| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.5 | Very low | 31.2 | Very low | 246 Ų | 246 | 147.1 Ų | 147.1 | 100% | 1.212 | 86% | 0.864 | S | S | * | * | 0 | 114.8 | 0 | -72.3 | -171.3 | -77.8 | 0 | 0 | 107.2 | |||||
| 2 | A | 25.4 | Very low | 31.1 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 87% | 0.868 | 86% | 0.857 | S | S | * | * | trans | -71 | 128 | -176.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3 | A | 28.5 | Very low | 30.9 | Very low | 99 Ų | 99 | 145.1 Ų | 145.1 | 82% | 0.818 | 86% | 0.861 | S | S | * | * | trans | -83.9 | 110.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 4 | E | 28.1 | Very low | 30.5 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 70% | 0.696 | 85% | 0.847 | S | S | * | * | trans | -81.3 | 125.6 | 163.9 | -74.5 | -156.8 | 140.7 | 0 | 0 | 109.5 | W6 | E4-W6 PolarHBondContact O-N 3.47Å; E4-W6 PolarHBondContact OE2-NE1 3.14Å | ||
| 5 | P | 31.5 | Very low | 30.8 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 85% | 0.85 | S | S | * | * | trans | -85.4 | 108.7 | 176.2 | 31.6 | -28.3 | 0 | 0 | 0 | 109.6 | F7 | P5-F7 PolarHBondContact O-N 2.96Š| ||
| 6 | W | 44.2 | Very low | 30.5 | Very low | 208 Ų | 208 | 134.9 Ų | 134.9 | 79% | 0.788 | 84% | 0.842 | S | S | * | * | trans | -92.2 | 95.5 | 170 | -74 | 51.9 | 0 | 0 | 0 | 108.2 | E4 | E4-W6 PolarHBondContact O-N 3.47Å; E4-W6 PolarHBondContact OE2-NE1 3.14Å | ||
| 7 | F | 34 | Very low | 30.4 | Very low | 214 Ų | 214 | 139 Ų | 139 | 94% | 0.939 | 85% | 0.849 | S | S | * | * | trans | 172.1 | 77.3 | 148 | -86.8 | -64.1 | 0 | 0 | 0 | 108 | P5 | P5-F7 PolarHBondContact O-N 2.96Š| ||
| 8 | A | 29.3 | Very low | 30.2 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 88% | 0.876 | 85% | 0.846 | S | S | * | * | trans | -126.4 | 90.1 | 166 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 9 | G | 26.8 | Very low | 30.2 | Very low | 75 Ų | 75 | 137.3 Ų | 137.3 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | trans | -151 | 80.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 10 | S | 29.6 | Very low | 30.3 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 84% | 0.841 | S | S | * | * | trans | -60.2 | 133.2 | 179 | -51.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 11 | L | 30.9 | Very low | 30.3 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 94% | 0.942 | 83% | 0.834 | S | S | * | * | trans | -121 | 99.4 | 150.1 | -76.6 | 175.4 | 0 | 0 | 0 | 108.2 | ||||
| 12 | A | 30.6 | Very low | 30 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | trans | -80 | 123.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 13 | L | 28.7 | Very low | 30.2 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -151.7 | 108.9 | 152.3 | -147.1 | 78.6 | 0 | 0 | 0 | 108 | ||||
| 14 | G | 24.6 | Very low | 30.3 | Very low | 65 Ų | 65 | 139.1 Ų | 139.1 | 67% | 0.67 | 82% | 0.821 | S | S | * | * | trans | -87.2 | -160.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 15 | P | 35.9 | Very low | 30.3 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | -119 | 150.4 | -68.1 | 35.2 | -25.4 | 0 | 0 | 0 | 110.8 | |||||
| 16 | G | 26 | Very low | 30.4 | Very low | 70 Ų | 70 | 135.7 Ų | 135.7 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | trans | 123.9 | 109.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 17 | E | 28.6 | Very low | 29.7 | Very low | 204 Ų | 204 | 129 Ų | 129 | 95% | 0.953 | 82% | 0.819 | S | S | * | * | -175.5 | 158.7 | 106.5 | -99.8 | 175.8 | 127.8 | 0 | 0 | 109.7 | |||||
| 18 | A | 26.1 | Very low | 30.1 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | -73.8 | 157.4 | -154 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 19 | L | 30.8 | Very low | 31 | Very low | 149 Ų | 149 | 124.8 Ų | 124.8 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | -53.9 | 162.4 | 158.8 | -77.4 | 161.5 | 0 | 0 | 0 | 111.8 | ||||
| 20 | P | 31.8 | Very low | 31.8 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | -123.3 | 131.5 | 119.9 | 31 | -21.7 | 0 | 0 | 0 | 112.6 | |||||
| 21 | S | 29.7 | Very low | 31.8 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | -80.2 | 141.1 | 158.7 | -61.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 22 | E | 29.6 | Very low | 31.7 | Very low | 181 Ų | 181 | 126.8 Ų | 126.8 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -175.6 | 141.5 | 153.6 | -104.1 | -177.3 | 129.3 | 0 | 0 | 105.8 | ||||
| 23 | E | 28.2 | Very low | 31.6 | Very low | 179 Ų | 179 | 129.8 Ų | 129.8 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | cis | -165.3 | 160.6 | -18.7 | -141.7 | -165 | 168.2 | 0 | 0 | 105.1 | ||||
| 24 | L | 31.2 | Very low | 31.6 | Very low | 178 Ų | 178 | 127.7 Ų | 127.7 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | -84.7 | 144.9 | -168.6 | -168.1 | 73.4 | 0 | 0 | 0 | 112.3 | ||||
| 25 | G | 27.5 | Very low | 31.8 | Very low | 65 Ų | 65 | 129.1 Ų | 129.1 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | trans | -167.1 | 150.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 26 | P | 34.6 | Very low | 31.4 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | -107.9 | 160 | -122.7 | 38.4 | -34.1 | 0 | 0 | 0 | 116.1 | |||||
| 27 | G | 28.8 | Very low | 31.8 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -95.6 | -165 | 155 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 28 | P | 42.1 | Very low | 32.4 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | cis | -128.2 | -147.7 | -12 | 45.1 | -24.9 | 0 | 0 | 0 | 109.5 | ||||
| 29 | P | 48.2 | Very low | 32.3 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | cis | -134.9 | 174.1 | 37.7 | 38.2 | -17 | 0 | 0 | 0 | 116.8 | ||||
| 30 | P | 44.2 | Very low | 32.1 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -98 | 151.3 | 174 | 37.6 | -29.6 | 0 | 0 | 0 | 112.7 | ||||
| 31 | Y | 30.3 | Very low | 32 | Very low | 232 Ų | 232 | 134 Ų | 134 | 91% | 0.91 | 80% | 0.802 | S | S | * | * | trans | -151.6 | 138.4 | 166.8 | -98.7 | -89.8 | 0 | 0 | 0 | 106 | ||||
| 32 | G | 28.4 | Very low | 32.3 | Very low | 68 Ų | 68 | 134.7 Ų | 134.7 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | cis | 172.7 | 149.8 | 4.5 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 33 | D | 28.3 | Very low | 32.2 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -54.4 | 158.7 | -175 | -69.1 | -57.2 | 0 | 0 | 0 | 116.4 | ||||
| 34 | S | 28.4 | Very low | 32.1 | Very low | 129 Ų | 129 | 130 Ų | 130 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | -145.2 | 97.7 | 143 | -71.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 35 | S | 28.5 | Very low | 31.9 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | trans | -52.4 | 150.8 | 156.2 | 163 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 36 | W | 27.6 | Very low | 31.9 | Very low | 247 Ų | 247 | 127.9 Ų | 127.9 | 94% | 0.936 | 79% | 0.785 | S | S | * | * | -179.2 | 127 | 122.3 | -91.5 | 27.2 | 0 | 0 | 0 | 111.5 | |||||
| 37 | S | 34.9 | Very low | 31.6 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -127.1 | 161.3 | 150.8 | -70.9 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 38 | P | 40.5 | Very low | 31.4 | Very low | 122 Ų | 122 | 135 Ų | 135 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | cis | -157.4 | -172.4 | 42.3 | 40.1 | -15.6 | 0 | 0 | 0 | 117.8 | ||||
| 39 | A | 25.7 | Very low | 30.7 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | 79.9 | 130 | 142 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 40 | G | 25.6 | Very low | 29.7 | Very low | 84 Ų | 84 | 136.8 Ų | 136.8 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | 165.2 | 85.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 41 | R | 29.6 | Very low | 28.9 | Very low | 219 Ų | 219 | 140.3 Ų | 140.3 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -116.6 | 144.6 | 155.3 | -151 | -166.9 | -148.8 | -163.2 | 7.8 | 106.6 | ||||
| 42 | P | 37.2 | Very low | 28.6 | Very low | 113 Ų | 113 | 141 Ų | 141 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | -136.1 | 146.9 | 101.6 | 11.6 | 12.2 | 0 | 0 | 0 | 111.5 | |||||
| 43 | E | 26.8 | Very low | 28.6 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | 54 | 140.3 | 86 | -64.2 | -161.2 | 155.9 | 0 | 0 | 113.7 | |||||
| 44 | T | 24.9 | Very low | 28.9 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | cis | -174.4 | 160.9 | -12.6 | 26.2 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 45 | S | 27.8 | Very low | 28.9 | Very low | 98 Ų | 98 | 144 Ų | 144 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | 69.8 | 110.2 | 149.4 | -62.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 46 | A | 28.2 | Very low | 29 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | -157.8 | 87.7 | 126.8 | 0 | 0 | 0 | 0 | 0 | 105.5 | |||||
| 47 | E | 26.8 | Very low | 29.1 | Very low | 169 Ų | 169 | 141 Ų | 141 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | 12.2 | 90.8 | 76.2 | -76.9 | -171.1 | 137 | 0 | 0 | 113.9 | |||||
| 48 | Q | 25.3 | Very low | 28.8 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | 176.6 | 94.5 | 130.9 | -99.8 | 169.8 | -26 | 0 | 0 | 111.6 | ||||
| 49 | E | 27.7 | Very low | 28.2 | Very low | 197 Ų | 197 | 142.2 Ų | 142.2 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -166.5 | 68.1 | 139.5 | -108.3 | -178.8 | 164 | 0 | 0 | 104.9 | ||||
| 50 | A | 26.3 | Very low | 28.8 | Very low | 70 Ų | 70 | 143.6 Ų | 143.6 | 58% | 0.579 | 78% | 0.776 | S | S | * | * | 45.7 | 86.7 | 79.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 51 | Q | 28.1 | Very low | 28.9 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | 58.3 | 101.3 | 119.8 | -68.9 | 161.7 | -38.2 | 0 | 0 | 117.6 | |||||
| 52 | R | 23.9 | Very low | 28.8 | Very low | 247 Ų | 247 | 139.1 Ų | 139.1 | 93% | 0.932 | 77% | 0.771 | S | S | * | * | trans | -160.8 | 124.5 | 131.5 | -98.7 | 179 | -163 | 168.1 | 5.4 | 103.3 | ||||
| 53 | A | 29.3 | Very low | 28.3 | Very low | 78 Ų | 78 | 138.1 Ų | 138.1 | 65% | 0.645 | 77% | 0.772 | S | S | * | * | cis | 174.3 | 151 | 23.7 | 0 | 0 | 0 | 0 | 0 | 101.5 | ||||
| 54 | Q | 33 | Very low | 28.5 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | cis | -168.4 | 126 | 9.6 | -98.9 | 148.5 | -33.9 | 0 | 0 | 100.9 | ||||
| 55 | Q | 30.3 | Very low | 28.7 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | 62.4 | 137 | 87.2 | -92.1 | -173.9 | -8.3 | 0 | 0 | 115.9 | |||||
| 56 | L | 29.7 | Very low | 28.9 | Very low | 136 Ų | 136 | 143.3 Ų | 143.3 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | trans | 101.6 | 128.1 | 165.3 | -85.1 | 68.6 | 0 | 0 | 0 | 114.3 | ||||
| 57 | M | 29.7 | Very low | 29.1 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 70% | 0.704 | 79% | 0.793 | S | S | * | * | cis | -164.6 | 123.1 | 9.3 | -130 | 159.2 | -167.6 | 0 | 0 | 105.1 | ||||
| 58 | E | 27.6 | Very low | 29.5 | Very low | 171 Ų | 171 | 144.4 Ų | 144.4 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | 75.2 | 108.3 | 95.7 | -152.2 | 164.2 | -167.4 | 0 | 0 | 113.9 | |||||
| 59 | A | 29.1 | Very low | 29.9 | Very low | 88 Ų | 88 | 143.5 Ų | 143.5 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -77.8 | 163.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 60 | P | 38.3 | Very low | 30.2 | Very low | 132 Ų | 132 | 138 Ų | 138 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | -143.9 | 167.9 | 109.9 | 31.3 | -12.7 | 0 | 0 | 0 | 115.2 | |||||
| 61 | A | 27.4 | Very low | 30.7 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -68.9 | 154 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 62 | S | 27.6 | Very low | 31.1 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | 154.9 | 149.9 | 111.3 | -66.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 63 | A | 26.7 | Very low | 31.9 | Very low | 92 Ų | 92 | 132.8 Ų | 132.8 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | 98.1 | 101.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 64 | S | 30.7 | Very low | 32.3 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | 31 | 121.7 | 141.9 | 68.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 65 | S | 29.8 | Very low | 33.2 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | -161.2 | 102 | 132.5 | -85.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 66 | R | 32.1 | Very low | 34 | Very low | 237 Ų | 237 | 122 Ų | 122 | 89% | 0.894 | 74% | 0.735 | S | S | * | * | trans | 41.7 | 99.1 | 133.9 | -136 | 171.5 | -176.1 | 151.7 | -0.4 | 117.3 | P68 | R66-P68 WeakPolarHBondContact O-CD 3.21Š| ||
| 67 | E | 32.3 | Very low | 34.9 | Very low | 174 Ų | 174 | 121.3 Ų | 121.3 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | trans | -48.7 | 130.7 | 153.7 | -98.5 | 163.8 | 104.6 | 0 | 0 | 111.3 | ||||
| 68 | P | 34.8 | Very low | 35.9 | Very low | 116 Ų | 116 | 117.3 Ų | 117.3 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | trans | -90.6 | 122 | 138.5 | 21.9 | -5.9 | 0 | 0 | 0 | 107.7 | R66 A70 | R66-P68 WeakPolarHBondContact O-CD 3.21Å; P68-A70 PolarHBondContact O-N 2.9Å | ||
| 69 | L | 33.9 | Very low | 37.3 | Very low | 165 Ų | 165 | 116.8 Ų | 116.8 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | trans | -51.8 | 90.5 | 163.9 | -78.9 | 148.4 | 0 | 0 | 0 | 109 | A71 | L69-A71 PolarHBondContact O-N 3.36Å; L69-A71 VanDerWaalsContact O-N 3.14Å | ||
| 70 | A | 32.8 | Very low | 38.7 | Very low | 82 Ų | 82 | 118.7 Ų | 118.7 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | trans | -67.2 | 106 | 157.6 | 0 | 0 | 0 | 0 | 0 | 105 | P68 E72 | P68-A70 PolarHBondContact O-N 2.9Å; A70-E72 PolarHBondContact O-N 3.42Å | ||
| 71 | A | 37.6 | Very low | 40.1 | Very low | 84 Ų | 84 | 116.1 Ų | 116.1 | 69% | 0.694 | 69% | 0.689 | S | S | * | * | trans | -60.7 | 90.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | L69 L73 | L69-A71 PolarHBondContact O-N 3.36Å; L69-A71 VanDerWaalsContact O-N 3.14Å; A71-L73 PolarHBondContact O-N 2.98Å | ||
| 72 | E | 36.3 | Very low | 42.1 | Very low | 175 Ų | 175 | 112.6 Ų | 112.6 | 82% | 0.818 | 66% | 0.658 | S | S | * | * | trans | -59.5 | 80.5 | 157.1 | -82.2 | -92.3 | 140.1 | 0 | 0 | 107.1 | A70 G74 | A70-E72 PolarHBondContact O-N 3.42Å; E72-G74 PolarHBondContact O-N 3.32Å | ||
| 73 | L | 40.3 | Very low | 44.3 | Very low | 134 Ų | 134 | 111.9 Ų | 111.9 | 70% | 0.702 | 64% | 0.644 | S | S | * | * | trans | -66.1 | 84.4 | 162.6 | -92.5 | 149.8 | 0 | 0 | 0 | 106.6 | A71 Q77 | A71-L73 PolarHBondContact O-N 2.98Å; L73-Q77 HydrophobicContact CD2-CB 4.43Å | ||
| 74 | G | 37.8 | Very low | 46.8 | Very low | 25 Ų | 25 | 111.6 Ų | 111.6 | 26% | 0.258 | 64% | 0.637 | S | S | . | * | trans | -60.3 | 156.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E72 A76 Q77 | E72-G74 PolarHBondContact O-N 3.32Å; G74-A76 PolarHBondContact O-N 3.24Å; G74-Q77 PolarHBondContact O-N 3.29Å | ||
| 75 | P | 51.7 | Low | 49 | Very low | 100 Ų | 100 | 110.9 Ų | 110.9 | 65% | 0.649 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -59 | -13 | 179.9 | 22.5 | -32.8 | 0 | 0 | 0 | 114.2 | R79 | P75-R79 VanDerWaalsContact O-CG 3.29Å; P75-R79 WeakPolarHBondContact O-CG 3.33Å |
| 76 | A | 48.3 | Very low | 51.6 | Low | 65 Ų | 65 | 106.3 Ų | 106.3 | 54% | 0.537 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -74.4 | -32.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G74 R79 | G74-A76 PolarHBondContact O-N 3.24Å; A76-R79 PolarHBondContact O-N 3.21Å |
| 77 | Q | 48.8 | Very low | 54.2 | Low | 121 Ų | 121 | 97.5 Ų | 97.5 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -76.1 | -25 | -179.5 | -85.5 | 175.6 | -25.4 | 0 | 0 | 113 | L73 G74 P81 | L73-Q77 HydrophobicContact CD2-CB 4.43Å; G74-Q77 PolarHBondContact O-N 3.29Å; Q77-P81 WeakPolarHBondContact O-CD 3.31Å; Q77-P81 WeakPolarHBondContact O-CG 3.22Å |
| 78 | A | 50.8 | Low | 57 | Low | 59 Ų | 59 | 93.1 Ų | 93.1 | 49% | 0.488 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -80.7 | -20.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P81 L82 | A78-P81 WeakPolarHBondContact O-CD 3.23Å; A78-L82 VanDerWaalsContact O-CD1 3.28Å; A78-L82 WeakPolarHBondContact O-CD1 3.23Å; A78-L82 WeakPolarHBondContact O-CG 3.23Å |
| 79 | R | 55.3 | Low | 59.7 | Low | 161 Ų | 161 | 88.2 Ų | 88.2 | 61% | 0.608 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -72.8 | -43.1 | 178.6 | -76.3 | 172.8 | -179.4 | 174.8 | 0.2 | 113 | P75 A76 L82 D83 | P75-R79 VanDerWaalsContact O-CG 3.29Å; P75-R79 WeakPolarHBondContact O-CG 3.33Å; A76-R79 PolarHBondContact O-N 3.21Å; R79-L82 WeakPolarHBondContact O-CB 3.4Å; R79-L82 PolarHBondContact O-N 3.47Å; R79-L82 VanDerWaalsContact O-N 3.09Å; R79-D83 VanDerWaalsContact O-CG 3.26Å; R79-D83 PolarHBondContact O-N 3.47Å |
| 80 | L | 59.3 | Low | 62.4 | Low | 128 Ų | 128 | 82.6 Ų | 82.6 | 67% | 0.67 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.9 | -40.8 | -179.1 | -60.8 | 170.1 | 0 | 0 | 0 | 114.3 | L82 S84 | L80-L82 VanDerWaalsContact C-N 3.35Å; L80-S84 PolarHBondContact O-N 3.28Å |
| 81 | P | 68.8 | Low | 65.3 | Low | 77 Ų | 77 | 82 Ų | 82 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.6 | -34.8 | 172.7 | -22.4 | 31.7 | 0 | 0 | 0 | 113.9 | Q77 A78 M85 | Q77-P81 WeakPolarHBondContact O-CD 3.31Å; Q77-P81 WeakPolarHBondContact O-CG 3.22Å; A78-P81 WeakPolarHBondContact O-CD 3.23Å; P81-M85 WeakPolarHBondContact O-CB 3.45Å; P81-M85 PolarHBondContact O-N 3Å; P81-M85 VanDerWaalsContact O-N 3.09Å |
| 82 | L | 69.4 | Low | 68 | Low | 17 Ų | 17 | 82 Ų | 82 | 9% | 0.089 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -74.4 | -43.6 | 179.9 | -75.3 | 164.4 | 0 | 0 | 0 | 111.5 | A78 R79 L80 S84 M85 F86 L151 L154 V155 | A78-L82 VanDerWaalsContact O-CD1 3.28Å; A78-L82 WeakPolarHBondContact O-CD1 3.23Å; A78-L82 WeakPolarHBondContact O-CG 3.23Å; R79-L82 WeakPolarHBondContact O-CB 3.4Å; R79-L82 PolarHBondContact O-N 3.47Å; R79-L82 VanDerWaalsContact O-N 3.09Å; L80-L82 VanDerWaalsContact C-N 3.35Å; L82-S84 PolarHBondContact O-N 2.95Å; L82-M85 HydrophobicContact CD2-CE 4.28Å; L82-M85 WeakPolarHBondContact O-CB 3.39Å; L82-M85 PolarHBondContact O-N 2.72Å; L82-F86 HydrophobicContact CD2-CE2 4.3Å; L82-F86 VanDerWaalsContact O-CD2 3.3Å; L82-F86 WeakPolarHBondContact O-CD2 3.44Å; L82-F86 PolarHBondContact O-N 2.78Å; L82-L151 HydrophobicContact CD1-CD1 4.21Å; L82-L151 HydrophobicContact CD2-CD1 3.78Å; L82-L151 HydrophobicContact CG-CD1 4.25Å; L82-L154 HydrophobicContact CD1-CD2 3.24Å; L82-L154 HydrophobicContact CD2-CD2 4.36Å; L82-L154 HydrophobicContact CG-CD2 4.42Å; L82-V155 HydrophobicContact CD2-CG2 3.92Å |
| 83 | D | 72.6 | Confident | 70.8 | Confident | 104 Ų | 104 | 74.1 Ų | 74.1 | 56% | 0.556 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.2 | -38.8 | 176.6 | -64.5 | -27.6 | 0 | 0 | 0 | 110.9 | R79 S87 | R79-D83 VanDerWaalsContact O-CG 3.26Å; R79-D83 PolarHBondContact O-N 3.47Å; D83-S87 PolarHBondContact O-N 3.06Å |
| 84 | S | 78.6 | Confident | 73.4 | Confident | 86 Ų | 86 | 74 Ų | 74 | 60% | 0.601 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.2 | -42.3 | 172.8 | -175.1 | 0 | 0 | 0 | 0 | 112.5 | L80 L82 S87 | L80-S84 PolarHBondContact O-N 3.28Å; L82-S84 PolarHBondContact O-N 2.95Å; S84-S87 WeakPolarHBondContact O-CB 3.49Å; S84-S87 PolarHBondContact O-N 2.91Å |
| 85 | M | 77.6 | Confident | 76.2 | Confident | 96 Ų | 96 | 78.2 Ų | 78.2 | 47% | 0.473 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 177.7 | -172.1 | -171.5 | -49.7 | 0 | 0 | 112.4 | P81 L82 V155 | P81-M85 WeakPolarHBondContact O-CB 3.45Å; P81-M85 PolarHBondContact O-N 3Å; P81-M85 VanDerWaalsContact O-N 3.09Å; L82-M85 HydrophobicContact CD2-CE 4.28Å; L82-M85 WeakPolarHBondContact O-CB 3.39Å; L82-M85 PolarHBondContact O-N 2.72Å; M85-V155 HydrophobicContact SD-CG2 4.1Å |
| 86 | F | 84.1 | Confident | 78.3 | Confident | 27 Ų | 27 | 73.6 Ų | 73.6 | 12% | 0.118 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -82.1 | -13.1 | 179.3 | -80.5 | -75.5 | 0 | 0 | 0 | 113.6 | L82 I89 T90 V155 L159 I162 | L82-F86 HydrophobicContact CD2-CE2 4.3Å; L82-F86 VanDerWaalsContact O-CD2 3.3Å; L82-F86 WeakPolarHBondContact O-CD2 3.44Å; L82-F86 PolarHBondContact O-N 2.78Å; F86-I89 HydrophobicContact CD1-CD1 4.12Å; F86-I89 HydrophobicContact CE1-CD1 4.49Å; F86-I89 PolarHBondContact O-N 3.17Å; F86-I89 VanDerWaalsContact O-N 3.17Å; F86-T90 VanDerWaalsContact O-CB 3.31Å; F86-T90 WeakPolarHBondContact O-CB 3.26Å; F86-T90 PolarHBondContact O-N 2.72Å; F86-T90 PolarHBondContact O-OG1 2.87Å; F86-V155 HydrophobicContact CE2-CG2 4.41Å; F86-V155 HydrophobicContact CZ-CB 4.4Å; F86-V155 HydrophobicContact CZ-CG1 4.14Å; F86-L159 HydrophobicContact CD1-CD2 4.5Å; F86-L159 HydrophobicContact CE1-CD2 3.77Å; F86-L159 HydrophobicContact CE1-CG 3.97Å; F86-L159 HydrophobicContact CZ-CG 4.44Å; F86-I162 HydrophobicContact CD1-CD1 3.99Å; F86-I162 HydrophobicContact CE1-CD1 4.31Å |
