292-F495 HydrophobicContact CB-CE1 3.84Å; H292-F495 HydrophobicContact CB-CZ 4.42Å; H292-F495 AromaticContact CD2-CD1 3.46Å; H292-F495 VanDerWaalsContact CD2-CD1 3.46Å; H292-F495 WeakPolarHBondContact CD2-CD1 3.28Å; H292-F495 AromaticContact CD2-CE1 3.99Å; H292-F495 AromaticContact CG-CD1 3.7Å; H292-F495 AromaticContact CG-CE1 3.96Å; W470-F495 AromaticContact CH2-CE2 3.74Å; W470-F495 HydrophobicContact CH2-CE2 3.74Å; W470-F495 HydrophobicContact CH2-CZ 4.04Å; W470-F495 HydrophobicContact CZ2-CZ 4.47Å; W470-F495 HydrophobicContact CZ3-CE2 4.43Å; C492-F495 CarbonylContact C-O 3.59Å; C492-F495 WeakPolarHBondContact CA-O 3.11Å; C492-F495 VanDerWaalsContact CB-O 3.31Å; C492-F495 WeakPolarHBondContact CB-O 3.41Å; C492-F495 PolarHBondContact N-O 2.95Å; C492-F495 VanDerWaalsContact O-O 3.1Å; F495-L497 HydrophobicContact CD2-CD2 4.31Å; F495-L497 HydrophobicContact CE2-CD2 3.95Å; F495-L497 HydrophobicContact CE2-CG 4.27Å | ||
| 496 | S | 91.5 | Very high | 89.4 | Confident | 27 Ų | 27 | 59 Ų | 59 | 19% | 0.189 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 151.1 | 171.2 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | A259 L490 | A259-S496 WeakPolarHBondContact CB-O 3.37Å; A259-S496 VanDerWaalsContact CB-OG 3.31Å; A259-S496 WeakPolarHBondContact CB-OG 3.33Å; A259-S496 PolarHBondContact N-O 3.31Å; L490-S496 CarbonylContact O-C 3.5Å; L490-S496 VanDerWaalsContact O-CA 3.24Å; L490-S496 WeakPolarHBondContact O-CA 3.22Å |
| 497 | L | 93.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.2 | 164 | -55.7 | 174.8 | 0 | 0 | 0 | 107.9 | V256 T257 R258 Y285 W470 L489 L490 F495 | V256-L497 HydrophobicContact CG1-CB 4.14Å; V256-L497 HydrophobicContact CG1-CD1 4.24Å; V256-L497 HydrophobicContact CG1-CD2 4.44Å; T257-L497 CarbonylContact O-C 3.58Å; T257-L497 WeakPolarHBondContact O-CA 3.17Å; R258-L497 HydrophobicContact CB-CD2 3.83Å; R258-L497 HydrophobicContact CG-CD2 4.11Å; Y285-L497 HydrophobicContact CD2-CD1 3.59Å; Y285-L497 HydrophobicContact CD2-CD2 3.82Å; Y285-L497 HydrophobicContact CD2-CG 4.31Å; Y285-L497 HydrophobicContact CE2-CD1 4.24Å; Y285-L497 HydrophobicContact CE2-CD2 3.78Å; Y285-L497 HydrophobicContact CG-CD1 3.82Å; W470-L497 HydrophobicContact CH2-CD1 3.46Å; W470-L497 VanDerWaalsContact CH2-CD1 3.46Å; W470-L497 HydrophobicContact CH2-CG 3.72Å; W470-L497 HydrophobicContact CZ2-CD1 4.4Å; W470-L497 HydrophobicContact CZ3-CB 4.5Å; W470-L497 HydrophobicContact CZ3-CD1 3.72Å; W470-L497 HydrophobicContact CZ3-CG 3.76Å; L489-L497 CarbonylContact C-O 3.54Å; L489-L497 WeakPolarHBondContact CA-O 3.3Å; L490-L497 HydrophobicContact CB-CB 4.18Å; L490-L497 HydrophobicContact CD1-CD1 4.34Å; L490-L497 PolarHBondContact N-O 3.04Å; L490-L497 PolarHBondContact O-N 3.14Å; F495-L497 HydrophobicContact CD2-CD2 4.31Å; F495-L497 HydrophobicContact CE2-CD2 3.95Å; F495-L497 HydrophobicContact CE2-CG 4.27Å |
| 498 | V | 95.4 | Very high | 87.2 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 26% | 0.255 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.1 | 171.6 | -178.1 | 0 | 0 | 0 | 0 | 107.1 | T257 A259 I487 L489 T500 | T257-V498 PolarHBondContact N-O 3.14Å; T257-V498 PolarHBondContact O-N 3Å; A259-V498 HydrophobicContact CB-CG2 4.35Å; I487-V498 HydrophobicContact CG2-CG1 4.23Å; L489-V498 HydrophobicContact CD2-CG2 4.23Å; L489-V498 HydrophobicContact CG-CG2 4.34Å; V498-T500 HydrophobicContact CG1-CG2 4.4Å |
| 499 | V | 95.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.8 | -176.9 | -173 | 0 | 0 | 0 | 0 | 108.5 | V254 C255 V256 V281 I487 F488 L490 | V254-V499 HydrophobicContact CG1-CG1 3.08Å; C255-V499 WeakPolarHBondContact O-CA 3.27Å; V256-V499 HydrophobicContact CG1-CG2 4.37Å; V256-V499 HydrophobicContact CG2-CG1 4.22Å; V256-V499 HydrophobicContact CG2-CG2 4.29Å; V281-V499 HydrophobicContact CG1-CG2 4.04Å; V281-V499 HydrophobicContact CG2-CG1 4.33Å; I487-V499 WeakPolarHBondContact CA-O 3.43Å; F488-V499 HydrophobicContact CD1-CB 4.15Å; F488-V499 HydrophobicContact CD1-CG1 4.25Å; F488-V499 HydrophobicContact CD2-CB 3.94Å; F488-V499 HydrophobicContact CD2-CG2 4.12Å; F488-V499 HydrophobicContact CE1-CB 3.87Å; F488-V499 HydrophobicContact CE1-CG1 3.54Å; F488-V499 HydrophobicContact CE2-CB 3.65Å; F488-V499 HydrophobicContact CE2-CG1 3.89Å; F488-V499 HydrophobicContact CE2-CG2 3.67Å; F488-V499 HydrophobicContact CG-CB 4.2Å; F488-V499 HydrophobicContact CZ-CB 3.64Å; F488-V499 HydrophobicContact CZ-CG1 3.34Å; F488-V499 HydrophobicContact CZ-CG2 4.03Å; F488-V499 PolarHBondContact N-O 3.38Å; F488-V499 WeakPolarHBondContact O-CB 3.38Å; F488-V499 PolarHBondContact O-N 3.42Å; L490-V499 HydrophobicContact CD1-CG2 4.08Å; L490-V499 HydrophobicContact CG-CG2 4.35Å |
| 500 | T | 94.8 | Very high | 84.6 | Confident | 44 Ų | 44 | 71.3 Ų | 71.3 | 27% | 0.27 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.9 | 178.5 | 59.5 | 0 | 0 | 0 | 0 | 109.4 | V254 C255 I487 V498 | V254-T500 CarbonylContact C-O 3.6Å; V254-T500 WeakPolarHBondContact CA-O 3.39Å; C255-T500 WeakPolarHBondContact CB-OG1 3.3Å; C255-T500 PolarHBondContact N-O 3.2Å; C255-T500 PolarHBondContact O-N 3.41Å; C255-T500 PolarHBondContact O-OG1 3.03Å; I487-T500 HydrophobicContact CD1-CG2 4.4Å; I487-T500 HydrophobicContact CG1-CG2 4.12Å; I487-T500 HydrophobicContact CG2-CG2 4.29Å; V498-T500 HydrophobicContact CG1-CG2 4.4Å |