| 87 | S | 87.3 | Confident | 80.6 | Confident | 51 Ų | 51 | 71.7 Ų | 71.7 | 36% | 0.357 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -49.1 | -57.6 | -179.3 | -171.6 | 0 | 0 | 0 | 0 | 113.4 | D83 S84 I89 T90 D91 | D83-S87 PolarHBondContact O-N 3.06Å; S84-S87 WeakPolarHBondContact O-CB 3.49Å; S84-S87 PolarHBondContact O-N 2.91Å; S87-I89 VanDerWaalsContact C-N 3.26Å; S87-I89 PolarHBondContact O-N 3.02Å; S87-T90 PolarHBondContact O-N 2.96Å; S87-T90 VanDerWaalsContact O-N 3.11Å; S87-D91 WeakPolarHBondContact O-CB 3.27Å; S87-D91 VanDerWaalsContact O-CG 3.32Å; S87-D91 PolarHBondContact O-N 3.43Å; S87-D91 PolarHBondContact OG-OD2 2.92Å |
| 88 | P | 89.9 | Confident | 82.8 | Confident | 82 Ų | 82 | 73.5 Ų | 73.5 | 53% | 0.532 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.2 | -34.9 | -177.5 | 25.2 | -34.9 | 0 | 0 | 0 | 112.5 | Q92 | P88-Q92 WeakPolarHBondContact O-CB 3.47Å; P88-Q92 PolarHBondContact O-N 3.21Å; P88-Q92 VanDerWaalsContact O-N 3.09Å |
| 89 | I | 91.9 | Very high | 85 | Confident | 14 Ų | 14 | 74.2 Ų | 74.2 | 7% | 0.072 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.9 | -43.2 | 177.9 | -54.3 | 175.5 | 0 | 0 | 0 | 109.4 | F86 S87 Q92 L93 Y133 Y136 L137 L159 I162 | F86-I89 HydrophobicContact CD1-CD1 4.12Å; F86-I89 HydrophobicContact CE1-CD1 4.49Å; F86-I89 PolarHBondContact O-N 3.17Å; F86-I89 VanDerWaalsContact O-N 3.17Å; S87-I89 VanDerWaalsContact C-N 3.26Å; S87-I89 PolarHBondContact O-N 3.02Å; I89-Q92 PolarHBondContact O-N 3.47Å; I89-L93 PolarHBondContact O-N 2.87Å; I89-Y133 HydrophobicContact CG2-CE2 4.16Å; I89-Y133 WeakPolarHBondContact CG2-OH 3.41Å; I89-Y133 PolarHBondContact O-OH 2.78Å; I89-Y136 HydrophobicContact CD1-CE1 3.8Å; I89-Y136 HydrophobicContact CG1-CE1 3.95Å; I89-L137 HydrophobicContact CG2-CD2 3.71Å; I89-L159 HydrophobicContact CD1-CD2 3.66Å; I89-L159 HydrophobicContact CG2-CD2 4.4Å; I89-I162 HydrophobicContact CG2-CD1 3.84Å; I89-I162 HydrophobicContact CG2-CG2 4.39Å |
| 90 | T | 91.4 | Very high | 86.9 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 29% | 0.288 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -74.5 | -34.5 | -178.4 | -52.3 | 0 | 0 | 0 | 0 | 111.9 | F86 S87 Q92 L93 R94 | F86-T90 VanDerWaalsContact O-CB 3.31Å; F86-T90 WeakPolarHBondContact O-CB 3.26Å; F86-T90 PolarHBondContact O-N 2.72Å; F86-T90 PolarHBondContact O-OG1 2.87Å; S87-T90 PolarHBondContact O-N 2.96Å; S87-T90 VanDerWaalsContact O-N 3.11Å; T90-Q92 VanDerWaalsContact C-N 3.35Å; T90-L93 PolarHBondContact O-N 3.42Å; T90-R94 WeakPolarHBondContact O-CB 3.41Å; T90-R94 WeakPolarHBondContact O-CG 3.28Å; T90-R94 PolarHBondContact O-N 3.42Å |
| 91 | D | 93.8 | Very high | 88.6 | Confident | 70 Ų | 70 | 63.2 Ų | 63.2 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 170.4 | -77 | -48.3 | 0 | 0 | 0 | 110.7 | S87 R94 Y95 | S87-D91 WeakPolarHBondContact O-CB 3.27Å; S87-D91 VanDerWaalsContact O-CG 3.32Å; S87-D91 PolarHBondContact O-N 3.43Å; S87-D91 PolarHBondContact OG-OD2 2.92Å; D91-R94 PolarHBondContact O-N 3.21Å; D91-R94 IonicContact OD1-CZ 3.45Å; D91-R94 IonicContact OD1-NH1 2.66Å; D91-R94 PolarHBondContact OD1-NH1 2.89Å; D91-R94 IonicContact OD1-NH2 3.41Å; D91-R94 PolarHBondContact OD1-NH2 3.26Å; D91-Y95 PolarHBondContact O-N 2.59Å |
| 92 | Q | 93.6 | Very high | 89.7 | Confident | 84 Ų | 84 | 61.9 Ų | 61.9 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 176.7 | -172 | 65 | 10.3 | 0 | 0 | 112.1 | P88 I89 T90 R94 Y95 L96 Y133 | P88-Q92 WeakPolarHBondContact O-CB 3.47Å; P88-Q92 PolarHBondContact O-N 3.21Å; P88-Q92 VanDerWaalsContact O-N 3.09Å; I89-Q92 PolarHBondContact O-N 3.47Å; T90-Q92 VanDerWaalsContact C-N 3.35Å; Q92-R94 PolarHBondContact O-N 3.25Å; Q92-Y95 WeakPolarHBondContact O-CB 3.4Å; Q92-Y95 PolarHBondContact O-N 3.49Å; Q92-L96 WeakPolarHBondContact O-CG 3.46Å; Q92-L96 PolarHBondContact O-N 3.15Å; Q92-Y133 HydrophobicContact CB-CD2 4.2Å; Q92-Y133 HydrophobicContact CB-CE2 3.73Å; Q92-Y133 HydrophobicContact CG-CD2 3.54Å; Q92-Y133 HydrophobicContact CG-CE2 3.6Å; Q92-Y133 HydrophobicContact CG-CG 4.31Å |
| 93 | L | 94.8 | Very high | 90.9 | Very high | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57 | -50.7 | 172.3 | 177.6 | 66.6 | 0 | 0 | 0 | 110.5 | I89 T90 Y95 L96 L97 Y133 I162 L166 | I89-L93 PolarHBondContact O-N 2.87Å; T90-L93 PolarHBondContact O-N 3.42Å; L93-Y95 VanDerWaalsContact C-N 3.27Å; L93-Y95 PolarHBondContact O-N 3.47Å; L93-L96 PolarHBondContact O-N 2.88Å; L93-L96 VanDerWaalsContact O-N 3.12Å; L93-L97 HydrophobicContact CD1-CD1 3.94Å; L93-L97 HydrophobicContact CD1-CD2 4.28Å; L93-L97 HydrophobicContact CD1-CG 3.88Å; L93-L97 HydrophobicContact CD2-CD1 4.12Å; L93-L97 HydrophobicContact CG-CD1 3.71Å; L93-L97 HydrophobicContact CG-CG 4.04Å; L93-L97 WeakPolarHBondContact O-CB 3.3Å; L93-L97 VanDerWaalsContact O-CG 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.42Å; L93-L97 PolarHBondContact O-N 3.33Å; L93-Y133 HydrophobicContact CB-CE1 4.48Å; L93-Y133 WeakPolarHBondContact CB-OH 3.49Å; L93-Y133 HydrophobicContact CD1-CE1 4.41Å; L93-I162 HydrophobicContact CB-CG2 4.34Å; L93-I162 HydrophobicContact CD1-CG2 4.22Å; L93-I162 HydrophobicContact CD2-CG1 4.37Å; L93-I162 HydrophobicContact CD2-CG2 4.09Å; L93-I162 HydrophobicContact CG-CG2 4.42Å; L93-L166 HydrophobicContact CD1-CB 3.99Å |
| 94 | R | 95.4 | Very high | 91.9 | Very high | 133 Ų | 133 | 59.9 Ų | 59.9 | 50% | 0.502 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.9 | -40.1 | 179.4 | -83.7 | -174.2 | -87.4 | 111 | -4.4 | 112 | T90 D91 Q92 R98 | T90-R94 WeakPolarHBondContact O-CB 3.41Å; T90-R94 WeakPolarHBondContact O-CG 3.28Å; T90-R94 PolarHBondContact O-N 3.42Å; D91-R94 PolarHBondContact O-N 3.21Å; D91-R94 IonicContact OD1-CZ 3.45Å; D91-R94 IonicContact OD1-NH1 2.66Å; D91-R94 PolarHBondContact OD1-NH1 2.89Å; D91-R94 IonicContact OD1-NH2 3.41Å; D91-R94 PolarHBondContact OD1-NH2 3.26Å; Q92-R94 PolarHBondContact O-N 3.25Å; R94-R98 WeakPolarHBondContact O-CB 3.36Å; R94-R98 PolarHBondContact O-N 2.9Å |
| 95 | Y | 95.9 | Very high | 92.5 | Very high | 113 Ų | 113 | 58.2 Ų | 58.2 | 44% | 0.443 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 174 | 172.5 | -94.6 | 0 | 0 | 0 | 111.9 | D91 Q92 L93 R98 K99 | D91-Y95 PolarHBondContact O-N 2.59Å; Q92-Y95 WeakPolarHBondContact O-CB 3.4Å; Q92-Y95 PolarHBondContact O-N 3.49Å; L93-Y95 VanDerWaalsContact C-N 3.27Å; L93-Y95 PolarHBondContact O-N 3.47Å; Y95-R98 PolarHBondContact O-N 2.87Å; Y95-K99 HydrophobicContact CE1-CG 4.1Å; Y95-K99 HydrophobicContact CE2-CG 4.47Å; Y95-K99 WeakPolarHBondContact O-CG 3.32Å; Y95-K99 PolarHBondContact O-N 3.39Å; Y95-K99 VanDerWaalsContact OH-CE 3.27Å; Y95-K99 WeakPolarHBondContact OH-CE 3.38Å |
| 96 | L | 96.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.4 | -42.4 | -179.6 | -67.4 | 175.9 | 0 | 0 | 0 | 112.2 | Q92 L93 R98 K99 A100 F126 Y133 L166 | Q92-L96 WeakPolarHBondContact O-CG 3.46Å; Q92-L96 PolarHBondContact O-N 3.15Å; L93-L96 PolarHBondContact O-N 2.88Å; L93-L96 VanDerWaalsContact O-N 3.12Å; L96-R98 VanDerWaalsContact C-N 3.33Å; L96-R98 PolarHBondContact O-N 2.81Å; L96-K99 WeakPolarHBondContact O-CB 3.01Å; L96-K99 PolarHBondContact O-N 3.34Å; L96-A100 PolarHBondContact O-N 2.98Å; L96-F126 HydrophobicContact CD2-CE2 4.48Å; L96-Y133 HydrophobicContact CD1-CD1 3.58Å; L96-Y133 HydrophobicContact CD1-CE1 4.15Å; L96-Y133 HydrophobicContact CD1-CG 3.82Å; L96-L166 HydrophobicContact CB-CD1 4.09Å; L96-L166 HydrophobicContact CD1-CD2 3.84Å |
| 97 | L | 96.4 | Very high | 93.4 | Very high | 25 Ų | 25 | 58.9 Ų | 58.9 | 13% | 0.131 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63 | -41.3 | 174.9 | -67 | 179.2 | 0 | 0 | 0 | 111.2 | L93 K99 A100 D101 L166 R169 | L93-L97 HydrophobicContact CD1-CD1 3.94Å; L93-L97 HydrophobicContact CD1-CD2 4.28Å; L93-L97 HydrophobicContact CD1-CG 3.88Å; L93-L97 HydrophobicContact CD2-CD1 4.12Å; L93-L97 HydrophobicContact CG-CD1 3.71Å; L93-L97 HydrophobicContact CG-CG 4.04Å; L93-L97 WeakPolarHBondContact O-CB 3.3Å; L93-L97 VanDerWaalsContact O-CG 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.42Å; L93-L97 PolarHBondContact O-N 3.33Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 3.06Å; L97-A100 WeakPolarHBondContact O-CB 3.45Å; L97-A100 PolarHBondContact O-N 2.98Å; L97-A100 VanDerWaalsContact O-N 3.13Å; L97-D101 VanDerWaalsContact O-CG 3.24Å; L97-D101 PolarHBondContact O-N 2.89Å; L97-L166 HydrophobicContact CD2-CD1 4.28Å; L97-R169 HydrophobicContact CD2-CB 3.77Å; L97-R169 HydrophobicContact CD2-CG 3.7Å |
| 98 | R | 96.3 | Very high | 93.4 | Very high | 158 Ų | 158 | 60.2 Ų | 60.2 | 60% | 0.596 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.7 | -40.6 | 175.7 | -178 | 59.3 | -176.6 | -154.7 | -2.1 | 111.7 | R94 Y95 L96 D101 D102 | R94-R98 WeakPolarHBondContact O-CB 3.36Å; R94-R98 PolarHBondContact O-N 2.9Å; Y95-R98 PolarHBondContact O-N 2.87Å; L96-R98 VanDerWaalsContact C-N 3.33Å; L96-R98 PolarHBondContact O-N 2.81Å; R98-D101 WeakPolarHBondContact O-CB 3.46Å; R98-D101 PolarHBondContact O-N 3.38Å; R98-D102 IonicContact NE-OD1 3.33Å; R98-D102 PolarHBondContact NE-OD1 3.04Å; R98-D102 VanDerWaalsContact O-CG 3.23Å; R98-D102 PolarHBondContact O-N 3.12Å |
| 99 | K | 95.3 | Very high | 93.3 | Very high | 74 Ų | 74 | 65.1 Ų | 65.1 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 172.9 | -70.8 | -64.1 | -174.4 | -176.2 | 0 | 111.4 | Y95 L96 L97 D101 D102 F103 F126 | Y95-K99 HydrophobicContact CE1-CG 4.1Å; Y95-K99 HydrophobicContact CE2-CG 4.47Å; Y95-K99 WeakPolarHBondContact O-CG 3.32Å; Y95-K99 PolarHBondContact O-N 3.39Å; Y95-K99 VanDerWaalsContact OH-CE 3.27Å; Y95-K99 WeakPolarHBondContact OH-CE 3.38Å; L96-K99 WeakPolarHBondContact O-CB 3.01Å; L96-K99 PolarHBondContact O-N 3.34Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 3.06Å; K99-D101 VanDerWaalsContact C-N 3.28Å; K99-D101 PolarHBondContact O-N 3.32Å; K99-D102 WeakPolarHBondContact O-CB 3.13Å; K99-D102 PolarHBondContact O-N 3.28Å; K99-F103 VanDerWaalsContact O-CD2 3.3Å; K99-F103 WeakPolarHBondContact O-CD2 3.45Å; K99-F103 PolarHBondContact O-N 3.14Å; K99-F126 HydrophobicContact CB-CD2 4.42Å; K99-F126 HydrophobicContact CB-CE2 3.55Å; K99-F126 HydrophobicContact CB-CZ 3.89Å; K99-F126 HydrophobicContact CG-CE2 4.44Å |
| 100 | A | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.7 | -38.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L96 L97 F103 Q104 F126 R169 L173 | L96-A100 PolarHBondContact O-N 2.98Å; L97-A100 WeakPolarHBondContact O-CB 3.45Å; L97-A100 PolarHBondContact O-N 2.98Å; L97-A100 VanDerWaalsContact O-N 3.13Å; A100-F103 WeakPolarHBondContact O-CB 3.38Å; A100-F103 PolarHBondContact O-N 3.28Å; A100-Q104 PolarHBondContact O-N 3.02Å; A100-F126 HydrophobicContact CB-CE1 4.09Å; A100-F126 HydrophobicContact CB-CZ 4.14Å; A100-R169 HydrophobicContact CB-CG 3.95Å; A100-L173 HydrophobicContact CB-CD2 4.07Å |
| 101 | D | 95.1 | Very high | 92.6 | Very high | 59 Ų | 59 | 75.1 Ų | 75.1 | 32% | 0.316 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.9 | -39.5 | 175.2 | -64.4 | -18.6 | 0 | 0 | 0 | 112.4 | L97 R98 K99 Q104 S105 R169 | L97-D101 VanDerWaalsContact O-CG 3.24Å; L97-D101 PolarHBondContact O-N 2.89Å; R98-D101 WeakPolarHBondContact O-CB 3.46Å; R98-D101 PolarHBondContact O-N 3.38Å; K99-D101 VanDerWaalsContact C-N 3.28Å; K99-D101 PolarHBondContact O-N 3.32Å; D101-Q104 PolarHBondContact O-N 3.45Å; D101-S105 VanDerWaalsContact O-CB 3.32Å; D101-S105 WeakPolarHBondContact O-CB 3.42Å; D101-S105 PolarHBondContact O-N 3.27Å; D101-S105 PolarHBondContact O-OG 3.17Å; D101-R169 IonicContact OD1-CZ 3.48Å; D101-R169 IonicContact OD1-NE 3.93Å; D101-R169 PolarHBondContact OD1-NE 3.29Å; D101-R169 IonicContact OD1-NH2 3.51Å; D101-R169 PolarHBondContact OD1-NH2 3.36Å |
| 102 | D | 93.1 | Very high | 92.3 | Very high | 48 Ų | 48 | 75 Ų | 75 | 26% | 0.257 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 174 | -63.3 | -23.8 | 0 | 0 | 0 | 109.2 | R98 K99 Q104 S105 Y106 | R98-D102 IonicContact NE-OD1 3.33Å; R98-D102 PolarHBondContact NE-OD1 3.04Å; R98-D102 VanDerWaalsContact O-CG 3.23Å; R98-D102 PolarHBondContact O-N 3.12Å; K99-D102 WeakPolarHBondContact O-CB 3.13Å; K99-D102 PolarHBondContact O-N 3.28Å; D102-Q104 VanDerWaalsContact C-N 3.31Å; D102-Q104 PolarHBondContact O-N 3.35Å; D102-S105 PolarHBondContact O-N 3.4Å; D102-S105 VanDerWaalsContact O-N 3.16Å; D102-Y106 HydrophobicContact CB-CE2 4.49Å; D102-Y106 WeakPolarHBondContact O-CD2 3.33Å; D102-Y106 PolarHBondContact O-N 3.48Å |
| 103 | F | 93.4 | Very high | 91.9 | Very high | 23 Ų | 23 | 79.3 Ų | 79.3 | 10% | 0.101 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.6 | -43.3 | 175.3 | -90.5 | -106.2 | 0 | 0 | 0 | 112.4 | K99 A100 L107 L119 A122 M123 F126 L173 Y177 | K99-F103 VanDerWaalsContact O-CD2 3.3Å; K99-F103 WeakPolarHBondContact O-CD2 3.45Å; K99-F103 PolarHBondContact O-N 3.14Å; A100-F103 WeakPolarHBondContact O-CB 3.38Å; A100-F103 PolarHBondContact O-N 3.28Å; F103-L107 PolarHBondContact O-N 2.89Å; F103-L119 HydrophobicContact CD1-CD1 3.66Å; F103-L119 HydrophobicContact CD1-CD2 4.23Å; F103-L119 HydrophobicContact CD1-CG 3.63Å; F103-L119 HydrophobicContact CD2-CD1 4.35Å; F103-L119 HydrophobicContact CE1-CD1 3.43Å; F103-L119 VanDerWaalsContact CE1-CD1 3.43Å; F103-L119 HydrophobicContact CE1-CG 3.78Å; F103-L119 WeakPolarHBondContact CE1-O 3.32Å; F103-L119 HydrophobicContact CE2-CD1 4.18Å; F103-L119 HydrophobicContact CG-CD1 4.13Å; F103-L119 HydrophobicContact CG-CD2 4.5Å; F103-L119 HydrophobicContact CG-CG 4.3Å; F103-L119 HydrophobicContact CZ-CD1 3.72Å; F103-A122 HydrophobicContact CE1-CB 4.3Å; F103-A122 HydrophobicContact CZ-CB 4.16Å; F103-M123 HydrophobicContact CD1-CE 3.9Å; F103-M123 HydrophobicContact CD1-SD 4.32Å; F103-M123 HydrophobicContact CE1-CE 4.4Å; F103-M123 HydrophobicContact CE1-SD 4.43Å; F103-F126 HydrophobicContact CE1-CB 4.44Å; F103-F126 HydrophobicContact CE2-CB 4.14Å; F103-F126 HydrophobicContact CE2-CD1 4.35Å; F103-F126 HydrophobicContact CE2-CD2 4.33Å; F103-F126 HydrophobicContact CE2-CG 4.01Å; F103-F126 HydrophobicContact CZ-CB 3.78Å; F103-F126 HydrophobicContact CZ-CG 4.14Å; F103-L173 HydrophobicContact CB-CD1 3.95Å; F103-L173 HydrophobicContact CB-CD2 3.91Å; F103-L173 HydrophobicContact CG-CD2 4.36Å; F103-Y177 PolarHBondContact O-OH 2.81Å |
| 104 | Q | 93.8 | Very high | 91.4 | Very high | 56 Ų | 56 | 83 Ų | 83 | 26% | 0.262 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 176.4 | 171.1 | 169 | -12.3 | 0 | 0 | 111.9 | A100 D101 D102 Y106 L107 L108 R169 L173 M176 | A100-Q104 PolarHBondContact O-N 3.02Å; D101-Q104 PolarHBondContact O-N 3.45Å; D102-Q104 VanDerWaalsContact C-N 3.31Å; D102-Q104 PolarHBondContact O-N 3.35Å; Q104-Y106 PolarHBondContact O-N 3.48Å; Q104-L107 WeakPolarHBondContact O-CB 3.49Å; Q104-L107 PolarHBondContact O-N 2.96Å; Q104-L108 HydrophobicContact CG-CD1 3.8Å; Q104-L108 HydrophobicContact CG-CG 4.37Å; Q104-L108 WeakPolarHBondContact O-CG 3.16Å; Q104-L108 PolarHBondContact O-N 3.41Å; Q104-R169 VanDerWaalsContact OE1-CZ 3.22Å; Q104-L173 HydrophobicContact CB-CD1 4.2Å; Q104-M176 HydrophobicContact CB-CE 3.6Å; Q104-M176 HydrophobicContact CG-CE 3.5Å; Q104-M176 VanDerWaalsContact CG-CE 3.5Å; Q104-M176 HydrophobicContact CG-SD 3.97Å |
| 105 | S | 91.9 | Very high | 90.8 | Very high | 51 Ų | 51 | 81.7 Ų | 81.7 | 36% | 0.357 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | -178.4 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | D101 D102 L107 L108 Y109 | D101-S105 VanDerWaalsContact O-CB 3.32Å; D101-S105 WeakPolarHBondContact O-CB 3.42Å; D101-S105 PolarHBondContact O-N 3.27Å; D101-S105 PolarHBondContact O-OG 3.17Å; D102-S105 PolarHBondContact O-N 3.4Å; D102-S105 VanDerWaalsContact O-N 3.16Å; S105-L107 VanDerWaalsContact C-N 3.34Å; S105-L107 PolarHBondContact O-N 3.33Å; S105-L108 PolarHBondContact O-N 2.94Å; S105-Y109 WeakPolarHBondContact O-CB 3.48Å; S105-Y109 VanDerWaalsContact O-CD2 3.22Å; S105-Y109 WeakPolarHBondContact O-CD2 3.44Å; S105-Y109 PolarHBondContact O-N 2.84Å |
| 106 | Y | 89.7 | Confident | 90.4 | Very high | 138 Ų | 138 | 77.9 Ų | 77.9 | 54% | 0.541 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 175.1 | -81.3 | -68 | 0 | 0 | 0 | 112.4 | D102 Q104 L108 S110 L119 | D102-Y106 HydrophobicContact CB-CE2 4.49Å; D102-Y106 WeakPolarHBondContact O-CD2 3.33Å; D102-Y106 PolarHBondContact O-N 3.48Å; Q104-Y106 PolarHBondContact O-N 3.48Å; Y106-L108 PolarHBondContact O-N 3.19Å; Y106-S110 WeakPolarHBondContact O-CB 3.35Å; Y106-S110 PolarHBondContact O-N 3.46Å; Y106-L119 HydrophobicContact CD2-CD2 4.11Å; Y106-L119 HydrophobicContact CG-CD2 3.92Å |
| 107 | L | 90 | Very high | 90 | Very high | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 177.5 | -176.1 | 68.7 | 0 | 0 | 0 | 112.2 | F103 Q104 S105 K116 M176 Y177 F180 F182 | F103-L107 PolarHBondContact O-N 2.89Å; Q104-L107 WeakPolarHBondContact O-CB 3.49Å; Q104-L107 PolarHBondContact O-N 2.96Å; S105-L107 VanDerWaalsContact C-N 3.34Å; S105-L107 PolarHBondContact O-N 3.33Å; L107-K116 HydrophobicContact CD1-CD 4.39Å; L107-K116 WeakPolarHBondContact O-CE 3.33Å; L107-K116 PolarHBondContact O-NZ 3.22Å; L107-M176 HydrophobicContact CD2-CB 4.48Å; L107-M176 HydrophobicContact CD2-CE 3.49Å; L107-M176 VanDerWaalsContact CD2-CE 3.49Å; L107-M176 HydrophobicContact CD2-CG 3.65Å; L107-M176 HydrophobicContact CD2-SD 4Å; L107-Y177 HydrophobicContact CB-CE2 3.94Å; L107-Y177 HydrophobicContact CD1-CD1 4.09Å; L107-Y177 HydrophobicContact CD1-CE1 3.89Å; L107-Y177 HydrophobicContact CD1-CE2 4.36Å; L107-Y177 HydrophobicContact CD1-CG 4.42Å; L107-Y177 HydrophobicContact CD2-CD2 3.67Å; L107-Y177 HydrophobicContact CD2-CE2 3.72Å; L107-Y177 HydrophobicContact CD2-CG 4.13Å; L107-Y177 HydrophobicContact CG-CE2 4.23Å; L107-F180 HydrophobicContact CD1-CB 4.49Å; L107-F180 HydrophobicContact CD1-CD2 4.15Å; L107-F180 HydrophobicContact CD1-CG 4.33Å; L107-F180 HydrophobicContact CD2-CD2 3.61Å; L107-F180 HydrophobicContact CD2-CE2 3.76Å; L107-F180 HydrophobicContact CG-CD2 4Å; L107-F180 HydrophobicContact CG-CE2 4.11Å; L107-F182 HydrophobicContact CD1-CD2 3.66Å; L107-F182 HydrophobicContact CD1-CE2 3.68Å |
| 108 | L | 88.9 | Confident | 89.6 | Confident | 78 Ų | 78 | 85 Ų | 85 | 41% | 0.408 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -79.6 | -40.1 | -174.2 | -64.8 | 177.5 | 0 | 0 | 0 | 112.9 | Q104 S105 Y106 M176 F180 | Q104-L108 HydrophobicContact CG-CD1 3.8Å; Q104-L108 HydrophobicContact CG-CG 4.37Å; Q104-L108 WeakPolarHBondContact O-CG 3.16Å; Q104-L108 PolarHBondContact O-N 3.41Å; S105-L108 PolarHBondContact O-N 2.94Å; Y106-L108 PolarHBondContact O-N 3.19Å; L108-M176 HydrophobicContact CD2-SD 4.47Å; L108-F180 HydrophobicContact CD2-CE2 4.34Å; L108-F180 HydrophobicContact CD2-CZ 4.14Å |
| 109 | Y | 87.3 | Confident | 89.2 | Confident | 186 Ų | 186 | 79 Ų | 79 | 73% | 0.729 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -102 | -19.9 | -171.2 | -59.8 | -66.3 | 0 | 0 | 0 | 114.5 | S105 R111 | S105-Y109 WeakPolarHBondContact O-CB 3.48Å; S105-Y109 VanDerWaalsContact O-CD2 3.22Å; S105-Y109 WeakPolarHBondContact O-CD2 3.44Å; S105-Y109 PolarHBondContact O-N 2.84Å; Y109-R111 PolarHBondContact O-N 2.77Å |
| 110 | S | 85.8 | Confident | 88.9 | Confident | 19 Ų | 19 | 75.8 Ų | 75.8 | 13% | 0.133 | 35% | 0.346 | C | S | . | . | trans | -67 | 138 | 174.2 | -175.6 | 0 | 0 | 0 | 0 | 110.2 | Y106 D112 Q115 K116 | Y106-S110 WeakPolarHBondContact O-CB 3.35Å; Y106-S110 PolarHBondContact O-N 3.46Å; S110-D112 PolarHBondContact OG-N 2.78Å; S110-Q115 PolarHBondContact OG-OE1 2.74Å; S110-K116 WeakPolarHBondContact O-CE 3.41Å; S110-K116 PolarHBondContact O-NZ 2.77Å | ||
| 111 | R | 83.1 | Confident | 88.7 | Confident | 252 Ų | 252 | 82.4 Ų | 82.4 | 95% | 0.951 | 38% | 0.375 | S | S | * | . | trans | -92.6 | -15.6 | 170.5 | -66.8 | -174.4 | 178 | -177.2 | -0.4 | 112.2 | Y109 | Y109-R111 PolarHBondContact O-N 2.77Š| ||
| 112 | D | 87.5 | Confident | 88.5 | Confident | 67 Ų | 67 | 81.3 Ų | 81.3 | 36% | 0.358 | 37% | 0.374 | S | S | . | . | trans | -87.7 | 114.6 | -176.6 | -176.5 | 3.3 | 0 | 0 | 0 | 110.6 | S110 V114 Q115 K116 | S110-D112 PolarHBondContact OG-N 2.78Å; D112-V114 VanDerWaalsContact C-N 3.28Å; D112-V114 PolarHBondContact O-N 3.46Å; D112-V114 WeakPolarHBondContact OD1-CB 3.49Å; D112-V114 PolarHBondContact OD1-N 3.26Å; D112-Q115 HydrophobicContact CB-CB 4.14Å; D112-Q115 HydrophobicContact CB-CG 4.08Å; D112-Q115 PolarHBondContact O-N 2.96Å; D112-Q115 WeakPolarHBondContact OD2-CG 3.45Å; D112-K116 WeakPolarHBondContact O-CG 3.29Å; D112-K116 PolarHBondContact O-N 3.42Å | ||