| 501 | S | 93.6 | Very high | 83.5 | Confident | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.014 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 140.4 | 178.4 | 62.2 | 0 | 0 | 0 | 0 | 111.9 | K483 G485 S486 | K483-S501 PolarHBondContact O-OG 3.43Å; G485-S501 WeakPolarHBondContact CA-O 3.23Å; G485-S501 PolarHBondContact N-O 2.95Å; S486-S501 WeakPolarHBondContact CA-OG 3.22Å; S486-S501 VanDerWaalsContact CB-OG 3.23Å; S486-S501 WeakPolarHBondContact CB-OG 3.33Å; S486-S501 PolarHBondContact N-OG 3.28Å; S486-S501 PolarHBondContact O-N 3.35Å; S486-S501 PolarHBondContact O-OG 2.95Å |
| 502 | R | 92.1 | Very high | 82.9 | Confident | 187 Ų | 187 | 78.7 Ų | 78.7 | 71% | 0.706 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 137.8 | 167.8 | -67.2 | -160.1 | 179.3 | -167 | 1.3 | 110.1 | Y252 S253 D484 | Y252-R502 CarbonylContact C-O 3.47Å; Y252-R502 VanDerWaalsContact CA-O 3.22Å; Y252-R502 WeakPolarHBondContact CA-O 3.3Å; S253-R502 PolarHBondContact N-O 3.01Å; S253-R502 PolarHBondContact O-N 2.87Å; D484-R502 WeakPolarHBondContact OD1-CA 3.3Å |
| 503 | K | 88.8 | Confident | 82.5 | Confident | 132 Ų | 132 | 87 Ų | 87 | 57% | 0.574 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 133.4 | 174.5 | -171 | 178.3 | 177.4 | -174.7 | 0 | 109.3 | Y252 D484 | Y252-K503 HydrophobicContact CD1-CB 4.24Å; Y252-K503 HydrophobicContact CE1-CB 4.16Å; Y252-K503 HydrophobicContact CE1-CG 4.35Å; D484-K503 HydrophobicContact CB-CB 4.05Å; D484-K503 PolarHBondContact OD1-N 3.35Å |
| 504 | I | 85.1 | Confident | 82.1 | Confident | 56 Ų | 56 | 86 Ų | 86 | 29% | 0.287 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 128.7 | 174.3 | -62 | 176.2 | 0 | 0 | 0 | 107.7 | P250 C251 | P250-I504 HydrophobicContact CB-CD1 3.85Å; P250-I504 HydrophobicContact CG-CD1 4.36Å; C251-I504 PolarHBondContact O-N 2.91Å |
| 505 | P | 82.1 | Confident | 81.9 | Confident | 101 Ų | 101 | 84.3 Ų | 84.3 | 66% | 0.656 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 158 | -179.4 | 27.3 | -34.7 | 0 | 0 | 0 | 111.3 | V507 | P505-V507 PolarHBondContact O-N 3.27Š|
| 506 | Y | 71.3 | Confident | 81.3 | Confident | 131 Ų | 131 | 87.8 Ų | 87.8 | 51% | 0.514 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 124 | 169.5 | -179.8 | -96.5 | 0 | 0 | 0 | 108.8 | A177 R178 G180 Q508 | A177-Y506 WeakPolarHBondContact O-CE2 3.35Å; R178-Y506 WeakPolarHBondContact O-CD2 3.48Å; R178-Y506 WeakPolarHBondContact O-CE2 3.47Å; G180-Y506 WeakPolarHBondContact CA-OH 3.34Å; G180-Y506 PolarHBondContact N-OH 3.44Å; Y506-Q508 HydrophobicContact CE1-CB 4.08Å |
| 507 | V | 71.4 | Confident | 80.4 | Confident | 70 Ų | 70 | 92 Ų | 92 | 42% | 0.424 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 118.9 | 179.2 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | P505 M509 | P505-V507 PolarHBondContact O-N 3.27Å; V507-M509 HydrophobicContact CG1-CG 3.95Å |