| 113 | R | 84.8 | Confident | 88.5 | Confident | 175 Ų | 175 | 79 Ų | 79 | 66% | 0.66 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.8 | -35.2 | 176.9 | -176.4 | 177.6 | 172.3 | 165.4 | 6.5 | 111.9 | Q115 K116 E117 F182 | R113-Q115 PolarHBondContact O-N 3.03Å; R113-K116 PolarHBondContact O-N 3.26Å; R113-E117 HydrophobicContact CG-CG 4.49Å; R113-E117 IonicContact CZ-OE1 3.66Å; R113-E117 IonicContact NE-OE1 3.79Å; R113-E117 PolarHBondContact NE-OE1 2.93Å; R113-E117 IonicContact NH2-OE1 3.63Å; R113-E117 WeakPolarHBondContact O-CG 3.44Å; R113-E117 PolarHBondContact O-N 3.03Å; R113-F182 HydrophobicContact CG-CE1 4.28Å |
| 114 | V | 84.4 | Confident | 88.5 | Confident | 85 Ų | 85 | 80.6 Ų | 80.6 | 52% | 0.515 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | -179.3 | -179.4 | 0 | 0 | 0 | 0 | 110 | D112 K116 E117 Q118 | D112-V114 VanDerWaalsContact C-N 3.28Å; D112-V114 PolarHBondContact O-N 3.46Å; D112-V114 WeakPolarHBondContact OD1-CB 3.49Å; D112-V114 PolarHBondContact OD1-N 3.26Å; V114-K116 VanDerWaalsContact C-N 3.33Å; V114-K116 PolarHBondContact O-N 3.06Å; V114-E117 PolarHBondContact O-N 2.93Å; V114-Q118 HydrophobicContact CG1-CG 4.43Å; V114-Q118 VanDerWaalsContact O-CG 3.3Å; V114-Q118 WeakPolarHBondContact O-CG 3.33Å; V114-Q118 PolarHBondContact O-N 3.45Å |
| 115 | Q | 82.5 | Confident | 88.5 | Confident | 105 Ų | 105 | 82.2 Ų | 82.2 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 175 | -75 | 176.4 | 0.5 | 0 | 0 | 112.6 | S110 D112 R113 Q118 L119 | S110-Q115 PolarHBondContact OG-OE1 2.74Å; D112-Q115 HydrophobicContact CB-CB 4.14Å; D112-Q115 HydrophobicContact CB-CG 4.08Å; D112-Q115 PolarHBondContact O-N 2.96Å; D112-Q115 WeakPolarHBondContact OD2-CG 3.45Å; R113-Q115 PolarHBondContact O-N 3.03Å; Q115-Q118 PolarHBondContact O-N 3.38Å; Q115-L119 WeakPolarHBondContact O-CB 3.43Å; Q115-L119 PolarHBondContact O-N 3.36Å |
| 116 | K | 87.3 | Confident | 88.6 | Confident | 33 Ų | 33 | 80 Ų | 80 | 14% | 0.143 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 176.4 | -65.2 | -178.2 | -172 | -162.7 | 0 | 112.1 | L107 S110 D112 R113 V114 L119 A120 F182 | L107-K116 HydrophobicContact CD1-CD 4.39Å; L107-K116 WeakPolarHBondContact O-CE 3.33Å; L107-K116 PolarHBondContact O-NZ 3.22Å; S110-K116 WeakPolarHBondContact O-CE 3.41Å; S110-K116 PolarHBondContact O-NZ 2.77Å; D112-K116 WeakPolarHBondContact O-CG 3.29Å; D112-K116 PolarHBondContact O-N 3.42Å; R113-K116 PolarHBondContact O-N 3.26Å; V114-K116 VanDerWaalsContact C-N 3.33Å; V114-K116 PolarHBondContact O-N 3.06Å; K116-L119 PolarHBondContact O-N 2.97Å; K116-A120 WeakPolarHBondContact O-CB 3.36Å; K116-A120 PolarHBondContact O-N 2.84Å; K116-F182 HydrophobicContact CB-CD2 4.48Å; K116-F182 HydrophobicContact CB-CE1 3.95Å; K116-F182 HydrophobicContact CB-CE2 3.88Å; K116-F182 HydrophobicContact CB-CZ 3.59Å; K116-F182 HydrophobicContact CD-CE2 3.9Å; K116-F182 HydrophobicContact CD-CZ 3.79Å; K116-F182 HydrophobicContact CG-CE2 4.47Å; K116-F182 HydrophobicContact CG-CZ 4.33Å |
| 117 | E | 88 | Confident | 88.9 | Confident | 67 Ų | 67 | 74.1 Ų | 74.1 | 31% | 0.313 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 176.6 | -72.9 | 174.8 | -170.6 | 0 | 0 | 112.1 | R113 V114 L119 A120 K121 F182 | R113-E117 HydrophobicContact CG-CG 4.49Å; R113-E117 IonicContact CZ-OE1 3.66Å; R113-E117 IonicContact NE-OE1 3.79Å; R113-E117 PolarHBondContact NE-OE1 2.93Å; R113-E117 IonicContact NH2-OE1 3.63Å; R113-E117 WeakPolarHBondContact O-CG 3.44Å; R113-E117 PolarHBondContact O-N 3.03Å; V114-E117 PolarHBondContact O-N 2.93Å; E117-L119 VanDerWaalsContact C-N 3.32Å; E117-L119 PolarHBondContact O-N 3.18Å; E117-A120 PolarHBondContact O-N 3.04Å; E117-K121 WeakPolarHBondContact O-CG 3.37Å; E117-K121 PolarHBondContact O-N 3Å; E117-F182 HydrophobicContact CG-CD1 3.72Å; E117-F182 HydrophobicContact CG-CE1 3.72Å |
| 118 | Q | 88 | Confident | 89.2 | Confident | 110 Ų | 110 | 77.7 Ų | 77.7 | 51% | 0.514 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 175 | -67.9 | -60.6 | -17.4 | 0 | 0 | 111.8 | V114 Q115 K121 A122 | V114-Q118 HydrophobicContact CG1-CG 4.43Å; V114-Q118 VanDerWaalsContact O-CG 3.3Å; V114-Q118 WeakPolarHBondContact O-CG 3.33Å; V114-Q118 PolarHBondContact O-N 3.45Å; Q115-Q118 PolarHBondContact O-N 3.38Å; Q118-K121 WeakPolarHBondContact O-CB 3.12Å; Q118-K121 PolarHBondContact O-N 3.14Å; Q118-A122 PolarHBondContact O-N 2.75Å; Q118-A122 VanDerWaalsContact O-N 3.14Å |
| 119 | L | 87.5 | Confident | 89.5 | Confident | 32 Ų | 32 | 79.1 Ų | 79.1 | 17% | 0.168 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.6 | -35.4 | 177.4 | -167.4 | 59.2 | 0 | 0 | 0 | 112 | F103 Y106 Q115 K116 E117 K121 A122 M123 Y177 | F103-L119 HydrophobicContact CD1-CD1 3.66Å; F103-L119 HydrophobicContact CD1-CD2 4.23Å; F103-L119 HydrophobicContact CD1-CG 3.63Å; F103-L119 HydrophobicContact CD2-CD1 4.35Å; F103-L119 HydrophobicContact CE1-CD1 3.43Å; F103-L119 VanDerWaalsContact CE1-CD1 3.43Å; F103-L119 HydrophobicContact CE1-CG 3.78Å; F103-L119 WeakPolarHBondContact CE1-O 3.32Å; F103-L119 HydrophobicContact CE2-CD1 4.18Å; F103-L119 HydrophobicContact CG-CD1 4.13Å; F103-L119 HydrophobicContact CG-CD2 4.5Å; F103-L119 HydrophobicContact CG-CG 4.3Å; F103-L119 HydrophobicContact CZ-CD1 3.72Å; Y106-L119 HydrophobicContact CD2-CD2 4.11Å; Y106-L119 HydrophobicContact CG-CD2 3.92Å; Q115-L119 WeakPolarHBondContact O-CB 3.43Å; Q115-L119 PolarHBondContact O-N 3.36Å; K116-L119 PolarHBondContact O-N 2.97Å; E117-L119 VanDerWaalsContact C-N 3.32Å; E117-L119 PolarHBondContact O-N 3.18Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 3.34Å; L119-A122 WeakPolarHBondContact O-CA 3.1Å; L119-A122 WeakPolarHBondContact O-CB 3.49Å; L119-A122 PolarHBondContact O-N 2.82Å; L119-M123 PolarHBondContact O-N 2.82Å; L119-Y177 WeakPolarHBondContact CD2-OH 3.37Å; L119-Y177 WeakPolarHBondContact CG-OH 3.22Å |
| 120 | A | 89.7 | Confident | 89.9 | Confident | 7 Ų | 7 | 70.2 Ų | 70.2 | 6% | 0.058 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K116 E117 A122 M123 Y177 F182 V183 | K116-A120 WeakPolarHBondContact O-CB 3.36Å; K116-A120 PolarHBondContact O-N 2.84Å; E117-A120 PolarHBondContact O-N 3.04Å; A120-A122 PolarHBondContact O-N 3.34Å; A120-M123 WeakPolarHBondContact O-CB 3.19Å; A120-M123 PolarHBondContact O-N 3.4Å; A120-Y177 HydrophobicContact CB-CD1 3.87Å; A120-Y177 HydrophobicContact CB-CE1 4.12Å; A120-F182 HydrophobicContact CB-CB 3.67Å; A120-V183 HydrophobicContact CB-CG2 4.2Å |
| 121 | K | 90.1 | Very high | 90.5 | Very high | 139 Ų | 139 | 72.7 Ų | 72.7 | 60% | 0.604 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65 | -24.5 | 172.5 | -70 | 174 | -176.9 | 176.9 | 0 | 113.4 | E117 Q118 L119 M123 P124 | E117-K121 WeakPolarHBondContact O-CG 3.37Å; E117-K121 PolarHBondContact O-N 3Å; Q118-K121 WeakPolarHBondContact O-CB 3.12Å; Q118-K121 PolarHBondContact O-N 3.14Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 3.34Å; K121-M123 VanDerWaalsContact C-N 3.34Å; K121-P124 WeakPolarHBondContact O-CD 3.24Å |
| 122 | A | 92.4 | Very high | 91.1 | Very high | 36 Ų | 36 | 64.9 Ų | 64.9 | 30% | 0.298 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -82.9 | -10 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | F103 Q118 L119 A120 T125 F126 | F103-A122 HydrophobicContact CE1-CB 4.3Å; F103-A122 HydrophobicContact CZ-CB 4.16Å; Q118-A122 PolarHBondContact O-N 2.75Å; Q118-A122 VanDerWaalsContact O-N 3.14Å; L119-A122 WeakPolarHBondContact O-CA 3.1Å; L119-A122 WeakPolarHBondContact O-CB 3.49Å; L119-A122 PolarHBondContact O-N 2.82Å; A120-A122 PolarHBondContact O-N 3.34Å; A122-T125 WeakPolarHBondContact O-CB 3.43Å; A122-T125 PolarHBondContact O-N 3.31Å; A122-F126 PolarHBondContact O-N 3.22Å |
| 123 | M | 92.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.4 | -48.8 | -178.8 | -170.6 | 69.4 | 71.7 | 0 | 0 | 113.1 | F103 L119 A120 K121 T125 F126 L127 L173 V174 Y177 I193 | F103-M123 HydrophobicContact CD1-CE 3.9Å; F103-M123 HydrophobicContact CD1-SD 4.32Å; F103-M123 HydrophobicContact CE1-CE 4.4Å; F103-M123 HydrophobicContact CE1-SD 4.43Å; L119-M123 PolarHBondContact O-N 2.82Å; A120-M123 WeakPolarHBondContact O-CB 3.19Å; A120-M123 PolarHBondContact O-N 3.4Å; K121-M123 VanDerWaalsContact C-N 3.34Å; M123-T125 VanDerWaalsContact C-N 3.28Å; M123-T125 PolarHBondContact O-N 3.23Å; M123-F126 PolarHBondContact O-N 3.41Å; M123-F126 VanDerWaalsContact O-N 3.14Å; M123-F126 HydrophobicContact SD-CD1 4.49Å; M123-L127 HydrophobicContact CG-CD1 4.46Å; M123-L127 WeakPolarHBondContact O-CG 3.49Å; M123-L127 PolarHBondContact O-N 2.95Å; M123-L173 HydrophobicContact CE-CD1 4.35Å; M123-L173 HydrophobicContact CE-CD2 3.96Å; M123-L173 HydrophobicContact CE-CG 3.73Å; M123-L173 HydrophobicContact SD-CD2 3.8Å; M123-L173 HydrophobicContact SD-CG 4.07Å; M123-V174 HydrophobicContact CG-CG2 4.17Å; M123-V174 HydrophobicContact SD-CG2 4.21Å; M123-Y177 HydrophobicContact CE-CD1 4.01Å; M123-Y177 HydrophobicContact CE-CD2 3.25Å; M123-Y177 HydrophobicContact CE-CE1 4.17Å; M123-Y177 HydrophobicContact CE-CE2 3.46Å; M123-Y177 VanDerWaalsContact CE-CE2 3.46Å; M123-Y177 HydrophobicContact CE-CG 3.55Å; M123-I193 HydrophobicContact CB-CD1 3.86Å; M123-I193 HydrophobicContact CG-CD1 3.77Å |
| 124 | P | 92.8 | Very high | 92.1 | Very high | 57 Ų | 57 | 54.2 Ų | 54.2 | 37% | 0.37 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.7 | -43 | 176.5 | -21 | 32 | 0 | 0 | 0 | 111.8 | K121 F126 L127 T128 I193 | K121-P124 WeakPolarHBondContact O-CD 3.24Å; P124-F126 VanDerWaalsContact C-N 3.33Å; P124-F126 PolarHBondContact O-N 3.21Å; P124-L127 PolarHBondContact O-N 2.93Å; P124-T128 PolarHBondContact O-N 3.33Å; P124-T128 PolarHBondContact O-OG1 3.43Å; P124-I193 HydrophobicContact CB-CD1 4.5Å; P124-I193 HydrophobicContact CG-CD1 3.63Å; P124-I193 HydrophobicContact CG-CG1 4.09Å |
| 125 | T | 93.9 | Very high | 92.7 | Very high | 89 Ų | 89 | 54 Ų | 54 | 55% | 0.546 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61 | -42 | 177.4 | -51 | 0 | 0 | 0 | 0 | 111.7 | A122 M123 T128 M129 | A122-T125 WeakPolarHBondContact O-CB 3.43Å; A122-T125 PolarHBondContact O-N 3.31Å; M123-T125 VanDerWaalsContact C-N 3.28Å; M123-T125 PolarHBondContact O-N 3.23Å; T125-T128 PolarHBondContact O-N 2.93Å; T125-M129 VanDerWaalsContact O-CG 3.32Å; T125-M129 WeakPolarHBondContact O-CG 3.08Å; T125-M129 PolarHBondContact O-N 3.21Å |
| 126 | F | 95.4 | Very high | 93.3 | Very high | 5 Ų | 5 | 54.8 Ų | 54.8 | 2% | 0.022 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 176.5 | 177 | -122.8 | 0 | 0 | 0 | 111.9 | L96 K99 A100 F103 A122 M123 P124 T128 M129 C130 L170 L173 | L96-F126 HydrophobicContact CD2-CE2 4.48Å; K99-F126 HydrophobicContact CB-CD2 4.42Å; K99-F126 HydrophobicContact CB-CE2 3.55Å; K99-F126 HydrophobicContact CB-CZ 3.89Å; K99-F126 HydrophobicContact CG-CE2 4.44Å; A100-F126 HydrophobicContact CB-CE1 4.09Å; A100-F126 HydrophobicContact CB-CZ 4.14Å; F103-F126 HydrophobicContact CE1-CB 4.44Å; F103-F126 HydrophobicContact CE2-CB 4.14Å; F103-F126 HydrophobicContact CE2-CD1 4.35Å; F103-F126 HydrophobicContact CE2-CD2 4.33Å; F103-F126 HydrophobicContact CE2-CG 4.01Å; F103-F126 HydrophobicContact CZ-CB 3.78Å; F103-F126 HydrophobicContact CZ-CG 4.14Å; A122-F126 PolarHBondContact O-N 3.22Å; M123-F126 PolarHBondContact O-N 3.41Å; M123-F126 VanDerWaalsContact O-N 3.14Å; M123-F126 HydrophobicContact SD-CD1 4.49Å; P124-F126 VanDerWaalsContact C-N 3.33Å; P124-F126 PolarHBondContact O-N 3.21Å; F126-T128 PolarHBondContact O-N 3.46Å; F126-M129 HydrophobicContact CD2-CE 4.45Å; F126-M129 WeakPolarHBondContact O-CB 3.49Å; F126-M129 PolarHBondContact O-N 3.33Å; F126-C130 PolarHBondContact O-N 3.14Å; F126-C130 PolarHBondContact O-SG 3.45Å; F126-L170 HydrophobicContact CD1-CD2 4.15Å; F126-L170 HydrophobicContact CE1-CD2 3.42Å; F126-L170 VanDerWaalsContact CE1-CD2 3.42Å; F126-L170 HydrophobicContact CZ-CD2 4.01Å; F126-L173 HydrophobicContact CD1-CD2 4.22Å; F126-L173 HydrophobicContact CE1-CD2 3.96Å |
| 127 | L | 95.9 | Very high | 93.7 | Very high | 14 Ų | 14 | 53.2 Ų | 53.2 | 7% | 0.073 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 174.6 | -65.1 | 171.4 | 0 | 0 | 0 | 111.3 | M123 P124 M129 C130 E131 L170 V174 I193 F196 | M123-L127 HydrophobicContact CG-CD1 4.46Å; M123-L127 WeakPolarHBondContact O-CG 3.49Å; M123-L127 PolarHBondContact O-N 2.95Å; P124-L127 PolarHBondContact O-N 2.93Å; L127-M129 VanDerWaalsContact C-N 3.29Å; L127-M129 PolarHBondContact O-N 3.16Å; L127-C130 WeakPolarHBondContact O-CB 3.39Å; L127-C130 PolarHBondContact O-N 3Å; L127-E131 PolarHBondContact O-N 3.49Å; L127-L170 HydrophobicContact CD2-CB 4.06Å; L127-L170 HydrophobicContact CD2-CD1 4.04Å; L127-L170 HydrophobicContact CD2-CD2 4.16Å; L127-L170 HydrophobicContact CD2-CG 4.31Å; L127-V174 HydrophobicContact CD1-CG2 4.07Å; L127-V174 HydrophobicContact CD2-CG2 4.29Å; L127-I193 HydrophobicContact CD1-CG2 3.38Å; L127-F196 HydrophobicContact CD1-CB 4.19Å; L127-F196 HydrophobicContact CD2-CB 4.34Å; L127-F196 HydrophobicContact CD2-CG 4.34Å |
| 128 | T | 95 | Very high | 94 | Very high | 75 Ų | 75 | 50 Ų | 50 | 46% | 0.46 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.6 | -36.2 | 175.3 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | P124 T125 F126 C130 E131 | P124-T128 PolarHBondContact O-N 3.33Å; P124-T128 PolarHBondContact O-OG1 3.43Å; T125-T128 PolarHBondContact O-N 2.93Å; F126-T128 PolarHBondContact O-N 3.46Å; T128-C130 PolarHBondContact O-N 3.42Å; T128-E131 WeakPolarHBondContact CA-OE1 3.32Å; T128-E131 WeakPolarHBondContact O-CB 3.19Å; T128-E131 WeakPolarHBondContact O-CG 2.81Å; T128-E131 PolarHBondContact O-N 2.89Å; T128-E131 VanDerWaalsContact O-N 3.14Å; T128-E131 PolarHBondContact OG1-OE1 3.19Å |
| 129 | M | 95.3 | Very high | 94.3 | Very high | 108 Ų | 108 | 46.4 Ų | 46.4 | 53% | 0.532 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.6 | -23.1 | 174.2 | -68.9 | -145.4 | -55.2 | 0 | 0 | 113.6 | T125 F126 L127 | T125-M129 VanDerWaalsContact O-CG 3.32Å; T125-M129 WeakPolarHBondContact O-CG 3.08Å; T125-M129 PolarHBondContact O-N 3.21Å; F126-M129 HydrophobicContact CD2-CE 4.45Å; F126-M129 WeakPolarHBondContact O-CB 3.49Å; F126-M129 PolarHBondContact O-N 3.33Å; L127-M129 VanDerWaalsContact C-N 3.29Å; L127-M129 PolarHBondContact O-N 3.16Å |
| 130 | C | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -79.6 | -20.7 | 174.5 | -64.2 | 0 | 0 | 0 | 0 | 112.9 | F126 L127 T128 Y133 F134 L166 L170 | F126-C130 PolarHBondContact O-N 3.14Å; F126-C130 PolarHBondContact O-SG 3.45Å; L127-C130 WeakPolarHBondContact O-CB 3.39Å; L127-C130 PolarHBondContact O-N 3Å; T128-C130 PolarHBondContact O-N 3.42Å; C130-Y133 WeakPolarHBondContact O-CB 3.47Å; C130-Y133 PolarHBondContact O-N 2.87Å; C130-Y133 VanDerWaalsContact O-N 3.09Å; C130-F134 HydrophobicContact CB-CD2 4.07Å; C130-F134 HydrophobicContact CB-CE2 3.88Å; C130-F134 WeakPolarHBondContact O-CD2 2.98Å; C130-F134 PolarHBondContact O-N 2.87Å; C130-L166 HydrophobicContact CB-CD2 4.39Å; C130-L170 HydrophobicContact CB-CD1 4.01Å |
| 131 | E | 96.7 | Very high | 94.6 | Very high | 70 Ų | 70 | 47.8 Ų | 47.8 | 33% | 0.327 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57 | -45 | -173.6 | -62.3 | 177.2 | -169.3 | 0 | 0 | 114.4 | L127 T128 Y133 F134 L135 F197 | L127-E131 PolarHBondContact O-N 3.49Å; T128-E131 WeakPolarHBondContact CA-OE1 3.32Å; T128-E131 WeakPolarHBondContact O-CB 3.19Å; T128-E131 WeakPolarHBondContact O-CG 2.81Å; T128-E131 PolarHBondContact O-N 2.89Å; T128-E131 VanDerWaalsContact O-N 3.14Å; T128-E131 PolarHBondContact OG1-OE1 3.19Å; E131-Y133 PolarHBondContact O-N 3.19Å; E131-F134 PolarHBondContact O-N 2.92Å; E131-L135 WeakPolarHBondContact O-CB 3.4Å; E131-L135 PolarHBondContact O-N 2.89Å; E131-F197 HydrophobicContact CB-CD1 3.78Å; E131-F197 HydrophobicContact CB-CE1 4.24Å; E131-F197 HydrophobicContact CG-CB 4.1Å; E131-F197 HydrophobicContact CG-CD1 3.78Å; E131-F197 HydrophobicContact CG-CG 4.36Å |
| 132 | P | 96.3 | Very high | 94.7 | Very high | 88 Ų | 88 | 42.7 Ų | 42.7 | 57% | 0.571 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -63 | -31.7 | 178.9 | -22 | 34.1 | 0 | 0 | 0 | 112.6 | Y136 | P132-Y136 PolarHBondContact O-N 3.39Å; P132-Y136 VanDerWaalsContact O-N 3.08Å |
| 133 | Y | 96.9 | Very high | 94.5 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 8% | 0.075 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.1 | -44.2 | 177.9 | -172.9 | -111 | 0 | 0 | 0 | 111 | I89 Q92 L93 L96 C130 E131 L135 Y136 L137 I162 L166 | I89-Y133 HydrophobicContact CG2-CE2 4.16Å; I89-Y133 WeakPolarHBondContact CG2-OH 3.41Å; I89-Y133 PolarHBondContact O-OH 2.78Å; Q92-Y133 HydrophobicContact CB-CD2 4.2Å; Q92-Y133 HydrophobicContact CB-CE2 3.73Å; Q92-Y133 HydrophobicContact CG-CD2 3.54Å; Q92-Y133 HydrophobicContact CG-CE2 3.6Å; Q92-Y133 HydrophobicContact CG-CG 4.31Å; L93-Y133 HydrophobicContact CB-CE1 4.48Å; L93-Y133 WeakPolarHBondContact CB-OH 3.49Å; L93-Y133 HydrophobicContact CD1-CE1 4.41Å; L96-Y133 HydrophobicContact CD1-CD1 3.58Å; L96-Y133 HydrophobicContact CD1-CE1 4.15Å; L96-Y133 HydrophobicContact CD1-CG 3.82Å; C130-Y133 WeakPolarHBondContact O-CB 3.47Å; C130-Y133 PolarHBondContact O-N 2.87Å; C130-Y133 VanDerWaalsContact O-N 3.09Å; E131-Y133 PolarHBondContact O-N 3.19Å; Y133-L135 VanDerWaalsContact C-N 3.35Å; Y133-L135 PolarHBondContact O-N 2.81Å; Y133-Y136 PolarHBondContact O-N 3.38Å; Y133-L137 HydrophobicContact CD1-CD1 3.84Å; Y133-L137 HydrophobicContact CD1-CG 4.49Å; Y133-L137 HydrophobicContact CE1-CD1 3.52Å; Y133-L137 HydrophobicContact CE1-CG 4.26Å; Y133-L137 WeakPolarHBondContact O-CG 3.43Å; Y133-L137 PolarHBondContact O-N 2.81Å; Y133-I162 HydrophobicContact CE1-CG2 4.03Å; Y133-I162 WeakPolarHBondContact OH-CG2 3.38Å; Y133-L166 HydrophobicContact CD1-CD2 3.58Å; Y133-L166 HydrophobicContact CE1-CD2 4.01Å |
| 134 | F | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 171.6 | -79.3 | -59.3 | 0 | 0 | 0 | 112.5 | C130 E131 Y136 L137 E138 L166 T167 L170 F196 F197 | C130-F134 HydrophobicContact CB-CD2 4.07Å; C130-F134 HydrophobicContact CB-CE2 3.88Å; C130-F134 WeakPolarHBondContact O-CD2 2.98Å; C130-F134 PolarHBondContact O-N 2.87Å; E131-F134 PolarHBondContact O-N 2.92Å; F134-Y136 VanDerWaalsContact C-N 3.31Å; F134-Y136 PolarHBondContact O-N 3.44Å; F134-L137 PolarHBondContact O-N 3.37Å; F134-E138 VanDerWaalsContact O-CB 3.31Å; F134-E138 WeakPolarHBondContact O-CB 3.36Å; F134-E138 WeakPolarHBondContact O-CG 3.43Å; F134-E138 PolarHBondContact O-N 2.93Å; F134-L166 HydrophobicContact CD2-CD2 4.48Å; F134-L166 HydrophobicContact CE1-CB 4.15Å; F134-L166 HydrophobicContact CE1-CD2 3.95Å; F134-L166 HydrophobicContact CE1-CG 4.13Å; F134-L166 HydrophobicContact CE2-CD2 3.92Å; F134-L166 HydrophobicContact CE2-CG 4.23Å; F134-L166 HydrophobicContact CZ-CB 4.07Å; F134-L166 HydrophobicContact CZ-CD2 3.62Å; F134-L166 HydrophobicContact CZ-CG 3.61Å; F134-T167 VanDerWaalsContact CE1-OG1 3.24Å; F134-T167 WeakPolarHBondContact CE1-OG1 3.28Å; F134-L170 HydrophobicContact CE2-CD1 3.61Å; F134-L170 HydrophobicContact CZ-CD1 3.83Å; F134-F196 HydrophobicContact CE2-CE2 4.41Å; F134-F196 HydrophobicContact CZ-CE2 4.35Å; F134-F197 WeakPolarHBondContact CD2-O 3.37Å |
| 135 | L | 96.3 | Very high | 91.8 | Very high | 81 Ų | 81 | 48.9 Ų | 48.9 | 42% | 0.424 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -55.3 | -48.2 | 177.4 | -172.1 | 109.9 | 0 | 0 | 0 | 111 | E131 Y133 A139 F197 R200 | E131-L135 WeakPolarHBondContact O-CB 3.4Å; E131-L135 PolarHBondContact O-N 2.89Å; Y133-L135 VanDerWaalsContact C-N 3.35Å; Y133-L135 PolarHBondContact O-N 2.81Å; L135-A139 WeakPolarHBondContact O-CB 3.06Å; L135-A139 PolarHBondContact O-N 2.83Å; L135-F197 HydrophobicContact CB-CE1 4.49Å; L135-F197 HydrophobicContact CD1-CZ 4.21Å; L135-R200 HydrophobicContact CD1-CB 4.01Å |
| 136 | Y | 95.3 | Very high | 90.2 | Very high | 121 Ų | 121 | 48.5 Ų | 48.5 | 48% | 0.475 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.3 | -50.9 | 177.8 | 170.7 | -101.2 | 0 | 0 | 0 | 112.5 | I89 P132 Y133 F134 E138 A140 | I89-Y136 HydrophobicContact CD1-CE1 3.8Å; I89-Y136 HydrophobicContact CG1-CE1 3.95Å; P132-Y136 PolarHBondContact O-N 3.39Å; P132-Y136 VanDerWaalsContact O-N 3.08Å; Y133-Y136 PolarHBondContact O-N 3.38Å; F134-Y136 VanDerWaalsContact C-N 3.31Å; F134-Y136 PolarHBondContact O-N 3.44Å; Y136-E138 VanDerWaalsContact C-N 3.34Å; Y136-E138 PolarHBondContact O-N 2.93Å; Y136-A140 WeakPolarHBondContact O-CB 3.4Å; Y136-A140 PolarHBondContact O-N 2.9Å |
| 137 | L | 95.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.1 | -45.8 | -177.4 | -68 | 174.5 | 0 | 0 | 0 | 111.9 | I89 Y133 F134 A141 L159 I162 | I89-L137 HydrophobicContact CG2-CD2 3.71Å; Y133-L137 HydrophobicContact CD1-CD1 3.84Å; Y133-L137 HydrophobicContact CD1-CG 4.49Å; Y133-L137 HydrophobicContact CE1-CD1 3.52Å; Y133-L137 HydrophobicContact CE1-CG 4.26Å; Y133-L137 WeakPolarHBondContact O-CG 3.43Å; Y133-L137 PolarHBondContact O-N 2.81Å; F134-L137 PolarHBondContact O-N 3.37Å; L137-A141 WeakPolarHBondContact O-CB 3.27Å; L137-A141 PolarHBondContact O-N 2.81Å; L137-L159 HydrophobicContact CD2-CB 4.39Å; L137-L159 HydrophobicContact CD2-CD2 3.75Å; L137-I162 HydrophobicContact CD1-CB 4.44Å; L137-I162 HydrophobicContact CD1-CG2 3.69Å; L137-I162 HydrophobicContact CD2-CB 4.42Å; L137-I162 HydrophobicContact CD2-CG2 3.92Å; L137-I162 HydrophobicContact CG-CG2 4.48Å |
| 138 | E | 95.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -77.9 | -40.6 | -171.3 | -64.8 | -89.6 | 149 | 0 | 0 | 111.2 | F134 Y136 A141 R142 S163 C198 I211 H322 | F134-E138 VanDerWaalsContact O-CB 3.31Å; F134-E138 WeakPolarHBondContact O-CB 3.36Å; F134-E138 WeakPolarHBondContact O-CG 3.43Å; F134-E138 PolarHBondContact O-N 2.93Å; Y136-E138 VanDerWaalsContact C-N 3.34Å; Y136-E138 PolarHBondContact O-N 2.93Å; E138-A141 PolarHBondContact O-N 2.96Å; E138-R142 WeakPolarHBondContact O-CB 3.36Å; E138-R142 PolarHBondContact O-N 2.89Å; E138-R142 IonicContact OE1-NH1 3.18Å; E138-R142 PolarHBondContact OE1-NH1 2.85Å; E138-R142 IonicContact OE2-CZ 3.07Å; E138-R142 IonicContact OE2-NH1 2.6Å; E138-R142 PolarHBondContact OE2-NH1 2.94Å; E138-S163 WeakPolarHBondContact OE1-CB 3.11Å; E138-S163 PolarHBondContact OE1-OG 3.34Å; E138-C198 VanDerWaalsContact CG-O 3.31Å; E138-C198 WeakPolarHBondContact CG-O 3.18Å; E138-I211 HydrophobicContact CG-CD1 4.42Å; E138-I211 WeakPolarHBondContact OE2-CD1 3.43Å; E138-H322 IonicContact OE1-CD2 2.69Å; E138-H322 IonicContact OE1-CE1 3.88Å; E138-H322 IonicContact OE1-NE2 2.81Å; E138-H322 PolarHBondContact OE1-NE2 2.67Å; E138-H322 IonicContact OE2-NE2 3.05Å |
| 139 | A | 94.1 | Very high | 85.7 | Confident | 33 Ų | 33 | 61.2 Ų | 61.2 | 27% | 0.273 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65 | -45.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L135 A141 R142 S143 R200 | L135-A139 WeakPolarHBondContact O-CB 3.06Å; L135-A139 PolarHBondContact O-N 2.83Å; A139-A141 VanDerWaalsContact C-N 3.28Å; A139-A141 PolarHBondContact O-N 2.85Å; A139-R142 PolarHBondContact O-N 2.93Å; A139-S143 VanDerWaalsContact O-CB 3.26Å; A139-S143 WeakPolarHBondContact O-CB 3.32Å; A139-S143 PolarHBondContact O-N 3.01Å; A139-S143 PolarHBondContact O-OG 3.03Å; A139-R200 PolarHBondContact N-O 3.36Å |
| 140 | A | 91.8 | Very high | 85 | Confident | 57 Ų | 57 | 60.5 Ų | 60.5 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.9 | -30 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y136 L159 | Y136-A140 WeakPolarHBondContact O-CB 3.4Å; Y136-A140 PolarHBondContact O-N 2.9Å; A140-L159 HydrophobicContact CB-CD1 3.88Å |
| 141 | A | 91.7 | Very high | 84.3 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 10% | 0.099 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -82.3 | -32.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L137 E138 A139 R156 L159 L160 | L137-A141 WeakPolarHBondContact O-CB 3.27Å; L137-A141 PolarHBondContact O-N 2.81Å; E138-A141 PolarHBondContact O-N 2.96Å; A139-A141 VanDerWaalsContact C-N 3.28Å; A139-A141 PolarHBondContact O-N 2.85Å; A141-R156 HydrophobicContact CB-CG 4.11Å; A141-R156 WeakPolarHBondContact O-CG 3.31Å; A141-L159 HydrophobicContact CB-CB 4.12Å; A141-L159 HydrophobicContact CB-CD1 4.3Å; A141-L160 HydrophobicContact CB-CD1 4.38Å; A141-L160 HydrophobicContact CB-CD2 3.41Å; A141-L160 VanDerWaalsContact CB-CD2 3.41Å; A141-L160 HydrophobicContact CB-CG 3.76Å |
| 142 | R | 91.3 | Very high | 83.6 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 12% | 0.117 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -119.9 | -16.2 | -167.2 | -63.6 | -164.4 | 179.3 | 82.3 | -9.1 | 116.8 | E138 A139 F201 D327 | E138-R142 WeakPolarHBondContact O-CB 3.36Å; E138-R142 PolarHBondContact O-N 2.89Å; E138-R142 IonicContact OE1-NH1 3.18Å; E138-R142 PolarHBondContact OE1-NH1 2.85Å; E138-R142 IonicContact OE2-CZ 3.07Å; E138-R142 IonicContact OE2-NH1 2.6Å; E138-R142 PolarHBondContact OE2-NH1 2.94Å; A139-R142 PolarHBondContact O-N 2.93Å; R142-F201 HydrophobicContact CB-CB 3.92Å; R142-F201 HydrophobicContact CB-CD1 4.28Å; R142-F201 HydrophobicContact CB-CD2 3.35Å; R142-F201 HydrophobicContact CB-CE2 3.84Å; R142-F201 HydrophobicContact CB-CG 3.59Å; R142-F201 HydrophobicContact CG-CD2 4.34Å; R142-F201 HydrophobicContact CG-CE2 4.48Å; R142-F201 HydrophobicContact CG-CG 4.44Å; R142-D327 IonicContact CZ-OD1 3.23Å; R142-D327 IonicContact NE-OD1 2.97Å; R142-D327 PolarHBondContact NE-OD1 3.34Å; R142-D327 IonicContact NH2-OD1 3.11Å; R142-D327 PolarHBondContact NH2-OD1 3.24Å |
| 143 | S | 88.7 | Confident | 83.1 | Confident | 50 Ų | 50 | 65.8 Ų | 65.8 | 35% | 0.35 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -74.3 | 141.1 | -179.7 | -61 | 0 | 0 | 0 | 0 | 113.1 | A139 S202 | A139-S143 VanDerWaalsContact O-CB 3.26Å; A139-S143 WeakPolarHBondContact O-CB 3.32Å; A139-S143 PolarHBondContact O-N 3.01Å; A139-S143 PolarHBondContact O-OG 3.03Å; S143-S202 WeakPolarHBondContact CA-O 3.4Å; S143-S202 PolarHBondContact OG-N 3.06Å |
| 144 | V | 70 | Confident | 82.7 | Confident | 86 Ų | 86 | 69.3 Ų | 69.3 | 52% | 0.521 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -66.5 | 156.9 | -169.1 | 164.2 | 0 | 0 | 0 | 0 | 116.2 | I203 | V144-I203 WeakPolarHBondContact CG2-O 3.25Š|
| 145 | P | 58.2 | Low | 82.2 | Confident | 87 Ų | 87 | 70.8 Ų | 70.8 | 57% | 0.565 | 40% | 0.399 | S | S | * | . | cis | -110.6 | 162.4 | 3.4 | 13.6 | 8.8 | 0 | 0 | 0 | 116.5 | I147 | P145-I147 PolarHBondContact O-N 3.49Å; P145-I147 VanDerWaalsContact O-N 3.12Å | ||
| 146 | P | 61.2 | Low | 81.9 | Confident | 82 Ų | 82 | 69.9 Ų | 69.9 | 53% | 0.532 | 39% | 0.39 | S | S | . | . | trans | -81.6 | 93.6 | -175.9 | 33.6 | -31.3 | 0 | 0 | 0 | 110.5 | Y148 | P146-Y148 VanDerWaalsContact C-N 3.3Å; P146-Y148 HydrophobicContact CB-CD2 3.65Å; P146-Y148 HydrophobicContact CB-CE2 3.38Å; P146-Y148 HydrophobicContact CG-CE2 4.26Å; P146-Y148 PolarHBondContact O-N 2.86Å | ||
| 147 | I | 54.3 | Low | 81.8 | Confident | 135 Ų | 135 | 70.4 Ų | 70.4 | 69% | 0.692 | 40% | 0.395 | S | S | * | . | trans | -91.9 | 76.7 | 159.8 | -54.8 | 175.5 | 0 | 0 | 0 | 105.6 | P145 G149 Q152 | P145-I147 PolarHBondContact O-N 3.49Å; P145-I147 VanDerWaalsContact O-N 3.12Å; I147-G149 PolarHBondContact O-N 2.74Å; I147-Q152 PolarHBondContact O-OE1 3.32Å | ||
| 148 | Y | 63 | Low | 81.6 | Confident | 190 Ų | 190 | 71.2 Ų | 71.2 | 75% | 0.745 | 40% | 0.404 | S | S | * | . | trans | -57.4 | 97.3 | -175.1 | -81.1 | -76.2 | 0 | 0 | 0 | 111.6 | P146 | P146-Y148 VanDerWaalsContact C-N 3.3Å; P146-Y148 HydrophobicContact CB-CD2 3.65Å; P146-Y148 HydrophobicContact CB-CE2 3.38Å; P146-Y148 HydrophobicContact CG-CE2 4.26Å; P146-Y148 PolarHBondContact O-N 2.86Å | ||
| 149 | G | 74.8 | Confident | 81.6 | Confident | 35 Ų | 35 | 71.5 Ų | 71.5 | 36% | 0.361 | 41% | 0.405 | S | S | . | . | trans | -110.8 | 149.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | I147 L151 Q152 E153 | I147-G149 PolarHBondContact O-N 2.74Å; G149-L151 PolarHBondContact O-N 2.79Å; G149-L151 VanDerWaalsContact O-N 3.13Å; G149-Q152 PolarHBondContact O-N 2.82Å; G149-E153 PolarHBondContact O-N 3.38Å; G149-E153 VanDerWaalsContact O-N 3.15Å | ||
| 150 | A | 80.3 | Confident | 81.6 | Confident | 94 Ų | 94 | 70.1 Ų | 70.1 | 78% | 0.777 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -55 | -33.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L154 | A150-L154 WeakPolarHBondContact O-CB 3.43Å; A150-L154 PolarHBondContact O-N 2.96Å; A150-L154 VanDerWaalsContact O-N 3.16Å |
| 151 | L | 80.9 | Confident | 81.7 | Confident | 104 Ų | 104 | 73.5 Ų | 73.5 | 55% | 0.545 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 177.1 | -174.6 | 63.5 | 0 | 0 | 0 | 112.5 | L82 G149 E153 L154 V155 | L82-L151 HydrophobicContact CD1-CD1 4.21Å; L82-L151 HydrophobicContact CD2-CD1 3.78Å; L82-L151 HydrophobicContact CG-CD1 4.25Å; G149-L151 PolarHBondContact O-N 2.79Å; G149-L151 VanDerWaalsContact O-N 3.13Å; L151-E153 VanDerWaalsContact C-N 3.34Å; L151-L154 PolarHBondContact O-N 3.24Å; L151-V155 WeakPolarHBondContact O-CG2 3.3Å; L151-V155 PolarHBondContact O-N 3.06Å |
| 152 | Q | 82.3 | Confident | 81.9 | Confident | 100 Ų | 100 | 73.7 Ų | 73.7 | 47% | 0.467 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 179.8 | -175.4 | 173.3 | -7.8 | 0 | 0 | 111.1 | I147 G149 L154 V155 R156 | I147-Q152 PolarHBondContact O-OE1 3.32Å; G149-Q152 PolarHBondContact O-N 2.82Å; Q152-L154 VanDerWaalsContact C-N 3.33Å; Q152-L154 PolarHBondContact O-N 3.27Å; Q152-V155 PolarHBondContact O-N 2.93Å; Q152-R156 WeakPolarHBondContact O-CB 3.34Å; Q152-R156 PolarHBondContact O-N 2.94Å |
| 153 | E | 86.3 | Confident | 82.1 | Confident | 65 Ų | 65 | 72.2 Ų | 72.2 | 30% | 0.304 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.8 | -37.8 | 176 | -174.1 | 54.4 | -147.2 | 0 | 0 | 112 | G149 L151 R156 K157 | G149-E153 PolarHBondContact O-N 3.38Å; G149-E153 VanDerWaalsContact O-N 3.15Å; L151-E153 VanDerWaalsContact C-N 3.34Å; E153-R156 PolarHBondContact O-N 3.48Å; E153-R156 IonicContact OE1-CZ 2.52Å; E153-R156 VanDerWaalsContact OE1-CZ 3.23Å; E153-R156 IonicContact OE1-NE 3.55Å; E153-R156 PolarHBondContact OE1-NE 3.02Å; E153-R156 IonicContact OE1-NH2 3.36Å; E153-R156 PolarHBondContact OE1-NH2 3.47Å; E153-R156 IonicContact OE2-CZ 3.4Å; E153-R156 IonicContact OE2-NE 3.43Å; E153-R156 PolarHBondContact OE2-NE 2.7Å; E153-R156 VanDerWaalsContact OE2-NE 3.11Å; E153-K157 WeakPolarHBondContact O-CB 3.46Å; E153-K157 PolarHBondContact O-N 3.01Å |
| 154 | L | 87.5 | Confident | 82.4 | Confident | 92 Ų | 92 | 71.2 Ų | 71.2 | 48% | 0.482 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 174.2 | -167.8 | 81.9 | 0 | 0 | 0 | 111.7 | L82 A150 L151 Q152 K157 G158 | L82-L154 HydrophobicContact CD1-CD2 3.24Å; L82-L154 HydrophobicContact CD2-CD2 4.36Å; L82-L154 HydrophobicContact CG-CD2 4.42Å; A150-L154 WeakPolarHBondContact O-CB 3.43Å; A150-L154 PolarHBondContact O-N 2.96Å; A150-L154 VanDerWaalsContact O-N 3.16Å; L151-L154 PolarHBondContact O-N 3.24Å; Q152-L154 VanDerWaalsContact C-N 3.33Å; Q152-L154 PolarHBondContact O-N 3.27Å; L154-K157 PolarHBondContact O-N 3.38Å; L154-G158 PolarHBondContact O-N 3.22Å |
| 155 | V | 88.1 | Confident | 83.7 | Confident | 31 Ų | 31 | 71.6 Ų | 71.6 | 19% | 0.188 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.9 | -47 | 176.7 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | L82 M85 F86 L151 Q152 K157 G158 L159 | L82-V155 HydrophobicContact CD2-CG2 3.92Å; M85-V155 HydrophobicContact SD-CG2 4.1Å; F86-V155 HydrophobicContact CE2-CG2 4.41Å; F86-V155 HydrophobicContact CZ-CB 4.4Å; F86-V155 HydrophobicContact CZ-CG1 4.14Å; L151-V155 WeakPolarHBondContact O-CG2 3.3Å; L151-V155 PolarHBondContact O-N 3.06Å; Q152-V155 PolarHBondContact O-N 2.93Å; V155-K157 PolarHBondContact O-N 3.42Å; V155-G158 PolarHBondContact O-N 3.05Å; V155-L159 HydrophobicContact CG1-CD1 4.04Å; V155-L159 HydrophobicContact CG1-CG 4.4Å; V155-L159 WeakPolarHBondContact O-CG 3.32Å; V155-L159 PolarHBondContact O-N 3.34Å |
| 156 | R | 90.6 | Very high | 85.5 | Confident | 62 Ų | 62 | 67.5 Ų | 67.5 | 23% | 0.234 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -52.4 | -54.9 | 174.3 | -176.6 | -171.9 | 82.6 | 86 | 5 | 110.4 | A141 Q152 E153 G158 L159 L160 D327 | A141-R156 HydrophobicContact CB-CG 4.11Å; A141-R156 WeakPolarHBondContact O-CG 3.31Å; Q152-R156 WeakPolarHBondContact O-CB 3.34Å; Q152-R156 PolarHBondContact O-N 2.94Å; E153-R156 PolarHBondContact O-N 3.48Å; E153-R156 IonicContact OE1-CZ 2.52Å; E153-R156 VanDerWaalsContact OE1-CZ 3.23Å; E153-R156 IonicContact OE1-NE 3.55Å; E153-R156 PolarHBondContact OE1-NE 3.02Å; E153-R156 IonicContact OE1-NH2 3.36Å; E153-R156 PolarHBondContact OE1-NH2 3.47Å; E153-R156 IonicContact OE2-CZ 3.4Å; E153-R156 IonicContact OE2-NE 3.43Å; E153-R156 PolarHBondContact OE2-NE 2.7Å; E153-R156 VanDerWaalsContact OE2-NE 3.11Å; R156-G158 VanDerWaalsContact C-N 3.31Å; R156-G158 PolarHBondContact O-N 3.32Å; R156-L159 PolarHBondContact O-N 2.93Å; R156-L160 HydrophobicContact CG-CD1 3.9Å; R156-L160 HydrophobicContact CG-CG 4.41Å; R156-L160 VanDerWaalsContact O-CG 3.25Å; R156-L160 WeakPolarHBondContact O-CG 3.36Å; R156-L160 PolarHBondContact O-N 3.49Å; R156-D327 IonicContact CZ-OD2 2.73Å; R156-D327 IonicContact NH1-OD1 4Å; R156-D327 IonicContact NH1-OD2 2.67Å; R156-D327 PolarHBondContact NH1-OD2 2.98Å; R156-D327 IonicContact NH2-OD2 2.62Å |
| 157 | K | 91.5 | Very high | 87.1 | Confident | 132 Ų | 132 | 63.6 Ų | 63.6 | 57% | 0.574 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -57.4 | -44.2 | -179 | -173.6 | 178.9 | 176.1 | -177.6 | 0 | 112 | E153 L154 V155 L160 E161 | E153-K157 WeakPolarHBondContact O-CB 3.46Å; E153-K157 PolarHBondContact O-N 3.01Å; L154-K157 PolarHBondContact O-N 3.38Å; V155-K157 PolarHBondContact O-N 3.42Å; K157-L160 PolarHBondContact O-N 3.47Å; K157-E161 WeakPolarHBondContact O-CB 3.27Å; K157-E161 PolarHBondContact O-N 3.24Å |
| 158 | G | 92.2 | Very high | 89.1 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 19% | 0.186 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L154 V155 R156 L160 E161 I162 | L154-G158 PolarHBondContact O-N 3.22Å; V155-G158 PolarHBondContact O-N 3.05Å; R156-G158 VanDerWaalsContact C-N 3.31Å; R156-G158 PolarHBondContact O-N 3.32Å; G158-L160 VanDerWaalsContact C-N 3.34Å; G158-L160 PolarHBondContact O-N 3.14Å; G158-E161 PolarHBondContact O-N 3.18Å; G158-I162 VanDerWaalsContact O-CG1 3.31Å; G158-I162 WeakPolarHBondContact O-CG1 3.29Å; G158-I162 PolarHBondContact O-N 3.49Å; G158-I162 VanDerWaalsContact O-N 3.1Å |
| 159 | L | 94.1 | Very high | 90.7 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 176.5 | -66.4 | 172.1 | 0 | 0 | 0 | 112.2 | F86 I89 L137 A140 A141 V155 R156 I162 S163 | F86-L159 HydrophobicContact CD1-CD2 4.5Å; F86-L159 HydrophobicContact CE1-CD2 3.77Å; F86-L159 HydrophobicContact CE1-CG 3.97Å; F86-L159 HydrophobicContact CZ-CG 4.44Å; I89-L159 HydrophobicContact CD1-CD2 3.66Å; I89-L159 HydrophobicContact CG2-CD2 4.4Å; L137-L159 HydrophobicContact CD2-CB 4.39Å; L137-L159 HydrophobicContact CD2-CD2 3.75Å; A140-L159 HydrophobicContact CB-CD1 3.88Å; A141-L159 HydrophobicContact CB-CB 4.12Å; A141-L159 HydrophobicContact CB-CD1 4.3Å; V155-L159 HydrophobicContact CG1-CD1 4.04Å; V155-L159 HydrophobicContact CG1-CG 4.4Å; V155-L159 WeakPolarHBondContact O-CG 3.32Å; V155-L159 PolarHBondContact O-N 3.34Å; R156-L159 PolarHBondContact O-N 2.93Å; L159-I162 PolarHBondContact O-N 2.87Å; L159-S163 PolarHBondContact O-N 3.36Å |
| 160 | L | 94.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.8 | -34.4 | 179.9 | -64.6 | -176.1 | 0 | 0 | 0 | 112.8 | A141 R156 K157 G158 S163 Q164 V323 | A141-L160 HydrophobicContact CB-CD1 4.38Å; A141-L160 HydrophobicContact CB-CD2 3.41Å; A141-L160 VanDerWaalsContact CB-CD2 3.41Å; A141-L160 HydrophobicContact CB-CG 3.76Å; R156-L160 HydrophobicContact CG-CD1 3.9Å; R156-L160 HydrophobicContact CG-CG 4.41Å; R156-L160 VanDerWaalsContact O-CG 3.25Å; R156-L160 WeakPolarHBondContact O-CG 3.36Å; R156-L160 PolarHBondContact O-N 3.49Å; K157-L160 PolarHBondContact O-N 3.47Å; G158-L160 VanDerWaalsContact C-N 3.34Å; G158-L160 PolarHBondContact O-N 3.14Å; L160-S163 PolarHBondContact O-N 3.29Å; L160-Q164 VanDerWaalsContact O-CB 3.32Å; L160-Q164 WeakPolarHBondContact O-CB 3.5Å; L160-Q164 PolarHBondContact O-N 3.36Å; L160-V323 HydrophobicContact CB-CG1 4.07Å; L160-V323 HydrophobicContact CB-CG2 3.84Å; L160-V323 HydrophobicContact CD1-CG1 3.87Å; L160-V323 WeakPolarHBondContact O-CG2 3.41Å |
| 161 | E | 95 | Very high | 92.4 | Very high | 128 Ų | 128 | 48.3 Ų | 48.3 | 60% | 0.598 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -65.1 | -42.6 | 173.2 | -174.8 | 165.5 | -162.6 | 0 | 0 | 111.5 | K157 G158 Q164 Q165 | K157-E161 WeakPolarHBondContact O-CB 3.27Å; K157-E161 PolarHBondContact O-N 3.24Å; G158-E161 PolarHBondContact O-N 3.18Å; E161-Q164 PolarHBondContact O-N 3.18Å; E161-Q165 WeakPolarHBondContact O-CB 3.38Å; E161-Q165 PolarHBondContact O-N 3.16Å |
| 162 | I | 95.1 | Very high | 93.1 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 8% | 0.082 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 173.1 | -69.9 | 171.5 | 0 | 0 | 0 | 110.8 | F86 I89 L93 Y133 L137 G158 L159 Q165 L166 | F86-I162 HydrophobicContact CD1-CD1 3.99Å; F86-I162 HydrophobicContact CE1-CD1 4.31Å; I89-I162 HydrophobicContact CG2-CD1 3.84Å; I89-I162 HydrophobicContact CG2-CG2 4.39Å; L93-I162 HydrophobicContact CB-CG2 4.34Å; L93-I162 HydrophobicContact CD1-CG2 4.22Å; L93-I162 HydrophobicContact CD2-CG1 4.37Å; L93-I162 HydrophobicContact CD2-CG2 4.09Å; L93-I162 HydrophobicContact CG-CG2 4.42Å; Y133-I162 HydrophobicContact CE1-CG2 4.03Å; Y133-I162 WeakPolarHBondContact OH-CG2 3.38Å; L137-I162 HydrophobicContact CD1-CB 4.44Å; L137-I162 HydrophobicContact CD1-CG2 3.69Å; L137-I162 HydrophobicContact CD2-CB 4.42Å; L137-I162 HydrophobicContact CD2-CG2 3.92Å; L137-I162 HydrophobicContact CG-CG2 4.48Å; G158-I162 VanDerWaalsContact O-CG1 3.31Å; G158-I162 WeakPolarHBondContact O-CG1 3.29Å; G158-I162 PolarHBondContact O-N 3.49Å; G158-I162 VanDerWaalsContact O-N 3.1Å; L159-I162 PolarHBondContact O-N 2.87Å; I162-Q165 PolarHBondContact O-N 2.83Å; I162-L166 PolarHBondContact O-N 3.45Å; I162-L166 VanDerWaalsContact O-N 3.1Å |
| 163 | S | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 177 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | E138 L159 L160 Q165 L166 T167 | E138-S163 WeakPolarHBondContact OE1-CB 3.11Å; E138-S163 PolarHBondContact OE1-OG 3.34Å; L159-S163 PolarHBondContact O-N 3.36Å; L160-S163 PolarHBondContact O-N 3.29Å; S163-Q165 PolarHBondContact O-N 2.62Å; S163-L166 PolarHBondContact O-N 2.97Å; S163-T167 VanDerWaalsContact O-CB 3.32Å; S163-T167 WeakPolarHBondContact O-CB 3.49Å; S163-T167 PolarHBondContact O-N 3.17Å; S163-T167 PolarHBondContact O-OG1 3.48Å |
| 164 | Q | 95.4 | Very high | 94.2 | Very high | 29 Ų | 29 | 40.8 Ų | 40.8 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -45.2 | 176.5 | -178.6 | 70.3 | 51.4 | 0 | 0 | 111.7 | L160 E161 T167 L168 H322 V323 | L160-Q164 VanDerWaalsContact O-CB 3.32Å; L160-Q164 WeakPolarHBondContact O-CB 3.5Å; L160-Q164 PolarHBondContact O-N 3.36Å; E161-Q164 PolarHBondContact O-N 3.18Å; Q164-T167 PolarHBondContact O-N 3.4Å; Q164-L168 HydrophobicContact CG-CD1 4.2Å; Q164-L168 WeakPolarHBondContact O-CG 3.39Å; Q164-L168 PolarHBondContact O-N 2.92Å; Q164-H322 VanDerWaalsContact OE1-CB 3.27Å; Q164-V323 HydrophobicContact CB-CG2 4.07Å |
| 165 | Q | 95.9 | Very high | 94.6 | Very high | 95 Ų | 95 | 39.4 Ų | 39.4 | 44% | 0.444 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.3 | -48 | -179.6 | -177.9 | 179.8 | -1 | 0 | 0 | 111.7 | E161 I162 S163 L168 R169 | E161-Q165 WeakPolarHBondContact O-CB 3.38Å; E161-Q165 PolarHBondContact O-N 3.16Å; I162-Q165 PolarHBondContact O-N 2.83Å; S163-Q165 PolarHBondContact O-N 2.62Å; Q165-L168 PolarHBondContact O-N 2.97Å; Q165-R169 PolarHBondContact O-N 2.89Å; Q165-R169 VanDerWaalsContact O-N 3.1Å |
| 166 | L | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 178 | -178.2 | 60.9 | 0 | 0 | 0 | 111 | L93 L96 L97 C130 Y133 F134 I162 S163 L168 R169 L170 | L93-L166 HydrophobicContact CD1-CB 3.99Å; L96-L166 HydrophobicContact CB-CD1 4.09Å; L96-L166 HydrophobicContact CD1-CD2 3.84Å; L97-L166 HydrophobicContact CD2-CD1 4.28Å; C130-L166 HydrophobicContact CB-CD2 4.39Å; Y133-L166 HydrophobicContact CD1-CD2 3.58Å; Y133-L166 HydrophobicContact CE1-CD2 4.01Å; F134-L166 HydrophobicContact CD2-CD2 4.48Å; F134-L166 HydrophobicContact CE1-CB 4.15Å; F134-L166 HydrophobicContact CE1-CD2 3.95Å; F134-L166 HydrophobicContact CE1-CG 4.13Å; F134-L166 HydrophobicContact CE2-CD2 3.92Å; F134-L166 HydrophobicContact CE2-CG 4.23Å; F134-L166 HydrophobicContact CZ-CB 4.07Å; F134-L166 HydrophobicContact CZ-CD2 3.62Å; F134-L166 HydrophobicContact CZ-CG 3.61Å; I162-L166 PolarHBondContact O-N 3.45Å; I162-L166 VanDerWaalsContact O-N 3.1Å; S163-L166 PolarHBondContact O-N 2.97Å; L166-L168 PolarHBondContact O-N 2.78Å; L166-R169 PolarHBondContact O-N 3.29Å; L166-R169 VanDerWaalsContact O-N 3.16Å; L166-L170 HydrophobicContact CD1-CD1 4.17Å; L166-L170 HydrophobicContact CD1-CD2 4.36Å; L166-L170 HydrophobicContact CD1-CG 4.04Å; L166-L170 HydrophobicContact CG-CD1 4Å; L166-L170 HydrophobicContact CG-CG 4.26Å; L166-L170 WeakPolarHBondContact O-CG 3.41Å; L166-L170 PolarHBondContact O-N 3.32Å |