| 508 | Q | 67.6 | Low | 79.2 | Confident | 140 Ų | 140 | 95.6 Ų | 95.6 | 65% | 0.654 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 121 | 169.1 | -171.6 | 172.3 | 0.9 | 0 | 0 | 107.9 | Y506 | Y506-Q508 HydrophobicContact CE1-CB 4.08Å |
| 509 | M | 63.9 | Low | 78 | Confident | 107 Ų | 107 | 99.4 Ų | 99.4 | 53% | 0.527 | 49% | 0.493 | S | S | . | . | trans | -109.9 | 125.4 | 176.9 | -70.4 | -167.4 | -88.2 | 0 | 0 | 109.5 | L181 V507 | L181-M509 HydrophobicContact CD2-CE 3.74Å; V507-M509 HydrophobicContact CG1-CG 3.95Å | ||
| 510 | S | 71.4 | Confident | 76.9 | Confident | 119 Ų | 119 | 107 Ų | 107 | 83% | 0.832 | 53% | 0.526 | S | S | * | . | trans | -95.8 | 133.8 | 167.6 | 53 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 511 | E | 70.9 | Confident | 75.8 | Confident | 108 Ų | 108 | 113.3 Ų | 113.3 | 51% | 0.505 | 55% | 0.55 | S | S | . | . | trans | -98.4 | 124.6 | 172.1 | -73.8 | 176.1 | -156.4 | 0 | 0 | 108.4 | P182 R183 | P182-E511 HydrophobicContact CG-CB 4.22Å; P182-E511 HydrophobicContact CG-CG 3.77Å; R183-E511 IonicContact CZ-OE2 2.66Å; R183-E511 VanDerWaalsContact CZ-OE2 3.3Å; R183-E511 IonicContact NE-OE1 3.3Å; R183-E511 IonicContact NE-OE2 3.18Å; R183-E511 PolarHBondContact NE-OE2 2.94Å; R183-E511 IonicContact NH2-OE2 2.85Å; R183-E511 PolarHBondContact NH2-OE2 3.38Å | ||
| 512 | E | 77.6 | Confident | 74.8 | Confident | 162 Ų | 162 | 119 Ų | 119 | 76% | 0.757 | 59% | 0.585 | S | S | * | * | trans | -111 | 119.4 | 168.5 | -173.9 | 173.7 | -172.2 | 0 | 0 | 108.4 | I514 | E512-I514 PolarHBondContact O-N 3.38Š| ||
| 513 | Y | 76.9 | Confident | 73.3 | Confident | 180 Ų | 180 | 116.5 Ų | 116.5 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | trans | -85.3 | 112 | 174.8 | 179.6 | -100.7 | 0 | 0 | 0 | 109.5 | D515 P516 | Y513-D515 HydrophobicContact CE1-CB 4.2Å; Y513-P516 WeakPolarHBondContact OH-CD 3.41Å | ||
| 514 | I | 75 | Confident | 71.9 | Confident | 97 Ų | 97 | 120.8 Ų | 120.8 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | trans | -90.1 | 112.9 | 172.3 | -57.2 | 174.2 | 0 | 0 | 0 | 107.6 | E512 S518 H519 | E512-I514 PolarHBondContact O-N 3.38Å; I514-S518 WeakPolarHBondContact CG2-OG 3.22Å; I514-H519 WeakPolarHBondContact CG2-NE2 3.34Å | ||
| 515 | D | 74.7 | Confident | 70.7 | Confident | 56 Ų | 56 | 125 Ų | 125 | 30% | 0.299 | 62% | 0.619 | S | S | . | * | trans | -60.6 | 129.1 | 177.4 | -178.9 | -10.4 | 0 | 0 | 0 | 109.5 | Y513 K517 S518 | Y513-D515 HydrophobicContact CE1-CB 4.2Å; D515-K517 PolarHBondContact O-N 2.89Å; D515-K517 WeakPolarHBondContact OD1-CB 3.35Å; D515-K517 PolarHBondContact OD1-N 3.44Å; D515-S518 VanDerWaalsContact O-CB 3.25Å; D515-S518 WeakPolarHBondContact O-CB 3.44Å; D515-S518 PolarHBondContact O-N 2.81Å; D515-S518 PolarHBondContact O-OG 2.95Å | ||