| 167 | T | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55 | -49.4 | 178.2 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | F134 S163 Q164 R169 L170 E171 F196 | F134-T167 VanDerWaalsContact CE1-OG1 3.24Å; F134-T167 WeakPolarHBondContact CE1-OG1 3.28Å; S163-T167 VanDerWaalsContact O-CB 3.32Å; S163-T167 WeakPolarHBondContact O-CB 3.49Å; S163-T167 PolarHBondContact O-N 3.17Å; S163-T167 PolarHBondContact O-OG1 3.48Å; Q164-T167 PolarHBondContact O-N 3.4Å; T167-R169 VanDerWaalsContact C-N 3.34Å; T167-R169 PolarHBondContact O-N 3.43Å; T167-L170 PolarHBondContact O-N 3.15Å; T167-E171 WeakPolarHBondContact O-CB 3.39Å; T167-E171 PolarHBondContact O-N 3.17Å; T167-F196 HydrophobicContact CG2-CE2 4.25Å; T167-F196 HydrophobicContact CG2-CZ 3.99Å |
| 168 | L | 95.1 | Very high | 95.2 | Very high | 70 Ų | 70 | 31.5 Ų | 31.5 | 37% | 0.366 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.6 | -39.9 | 178.5 | -70.2 | 173.1 | 0 | 0 | 0 | 112 | Q164 Q165 L166 Q172 | Q164-L168 HydrophobicContact CG-CD1 4.2Å; Q164-L168 WeakPolarHBondContact O-CG 3.39Å; Q164-L168 PolarHBondContact O-N 2.92Å; Q165-L168 PolarHBondContact O-N 2.97Å; L166-L168 PolarHBondContact O-N 2.78Å; L168-Q172 WeakPolarHBondContact O-CB 3.43Å; L168-Q172 VanDerWaalsContact O-CG 3.25Å; L168-Q172 WeakPolarHBondContact O-CG 3.48Å; L168-Q172 PolarHBondContact O-N 2.78Å |
| 169 | R | 96.4 | Very high | 95.2 | Very high | 43 Ų | 43 | 35.1 Ų | 35.1 | 16% | 0.162 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.3 | -44.2 | 179.5 | -172.7 | 66.8 | 178.6 | 132.4 | 3.2 | 112 | L97 A100 D101 Q104 Q165 L166 T167 L173 | L97-R169 HydrophobicContact CD2-CB 3.77Å; L97-R169 HydrophobicContact CD2-CG 3.7Å; A100-R169 HydrophobicContact CB-CG 3.95Å; D101-R169 IonicContact OD1-CZ 3.48Å; D101-R169 IonicContact OD1-NE 3.93Å; D101-R169 PolarHBondContact OD1-NE 3.29Å; D101-R169 IonicContact OD1-NH2 3.51Å; D101-R169 PolarHBondContact OD1-NH2 3.36Å; Q104-R169 VanDerWaalsContact OE1-CZ 3.22Å; Q165-R169 PolarHBondContact O-N 2.89Å; Q165-R169 VanDerWaalsContact O-N 3.1Å; L166-R169 PolarHBondContact O-N 3.29Å; L166-R169 VanDerWaalsContact O-N 3.16Å; T167-R169 VanDerWaalsContact C-N 3.34Å; T167-R169 PolarHBondContact O-N 3.43Å; R169-L173 WeakPolarHBondContact O-CB 3.48Å; R169-L173 PolarHBondContact O-N 3.27Å |
| 170 | L | 96.7 | Very high | 95 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66 | -43 | 178.2 | -65.9 | 179.5 | 0 | 0 | 0 | 111.4 | F126 L127 C130 F134 L166 T167 Q172 L173 V174 F196 | F126-L170 HydrophobicContact CD1-CD2 4.15Å; F126-L170 HydrophobicContact CE1-CD2 3.42Å; F126-L170 VanDerWaalsContact CE1-CD2 3.42Å; F126-L170 HydrophobicContact CZ-CD2 4.01Å; L127-L170 HydrophobicContact CD2-CB 4.06Å; L127-L170 HydrophobicContact CD2-CD1 4.04Å; L127-L170 HydrophobicContact CD2-CD2 4.16Å; L127-L170 HydrophobicContact CD2-CG 4.31Å; C130-L170 HydrophobicContact CB-CD1 4.01Å; F134-L170 HydrophobicContact CE2-CD1 3.61Å; F134-L170 HydrophobicContact CZ-CD1 3.83Å; L166-L170 HydrophobicContact CD1-CD1 4.17Å; L166-L170 HydrophobicContact CD1-CD2 4.36Å; L166-L170 HydrophobicContact CD1-CG 4.04Å; L166-L170 HydrophobicContact CG-CD1 4Å; L166-L170 HydrophobicContact CG-CG 4.26Å; L166-L170 WeakPolarHBondContact O-CG 3.41Å; L166-L170 PolarHBondContact O-N 3.32Å; T167-L170 PolarHBondContact O-N 3.15Å; L170-Q172 PolarHBondContact O-N 2.83Å; L170-L173 WeakPolarHBondContact O-CB 3.36Å; L170-L173 PolarHBondContact O-N 2.83Å; L170-V174 WeakPolarHBondContact O-CG2 3.48Å; L170-V174 PolarHBondContact O-N 2.8Å; L170-F196 HydrophobicContact CB-CE2 4.26Å; L170-F196 HydrophobicContact CB-CZ 4.15Å; L170-F196 HydrophobicContact CD1-CE2 4.24Å |
| 171 | E | 95.4 | Very high | 94.8 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 9% | 0.089 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.9 | -49.7 | 175.4 | -177.9 | -175.9 | 170.3 | 0 | 0 | 111.6 | T167 L173 V174 L175 F196 R213 K232 | T167-E171 WeakPolarHBondContact O-CB 3.39Å; T167-E171 PolarHBondContact O-N 3.17Å; E171-L173 VanDerWaalsContact C-N 3.29Å; E171-L173 PolarHBondContact O-N 2.9Å; E171-V174 PolarHBondContact O-N 2.89Å; E171-L175 HydrophobicContact CG-CD1 4Å; E171-L175 WeakPolarHBondContact O-CB 3.32Å; E171-L175 WeakPolarHBondContact O-CG 3.1Å; E171-L175 PolarHBondContact O-N 3Å; E171-F196 HydrophobicContact CB-CE1 4.33Å; E171-F196 HydrophobicContact CB-CZ 4.46Å; E171-R213 IonicContact OE1-NH2 3.06Å; E171-R213 IonicContact OE2-CZ 2.79Å; E171-R213 IonicContact OE2-NE 2.7Å; E171-R213 PolarHBondContact OE2-NE 3.4Å; E171-R213 IonicContact OE2-NH2 3.9Å; E171-R213 PolarHBondContact OE2-NH2 2.78Å; E171-K232 IonicContact OE1-NZ 3.16Å; E171-K232 PolarHBondContact OE1-NZ 3.23Å; E171-K232 IonicContact OE2-NZ 2.74Å |
| 172 | Q | 95.4 | Very high | 94.6 | Very high | 111 Ų | 111 | 38.7 Ų | 38.7 | 52% | 0.519 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.2 | -41.4 | 177.1 | -74.4 | 173 | 0.1 | 0 | 0 | 112.1 | L168 L170 M176 | L168-Q172 WeakPolarHBondContact O-CB 3.43Å; L168-Q172 VanDerWaalsContact O-CG 3.25Å; L168-Q172 WeakPolarHBondContact O-CG 3.48Å; L168-Q172 PolarHBondContact O-N 2.78Å; L170-Q172 PolarHBondContact O-N 2.83Å; Q172-M176 VanDerWaalsContact O-CB 3.28Å; Q172-M176 WeakPolarHBondContact O-CB 3.48Å; Q172-M176 PolarHBondContact O-N 2.83Å |
| 173 | L | 95.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -48.6 | 178.7 | -178.7 | 64.7 | 0 | 0 | 0 | 111.3 | A100 F103 Q104 M123 F126 R169 L170 E171 M176 Y177 | A100-L173 HydrophobicContact CB-CD2 4.07Å; F103-L173 HydrophobicContact CB-CD1 3.95Å; F103-L173 HydrophobicContact CB-CD2 3.91Å; F103-L173 HydrophobicContact CG-CD2 4.36Å; Q104-L173 HydrophobicContact CB-CD1 4.2Å; M123-L173 HydrophobicContact CE-CD1 4.35Å; M123-L173 HydrophobicContact CE-CD2 3.96Å; M123-L173 HydrophobicContact CE-CG 3.73Å; M123-L173 HydrophobicContact SD-CD2 3.8Å; M123-L173 HydrophobicContact SD-CG 4.07Å; F126-L173 HydrophobicContact CD1-CD2 4.22Å; F126-L173 HydrophobicContact CE1-CD2 3.96Å; R169-L173 WeakPolarHBondContact O-CB 3.48Å; R169-L173 PolarHBondContact O-N 3.27Å; L170-L173 WeakPolarHBondContact O-CB 3.36Å; L170-L173 PolarHBondContact O-N 2.83Å; E171-L173 VanDerWaalsContact C-N 3.29Å; E171-L173 PolarHBondContact O-N 2.9Å; L173-M176 HydrophobicContact CD1-CE 3.77Å; L173-M176 WeakPolarHBondContact O-CB 3.3Å; L173-M176 PolarHBondContact O-N 2.6Å; L173-Y177 HydrophobicContact CD1-CD2 4.06Å; L173-Y177 HydrophobicContact CD1-CE2 3.79Å; L173-Y177 HydrophobicContact CG-CD2 4.41Å; L173-Y177 HydrophobicContact CG-CE2 4.44Å; L173-Y177 WeakPolarHBondContact O-CD2 3.47Å; L173-Y177 PolarHBondContact O-N 3.46Å |
| 174 | V | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.6 | -45.3 | 179.4 | 174.5 | 0 | 0 | 0 | 0 | 111 | M123 L127 L170 E171 M176 Y177 A178 V183 L185 I193 C215 | M123-V174 HydrophobicContact CG-CG2 4.17Å; M123-V174 HydrophobicContact SD-CG2 4.21Å; L127-V174 HydrophobicContact CD1-CG2 4.07Å; L127-V174 HydrophobicContact CD2-CG2 4.29Å; L170-V174 WeakPolarHBondContact O-CG2 3.48Å; L170-V174 PolarHBondContact O-N 2.8Å; E171-V174 PolarHBondContact O-N 2.89Å; V174-M176 VanDerWaalsContact C-N 3.26Å; V174-M176 PolarHBondContact O-N 2.83Å; V174-Y177 PolarHBondContact O-N 2.76Å; V174-A178 WeakPolarHBondContact O-CB 3.27Å; V174-A178 PolarHBondContact O-N 2.69Å; V174-V183 HydrophobicContact CG1-CG1 4.39Å; V174-L185 HydrophobicContact CG1-CD2 3.49Å; V174-L185 VanDerWaalsContact CG1-CD2 3.49Å; V174-I193 HydrophobicContact CG1-CB 4.45Å; V174-I193 HydrophobicContact CG1-CG2 4.21Å; V174-I193 HydrophobicContact CG2-CG2 4.49Å; V174-C215 HydrophobicContact CG1-CB 3.94Å; V174-C215 VanDerWaalsContact CG1-SG 3.6Å |
| 175 | L | 94.8 | Very high | 94.2 | Very high | 63 Ų | 63 | 41.5 Ų | 41.5 | 33% | 0.33 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.2 | -40 | 175.6 | -79.3 | 174 | 0 | 0 | 0 | 112.4 | E171 A178 S179 L185 C215 T216 | E171-L175 HydrophobicContact CG-CD1 4Å; E171-L175 WeakPolarHBondContact O-CB 3.32Å; E171-L175 WeakPolarHBondContact O-CG 3.1Å; E171-L175 PolarHBondContact O-N 3Å; L175-A178 PolarHBondContact O-N 3Å; L175-S179 PolarHBondContact O-N 2.88Å; L175-L185 HydrophobicContact CD2-CD1 4.16Å; L175-C215 WeakPolarHBondContact CD2-O 3.43Å; L175-T216 HydrophobicContact CD2-CG2 3.45Å; L175-T216 VanDerWaalsContact CD2-CG2 3.45Å |
| 176 | M | 94.4 | Very high | 93.8 | Very high | 33 Ų | 33 | 42.3 Ų | 42.3 | 16% | 0.163 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.2 | -45.9 | 176.7 | -174.3 | -178.7 | 63.8 | 0 | 0 | 110.8 | Q104 L107 L108 Q172 L173 V174 A178 S179 F180 | Q104-M176 HydrophobicContact CB-CE 3.6Å; Q104-M176 HydrophobicContact CG-CE 3.5Å; Q104-M176 VanDerWaalsContact CG-CE 3.5Å; Q104-M176 HydrophobicContact CG-SD 3.97Å; L107-M176 HydrophobicContact CD2-CB 4.48Å; L107-M176 HydrophobicContact CD2-CE 3.49Å; L107-M176 VanDerWaalsContact CD2-CE 3.49Å; L107-M176 HydrophobicContact CD2-CG 3.65Å; L107-M176 HydrophobicContact CD2-SD 4Å; L108-M176 HydrophobicContact CD2-SD 4.47Å; Q172-M176 VanDerWaalsContact O-CB 3.28Å; Q172-M176 WeakPolarHBondContact O-CB 3.48Å; Q172-M176 PolarHBondContact O-N 2.83Å; L173-M176 HydrophobicContact CD1-CE 3.77Å; L173-M176 WeakPolarHBondContact O-CB 3.3Å; L173-M176 PolarHBondContact O-N 2.6Å; V174-M176 VanDerWaalsContact C-N 3.26Å; V174-M176 PolarHBondContact O-N 2.83Å; M176-A178 VanDerWaalsContact C-N 3.31Å; M176-A178 PolarHBondContact O-N 3.3Å; M176-S179 PolarHBondContact O-N 3.01Å; M176-S179 PolarHBondContact O-OG 2.99Å; M176-F180 HydrophobicContact CG-CD2 4.47Å; M176-F180 HydrophobicContact CG-CE2 4.13Å; M176-F180 VanDerWaalsContact O-CD2 3.24Å; M176-F180 WeakPolarHBondContact O-CD2 3.45Å; M176-F180 PolarHBondContact O-N 3.42Å |
| 177 | Y | 94.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.8 | -37.1 | 175.9 | -89.6 | -104.7 | 0 | 0 | 0 | 113.2 | F103 L107 L119 A120 M123 L173 V174 F180 G181 F182 V183 | F103-Y177 PolarHBondContact O-OH 2.81Å; L107-Y177 HydrophobicContact CB-CE2 3.94Å; L107-Y177 HydrophobicContact CD1-CD1 4.09Å; L107-Y177 HydrophobicContact CD1-CE1 3.89Å; L107-Y177 HydrophobicContact CD1-CE2 4.36Å; L107-Y177 HydrophobicContact CD1-CG 4.42Å; L107-Y177 HydrophobicContact CD2-CD2 3.67Å; L107-Y177 HydrophobicContact CD2-CE2 3.72Å; L107-Y177 HydrophobicContact CD2-CG 4.13Å; L107-Y177 HydrophobicContact CG-CE2 4.23Å; L119-Y177 WeakPolarHBondContact CD2-OH 3.37Å; L119-Y177 WeakPolarHBondContact CG-OH 3.22Å; A120-Y177 HydrophobicContact CB-CD1 3.87Å; A120-Y177 HydrophobicContact CB-CE1 4.12Å; M123-Y177 HydrophobicContact CE-CD1 4.01Å; M123-Y177 HydrophobicContact CE-CD2 3.25Å; M123-Y177 HydrophobicContact CE-CE1 4.17Å; M123-Y177 HydrophobicContact CE-CE2 3.46Å; M123-Y177 VanDerWaalsContact CE-CE2 3.46Å; M123-Y177 HydrophobicContact CE-CG 3.55Å; L173-Y177 HydrophobicContact CD1-CD2 4.06Å; L173-Y177 HydrophobicContact CD1-CE2 3.79Å; L173-Y177 HydrophobicContact CG-CD2 4.41Å; L173-Y177 HydrophobicContact CG-CE2 4.44Å; L173-Y177 WeakPolarHBondContact O-CD2 3.47Å; L173-Y177 PolarHBondContact O-N 3.46Å; V174-Y177 PolarHBondContact O-N 2.76Å; Y177-F180 PolarHBondContact O-N 3.17Å; Y177-G181 PolarHBondContact O-N 2.91Å; Y177-F182 HydrophobicContact CD1-CB 4.19Å; Y177-F182 PolarHBondContact O-N 2.97Å; Y177-F182 VanDerWaalsContact O-N 3.12Å; Y177-V183 HydrophobicContact CD1-CG2 4.43Å; Y177-V183 HydrophobicContact CG-CG2 4.48Å |
| 178 | A | 93.9 | Very high | 92.6 | Very high | 25 Ų | 25 | 51 Ų | 51 | 21% | 0.207 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.9 | -36.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V174 L175 M176 F180 G181 V183 L185 | V174-A178 WeakPolarHBondContact O-CB 3.27Å; V174-A178 PolarHBondContact O-N 2.69Å; L175-A178 PolarHBondContact O-N 3Å; M176-A178 VanDerWaalsContact C-N 3.31Å; M176-A178 PolarHBondContact O-N 3.3Å; A178-F180 VanDerWaalsContact C-N 3.25Å; A178-F180 PolarHBondContact O-N 3.34Å; A178-G181 WeakPolarHBondContact O-CA 3.24Å; A178-G181 PolarHBondContact O-N 3.08Å; A178-V183 WeakPolarHBondContact CA-O 3.25Å; A178-V183 WeakPolarHBondContact CB-O 3.06Å; A178-L185 HydrophobicContact CB-CD1 3.41Å; A178-L185 VanDerWaalsContact CB-CD1 3.41Å; A178-L185 HydrophobicContact CB-CD2 4.25Å; A178-L185 HydrophobicContact CB-CG 3.69Å |
| 179 | S | 92.9 | Very high | 92.2 | Very high | 94 Ų | 94 | 50 Ų | 50 | 66% | 0.657 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -67.1 | -25.6 | 177.6 | 76.7 | 0 | 0 | 0 | 0 | 113.5 | L175 M176 G181 | L175-S179 PolarHBondContact O-N 2.88Å; M176-S179 PolarHBondContact O-N 3.01Å; M176-S179 PolarHBondContact O-OG 2.99Å; S179-G181 VanDerWaalsContact C-N 3.31Å |
| 180 | F | 90.3 | Very high | 91.6 | Very high | 101 Ų | 101 | 53.8 Ų | 53.8 | 44% | 0.443 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -0.5 | 169.3 | -72.3 | -86 | 0 | 0 | 0 | 113.6 | L107 L108 M176 Y177 A178 F182 | L107-F180 HydrophobicContact CD1-CB 4.49Å; L107-F180 HydrophobicContact CD1-CD2 4.15Å; L107-F180 HydrophobicContact CD1-CG 4.33Å; L107-F180 HydrophobicContact CD2-CD2 3.61Å; L107-F180 HydrophobicContact CD2-CE2 3.76Å; L107-F180 HydrophobicContact CG-CD2 4Å; L107-F180 HydrophobicContact CG-CE2 4.11Å; L108-F180 HydrophobicContact CD2-CE2 4.34Å; L108-F180 HydrophobicContact CD2-CZ 4.14Å; M176-F180 HydrophobicContact CG-CD2 4.47Å; M176-F180 HydrophobicContact CG-CE2 4.13Å; M176-F180 VanDerWaalsContact O-CD2 3.24Å; M176-F180 WeakPolarHBondContact O-CD2 3.45Å; M176-F180 PolarHBondContact O-N 3.42Å; Y177-F180 PolarHBondContact O-N 3.17Å; A178-F180 VanDerWaalsContact C-N 3.25Å; A178-F180 PolarHBondContact O-N 3.34Å; F180-F182 VanDerWaalsContact C-N 3.34Å; F180-F182 HydrophobicContact CB-CD2 3.47Å; F180-F182 VanDerWaalsContact CB-CD2 3.47Å; F180-F182 HydrophobicContact CB-CE2 3.55Å; F180-F182 HydrophobicContact CG-CD2 4.49Å; F180-F182 HydrophobicContact CG-CE2 4.29Å |
| 181 | G | 90.1 | Very high | 91 | Very high | 65 Ų | 65 | 61.2 Ų | 61.2 | 67% | 0.67 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 18.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y177 A178 S179 | Y177-G181 PolarHBondContact O-N 2.91Å; A178-G181 WeakPolarHBondContact O-CA 3.24Å; A178-G181 PolarHBondContact O-N 3.08Å; S179-G181 VanDerWaalsContact C-N 3.31Å |
| 182 | F | 90.8 | Very high | 90.8 | Very high | 47 Ų | 47 | 61.4 Ų | 61.4 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -89.7 | -20.7 | 178.8 | -66.4 | -61.9 | 0 | 0 | 0 | 113.7 | L107 R113 K116 E117 A120 Y177 F180 | L107-F182 HydrophobicContact CD1-CD2 3.66Å; L107-F182 HydrophobicContact CD1-CE2 3.68Å; R113-F182 HydrophobicContact CG-CE1 4.28Å; K116-F182 HydrophobicContact CB-CD2 4.48Å; K116-F182 HydrophobicContact CB-CE1 3.95Å; K116-F182 HydrophobicContact CB-CE2 3.88Å; K116-F182 HydrophobicContact CB-CZ 3.59Å; K116-F182 HydrophobicContact CD-CE2 3.9Å; K116-F182 HydrophobicContact CD-CZ 3.79Å; K116-F182 HydrophobicContact CG-CE2 4.47Å; K116-F182 HydrophobicContact CG-CZ 4.33Å; E117-F182 HydrophobicContact CG-CD1 3.72Å; E117-F182 HydrophobicContact CG-CE1 3.72Å; A120-F182 HydrophobicContact CB-CB 3.67Å; Y177-F182 HydrophobicContact CD1-CB 4.19Å; Y177-F182 PolarHBondContact O-N 2.97Å; Y177-F182 VanDerWaalsContact O-N 3.12Å; F180-F182 VanDerWaalsContact C-N 3.34Å; F180-F182 HydrophobicContact CB-CD2 3.47Å; F180-F182 VanDerWaalsContact CB-CD2 3.47Å; F180-F182 HydrophobicContact CB-CE2 3.55Å; F180-F182 HydrophobicContact CG-CD2 4.49Å; F180-F182 HydrophobicContact CG-CE2 4.29Å |
| 183 | V | 92.5 | Very high | 90.6 | Very high | 16 Ų | 16 | 56.8 Ų | 56.8 | 10% | 0.097 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -128 | 131.9 | -179.8 | 172.7 | 0 | 0 | 0 | 0 | 108.4 | A120 V174 Y177 A178 L185 I193 | A120-V183 HydrophobicContact CB-CG2 4.2Å; V174-V183 HydrophobicContact CG1-CG1 4.39Å; Y177-V183 HydrophobicContact CD1-CG2 4.43Å; Y177-V183 HydrophobicContact CG-CG2 4.48Å; A178-V183 WeakPolarHBondContact CA-O 3.25Å; A178-V183 WeakPolarHBondContact CB-O 3.06Å; V183-L185 HydrophobicContact CG1-CD2 3.74Å; V183-I193 HydrophobicContact CG1-CB 3.89Å; V183-I193 HydrophobicContact CG1-CD1 3.69Å; V183-I193 HydrophobicContact CG1-CG1 3.81Å; V183-I193 HydrophobicContact CG2-CD1 4.25Å |
| 184 | D | 91.9 | Very high | 90.4 | Very high | 67 Ų | 67 | 57.5 Ų | 57.5 | 36% | 0.358 | 33% | 0.333 | S | S | . | . | trans | -89.7 | 140.7 | 170.2 | -173.5 | 13.2 | 0 | 0 | 0 | 110.1 | E186 N189 S192 I193 | D184-E186 WeakPolarHBondContact OD1-CB 3.41Å; D184-E186 PolarHBondContact OD1-N 2.81Å; D184-N189 PolarHBondContact OD2-ND2 2.55Å; D184-S192 CarbonylContact O-C 3.58Å; D184-S192 WeakPolarHBondContact O-CA 3.29Å; D184-S192 WeakPolarHBondContact O-CB 3.24Å; D184-I193 PolarHBondContact O-N 2.87Å | ||
| 185 | L | 92.6 | Very high | 90.4 | Very high | 20 Ų | 20 | 59.1 Ų | 59.1 | 11% | 0.105 | 34% | 0.344 | C | S | . | . | trans | -117.6 | 6 | -179.4 | -53.6 | -178.1 | 0 | 0 | 0 | 112.2 | V174 L175 A178 V183 E187 I193 S194 C215 T216 | V174-L185 HydrophobicContact CG1-CD2 3.49Å; V174-L185 VanDerWaalsContact CG1-CD2 3.49Å; L175-L185 HydrophobicContact CD2-CD1 4.16Å; A178-L185 HydrophobicContact CB-CD1 3.41Å; A178-L185 VanDerWaalsContact CB-CD1 3.41Å; A178-L185 HydrophobicContact CB-CD2 4.25Å; A178-L185 HydrophobicContact CB-CG 3.69Å; V183-L185 HydrophobicContact CG1-CD2 3.74Å; L185-E187 PolarHBondContact O-N 2.81Å; L185-I193 HydrophobicContact CD2-CB 4.36Å; L185-I193 WeakPolarHBondContact CD2-O 3.34Å; L185-S194 WeakPolarHBondContact O-CB 3.47Å; L185-C215 HydrophobicContact CD1-CB 4.26Å; L185-C215 HydrophobicContact CD2-CB 4.15Å; L185-T216 HydrophobicContact CB-CG2 4.5Å; L185-T216 HydrophobicContact CD1-CG2 3.4Å; L185-T216 VanDerWaalsContact CD1-CG2 3.4Å | ||
| 186 | E | 89.1 | Confident | 90.4 | Very high | 112 Ų | 112 | 56.7 Ų | 56.7 | 52% | 0.523 | 33% | 0.331 | S | S | . | . | trans | -69.9 | 117.7 | 178.7 | -161.5 | -175.5 | 168.2 | 0 | 0 | 111.9 | D184 T188 N189 S192 | D184-E186 WeakPolarHBondContact OD1-CB 3.41Å; D184-E186 PolarHBondContact OD1-N 2.81Å; E186-T188 VanDerWaalsContact CG-OG1 3.26Å; E186-T188 WeakPolarHBondContact CG-OG1 3.01Å; E186-T188 PolarHBondContact O-N 3Å; E186-T188 VanDerWaalsContact O-N 3.15Å; E186-T188 PolarHBondContact OE1-OG1 3.47Å; E186-N189 HydrophobicContact CB-CB 4.49Å; E186-N189 PolarHBondContact O-N 3.1Å; E186-S192 WeakPolarHBondContact O-CB 3.42Å; E186-S192 PolarHBondContact O-OG 3.48Å | ||
| 187 | E | 84.4 | Confident | 90.5 | Very high | 73 Ų | 73 | 56.4 Ų | 56.4 | 34% | 0.341 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -25 | -177 | -171.9 | 179 | -154.5 | 0 | 0 | 114.1 | L185 N189 Y214 K231 | L185-E187 PolarHBondContact O-N 2.81Å; E187-N189 VanDerWaalsContact C-N 3.27Å; E187-N189 PolarHBondContact O-N 3.16Å; E187-Y214 HydrophobicContact CG-CE1 4.49Å; E187-Y214 WeakPolarHBondContact OE1-CE1 3.15Å; E187-Y214 PolarHBondContact OE1-OH 2.74Å; E187-K231 IonicContact OE1-NZ 2.87Å; E187-K231 PolarHBondContact OE1-NZ 3.42Å; E187-K231 WeakPolarHBondContact OE2-CE 3.33Å; E187-K231 IonicContact OE2-NZ 2.9Å; E187-K231 PolarHBondContact OE2-NZ 2.76Å |
| 188 | T | 82.7 | Confident | 90.6 | Very high | 109 Ų | 109 | 56.4 Ų | 56.4 | 67% | 0.669 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -21.5 | 177.2 | 61 | 0 | 0 | 0 | 0 | 112.4 | E186 | E186-T188 VanDerWaalsContact CG-OG1 3.26Å; E186-T188 WeakPolarHBondContact CG-OG1 3.01Å; E186-T188 PolarHBondContact O-N 3Å; E186-T188 VanDerWaalsContact O-N 3.15Å; E186-T188 PolarHBondContact OE1-OG1 3.47Å |
| 189 | N | 85.9 | Confident | 90.7 | Very high | 49 Ų | 49 | 55.2 Ų | 55.2 | 26% | 0.262 | 32% | 0.319 | S | S | . | . | trans | -88.5 | 118.5 | 179.5 | 179.9 | 0.2 | 0 | 0 | 0 | 110.1 | D184 E186 E187 L191 S192 | D184-N189 PolarHBondContact OD2-ND2 2.55Å; E186-N189 HydrophobicContact CB-CB 4.49Å; E186-N189 PolarHBondContact O-N 3.1Å; E187-N189 VanDerWaalsContact C-N 3.27Å; E187-N189 PolarHBondContact O-N 3.16Å; N189-L191 PolarHBondContact O-N 3.02Å; N189-L191 VanDerWaalsContact O-N 3.17Å; N189-L191 PolarHBondContact OD1-N 3.46Å; N189-S192 VanDerWaalsContact O-CB 3.27Å; N189-S192 WeakPolarHBondContact O-CB 3.46Å; N189-S192 PolarHBondContact O-N 3.45Å; N189-S192 PolarHBondContact O-OG 3.45Å | ||
| 190 | P | 83.8 | Confident | 90.9 | Very high | 123 Ų | 123 | 54.1 Ų | 54.1 | 80% | 0.799 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -14.6 | -179.6 | 28.6 | -36.6 | 0 | 0 | 0 | 113.9 | ||
| 191 | L | 84.8 | Confident | 91.1 | Very high | 158 Ų | 158 | 49.5 Ų | 49.5 | 83% | 0.827 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 0.2 | 176.3 | -57.3 | 178.1 | 0 | 0 | 0 | 112.8 | N189 | N189-L191 PolarHBondContact O-N 3.02Å; N189-L191 VanDerWaalsContact O-N 3.17Å; N189-L191 PolarHBondContact OD1-N 3.46Å |
| 192 | S | 90.4 | Very high | 91.3 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -75.4 | 161.9 | 179.5 | 72.9 | 0 | 0 | 0 | 0 | 112.6 | D184 E186 N189 | D184-S192 CarbonylContact O-C 3.58Å; D184-S192 WeakPolarHBondContact O-CA 3.29Å; D184-S192 WeakPolarHBondContact O-CB 3.24Å; E186-S192 WeakPolarHBondContact O-CB 3.42Å; E186-S192 PolarHBondContact O-OG 3.48Å; N189-S192 VanDerWaalsContact O-CB 3.27Å; N189-S192 WeakPolarHBondContact O-CB 3.46Å; N189-S192 PolarHBondContact O-N 3.45Å; N189-S192 PolarHBondContact O-OG 3.45Å |
| 193 | I | 91.8 | Very high | 91.3 | Very high | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.072 | 26% | 0.257 | C | S | . | . | trans | -108.3 | 57.1 | 168.6 | -47.2 | -179.4 | 0 | 0 | 0 | 108.5 | M123 P124 L127 V174 V183 D184 L185 C195 | M123-I193 HydrophobicContact CB-CD1 3.86Å; M123-I193 HydrophobicContact CG-CD1 3.77Å; P124-I193 HydrophobicContact CB-CD1 4.5Å; P124-I193 HydrophobicContact CG-CD1 3.63Å; P124-I193 HydrophobicContact CG-CG1 4.09Å; L127-I193 HydrophobicContact CD1-CG2 3.38Å; V174-I193 HydrophobicContact CG1-CB 4.45Å; V174-I193 HydrophobicContact CG1-CG2 4.21Å; V174-I193 HydrophobicContact CG2-CG2 4.49Å; V183-I193 HydrophobicContact CG1-CB 3.89Å; V183-I193 HydrophobicContact CG1-CD1 3.69Å; V183-I193 HydrophobicContact CG1-CG1 3.81Å; V183-I193 HydrophobicContact CG2-CD1 4.25Å; D184-I193 PolarHBondContact O-N 2.87Å; L185-I193 HydrophobicContact CD2-CB 4.36Å; L185-I193 WeakPolarHBondContact CD2-O 3.34Å; I193-C195 VanDerWaalsContact C-N 3.33Å; I193-C195 PolarHBondContact O-N 2.66Å | ||
| 194 | S | 92.1 | Very high | 91 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 11% | 0.112 | 26% | 0.263 | C | S | . | . | trans | -65.2 | -34.5 | -177.9 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | L185 Y214 C215 | L185-S194 WeakPolarHBondContact O-CB 3.47Å; S194-Y214 WeakPolarHBondContact O-CA 3.48Å; S194-C215 PolarHBondContact O-N 2.94Å | ||
| 195 | C | 94.1 | Very high | 90.8 | Very high | 34 Ų | 34 | 51 Ų | 51 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 163.6 | 176.5 | 65.9 | 0 | 0 | 0 | 0 | 112.1 | I193 R213 Y214 | I193-C195 VanDerWaalsContact C-N 3.33Å; I193-C195 PolarHBondContact O-N 2.66Å; C195-R213 CarbonylContact C-O 3.56Å; C195-R213 WeakPolarHBondContact CA-O 3.18Å; C195-R213 WeakPolarHBondContact CB-O 2.88Å; C195-Y214 HydrophobicContact CB-CD1 3.85Å; C195-Y214 HydrophobicContact CB-CE1 4.17Å; C195-Y214 HydrophobicContact CB-CG 4.07Å |
| 196 | F | 95.5 | Very high | 90.5 | Very high | 12 Ų | 12 | 52 Ų | 52 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 157.6 | 173.7 | 64.2 | -84.8 | 0 | 0 | 0 | 111.4 | L127 F134 T167 L170 E171 C198 F212 R213 | L127-F196 HydrophobicContact CD1-CB 4.19Å; L127-F196 HydrophobicContact CD2-CB 4.34Å; L127-F196 HydrophobicContact CD2-CG 4.34Å; F134-F196 HydrophobicContact CE2-CE2 4.41Å; F134-F196 HydrophobicContact CZ-CE2 4.35Å; T167-F196 HydrophobicContact CG2-CE2 4.25Å; T167-F196 HydrophobicContact CG2-CZ 3.99Å; L170-F196 HydrophobicContact CB-CE2 4.26Å; L170-F196 HydrophobicContact CB-CZ 4.15Å; L170-F196 HydrophobicContact CD1-CE2 4.24Å; E171-F196 HydrophobicContact CB-CE1 4.33Å; E171-F196 HydrophobicContact CB-CZ 4.46Å; F196-C198 WeakPolarHBondContact CE2-SG 3.41Å; F196-F212 CarbonylContact O-C 3.55Å; F196-F212 VanDerWaalsContact O-CA 3.29Å; F196-F212 WeakPolarHBondContact O-CA 3.43Å; F196-R213 HydrophobicContact CE1-CB 4.25Å; F196-R213 HydrophobicContact CZ-CB 4.21Å; F196-R213 PolarHBondContact N-O 3.02Å; F196-R213 PolarHBondContact O-N 2.76Å |
| 197 | F | 96.8 | Very high | 90.6 | Very high | 28 Ų | 28 | 49.1 Ų | 49.1 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 131.9 | 179.3 | 175.3 | -99.8 | 0 | 0 | 0 | 111.1 | E131 F134 L135 G199 R200 F212 | E131-F197 HydrophobicContact CB-CD1 3.78Å; E131-F197 HydrophobicContact CB-CE1 4.24Å; E131-F197 HydrophobicContact CG-CB 4.1Å; E131-F197 HydrophobicContact CG-CD1 3.78Å; E131-F197 HydrophobicContact CG-CG 4.36Å; F134-F197 WeakPolarHBondContact CD2-O 3.37Å; L135-F197 HydrophobicContact CB-CE1 4.49Å; L135-F197 HydrophobicContact CD1-CZ 4.21Å; F197-G199 VanDerWaalsContact CE2-C 3.48Å; F197-G199 WeakPolarHBondContact CE2-O 3.31Å; F197-G199 WeakPolarHBondContact CZ-O 3.24Å; F197-R200 HydrophobicContact CE2-CB 4.17Å; F197-R200 HydrophobicContact CZ-CB 3.86Å; F197-F212 HydrophobicContact CB-CD1 4.21Å; F197-F212 HydrophobicContact CB-CE1 4.05Å; F197-F212 HydrophobicContact CD2-CD1 4.44Å; F197-F212 AromaticContact CD2-CE1 3.91Å; F197-F212 HydrophobicContact CD2-CE1 3.91Å; F197-F212 HydrophobicContact CD2-CE2 4.49Å; F197-F212 AromaticContact CD2-CZ 3.93Å; F197-F212 HydrophobicContact CD2-CZ 3.93Å; F197-F212 HydrophobicContact CG-CE1 4.5Å |
| 198 | C | 96.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 17.3 | -178.5 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | E138 F196 I211 R213 | E138-C198 VanDerWaalsContact CG-O 3.31Å; E138-C198 WeakPolarHBondContact CG-O 3.18Å; F196-C198 WeakPolarHBondContact CE2-SG 3.41Å; C198-I211 HydrophobicContact CB-CB 4.18Å; C198-I211 HydrophobicContact CB-CG2 4.03Å; C198-I211 PolarHBondContact N-O 2.91Å; C198-R213 WeakPolarHBondContact SG-CB 3.4Å |
| 199 | G | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 116.5 | 172 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F197 I211 | F197-G199 VanDerWaalsContact CE2-C 3.48Å; F197-G199 WeakPolarHBondContact CE2-O 3.31Å; F197-G199 WeakPolarHBondContact CZ-O 3.24Å; G199-I211 PolarHBondContact O-N 2.97Å |
| 200 | R | 96.3 | Very high | 92.3 | Very high | 71 Ų | 71 | 40 Ų | 40 | 27% | 0.268 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 143.3 | 178.5 | 177.8 | -175.9 | 176 | 132.9 | -1.3 | 109.1 | L135 A139 F197 D208 V209 E238 | L135-R200 HydrophobicContact CD1-CB 4.01Å; A139-R200 PolarHBondContact N-O 3.36Å; F197-R200 HydrophobicContact CE2-CB 4.17Å; F197-R200 HydrophobicContact CZ-CB 3.86Å; R200-D208 IonicContact CZ-OD2 3.37Å; R200-D208 IonicContact NE-OD2 3.62Å; R200-D208 PolarHBondContact NE-OD2 2.87Å; R200-D208 IonicContact NH2-OD2 3.67Å; R200-D208 PolarHBondContact NH2-OD2 3.24Å; R200-V209 CarbonylContact C-O 3.57Å; R200-V209 WeakPolarHBondContact CA-O 3.34Å; R200-E238 IonicContact CZ-OE1 3.97Å; R200-E238 IonicContact CZ-OE2 3.83Å; R200-E238 VanDerWaalsContact NH1-CD 3.26Å; R200-E238 IonicContact NH1-OE1 3.04Å; R200-E238 PolarHBondContact NH1-OE1 2.93Å; R200-E238 IonicContact NH1-OE2 3.96Å; R200-E238 PolarHBondContact NH1-OE2 3.1Å; R200-E238 IonicContact NH2-OE2 3.88Å; R200-E238 PolarHBondContact NH2-OE2 3.36Å |
| 201 | F | 95.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 161.8 | 176.8 | 65.2 | -84.7 | 0 | 0 | 0 | 111.1 | R142 I203 V209 I211 T326 V330 | R142-F201 HydrophobicContact CB-CB 3.92Å; R142-F201 HydrophobicContact CB-CD1 4.28Å; R142-F201 HydrophobicContact CB-CD2 3.35Å; R142-F201 HydrophobicContact CB-CE2 3.84Å; R142-F201 HydrophobicContact CB-CG 3.59Å; R142-F201 HydrophobicContact CG-CD2 4.34Å; R142-F201 HydrophobicContact CG-CE2 4.48Å; R142-F201 HydrophobicContact CG-CG 4.44Å; F201-I203 HydrophobicContact CD2-CG1 4.02Å; F201-I203 HydrophobicContact CE2-CD1 3.97Å; F201-I203 HydrophobicContact CE2-CG1 3.49Å; F201-I203 VanDerWaalsContact CE2-CG1 3.49Å; F201-I203 HydrophobicContact CZ-CD1 4.45Å; F201-I203 HydrophobicContact CZ-CG1 4.4Å; F201-V209 HydrophobicContact CD1-CB 4.42Å; F201-V209 HydrophobicContact CE1-CB 3.92Å; F201-V209 HydrophobicContact CE1-CG1 3.83Å; F201-V209 HydrophobicContact CE2-CB 4.3Å; F201-V209 HydrophobicContact CZ-CB 3.86Å; F201-V209 HydrophobicContact CZ-CG1 3.93Å; F201-V209 HydrophobicContact CZ-CG2 4.49Å; F201-V209 PolarHBondContact N-O 3.41Å; F201-V209 PolarHBondContact O-N 3.13Å; F201-I211 HydrophobicContact CD1-CD1 4.14Å; F201-I211 HydrophobicContact CE1-CD1 3.87Å; F201-I211 HydrophobicContact CE1-CG1 4.14Å; F201-T326 HydrophobicContact CE1-CG2 3.8Å; F201-T326 HydrophobicContact CZ-CG2 3.89Å; F201-V330 HydrophobicContact CE2-CG2 3.63Å; F201-V330 HydrophobicContact CZ-CG2 3.51Å |
| 202 | S | 93.3 | Very high | 93.5 | Very high | 43 Ų | 43 | 28.3 Ų | 28.3 | 30% | 0.301 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 116.9 | -176 | -51 | 0 | 0 | 0 | 0 | 110.3 | S143 H207 D208 | S143-S202 WeakPolarHBondContact CA-O 3.4Å; S143-S202 PolarHBondContact OG-N 3.06Å; S202-H207 WeakPolarHBondContact CA-O 3.19Å; S202-D208 WeakPolarHBondContact CA-OD1 3.32Å; S202-D208 WeakPolarHBondContact CB-OD1 3.42Å; S202-D208 PolarHBondContact OG-OD1 3.23Å |
| 203 | I | 90.8 | Very high | 93.7 | Very high | 16 Ų | 16 | 27.4 Ų | 27.4 | 8% | 0.082 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -30.8 | 176.5 | -63.4 | 178.4 | 0 | 0 | 0 | 110.6 | V144 F201 H207 V209 V330 L333 M334 | V144-I203 WeakPolarHBondContact CG2-O 3.25Å; F201-I203 HydrophobicContact CD2-CG1 4.02Å; F201-I203 HydrophobicContact CE2-CD1 3.97Å; F201-I203 HydrophobicContact CE2-CG1 3.49Å; F201-I203 VanDerWaalsContact CE2-CG1 3.49Å; F201-I203 HydrophobicContact CZ-CD1 4.45Å; F201-I203 HydrophobicContact CZ-CG1 4.4Å; I203-H207 PolarHBondContact N-O 3.49Å; I203-V209 HydrophobicContact CD1-CB 4.4Å; I203-V209 HydrophobicContact CD1-CG2 3.39Å; I203-V209 HydrophobicContact CG1-CG2 4.02Å; I203-V330 HydrophobicContact CD1-CG1 4.43Å; I203-V330 HydrophobicContact CD1-CG2 4.02Å; I203-L333 HydrophobicContact CD1-CB 4.38Å; I203-L333 HydrophobicContact CD1-CD1 3.62Å; I203-M334 HydrophobicContact CG2-CG 4.02Å; I203-M334 HydrophobicContact CG2-SD 3.18Å; I203-M334 WeakPolarHBondContact CG2-SD 3.46Å |
| 204 | S | 87.2 | Confident | 93.9 | Very high | 32 Ų | 32 | 26.9 Ų | 26.9 | 22% | 0.224 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 170.5 | 174.1 | 76 | 0 | 0 | 0 | 0 | 109.1 | S206 H207 | S204-S206 PolarHBondContact O-N 3.26Å; S204-H207 PolarHBondContact N-O 2.97Å; S204-H207 PolarHBondContact O-N 3.09Å; S204-H207 VanDerWaalsContact O-N 3.08Å; S204-H207 WeakPolarHBondContact OG-CB 3.4Å; S204-H207 PolarHBondContact OG-N 3.08Å; S204-H207 PolarHBondContact OG-ND1 3.24Å |
| 205 | P | 86.5 | Confident | 93.8 | Very high | 136 Ų | 136 | 26.2 Ų | 26.2 | 88% | 0.883 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.1 | -179.5 | -26 | 35.6 | 0 | 0 | 0 | 114.6 | ||
| 206 | S | 87.4 | Confident | 93.6 | Very high | 41 Ų | 41 | 26.6 Ų | 26.6 | 29% | 0.287 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 1.8 | -179.2 | 53.3 | 0 | 0 | 0 | 0 | 114.4 | S204 T239 T240 | S204-S206 PolarHBondContact O-N 3.26Å; S206-T239 CarbonylContact O-C 3.49Å; S206-T239 VanDerWaalsContact O-CA 3.3Å; S206-T239 WeakPolarHBondContact O-CA 3.43Å; S206-T240 VanDerWaalsContact CA-OG1 3.29Å; S206-T240 WeakPolarHBondContact CA-OG1 3.36Å; S206-T240 VanDerWaalsContact CB-O 3.24Å; S206-T240 WeakPolarHBondContact CB-O 3.38Å; S206-T240 PolarHBondContact O-N 3.05Å; S206-T240 PolarHBondContact O-OG1 3.31Å |
| 207 | H | 91.2 | Very high | 93 | Very high | 51 Ų | 51 | 28.6 Ų | 28.6 | 24% | 0.236 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 112.2 | -174.1 | -62.8 | 82.8 | 0 | 0 | 0 | 111.2 | S202 I203 S204 L237 E238 | S202-H207 WeakPolarHBondContact CA-O 3.19Å; I203-H207 PolarHBondContact N-O 3.49Å; S204-H207 PolarHBondContact N-O 2.97Å; S204-H207 PolarHBondContact O-N 3.09Å; S204-H207 VanDerWaalsContact O-N 3.08Å; S204-H207 WeakPolarHBondContact OG-CB 3.4Å; S204-H207 PolarHBondContact OG-N 3.08Å; S204-H207 PolarHBondContact OG-ND1 3.24Å; H207-L237 HydrophobicContact CB-CD1 4.07Å; H207-E238 WeakPolarHBondContact CA-O 3.36Å |
| 208 | D | 94.4 | Very high | 92.5 | Very high | 32 Ų | 32 | 27.8 Ų | 27.8 | 17% | 0.171 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 138.4 | 174.6 | -73.8 | -28.1 | 0 | 0 | 0 | 110.9 | R200 S202 L237 E238 | R200-D208 IonicContact CZ-OD2 3.37Å; R200-D208 IonicContact NE-OD2 3.62Å; R200-D208 PolarHBondContact NE-OD2 2.87Å; R200-D208 IonicContact NH2-OD2 3.67Å; R200-D208 PolarHBondContact NH2-OD2 3.24Å; S202-D208 WeakPolarHBondContact CA-OD1 3.32Å; S202-D208 WeakPolarHBondContact CB-OD1 3.42Å; S202-D208 PolarHBondContact OG-OD1 3.23Å; D208-L237 CarbonylContact O-C 3.44Å; D208-L237 WeakPolarHBondContact O-CA 3.35Å; D208-E238 HydrophobicContact CB-CB 4.4Å; D208-E238 PolarHBondContact N-O 3.39Å; D208-E238 PolarHBondContact O-N 3.3Å |
| 209 | V | 96.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.7 | 176.4 | 176.5 | 0 | 0 | 0 | 0 | 109.5 | R200 F201 I203 W235 N236 L237 L333 | R200-V209 CarbonylContact C-O 3.57Å; R200-V209 WeakPolarHBondContact CA-O 3.34Å; F201-V209 HydrophobicContact CD1-CB 4.42Å; F201-V209 HydrophobicContact CE1-CB 3.92Å; F201-V209 HydrophobicContact CE1-CG1 3.83Å; F201-V209 HydrophobicContact CE2-CB 4.3Å; F201-V209 HydrophobicContact CZ-CB 3.86Å; F201-V209 HydrophobicContact CZ-CG1 3.93Å; F201-V209 HydrophobicContact CZ-CG2 4.49Å; F201-V209 PolarHBondContact N-O 3.41Å; F201-V209 PolarHBondContact O-N 3.13Å; I203-V209 HydrophobicContact CD1-CB 4.4Å; I203-V209 HydrophobicContact CD1-CG2 3.39Å; I203-V209 HydrophobicContact CG1-CG2 4.02Å; V209-W235 HydrophobicContact CG1-CB 4.12Å; V209-W235 HydrophobicContact CG1-CG 4.36Å; V209-N236 WeakPolarHBondContact CA-O 3.18Å; V209-L237 HydrophobicContact CG2-CD1 3.63Å; V209-L333 HydrophobicContact CG2-CD1 4.14Å |
| 210 | S | 97.5 | Very high | 91.5 | Very high | 6 Ų | 6 | 31 Ų | 31 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 137 | 170.7 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | W235 N236 | S210-W235 CarbonylContact O-C 3.55Å; S210-W235 VanDerWaalsContact O-CA 3.27Å; S210-W235 WeakPolarHBondContact O-CA 3.31Å; S210-N236 PolarHBondContact N-O 2.89Å; S210-N236 PolarHBondContact O-N 3.27Å |
| 211 | I | 97.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 134.9 | -173.7 | -47 | 159.7 | 0 | 0 | 0 | 110 | E138 C198 G199 F201 M233 T326 | E138-I211 HydrophobicContact CG-CD1 4.42Å; E138-I211 WeakPolarHBondContact OE2-CD1 3.43Å; C198-I211 HydrophobicContact CB-CB 4.18Å; C198-I211 HydrophobicContact CB-CG2 4.03Å; C198-I211 PolarHBondContact N-O 2.91Å; G199-I211 PolarHBondContact O-N 2.97Å; F201-I211 HydrophobicContact CD1-CD1 4.14Å; F201-I211 HydrophobicContact CE1-CD1 3.87Å; F201-I211 HydrophobicContact CE1-CG1 4.14Å; I211-M233 HydrophobicContact CG2-CE 3.59Å; I211-T326 HydrophobicContact CD1-CG2 4.12Å |
| 212 | F | 96.7 | Very high | 89.5 | Confident | 36 Ų | 36 | 30.9 Ų | 30.9 | 16% | 0.158 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 138.4 | 175 | -59.4 | -95.8 | 0 | 0 | 0 | 110.1 | F196 F197 M233 R234 | F196-F212 CarbonylContact O-C 3.55Å; F196-F212 VanDerWaalsContact O-CA 3.29Å; F196-F212 WeakPolarHBondContact O-CA 3.43Å; F197-F212 HydrophobicContact CB-CD1 4.21Å; F197-F212 HydrophobicContact CB-CE1 4.05Å; F197-F212 HydrophobicContact CD2-CD1 4.44Å; F197-F212 AromaticContact CD2-CE1 3.91Å; F197-F212 HydrophobicContact CD2-CE1 3.91Å; F197-F212 HydrophobicContact CD2-CE2 4.49Å; F197-F212 AromaticContact CD2-CZ 3.93Å; F197-F212 HydrophobicContact CD2-CZ 3.93Å; F197-F212 HydrophobicContact CG-CE1 4.5Å; F212-M233 CarbonylContact O-C 3.54Å; F212-M233 WeakPolarHBondContact O-CA 3.35Å; F212-R234 HydrophobicContact CB-CB 4.29Å; F212-R234 VanDerWaalsContact CD1-NH2 3.34Å; F212-R234 VanDerWaalsContact CE2-NH2 3.3Å; F212-R234 VanDerWaalsContact CG-NH2 3.26Å; F212-R234 PolarHBondContact N-O 3.48Å; F212-R234 PolarHBondContact O-N 3.42Å |
| 213 | R | 95.3 | Very high | 88.1 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.9 | 178.1 | -173.1 | 170.4 | -179.4 | 93.3 | 3.3 | 110.7 | E171 C195 F196 C198 M233 E319 | E171-R213 IonicContact OE1-NH2 3.06Å; E171-R213 IonicContact OE2-CZ 2.79Å; E171-R213 IonicContact OE2-NE 2.7Å; E171-R213 PolarHBondContact OE2-NE 3.4Å; E171-R213 IonicContact OE2-NH2 3.9Å; E171-R213 PolarHBondContact OE2-NH2 2.78Å; C195-R213 CarbonylContact C-O 3.56Å; C195-R213 WeakPolarHBondContact CA-O 3.18Å; C195-R213 WeakPolarHBondContact CB-O 2.88Å; F196-R213 HydrophobicContact CE1-CB 4.25Å; F196-R213 HydrophobicContact CZ-CB 4.21Å; F196-R213 PolarHBondContact N-O 3.02Å; F196-R213 PolarHBondContact O-N 2.76Å; C198-R213 WeakPolarHBondContact SG-CB 3.4Å; R213-M233 HydrophobicContact CB-CG 4.48Å; R213-M233 HydrophobicContact CG-CG 4.22Å; R213-E319 IonicContact NH2-OE1 3.84Å |
| 214 | Y | 94.6 | Very high | 86.8 | Confident | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 131.5 | 175.4 | -72 | -89.9 | 0 | 0 | 0 | 110.4 | E187 S194 C195 T216 A218 K231 K232 R234 | E187-Y214 HydrophobicContact CG-CE1 4.49Å; E187-Y214 WeakPolarHBondContact OE1-CE1 3.15Å; E187-Y214 PolarHBondContact OE1-OH 2.74Å; S194-Y214 WeakPolarHBondContact O-CA 3.48Å; C195-Y214 HydrophobicContact CB-CD1 3.85Å; C195-Y214 HydrophobicContact CB-CE1 4.17Å; C195-Y214 HydrophobicContact CB-CG 4.07Å; Y214-T216 WeakPolarHBondContact CB-O 3.47Å; Y214-A218 HydrophobicContact CD1-CB 3.88Å; Y214-A218 HydrophobicContact CE1-CB 4.04Å; Y214-K231 HydrophobicContact CD2-CB 4.02Å; Y214-K231 HydrophobicContact CE2-CB 3.84Å; Y214-K231 HydrophobicContact CE2-CD 4.31Å; Y214-K232 PolarHBondContact N-O 3.48Å; Y214-K232 PolarHBondContact O-NZ 3.11Å; Y214-R234 HydrophobicContact CE2-CB 3.98Å |
| 215 | C | 91.4 | Very high | 85.3 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | -39.4 | -179.8 | -64.5 | 0 | 0 | 0 | 0 | 111.1 | V174 L175 L185 S194 | V174-C215 HydrophobicContact CG1-CB 3.94Å; V174-C215 VanDerWaalsContact CG1-SG 3.6Å; L175-C215 WeakPolarHBondContact CD2-O 3.43Å; L185-C215 HydrophobicContact CD1-CB 4.26Å; L185-C215 HydrophobicContact CD2-CB 4.15Å; S194-C215 PolarHBondContact O-N 2.94Å |
| 216 | T | 89.4 | Confident | 84.2 | Confident | 43 Ų | 43 | 36.7 Ų | 36.7 | 26% | 0.264 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 153.6 | 171.3 | 44 | 0 | 0 | 0 | 0 | 110.5 | L175 L185 Y214 A218 | L175-T216 HydrophobicContact CD2-CG2 3.45Å; L175-T216 VanDerWaalsContact CD2-CG2 3.45Å; L185-T216 HydrophobicContact CB-CG2 4.5Å; L185-T216 HydrophobicContact CD1-CG2 3.4Å; L185-T216 VanDerWaalsContact CD1-CG2 3.4Å; Y214-T216 WeakPolarHBondContact CB-O 3.47Å; T216-A218 PolarHBondContact O-N 3.05Å |
| 217 | P | 82.4 | Confident | 83.4 | Confident | 53 Ų | 53 | 44.4 Ų | 44.4 | 34% | 0.344 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 112 | 171.4 | -25.3 | 36.1 | 0 | 0 | 0 | 111.7 | Y230 Y259 | P217-Y230 HydrophobicContact CB-CD1 4.27Å; P217-Y230 HydrophobicContact CB-CG 4.29Å; P217-Y259 HydrophobicContact CB-CE1 3.61Å; P217-Y259 WeakPolarHBondContact CB-OH 3.35Å; P217-Y259 HydrophobicContact CG-CE1 3.74Å; P217-Y259 VanDerWaalsContact CG-OH 3.27Å; P217-Y259 WeakPolarHBondContact CG-OH 3.41Å |
| 218 | A | 86.2 | Confident | 83 | Confident | 12 Ų | 12 | 48.1 Ų | 48.1 | 10% | 0.099 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 133.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y214 T216 Y220 Y230 K231 | Y214-A218 HydrophobicContact CD1-CB 3.88Å; Y214-A218 HydrophobicContact CE1-CB 4.04Å; T216-A218 PolarHBondContact O-N 3.05Å; A218-Y220 PolarHBondContact O-N 3.02Å; A218-Y230 CarbonylContact O-C 3.59Å; A218-Y230 WeakPolarHBondContact O-CA 3.45Å; A218-K231 PolarHBondContact N-O 2.99Å; A218-K231 PolarHBondContact O-N 2.75Å |
| 219 | A | 87.4 | Confident | 82.8 | Confident | 50 Ų | 50 | 46.9 Ų | 46.9 | 41% | 0.413 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 139.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T221 Y230 K231 | A219-T221 HydrophobicContact CB-CG2 4.46Å; A219-T221 PolarHBondContact O-N 2.85Å; A219-Y230 HydrophobicContact CB-CE1 4.5Å; A219-K231 VanDerWaalsContact O-CE 3.29Å; A219-K231 WeakPolarHBondContact O-CE 3.44Å |