| 516 | P | 74.8 | Confident | 69.5 | Low | 82 Ų | 82 | 128 Ų | 128 | 53% | 0.532 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.8 | -20.3 | 173.3 | 22.1 | -34.2 | 0 | 0 | 0 | 114.1 | Y513 | Y513-P516 WeakPolarHBondContact OH-CD 3.41Š|
| 517 | K | 71.6 | Confident | 68.9 | Low | 115 Ų | 115 | 127 Ų | 127 | 50% | 0.5 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.2 | -23 | 171 | -64.1 | -179.8 | -176 | 174.3 | 0 | 113.6 | E92 D515 H519 K520 | E92-K517 IonicContact OE1-NZ 3.4Å; E92-K517 PolarHBondContact OE1-NZ 2.98Å; D515-K517 PolarHBondContact O-N 2.89Å; D515-K517 WeakPolarHBondContact OD1-CB 3.35Å; D515-K517 PolarHBondContact OD1-N 3.44Å; K517-H519 PolarHBondContact O-N 3.09Å; K517-K520 WeakPolarHBondContact O-CB 3.45Å; K517-K520 PolarHBondContact O-N 3.15Å |
| 518 | S | 69.3 | Low | 68.2 | Low | 76 Ų | 76 | 131.6 Ų | 131.6 | 53% | 0.531 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.7 | -21.2 | 178.1 | 70.9 | 0 | 0 | 0 | 0 | 113 | I514 D515 | I514-S518 WeakPolarHBondContact CG2-OG 3.22Å; D515-S518 VanDerWaalsContact O-CB 3.25Å; D515-S518 WeakPolarHBondContact O-CB 3.44Å; D515-S518 PolarHBondContact O-N 2.81Å; D515-S518 PolarHBondContact O-OG 2.95Å |
| 519 | H | 70.1 | Confident | 67.5 | Low | 122 Ų | 122 | 131.2 Ų | 131.2 | 57% | 0.565 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 1.3 | 172.7 | -56.1 | -51.8 | 0 | 0 | 0 | 113.5 | I514 K517 F521 | I514-H519 WeakPolarHBondContact CG2-NE2 3.34Å; K517-H519 PolarHBondContact O-N 3.09Å; H519-F521 WeakPolarHBondContact O-CD1 3.45Å; H519-F521 WeakPolarHBondContact O-CE1 3.46Å; H519-F521 PolarHBondContact O-N 3.01Å |
| 520 | K | 72.5 | Confident | 66.7 | Low | 159 Ų | 159 | 131.5 Ų | 131.5 | 69% | 0.691 | 67% | 0.673 | S | S | * | * | trans | -90.4 | 101.7 | 177.1 | -65.2 | -176.2 | -178.9 | -177.5 | 0 | 109.5 | K517 | K517-K520 WeakPolarHBondContact O-CB 3.45Å; K517-K520 PolarHBondContact O-N 3.15Å | ||
| 521 | F | 71.6 | Confident | 65.1 | Low | 177 Ų | 177 | 136.2 Ų | 136.2 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | trans | -86.9 | 124.6 | 168.3 | 24.1 | -88.5 | 0 | 0 | 0 | 109.2 | H519 L523 | H519-F521 WeakPolarHBondContact O-CD1 3.45Å; H519-F521 WeakPolarHBondContact O-CE1 3.46Å; H519-F521 PolarHBondContact O-N 3.01Å; F521-L523 PolarHBondContact O-N 3.03Å | ||
| 522 | V | 72.3 | Confident | 64.8 | Low | 123 Ų | 123 | 137.6 Ų | 137.6 | 75% | 0.745 | 71% | 0.706 | S | S | * | * | trans | -78.9 | 106.7 | 168.5 | 178.2 | 0 | 0 | 0 | 0 | 107 | R524 | V522-R524 VanDerWaalsContact C-N 3.33Å; V522-R524 HydrophobicContact CG1-CG 4.11Å; V522-R524 PolarHBondContact O-N 3.23Å | ||