| 220 | Y | 84.3 | Confident | 82.6 | Confident | 17 Ų | 17 | 49.8 Ų | 49.8 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | trans | -79.8 | 102.4 | 172 | -165.8 | -89.4 | 0 | 0 | 0 | 109.1 | A218 A222 L229 K231 F256 W286 D308 Y309 | A218-Y220 PolarHBondContact O-N 3.02Å; Y220-A222 VanDerWaalsContact C-N 3.32Å; Y220-A222 HydrophobicContact CD1-CB 3.6Å; Y220-A222 HydrophobicContact CE1-CB 3.33Å; Y220-A222 PolarHBondContact O-N 3.05Å; Y220-L229 WeakPolarHBondContact CB-O 3.16Å; Y220-L229 HydrophobicContact CD1-CD2 4.01Å; Y220-L229 HydrophobicContact CD2-CD2 4.19Å; Y220-L229 HydrophobicContact CG-CD2 3.77Å; Y220-L229 HydrophobicContact CG-CG 4.45Å; Y220-L229 PolarHBondContact N-O 2.86Å; Y220-K231 HydrophobicContact CD2-CD 3.91Å; Y220-K231 HydrophobicContact CD2-CG 3.74Å; Y220-F256 AromaticContact CE2-CD2 3.99Å; Y220-F256 HydrophobicContact CE2-CD2 3.99Å; Y220-F256 HydrophobicContact CE2-CE2 4.39Å; Y220-F256 HydrophobicContact CE2-CG 4.22Å; Y220-W286 HydrophobicContact CE1-CE3 4.09Å; Y220-W286 AromaticContact CE1-CZ3 3.91Å; Y220-W286 HydrophobicContact CE1-CZ3 3.91Å; Y220-W286 HydrophobicContact CE2-CE3 4.2Å; Y220-W286 AromaticContact CZ-CE3 3.52Å; Y220-W286 AromaticContact CZ-CZ3 3.82Å; Y220-D308 PolarHBondContact OH-O 3.04Å; Y220-Y309 HydrophobicContact CD2-CD2 4.39Å; Y220-Y309 HydrophobicContact CE1-CD2 4.31Å; Y220-Y309 HydrophobicContact CE1-CG 4.35Å; Y220-Y309 AromaticContact CE2-CD2 3.74Å; Y220-Y309 HydrophobicContact CE2-CD2 3.74Å; Y220-Y309 HydrophobicContact CE2-CE2 4.48Å; Y220-Y309 AromaticContact CZ-CD2 3.66Å; Y220-Y309 WeakPolarHBondContact OH-CA 3.15Å | ||
| 221 | T | 76.9 | Confident | 82.4 | Confident | 60 Ų | 60 | 50 Ų | 50 | 37% | 0.368 | 25% | 0.246 | S | C | . | . | trans | -91.2 | 51.5 | -170.2 | 47.7 | 0 | 0 | 0 | 0 | 113.2 | A219 P305 | A219-T221 HydrophobicContact CB-CG2 4.46Å; A219-T221 PolarHBondContact O-N 2.85Å; T221-P305 WeakPolarHBondContact O-CD 3.44Å | ||
| 222 | A | 72.1 | Confident | 82.3 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | trans | -89 | 143.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y220 H224 W286 G307 | Y220-A222 VanDerWaalsContact C-N 3.32Å; Y220-A222 HydrophobicContact CD1-CB 3.6Å; Y220-A222 HydrophobicContact CE1-CB 3.33Å; Y220-A222 PolarHBondContact O-N 3.05Å; A222-H224 PolarHBondContact O-N 2.79Å; A222-W286 HydrophobicContact CB-CH2 4.22Å; A222-W286 HydrophobicContact CB-CZ3 3.88Å; A222-G307 VanDerWaalsContact CB-O 3.28Å; A222-G307 WeakPolarHBondContact CB-O 3.36Å | ||
| 223 | S | 63.8 | Low | 82.2 | Confident | 49 Ų | 49 | 48.8 Ų | 48.8 | 34% | 0.343 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -61.8 | -35.2 | 179 | 61.9 | 0 | 0 | 0 | 0 | 114.8 | P306 G307 | S223-P306 WeakPolarHBondContact OG-CA 3.26Å; S223-G307 PolarHBondContact OG-O 3.47Å |
| 224 | H | 63.7 | Low | 82.3 | Confident | 117 Ų | 117 | 51.1 Ų | 51.1 | 54% | 0.542 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -118.2 | 81.8 | -174.3 | -66.7 | -76.8 | 0 | 0 | 0 | 110.4 | A222 L289 | A222-H224 PolarHBondContact O-N 2.79Å; H224-L289 HydrophobicContact CB-CD1 4.29Å |
| 225 | F | 57.5 | Low | 82.4 | Confident | 158 Ų | 158 | 51 Ų | 51 | 69% | 0.693 | 25% | 0.249 | S | C | * | . | S | Bend | trans | 69.9 | 157.5 | 171.1 | -116.8 | -104.7 | 0 | 0 | 0 | 117.1 | ||
| 226 | P | 62.5 | Low | 82.7 | Confident | 25 Ų | 25 | 51.9 Ų | 51.9 | 16% | 0.162 | 25% | 0.254 | C | S | . | . | cis | -98.5 | 148.4 | -12.7 | 7.7 | 14.7 | 0 | 0 | 0 | 113.3 | L229 | P226-L229 HydrophobicContact CB-CB 4.43Å; P226-L229 HydrophobicContact CG-CB 3.95Å; P226-L229 HydrophobicContact CG-CD1 4.5Å; P226-L229 HydrophobicContact CG-CD2 3.88Å; P226-L229 HydrophobicContact CG-CG 4.33Å | ||
| 227 | R | 70.4 | Confident | 83 | Confident | 204 Ų | 204 | 50.4 Ų | 50.4 | 77% | 0.77 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 142.5 | 163.7 | -61.5 | -178.1 | -174.6 | 178.5 | 1.7 | 109.2 | L229 | R227-L229 VanDerWaalsContact C-N 3.35Å; R227-L229 PolarHBondContact O-N 3.4Å |
| 228 | Y | 83.1 | Confident | 83.6 | Confident | 128 Ų | 128 | 50.3 Ų | 50.3 | 50% | 0.502 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 28.3 | 177.7 | -39.7 | -74.6 | 0 | 0 | 0 | 115.3 | Y230 R260 D261 | Y228-Y230 WeakPolarHBondContact O-CD2 3.48Å; Y228-Y230 WeakPolarHBondContact O-CE2 3.18Å; Y228-R260 WeakPolarHBondContact O-CA 3.3Å; Y228-D261 PolarHBondContact O-N 2.9Å |
| 229 | L | 89.6 | Confident | 83.8 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.3 | 167.9 | -170.4 | 72.5 | 0 | 0 | 0 | 109.4 | Y220 P226 R227 C258 R260 Y309 | Y220-L229 WeakPolarHBondContact CB-O 3.16Å; Y220-L229 HydrophobicContact CD1-CD2 4.01Å; Y220-L229 HydrophobicContact CD2-CD2 4.19Å; Y220-L229 HydrophobicContact CG-CD2 3.77Å; Y220-L229 HydrophobicContact CG-CG 4.45Å; Y220-L229 PolarHBondContact N-O 2.86Å; P226-L229 HydrophobicContact CB-CB 4.43Å; P226-L229 HydrophobicContact CG-CB 3.95Å; P226-L229 HydrophobicContact CG-CD1 4.5Å; P226-L229 HydrophobicContact CG-CD2 3.88Å; P226-L229 HydrophobicContact CG-CG 4.33Å; R227-L229 VanDerWaalsContact C-N 3.35Å; R227-L229 PolarHBondContact O-N 3.4Å; L229-C258 HydrophobicContact CD1-CB 3.51Å; L229-C258 HydrophobicContact CD2-CB 4.17Å; L229-C258 HydrophobicContact CG-CB 3.76Å; L229-R260 HydrophobicContact CD1-CB 4.13Å; L229-Y309 HydrophobicContact CD2-CD1 3.69Å; L229-Y309 HydrophobicContact CD2-CD2 3.94Å; L229-Y309 HydrophobicContact CD2-CE1 4.05Å; L229-Y309 HydrophobicContact CD2-CE2 4.27Å; L229-Y309 HydrophobicContact CD2-CG 3.61Å |
| 230 | Y | 92.4 | Very high | 83.6 | Confident | 61 Ų | 61 | 51.7 Ų | 51.7 | 24% | 0.239 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 132.2 | -177.6 | -58.9 | -90.4 | 0 | 0 | 0 | 110.9 | P217 A218 A219 Y228 C258 Y259 D261 | P217-Y230 HydrophobicContact CB-CD1 4.27Å; P217-Y230 HydrophobicContact CB-CG 4.29Å; A218-Y230 CarbonylContact O-C 3.59Å; A218-Y230 WeakPolarHBondContact O-CA 3.45Å; A219-Y230 HydrophobicContact CB-CE1 4.5Å; Y228-Y230 WeakPolarHBondContact O-CD2 3.48Å; Y228-Y230 WeakPolarHBondContact O-CE2 3.18Å; Y230-C258 CarbonylContact O-C 3.48Å; Y230-C258 WeakPolarHBondContact O-CA 3.29Å; Y230-C258 WeakPolarHBondContact O-CB 3.11Å; Y230-Y259 HydrophobicContact CD2-CD2 4.14Å; Y230-Y259 AromaticContact CD2-CE2 3.45Å; Y230-Y259 HydrophobicContact CD2-CE2 3.45Å; Y230-Y259 VanDerWaalsContact CD2-CE2 3.45Å; Y230-Y259 AromaticContact CD2-CZ 3.77Å; Y230-Y259 HydrophobicContact CE2-CE2 4.24Å; Y230-Y259 HydrophobicContact CG-CE1 4.43Å; Y230-Y259 AromaticContact CG-CE2 3.98Å; Y230-Y259 HydrophobicContact CG-CE2 3.98Å; Y230-Y259 AromaticContact CG-CZ 3.79Å; Y230-Y259 PolarHBondContact N-O 3.46Å; Y230-Y259 PolarHBondContact O-N 3.3Å; Y230-D261 WeakPolarHBondContact CE2-OD2 3.33Å |
| 231 | K | 93.6 | Very high | 83.1 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 136.2 | 177.1 | -62.6 | 173.9 | -69 | -172.3 | 0 | 110.2 | E187 Y214 A218 A219 Y220 F256 | E187-K231 IonicContact OE1-NZ 2.87Å; E187-K231 PolarHBondContact OE1-NZ 3.42Å; E187-K231 WeakPolarHBondContact OE2-CE 3.33Å; E187-K231 IonicContact OE2-NZ 2.9Å; E187-K231 PolarHBondContact OE2-NZ 2.76Å; Y214-K231 HydrophobicContact CD2-CB 4.02Å; Y214-K231 HydrophobicContact CE2-CB 3.84Å; Y214-K231 HydrophobicContact CE2-CD 4.31Å; A218-K231 PolarHBondContact N-O 2.99Å; A218-K231 PolarHBondContact O-N 2.75Å; A219-K231 VanDerWaalsContact O-CE 3.29Å; A219-K231 WeakPolarHBondContact O-CE 3.44Å; Y220-K231 HydrophobicContact CD2-CD 3.91Å; Y220-K231 HydrophobicContact CD2-CG 3.74Å; K231-F256 HydrophobicContact CD-CD1 3.72Å; K231-F256 HydrophobicContact CD-CE1 3.75Å; K231-F256 HydrophobicContact CG-CD1 3.96Å; K231-F256 HydrophobicContact CG-CE1 4.49Å |
| 232 | K | 94.7 | Very high | 82.3 | Confident | 10 Ų | 10 | 62 Ų | 62 | 4% | 0.043 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | -36.3 | 172.6 | -174.5 | 58.5 | 176 | 168.6 | 0 | 112.6 | E171 Y214 L257 W281 E319 | E171-K232 IonicContact OE1-NZ 3.16Å; E171-K232 PolarHBondContact OE1-NZ 3.23Å; E171-K232 IonicContact OE2-NZ 2.74Å; Y214-K232 PolarHBondContact N-O 3.48Å; Y214-K232 PolarHBondContact O-NZ 3.11Å; K232-L257 HydrophobicContact CB-CD2 4.17Å; K232-L257 HydrophobicContact CB-CG 4.37Å; K232-L257 HydrophobicContact CG-CD2 4.25Å; K232-L257 PolarHBondContact N-O 3.37Å; K232-W281 HydrophobicContact CB-CH2 4.17Å; K232-W281 HydrophobicContact CB-CZ3 3.65Å; K232-W281 HydrophobicContact CG-CH2 4.01Å; K232-W281 HydrophobicContact CG-CZ3 3.82Å; K232-E319 WeakPolarHBondContact CE-OE1 3.44Å |
| 233 | M | 95.7 | Very high | 81.1 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 151.9 | 174.7 | -63.1 | 179.3 | 64.9 | 0 | 0 | 110.5 | I211 F212 R213 W235 F256 L257 H322 A325 | I211-M233 HydrophobicContact CG2-CE 3.59Å; F212-M233 CarbonylContact O-C 3.54Å; F212-M233 WeakPolarHBondContact O-CA 3.35Å; R213-M233 HydrophobicContact CB-CG 4.48Å; R213-M233 HydrophobicContact CG-CG 4.22Å; M233-W235 HydrophobicContact CB-CH2 4.13Å; M233-W235 HydrophobicContact CB-CZ2 4.21Å; M233-W235 HydrophobicContact CB-CZ3 4.39Å; M233-W235 HydrophobicContact CE-CZ2 3.86Å; M233-W235 HydrophobicContact SD-CZ2 4.23Å; M233-F256 VanDerWaalsContact O-CA 3.31Å; M233-F256 WeakPolarHBondContact O-CA 3.34Å; M233-L257 HydrophobicContact CB-CB 3.9Å; M233-L257 HydrophobicContact CB-CD2 4.43Å; M233-L257 HydrophobicContact CG-CD2 4.17Å; M233-L257 PolarHBondContact N-O 2.96Å; M233-L257 PolarHBondContact O-N 3.37Å; M233-L257 HydrophobicContact SD-CD2 4.1Å; M233-H322 HydrophobicContact CE-CB 4.06Å; M233-H322 WeakPolarHBondContact CE-ND1 3.32Å; M233-H322 HydrophobicContact SD-CB 4.17Å; M233-A325 HydrophobicContact SD-CB 4.36Å |
| 234 | R | 96.2 | Very high | 80.2 | Confident | 54 Ų | 54 | 67.7 Ų | 67.7 | 20% | 0.204 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.5 | 173.1 | 177.4 | -172.1 | 76.9 | -171.4 | 1.2 | 109 | F212 Y214 N236 Y255 F256 | F212-R234 HydrophobicContact CB-CB 4.29Å; F212-R234 VanDerWaalsContact CD1-NH2 3.34Å; F212-R234 VanDerWaalsContact CE2-NH2 3.3Å; F212-R234 VanDerWaalsContact CG-NH2 3.26Å; F212-R234 PolarHBondContact N-O 3.48Å; F212-R234 PolarHBondContact O-N 3.42Å; Y214-R234 HydrophobicContact CE2-CB 3.98Å; R234-N236 WeakPolarHBondContact CD-OD1 3.37Å; R234-N236 WeakPolarHBondContact CG-OD1 3.34Å; R234-N236 PolarHBondContact NE-OD1 2.86Å; R234-Y255 CarbonylContact C-O 3.5Å; R234-Y255 WeakPolarHBondContact CA-O 3.21Å; R234-F256 HydrophobicContact CB-CD1 3.89Å; R234-F256 HydrophobicContact CB-CE1 3.73Å; R234-F256 HydrophobicContact CG-CD1 4.06Å; R234-F256 HydrophobicContact CG-CE1 3.54Å; R234-F256 HydrophobicContact CG-CZ 3.93Å |
| 235 | W | 97.9 | Very high | 79.5 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 0% | 0.004 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 134.5 | 167.2 | -59.6 | -93.8 | 0 | 0 | 0 | 109.8 | V209 S210 M233 Y255 L257 A325 T326 L329 | V209-W235 HydrophobicContact CG1-CB 4.12Å; V209-W235 HydrophobicContact CG1-CG 4.36Å; S210-W235 CarbonylContact O-C 3.55Å; S210-W235 VanDerWaalsContact O-CA 3.27Å; S210-W235 WeakPolarHBondContact O-CA 3.31Å; M233-W235 HydrophobicContact CB-CH2 4.13Å; M233-W235 HydrophobicContact CB-CZ2 4.21Å; M233-W235 HydrophobicContact CB-CZ3 4.39Å; M233-W235 HydrophobicContact CE-CZ2 3.86Å; M233-W235 HydrophobicContact SD-CZ2 4.23Å; W235-Y255 PolarHBondContact N-O 2.64Å; W235-Y255 PolarHBondContact O-N 2.9Å; W235-L257 HydrophobicContact CH2-CB 3.66Å; W235-L257 HydrophobicContact CZ3-CB 3.71Å; W235-L257 VanDerWaalsContact CZ3-N 3.29Å; W235-A325 HydrophobicContact CH2-CB 3.93Å; W235-A325 HydrophobicContact CZ2-CB 3.99Å; W235-T326 PolarHBondContact NE1-OG1 3.47Å; W235-T326 VanDerWaalsContact NE1-OG1 3.17Å; W235-L329 HydrophobicContact CB-CD2 3.45Å; W235-L329 VanDerWaalsContact CB-CD2 3.45Å; W235-L329 HydrophobicContact CD2-CD2 3.39Å; W235-L329 HydrophobicContact CE3-CD2 3.79Å; W235-L329 HydrophobicContact CG-CD2 3.22Å |
| 236 | N | 97 | Very high | 79.1 | Confident | 18 Ų | 18 | 69.2 Ų | 69.2 | 10% | 0.096 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 117.8 | 172.5 | -59.4 | 3.2 | 0 | 0 | 0 | 107.2 | V209 S210 R234 V252 Y254 | V209-N236 WeakPolarHBondContact CA-O 3.18Å; S210-N236 PolarHBondContact N-O 2.89Å; S210-N236 PolarHBondContact O-N 3.27Å; R234-N236 WeakPolarHBondContact CD-OD1 3.37Å; R234-N236 WeakPolarHBondContact CG-OD1 3.34Å; R234-N236 PolarHBondContact NE-OD1 2.86Å; N236-V252 HydrophobicContact CB-CG1 4.01Å; N236-Y254 VanDerWaalsContact OD1-CD1 3.32Å; N236-Y254 WeakPolarHBondContact OD1-CD1 3.31Å |
| 237 | L | 95.6 | Very high | 78.5 | Confident | 13 Ų | 13 | 70.7 Ų | 70.7 | 7% | 0.068 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 103.3 | 172.9 | 178.5 | 67.5 | 0 | 0 | 0 | 108.5 | H207 D208 V209 V252 D253 Y255 L333 | H207-L237 HydrophobicContact CB-CD1 4.07Å; D208-L237 CarbonylContact O-C 3.44Å; D208-L237 WeakPolarHBondContact O-CA 3.35Å; V209-L237 HydrophobicContact CG2-CD1 3.63Å; L237-V252 WeakPolarHBondContact O-CA 3.12Å; L237-D253 HydrophobicContact CB-CB 4.35Å; L237-D253 PolarHBondContact N-O 3.43Å; L237-D253 PolarHBondContact O-N 2.52Å; L237-Y255 HydrophobicContact CB-CD2 4.29Å; L237-Y255 HydrophobicContact CB-CE2 3.87Å; L237-Y255 HydrophobicContact CD2-CE2 3.9Å; L237-L333 HydrophobicContact CD1-CD1 4.32Å; L237-L333 HydrophobicContact CD2-CD2 3.96Å |
| 238 | E | 94.6 | Very high | 77.5 | Confident | 50 Ų | 50 | 67.1 Ų | 67.1 | 23% | 0.234 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 122.1 | 174.6 | -69.8 | 169.4 | -145.6 | 0 | 0 | 109 | R200 H207 D208 V252 | R200-E238 IonicContact CZ-OE1 3.97Å; R200-E238 IonicContact CZ-OE2 3.83Å; R200-E238 VanDerWaalsContact NH1-CD 3.26Å; R200-E238 IonicContact NH1-OE1 3.04Å; R200-E238 PolarHBondContact NH1-OE1 2.93Å; R200-E238 IonicContact NH1-OE2 3.96Å; R200-E238 PolarHBondContact NH1-OE2 3.1Å; R200-E238 IonicContact NH2-OE2 3.88Å; R200-E238 PolarHBondContact NH2-OE2 3.36Å; H207-E238 WeakPolarHBondContact CA-O 3.36Å; D208-E238 HydrophobicContact CB-CB 4.4Å; D208-E238 PolarHBondContact N-O 3.39Å; D208-E238 PolarHBondContact O-N 3.3Å; E238-V252 HydrophobicContact CG-CG1 4.48Å; E238-V252 HydrophobicContact CG-CG2 4.02Å |
| 239 | T | 90.3 | Very high | 76.3 | Confident | 24 Ų | 24 | 67.8 Ų | 67.8 | 15% | 0.147 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 114.2 | 176.6 | -51.3 | 0 | 0 | 0 | 0 | 109.9 | S206 R251 | S206-T239 CarbonylContact O-C 3.49Å; S206-T239 VanDerWaalsContact O-CA 3.3Å; S206-T239 WeakPolarHBondContact O-CA 3.43Å; T239-R251 PolarHBondContact N-O 3.1Å; T239-R251 PolarHBondContact O-N 3.28Å |
| 240 | T | 83.3 | Confident | 75.2 | Confident | 67 Ų | 67 | 71.2 Ų | 71.2 | 41% | 0.411 | 42% | 0.422 | S | S | . | . | trans | -90.7 | 110.1 | 174.1 | 49.5 | 0 | 0 | 0 | 0 | 109.6 | S206 E242 | S206-T240 VanDerWaalsContact CA-OG1 3.29Å; S206-T240 WeakPolarHBondContact CA-OG1 3.36Å; S206-T240 VanDerWaalsContact CB-O 3.24Å; S206-T240 WeakPolarHBondContact CB-O 3.38Å; S206-T240 PolarHBondContact O-N 3.05Å; S206-T240 PolarHBondContact O-OG1 3.31Å; T240-E242 PolarHBondContact O-N 3.09Å | ||
| 241 | T | 73.6 | Confident | 74.9 | Confident | 103 Ų | 103 | 75.3 Ų | 75.3 | 63% | 0.632 | 44% | 0.437 | S | S | * | . | trans | -90 | 106.1 | 176.8 | -52.3 | 0 | 0 | 0 | 0 | 109.5 | A243 | T241-A243 VanDerWaalsContact C-N 3.28Å; T241-A243 PolarHBondContact O-N 3.21Å | ||
| 242 | E | 59.8 | Low | 74.8 | Confident | 192 Ų | 192 | 77 Ų | 77 | 90% | 0.897 | 45% | 0.448 | S | S | * | . | trans | -78.6 | 73.3 | 170.7 | -66.7 | -121.9 | 160.8 | 0 | 0 | 110.3 | T240 | T240-E242 PolarHBondContact O-N 3.09Š| ||
| 243 | A | 48.5 | Very low | 74.7 | Confident | 79 Ų | 79 | 77.6 Ų | 77.6 | 65% | 0.653 | 45% | 0.452 | S | S | * | . | trans | 170 | 101.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T241 | T241-A243 VanDerWaalsContact C-N 3.28Å; T241-A243 PolarHBondContact O-N 3.21Å | ||
| 244 | S | 44.6 | Very low | 74.7 | Confident | 100 Ų | 100 | 82 Ų | 82 | 70% | 0.699 | 47% | 0.469 | S | S | * | . | 175.1 | 153.3 | 122.9 | 54.9 | 0 | 0 | 0 | 0 | 108.2 | Q246 | S244-Q246 PolarHBondContact O-N 2.88Š| |||
| 245 | S | 48.7 | Very low | 74.7 | Confident | 139 Ų | 139 | 80.2 Ų | 80.2 | 97% | 0.972 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -68.4 | 33.2 | -173.4 | 38.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 246 | Q | 49.4 | Very low | 74.6 | Confident | 167 Ų | 167 | 80.9 Ų | 80.9 | 78% | 0.78 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -141 | 67.7 | -174.1 | -162.1 | 158.2 | -9.7 | 0 | 0 | 110.9 | S244 | S244-Q246 PolarHBondContact O-N 2.88Š|
| 247 | G | 49.6 | Very low | 74.5 | Confident | 57 Ų | 57 | 80 Ų | 80 | 59% | 0.588 | 46% | 0.461 | S | S | * | . | trans | 68.3 | 157.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | D249 | G247-D249 PolarHBondContact O-N 3.48Š| ||
| 248 | P | 50.4 | Low | 74.5 | Confident | 128 Ų | 128 | 79.4 Ų | 79.4 | 83% | 0.831 | 46% | 0.458 | S | S | * | . | trans | -74 | 91 | 170 | 30.2 | -31 | 0 | 0 | 0 | 109.4 | S250 | P248-S250 PolarHBondContact O-N 3.23Š| ||
| 249 | D | 56.8 | Low | 74.4 | Confident | 142 Ų | 142 | 77.7 Ų | 77.7 | 76% | 0.759 | 45% | 0.449 | S | S | * | . | trans | -74.1 | 77.1 | 164.4 | -98 | -11.7 | 0 | 0 | 0 | 108.6 | G247 R251 | G247-D249 PolarHBondContact O-N 3.48Å; D249-R251 PolarHBondContact O-N 2.82Å | ||
| 250 | S | 67.6 | Low | 74.5 | Confident | 79 Ų | 79 | 81.5 Ų | 81.5 | 55% | 0.552 | 46% | 0.461 | S | S | * | . | trans | -72.4 | 108.9 | 170.7 | 60.2 | 0 | 0 | 0 | 0 | 108.7 | P248 | P248-S250 PolarHBondContact O-N 3.23Š| ||
| 251 | R | 85.4 | Confident | 74.8 | Confident | 147 Ų | 147 | 79.9 Ų | 79.9 | 56% | 0.555 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 131.2 | 174.5 | -178.2 | 178.4 | 173 | 158 | 5.6 | 109.6 | T239 D249 D253 | T239-R251 PolarHBondContact N-O 3.1Å; T239-R251 PolarHBondContact O-N 3.28Å; D249-R251 PolarHBondContact O-N 2.82Å; R251-D253 IonicContact CZ-OD1 2.78Å; R251-D253 IonicContact NE-OD1 3.44Å; R251-D253 PolarHBondContact NE-OD1 3.34Å; R251-D253 IonicContact NE-OD2 3.85Å; R251-D253 IonicContact NH2-OD1 3.93Å; R251-D253 PolarHBondContact NH2-OD1 3.01Å |
| 252 | V | 90.9 | Very high | 75.3 | Confident | 48 Ų | 48 | 76.4 Ų | 76.4 | 29% | 0.291 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 118.7 | 174 | -171.3 | 0 | 0 | 0 | 0 | 109.6 | N236 L237 E238 Y254 | N236-V252 HydrophobicContact CB-CG1 4.01Å; L237-V252 WeakPolarHBondContact O-CA 3.12Å; E238-V252 HydrophobicContact CG-CG1 4.48Å; E238-V252 HydrophobicContact CG-CG2 4.02Å; V252-Y254 HydrophobicContact CG1-CD1 4.4Å; V252-Y254 HydrophobicContact CG1-CE1 3.89Å; V252-Y254 HydrophobicContact CG1-CE2 4.38Å |
| 253 | D | 93.1 | Very high | 75.9 | Confident | 22 Ų | 22 | 75.2 Ų | 75.2 | 12% | 0.118 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134.7 | 170 | -73 | -49.1 | 0 | 0 | 0 | 109.6 | L237 R251 Y255 R285 | L237-D253 HydrophobicContact CB-CB 4.35Å; L237-D253 PolarHBondContact N-O 3.43Å; L237-D253 PolarHBondContact O-N 2.52Å; R251-D253 IonicContact CZ-OD1 2.78Å; R251-D253 IonicContact NE-OD1 3.44Å; R251-D253 PolarHBondContact NE-OD1 3.34Å; R251-D253 IonicContact NE-OD2 3.85Å; R251-D253 IonicContact NH2-OD1 3.93Å; R251-D253 PolarHBondContact NH2-OD1 3.01Å; D253-Y255 HydrophobicContact CB-CE2 3.85Å; D253-R285 IonicContact OD1-CZ 2.59Å; D253-R285 IonicContact OD1-NE 3.19Å; D253-R285 IonicContact OD1-NH2 3.74Å; D253-R285 PolarHBondContact OD1-NH2 3.49Å; D253-R285 IonicContact OD2-NH2 2.77Å; D253-R285 PolarHBondContact OD2-NH2 3.32Å |
| 254 | Y | 94.6 | Very high | 76.5 | Confident | 91 Ų | 91 | 75.6 Ų | 75.6 | 36% | 0.357 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 132.8 | -179.3 | -57.2 | -81.6 | 0 | 0 | 0 | 111.6 | N236 V252 W286 | N236-Y254 VanDerWaalsContact OD1-CD1 3.32Å; N236-Y254 WeakPolarHBondContact OD1-CD1 3.31Å; V252-Y254 HydrophobicContact CG1-CD1 4.4Å; V252-Y254 HydrophobicContact CG1-CE1 3.89Å; V252-Y254 HydrophobicContact CG1-CE2 4.38Å; Y254-W286 PolarHBondContact O-N 3.12Å |
| 255 | Y | 96.3 | Very high | 76.9 | Confident | 17 Ų | 17 | 78.2 Ų | 78.2 | 7% | 0.067 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 149.3 | 174.8 | -61.3 | -99.2 | 0 | 0 | 0 | 109.6 | R234 W235 L237 D253 G284 R285 L312 L329 L333 | R234-Y255 CarbonylContact C-O 3.5Å; R234-Y255 WeakPolarHBondContact CA-O 3.21Å; W235-Y255 PolarHBondContact N-O 2.64Å; W235-Y255 PolarHBondContact O-N 2.9Å; L237-Y255 HydrophobicContact CB-CD2 4.29Å; L237-Y255 HydrophobicContact CB-CE2 3.87Å; L237-Y255 HydrophobicContact CD2-CE2 3.9Å; D253-Y255 HydrophobicContact CB-CE2 3.85Å; Y255-G284 CarbonylContact C-O 3.56Å; Y255-G284 WeakPolarHBondContact CA-O 3.36Å; Y255-R285 HydrophobicContact CD1-CB 3.92Å; Y255-R285 HydrophobicContact CD1-CG 4.36Å; Y255-R285 HydrophobicContact CE1-CB 3.84Å; Y255-R285 HydrophobicContact CE1-CG 4.02Å; Y255-L312 HydrophobicContact CD1-CD1 3.87Å; Y255-L312 HydrophobicContact CE1-CD1 3.72Å; Y255-L329 HydrophobicContact CD1-CD1 3.76Å; Y255-L329 HydrophobicContact CE1-CD1 4.42Å; Y255-L329 HydrophobicContact CG-CD1 3.86Å; Y255-L333 HydrophobicContact CE1-CD2 4.07Å; Y255-L333 HydrophobicContact CE2-CD2 4.08Å |