| 523 | L | 59.8 | Low | 64.1 | Low | 133 Ų | 133 | 136.3 Ų | 136.3 | 70% | 0.696 | 70% | 0.703 | S | S | * | * | trans | -74 | 92.2 | 173.1 | -149.4 | 138.7 | 0 | 0 | 0 | 107.6 | F521 L525 | F521-L523 PolarHBondContact O-N 3.03Å; L523-L525 VanDerWaalsContact C-N 3.33Å; L523-L525 HydrophobicContact CD2-CD1 3.45Å; L523-L525 VanDerWaalsContact CD2-CD1 3.45Å; L523-L525 HydrophobicContact CD2-CG 3.93Å; L523-L525 PolarHBondContact O-N 2.98Å | ||
| 524 | R | 60.1 | Low | 63.4 | Low | 223 Ų | 223 | 133.9 Ų | 133.9 | 84% | 0.842 | 70% | 0.703 | S | S | * | * | trans | -72.6 | 91.5 | 171.5 | -71.2 | -170 | 177.2 | 173.8 | -0.2 | 107.7 | V522 Q526 | V522-R524 VanDerWaalsContact C-N 3.33Å; V522-R524 HydrophobicContact CG1-CG 4.11Å; V522-R524 PolarHBondContact O-N 3.23Å; R524-Q526 PolarHBondContact O-N 3.15Å; R524-Q526 VanDerWaalsContact O-N 3.1Å | ||
| 525 | L | 60.7 | Low | 62.7 | Low | 143 Ų | 143 | 136.1 Ų | 136.1 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | trans | -64.5 | 108.5 | 160.9 | -79.9 | 101 | 0 | 0 | 0 | 106.9 | L523 S527 | L523-L525 VanDerWaalsContact C-N 3.33Å; L523-L525 HydrophobicContact CD2-CD1 3.45Å; L523-L525 VanDerWaalsContact CD2-CD1 3.45Å; L523-L525 HydrophobicContact CD2-CG 3.93Å; L523-L525 PolarHBondContact O-N 2.98Å; L525-S527 VanDerWaalsContact C-N 3.33Å; L525-S527 PolarHBondContact O-N 2.78Å | ||
| 526 | Q | 55.5 | Low | 62 | Low | 166 Ų | 166 | 141.1 Ų | 141.1 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | -64.8 | 102.1 | 159.5 | -76.9 | -179.7 | -28.5 | 0 | 0 | 106.2 | R524 E528 | R524-Q526 PolarHBondContact O-N 3.15Å; R524-Q526 VanDerWaalsContact O-N 3.1Å; Q526-E528 PolarHBondContact O-N 2.78Å | ||
| 527 | S | 59.9 | Low | 61.2 | Low | 108 Ų | 108 | 145 Ų | 145 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -74.7 | 62.9 | 168.2 | 60.8 | 0 | 0 | 0 | 0 | 109 | L525 T529 | L525-S527 VanDerWaalsContact C-N 3.33Å; L525-S527 PolarHBondContact O-N 2.78Å; S527-T529 PolarHBondContact O-N 3.26Å | ||
| 528 | E | 56.6 | Low | 60.4 | Low | 167 Ų | 167 | 147.1 Ų | 147.1 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -91.9 | 57.5 | 161.3 | -71.3 | -171.8 | -177.2 | 0 | 0 | 108.8 | Q526 | Q526-E528 PolarHBondContact O-N 2.78Š| ||
| 529 | T | 51.6 | Low | 59.7 | Low | 133 Ų | 133 | 152.6 Ų | 152.6 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -137.2 | 85.3 | 153 | 54.3 | 0 | 0 | 0 | 0 | 106.4 | S527 | S527-T529 PolarHBondContact O-N 3.26Š| ||
| 530 | S | 47.3 | Very low | 58.9 | Low | 112 Ų | 112 | 155.2 Ų | 155.2 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -68.4 | 120.7 | 162.8 | 51.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 531 | V | 38.5 | Very low | 57.6 | Low | 218 Ų | 218 | 154.8 Ų | 154.8 | 100% | 1.321 | 82% | 0.822 | S | S | * | * | trans | 59 | 0 | 162.2 | -172.4 | 0 | 0 | 0 | 0 | 117.3 |
Retrieved 531 of 531 residues in 106.9 ms
(Link to these results)