| 256 | F | 95.8 | Very high | 77.1 | Confident | 15 Ų | 15 | 75.6 Ų | 75.6 | 7% | 0.066 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 137.1 | -175.4 | -63.3 | -90 | 0 | 0 | 0 | 111.5 | Y220 K231 M233 R234 I283 G284 W286 Y309 | Y220-F256 AromaticContact CE2-CD2 3.99Å; Y220-F256 HydrophobicContact CE2-CD2 3.99Å; Y220-F256 HydrophobicContact CE2-CE2 4.39Å; Y220-F256 HydrophobicContact CE2-CG 4.22Å; K231-F256 HydrophobicContact CD-CD1 3.72Å; K231-F256 HydrophobicContact CD-CE1 3.75Å; K231-F256 HydrophobicContact CG-CD1 3.96Å; K231-F256 HydrophobicContact CG-CE1 4.49Å; M233-F256 VanDerWaalsContact O-CA 3.31Å; M233-F256 WeakPolarHBondContact O-CA 3.34Å; R234-F256 HydrophobicContact CB-CD1 3.89Å; R234-F256 HydrophobicContact CB-CE1 3.73Å; R234-F256 HydrophobicContact CG-CD1 4.06Å; R234-F256 HydrophobicContact CG-CE1 3.54Å; R234-F256 HydrophobicContact CG-CZ 3.93Å; F256-I283 WeakPolarHBondContact O-CA 3.37Å; F256-G284 PolarHBondContact N-O 3.3Å; F256-G284 PolarHBondContact O-N 2.9Å; F256-W286 HydrophobicContact CD2-CB 4.37Å; F256-W286 HydrophobicContact CE2-CB 3.84Å; F256-Y309 HydrophobicContact CB-CE2 4.38Å |
| 257 | L | 96.7 | Very high | 77.3 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 118.9 | 159.7 | 178.8 | 67.7 | 0 | 0 | 0 | 106.5 | K232 M233 W235 W281 I283 I315 P320 A325 | K232-L257 HydrophobicContact CB-CD2 4.17Å; K232-L257 HydrophobicContact CB-CG 4.37Å; K232-L257 HydrophobicContact CG-CD2 4.25Å; K232-L257 PolarHBondContact N-O 3.37Å; M233-L257 HydrophobicContact CB-CB 3.9Å; M233-L257 HydrophobicContact CB-CD2 4.43Å; M233-L257 HydrophobicContact CG-CD2 4.17Å; M233-L257 PolarHBondContact N-O 2.96Å; M233-L257 PolarHBondContact O-N 3.37Å; M233-L257 HydrophobicContact SD-CD2 4.1Å; W235-L257 HydrophobicContact CH2-CB 3.66Å; W235-L257 HydrophobicContact CZ3-CB 3.71Å; W235-L257 VanDerWaalsContact CZ3-N 3.29Å; L257-W281 HydrophobicContact CD1-CE3 4.15Å; L257-W281 HydrophobicContact CD2-CE3 4.23Å; L257-W281 HydrophobicContact CD2-CZ3 4.13Å; L257-W281 HydrophobicContact CG-CE3 4.03Å; L257-W281 HydrophobicContact CG-CZ3 4.2Å; L257-I283 HydrophobicContact CD1-CG1 4.06Å; L257-I315 HydrophobicContact CD1-CD1 3.75Å; L257-P320 HydrophobicContact CD1-CG 3.83Å; L257-P320 HydrophobicContact CD2-CG 3.88Å; L257-P320 HydrophobicContact CG-CG 4.49Å; L257-A325 HydrophobicContact CD1-CB 4.47Å; L257-A325 HydrophobicContact CD2-CB 3.99Å |
| 258 | C | 94.9 | Very high | 77.3 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 152.9 | 178.6 | -62.6 | 0 | 0 | 0 | 0 | 110.5 | L229 Y230 W281 S282 Y309 | L229-C258 HydrophobicContact CD1-CB 3.51Å; L229-C258 HydrophobicContact CD2-CB 4.17Å; L229-C258 HydrophobicContact CG-CB 3.76Å; Y230-C258 CarbonylContact O-C 3.48Å; Y230-C258 WeakPolarHBondContact O-CA 3.29Å; Y230-C258 WeakPolarHBondContact O-CB 3.11Å; C258-W281 WeakPolarHBondContact O-CA 3.48Å; C258-S282 PolarHBondContact N-O 3.4Å; C258-S282 PolarHBondContact O-N 2.96Å; C258-S282 VanDerWaalsContact O-O 3.1Å; C258-Y309 HydrophobicContact CB-CE2 4.3Å |
| 259 | Y | 93.4 | Very high | 77.5 | Confident | 15 Ų | 15 | 73 Ų | 73 | 6% | 0.059 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 150.6 | 159.5 | 72.3 | -95.9 | 0 | 0 | 0 | 110.4 | P217 Y230 D261 K279 L280 W281 | P217-Y259 HydrophobicContact CB-CE1 3.61Å; P217-Y259 WeakPolarHBondContact CB-OH 3.35Å; P217-Y259 HydrophobicContact CG-CE1 3.74Å; P217-Y259 VanDerWaalsContact CG-OH 3.27Å; P217-Y259 WeakPolarHBondContact CG-OH 3.41Å; Y230-Y259 HydrophobicContact CD2-CD2 4.14Å; Y230-Y259 AromaticContact CD2-CE2 3.45Å; Y230-Y259 HydrophobicContact CD2-CE2 3.45Å; Y230-Y259 VanDerWaalsContact CD2-CE2 3.45Å; Y230-Y259 AromaticContact CD2-CZ 3.77Å; Y230-Y259 HydrophobicContact CE2-CE2 4.24Å; Y230-Y259 HydrophobicContact CG-CE1 4.43Å; Y230-Y259 AromaticContact CG-CE2 3.98Å; Y230-Y259 HydrophobicContact CG-CE2 3.98Å; Y230-Y259 AromaticContact CG-CZ 3.79Å; Y230-Y259 PolarHBondContact N-O 3.46Å; Y230-Y259 PolarHBondContact O-N 3.3Å; Y259-D261 WeakPolarHBondContact CE2-OD1 3.47Å; Y259-K279 HydrophobicContact CD1-CD 4.45Å; Y259-K279 HydrophobicContact CD2-CB 4Å; Y259-K279 HydrophobicContact CD2-CD 3.78Å; Y259-K279 HydrophobicContact CD2-CG 3.72Å; Y259-K279 HydrophobicContact CE1-CD 4.44Å; Y259-K279 HydrophobicContact CE2-CD 3.82Å; Y259-K279 HydrophobicContact CE2-CG 4.03Å; Y259-K279 HydrophobicContact CG-CB 4.25Å; Y259-K279 HydrophobicContact CG-CD 4.12Å; Y259-K279 HydrophobicContact CG-CG 4.32Å; Y259-L280 CarbonylContact C-O 3.55Å; Y259-L280 VanDerWaalsContact CA-O 3.25Å; Y259-L280 WeakPolarHBondContact CA-O 3.47Å; Y259-W281 HydrophobicContact CD1-CE3 4.42Å; Y259-W281 AromaticContact CD1-CH2 3.55Å; Y259-W281 HydrophobicContact CD1-CH2 3.55Å; Y259-W281 AromaticContact CD1-CZ2 3.94Å; Y259-W281 HydrophobicContact CD1-CZ2 3.94Å; Y259-W281 AromaticContact CD1-CZ3 3.81Å; Y259-W281 HydrophobicContact CD1-CZ3 3.81Å; Y259-W281 HydrophobicContact CE1-CH2 4.33Å; Y259-W281 HydrophobicContact CG-CH2 4.26Å; Y259-W281 HydrophobicContact CG-CZ2 4.28Å; Y259-W281 HydrophobicContact CG-CZ3 4.41Å |
| 260 | R | 91.6 | Very high | 77.4 | Confident | 104 Ų | 104 | 71.4 Ų | 71.4 | 39% | 0.392 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 135.1 | 170.1 | 176.4 | 178.1 | 166.3 | -175.6 | -3.5 | 109.2 | Y228 L229 T262 L280 | Y228-R260 WeakPolarHBondContact O-CA 3.3Å; L229-R260 HydrophobicContact CD1-CB 4.13Å; R260-T262 PolarHBondContact O-N 3.33Å; R260-L280 PolarHBondContact N-O 2.65Å; R260-L280 PolarHBondContact O-N 3.32Å |
| 261 | D | 89.3 | Confident | 76.9 | Confident | 32 Ų | 32 | 72.8 Ų | 72.8 | 17% | 0.171 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 124.4 | 170.1 | -69.4 | -26.8 | 0 | 0 | 0 | 109.6 | Y228 Y230 Y259 I277 | Y228-D261 PolarHBondContact O-N 2.9Å; Y230-D261 WeakPolarHBondContact CE2-OD2 3.33Å; Y259-D261 WeakPolarHBondContact CE2-OD1 3.47Å; D261-I277 HydrophobicContact CB-CG2 3.71Å |
| 262 | T | 83.8 | Confident | 75.4 | Confident | 31 Ų | 31 | 73.4 Ų | 73.4 | 19% | 0.19 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 141 | 176.8 | 58.8 | 0 | 0 | 0 | 0 | 108.9 | R260 Q278 L280 | R260-T262 PolarHBondContact O-N 3.33Å; T262-Q278 PolarHBondContact N-O 3.05Å; T262-Q278 PolarHBondContact O-N 3.39Å; T262-Q278 PolarHBondContact OG1-O 2.99Å; T262-L280 HydrophobicContact CG2-CB 3.95Å |
| 263 | W | 72.9 | Confident | 73.8 | Confident | 167 Ų | 167 | 74.5 Ų | 74.5 | 63% | 0.633 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 124.4 | 173.7 | 44.1 | 85.4 | 0 | 0 | 0 | 108.4 | D265 | W263-D265 PolarHBondContact O-N 3.44Å |
| 264 | E | 61.6 | Low | 71.9 | Confident | 87 Ų | 87 | 79 Ų | 79 | 41% | 0.407 | 45% | 0.448 | S | S | . | . | trans | -77.7 | 111.3 | 159.3 | -78 | -172.7 | 162.5 | 0 | 0 | 107.7 | T266 Q278 | E264-T266 PolarHBondContact O-N 3.4Å; E264-Q278 PolarHBondContact OE1-NE2 3.34Å; E264-Q278 PolarHBondContact OE2-NE2 2.88Å | ||
| 265 | D | 53.1 | Low | 70.2 | Confident | 155 Ų | 155 | 78.8 Ų | 78.8 | 83% | 0.829 | 46% | 0.458 | S | S | * | . | trans | -78.6 | 77.2 | 164.5 | -150.7 | 10 | 0 | 0 | 0 | 106.4 | W263 G267 | W263-D265 PolarHBondContact O-N 3.44Å; D265-G267 PolarHBondContact O-N 3.48Å | ||
| 266 | T | 52.3 | Low | 69 | Low | 84 Ų | 84 | 84.4 Ų | 84.4 | 52% | 0.515 | 49% | 0.485 | S | S | . | . | trans | -70.3 | 80.5 | 175.7 | -25.5 | 0 | 0 | 0 | 0 | 107.3 | E264 Q268 G269 | E264-T266 PolarHBondContact O-N 3.4Å; T266-Q268 PolarHBondContact O-N 2.99Å; T266-G269 PolarHBondContact O-N 3.22Å | ||
| 267 | G | 52.4 | Low | 68.2 | Low | 76 Ų | 76 | 89.2 Ų | 89.2 | 78% | 0.784 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 16.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D265 | D265-G267 PolarHBondContact O-N 3.48Š|
| 268 | Q | 50 | Low | 67.7 | Low | 190 Ų | 190 | 90.9 Ų | 90.9 | 89% | 0.888 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.1 | 19.7 | 177.2 | -73.5 | -169.9 | -19.9 | 0 | 0 | 113 | T266 | T266-Q268 PolarHBondContact O-N 2.99Š|
| 269 | G | 54.7 | Low | 67.6 | Low | 31 Ų | 31 | 95 Ų | 95 | 32% | 0.32 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -79.4 | 142.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | T266 | T266-G269 PolarHBondContact O-N 3.22Š|
| 270 | P | 55.3 | Low | 67.6 | Low | 108 Ų | 108 | 96.5 Ų | 96.5 | 70% | 0.701 | 54% | 0.544 | S | S | * | . | trans | -53.9 | 147.1 | 166.8 | 25.2 | -32 | 0 | 0 | 0 | 108.6 | N272 S273 | P270-N272 PolarHBondContact O-N 3.46Å; P270-S273 PolarHBondContact O-N 2.99Å; P270-S273 VanDerWaalsContact O-N 3.17Å | ||
| 271 | A | 56.6 | Low | 67.8 | Low | 108 Ų | 108 | 91.8 Ų | 91.8 | 89% | 0.893 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 10.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 272 | N | 53.8 | Low | 68.1 | Low | 160 Ų | 160 | 90.5 Ų | 90.5 | 86% | 0.856 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | 5.2 | -175.6 | -61 | -13.9 | 0 | 0 | 0 | 114.3 | P270 C274 | P270-N272 PolarHBondContact O-N 3.46Å; N272-C274 PolarHBondContact O-N 3.43Å |
| 273 | S | 56.7 | Low | 68.7 | Low | 72 Ų | 72 | 89 Ų | 89 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | trans | -84.1 | 113.9 | 174.5 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | P270 | P270-S273 PolarHBondContact O-N 2.99Å; P270-S273 VanDerWaalsContact O-N 3.17Å | ||
| 274 | C | 55 | Low | 69.7 | Low | 115 Ų | 115 | 81.1 Ų | 81.1 | 78% | 0.777 | 48% | 0.481 | S | S | * | . | trans | -57.9 | 135 | 169.4 | -164.1 | 0 | 0 | 0 | 0 | 109.1 | N272 Q276 | N272-C274 PolarHBondContact O-N 3.43Å; C274-Q276 PolarHBondContact O-N 2.99Å; C274-Q276 VanDerWaalsContact O-N 3.15Å | ||
| 275 | P | 58.9 | Low | 71.2 | Confident | 87 Ų | 87 | 79.6 Ų | 79.6 | 57% | 0.565 | 47% | 0.472 | S | S | * | . | trans | -56.9 | 122.1 | 179 | 21.6 | -32.2 | 0 | 0 | 0 | 110.1 | I277 | P275-I277 PolarHBondContact O-N 3.3Š| ||
| 276 | Q | 70.4 | Confident | 73 | Confident | 136 Ų | 136 | 74.3 Ų | 74.3 | 64% | 0.636 | 44% | 0.44 | S | S | * | . | trans | -76.2 | 113.6 | 178.1 | -174.5 | 169.5 | -18.3 | 0 | 0 | 108.6 | C274 Q278 | C274-Q276 PolarHBondContact O-N 2.99Å; C274-Q276 VanDerWaalsContact O-N 3.15Å; Q276-Q278 PolarHBondContact O-N 3.1Å | ||
| 277 | I | 79 | Confident | 74.7 | Confident | 115 Ų | 115 | 72.5 Ų | 72.5 | 59% | 0.59 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 117.7 | 174.3 | -59.9 | 172.7 | 0 | 0 | 0 | 107.8 | D261 P275 | D261-I277 HydrophobicContact CB-CG2 3.71Å; P275-I277 PolarHBondContact O-N 3.3Å |
| 278 | Q | 86.7 | Confident | 76.1 | Confident | 36 Ų | 36 | 73.3 Ų | 73.3 | 17% | 0.168 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 138.1 | 173.4 | -65.3 | -169 | 10.7 | 0 | 0 | 110.4 | T262 E264 Q276 F317 | T262-Q278 PolarHBondContact N-O 3.05Å; T262-Q278 PolarHBondContact O-N 3.39Å; T262-Q278 PolarHBondContact OG1-O 2.99Å; E264-Q278 PolarHBondContact OE1-NE2 3.34Å; E264-Q278 PolarHBondContact OE2-NE2 2.88Å; Q276-Q278 PolarHBondContact O-N 3.1Å; Q278-F317 HydrophobicContact CB-CD1 3.91Å; Q278-F317 HydrophobicContact CB-CE1 4.12Å |
| 279 | K | 92.6 | Very high | 77.3 | Confident | 85 Ų | 85 | 68.6 Ų | 68.6 | 37% | 0.37 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 111.5 | 179.2 | -66.6 | -176.3 | 179.6 | -176.2 | 0 | 109.5 | Y259 W281 F317 | Y259-K279 HydrophobicContact CD1-CD 4.45Å; Y259-K279 HydrophobicContact CD2-CB 4Å; Y259-K279 HydrophobicContact CD2-CD 3.78Å; Y259-K279 HydrophobicContact CD2-CG 3.72Å; Y259-K279 HydrophobicContact CE1-CD 4.44Å; Y259-K279 HydrophobicContact CE2-CD 3.82Å; Y259-K279 HydrophobicContact CE2-CG 4.03Å; Y259-K279 HydrophobicContact CG-CB 4.25Å; Y259-K279 HydrophobicContact CG-CD 4.12Å; Y259-K279 HydrophobicContact CG-CG 4.32Å; K279-W281 HydrophobicContact CD-CZ2 4.47Å; K279-F317 VanDerWaalsContact O-CA 3.29Å; K279-F317 WeakPolarHBondContact O-CA 3.46Å |
| 280 | L | 93.2 | Very high | 77.9 | Confident | 47 Ų | 47 | 68.2 Ų | 68.2 | 25% | 0.246 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 115.6 | 173.5 | -177.1 | 65.5 | 0 | 0 | 0 | 109.7 | Y259 R260 T262 T314 F317 | Y259-L280 CarbonylContact C-O 3.55Å; Y259-L280 VanDerWaalsContact CA-O 3.25Å; Y259-L280 WeakPolarHBondContact CA-O 3.47Å; R260-L280 PolarHBondContact N-O 2.65Å; R260-L280 PolarHBondContact O-N 3.32Å; T262-L280 HydrophobicContact CG2-CB 3.95Å; L280-T314 HydrophobicContact CD1-CG2 3.81Å; L280-T314 HydrophobicContact CD2-CG2 4.33Å; L280-T314 HydrophobicContact CG-CG2 4.19Å; L280-F317 HydrophobicContact CB-CD1 4.43Å; L280-F317 HydrophobicContact CB-CE1 4.2Å; L280-F317 HydrophobicContact CD1-CD1 4.25Å; L280-F317 HydrophobicContact CD1-CE1 3.98Å; L280-F317 HydrophobicContact CD1-CZ 4.15Å |
| 281 | W | 95.8 | Very high | 78.4 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 2% | 0.023 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 139.5 | -177.3 | -65.2 | 89.4 | 0 | 0 | 0 | 112.3 | K232 L257 C258 Y259 K279 I315 G316 E318 E319 | K232-W281 HydrophobicContact CB-CH2 4.17Å; K232-W281 HydrophobicContact CB-CZ3 3.65Å; K232-W281 HydrophobicContact CG-CH2 4.01Å; K232-W281 HydrophobicContact CG-CZ3 3.82Å; L257-W281 HydrophobicContact CD1-CE3 4.15Å; L257-W281 HydrophobicContact CD2-CE3 4.23Å; L257-W281 HydrophobicContact CD2-CZ3 4.13Å; L257-W281 HydrophobicContact CG-CE3 4.03Å; L257-W281 HydrophobicContact CG-CZ3 4.2Å; C258-W281 WeakPolarHBondContact O-CA 3.48Å; Y259-W281 HydrophobicContact CD1-CE3 4.42Å; Y259-W281 AromaticContact CD1-CH2 3.55Å; Y259-W281 HydrophobicContact CD1-CH2 3.55Å; Y259-W281 AromaticContact CD1-CZ2 3.94Å; Y259-W281 HydrophobicContact CD1-CZ2 3.94Å; Y259-W281 AromaticContact CD1-CZ3 3.81Å; Y259-W281 HydrophobicContact CD1-CZ3 3.81Å; Y259-W281 HydrophobicContact CE1-CH2 4.33Å; Y259-W281 HydrophobicContact CG-CH2 4.26Å; Y259-W281 HydrophobicContact CG-CZ2 4.28Å; Y259-W281 HydrophobicContact CG-CZ3 4.41Å; K279-W281 HydrophobicContact CD-CZ2 4.47Å; W281-I315 HydrophobicContact CB-CB 4.17Å; W281-I315 PolarHBondContact O-N 3.17Å; W281-G316 WeakPolarHBondContact CB-O 3.49Å; W281-G316 PolarHBondContact N-O 2.62Å; W281-E318 VanDerWaalsContact CD1-O 3.23Å; W281-E319 HydrophobicContact CH2-CB 4.12Å; W281-E319 HydrophobicContact CH2-CG 3.58Å; W281-E319 HydrophobicContact CZ2-CB 3.48Å; W281-E319 VanDerWaalsContact CZ2-CB 3.48Å; W281-E319 HydrophobicContact CZ2-CG 3.51Å; W281-E319 HydrophobicContact CZ3-CG 4.21Å |
| 282 | S | 95.3 | Very high | 78.8 | Confident | 5 Ų | 5 | 64.1 Ų | 64.1 | 4% | 0.035 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 153.4 | -179.3 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | C258 Y309 L313 | C258-S282 PolarHBondContact N-O 3.4Å; C258-S282 PolarHBondContact O-N 2.96Å; C258-S282 VanDerWaalsContact O-O 3.1Å; S282-Y309 PolarHBondContact O-OH 3.45Å; S282-Y309 PolarHBondContact OG-OH 2.83Å; S282-L313 CarbonylContact C-O 3.58Å; S282-L313 WeakPolarHBondContact CA-O 3.43Å; S282-L313 VanDerWaalsContact CB-O 3.24Å; S282-L313 WeakPolarHBondContact CB-O 3.22Å |
| 283 | I | 97 | Very high | 79.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 135.3 | 169.5 | -63.5 | 172.3 | 0 | 0 | 0 | 107.8 | F256 L257 Y309 L312 L313 I315 L328 L329 I332 | F256-I283 WeakPolarHBondContact O-CA 3.37Å; L257-I283 HydrophobicContact CD1-CG1 4.06Å; I283-Y309 VanDerWaalsContact C-OH 3.23Å; I283-L312 PolarHBondContact O-N 2.78Å; I283-L313 HydrophobicContact CB-CB 4.45Å; I283-L313 PolarHBondContact N-O 3.27Å; I283-L313 PolarHBondContact O-N 2.79Å; I283-I315 HydrophobicContact CD1-CD1 4.17Å; I283-I315 HydrophobicContact CG1-CD1 4.03Å; I283-L328 HydrophobicContact CD1-CB 3.84Å; I283-L329 HydrophobicContact CG2-CD1 4.14Å; I283-I332 HydrophobicContact CB-CD1 4.46Å; I283-I332 HydrophobicContact CG2-CD1 4.22Å |
| 284 | G | 93.9 | Very high | 80.1 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 164.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y255 F256 Y309 Q310 | Y255-G284 CarbonylContact C-O 3.56Å; Y255-G284 WeakPolarHBondContact CA-O 3.36Å; F256-G284 PolarHBondContact N-O 3.3Å; F256-G284 PolarHBondContact O-N 2.9Å; G284-Y309 VanDerWaalsContact CA-CE2 3.47Å; G284-Y309 VanDerWaalsContact CA-CZ 3.49Å; G284-Y309 WeakPolarHBondContact CA-OH 3.31Å; G284-Y309 PolarHBondContact N-OH 2.98Å; G284-Q310 CarbonylContact C-O 3.5Å; G284-Q310 WeakPolarHBondContact CA-O 3.31Å |
| 285 | R | 93.4 | Very high | 81.3 | Confident | 55 Ų | 55 | 64.9 Ų | 64.9 | 21% | 0.208 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 141.3 | 178.2 | 177.4 | -178.5 | 179.5 | 177.1 | 9.6 | 109.7 | D253 Y255 L287 Q310 L312 | D253-R285 IonicContact OD1-CZ 2.59Å; D253-R285 IonicContact OD1-NE 3.19Å; D253-R285 IonicContact OD1-NH2 3.74Å; D253-R285 PolarHBondContact OD1-NH2 3.49Å; D253-R285 IonicContact OD2-NH2 2.77Å; D253-R285 PolarHBondContact OD2-NH2 3.32Å; Y255-R285 HydrophobicContact CD1-CB 3.92Å; Y255-R285 HydrophobicContact CD1-CG 4.36Å; Y255-R285 HydrophobicContact CE1-CB 3.84Å; Y255-R285 HydrophobicContact CE1-CG 4.02Å; R285-L287 HydrophobicContact CG-CD2 4.49Å; R285-Q310 HydrophobicContact CB-CB 4.47Å; R285-Q310 PolarHBondContact N-O 3.1Å; R285-Q310 PolarHBondContact O-N 3.42Å; R285-L312 HydrophobicContact CB-CD1 4.04Å; R285-L312 HydrophobicContact CB-CG 4.43Å |
| 286 | W | 90.8 | Very high | 82.2 | Confident | 44 Ų | 44 | 66.8 Ų | 66.8 | 17% | 0.167 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 123.1 | 165.8 | 173.9 | -91.8 | 0 | 0 | 0 | 110.4 | Y220 A222 Y254 F256 P305 G307 | Y220-W286 HydrophobicContact CE1-CE3 4.09Å; Y220-W286 AromaticContact CE1-CZ3 3.91Å; Y220-W286 HydrophobicContact CE1-CZ3 3.91Å; Y220-W286 HydrophobicContact CE2-CE3 4.2Å; Y220-W286 AromaticContact CZ-CE3 3.52Å; Y220-W286 AromaticContact CZ-CZ3 3.82Å; A222-W286 HydrophobicContact CB-CH2 4.22Å; A222-W286 HydrophobicContact CB-CZ3 3.88Å; Y254-W286 PolarHBondContact O-N 3.12Å; F256-W286 HydrophobicContact CD2-CB 4.37Å; F256-W286 HydrophobicContact CE2-CB 3.84Å; W286-P305 HydrophobicContact CH2-CB 3.96Å; W286-P305 HydrophobicContact CH2-CG 3.87Å; W286-P305 HydrophobicContact CZ2-CB 3.97Å; W286-P305 HydrophobicContact CZ2-CG 4.34Å; W286-G307 VanDerWaalsContact CZ2-CA 3.46Å |
| 287 | L | 87.1 | Confident | 82.7 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 25% | 0.246 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 112.1 | 171.6 | -67.2 | -178.2 | 0 | 0 | 0 | 109.1 | R285 L289 G307 D308 Q310 | R285-L287 HydrophobicContact CG-CD2 4.49Å; L287-L289 PolarHBondContact O-N 2.88Å; L287-G307 CarbonylContact O-C 3.59Å; L287-G307 WeakPolarHBondContact O-CA 3.15Å; L287-D308 HydrophobicContact CB-CB 4.49Å; L287-D308 PolarHBondContact N-O 2.96Å; L287-D308 PolarHBondContact O-N 3.39Å; L287-Q310 HydrophobicContact CD1-CB 3.64Å; L287-Q310 HydrophobicContact CD1-CG 4.25Å; L287-Q310 HydrophobicContact CG-CB 3.84Å |
| 288 | P | 81.7 | Confident | 82.5 | Confident | 93 Ų | 93 | 62 Ų | 62 | 60% | 0.604 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 117.4 | 169.7 | 28.9 | -30.6 | 0 | 0 | 0 | 108.1 | ||
| 289 | L | 75.9 | Confident | 81.8 | Confident | 90 Ų | 90 | 66 Ų | 66 | 47% | 0.471 | 36% | 0.357 | S | S | . | . | trans | -91.3 | -21 | 177.1 | -67.2 | 179.4 | 0 | 0 | 0 | 111.7 | H224 L287 P306 D308 | H224-L289 HydrophobicContact CB-CD1 4.29Å; L287-L289 PolarHBondContact O-N 2.88Å; L289-P306 PolarHBondContact N-O 3.29Å; L289-D308 HydrophobicContact CD1-CB 3.73Å; L289-D308 HydrophobicContact CG-CB 4.19Å | ||
| 290 | G | 66.8 | Low | 81.1 | Confident | 23 Ų | 23 | 67.4 Ų | 67.4 | 24% | 0.237 | 37% | 0.367 | C | S | . | . | trans | 70.1 | 157.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P306 | G290-P306 PolarHBondContact N-O 3.29Å; G290-P306 WeakPolarHBondContact O-CB 3.22Å | ||
| 291 | P | 65.5 | Low | 80.4 | Confident | 24 Ų | 24 | 71.7 Ų | 71.7 | 16% | 0.156 | 39% | 0.39 | C | S | . | . | trans | -62.5 | 155.1 | 169.9 | 28.9 | -32.5 | 0 | 0 | 0 | 109.8 | E293 W299 | P291-E293 WeakPolarHBondContact CB-O 3.3Å; P291-E293 VanDerWaalsContact CG-O 3.23Å; P291-E293 WeakPolarHBondContact CG-O 3.49Å; P291-E293 PolarHBondContact O-N 3.09Å; P291-W299 VanDerWaalsContact CD-CH2 3.48Å; P291-W299 HydrophobicContact CG-CD2 3.77Å; P291-W299 VanDerWaalsContact CG-CE2 3.45Å; P291-W299 HydrophobicContact CG-CE3 4.44Å; P291-W299 HydrophobicContact CG-CG 4.01Å; P291-W299 HydrophobicContact CG-CZ2 3.94Å | ||
| 292 | A | 65 | Low | 79.1 | Confident | 107 Ų | 107 | 73.5 Ų | 73.5 | 88% | 0.884 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -59.6 | -30.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 293 | E | 66 | Low | 78 | Confident | 130 Ų | 130 | 79.3 Ų | 79.3 | 61% | 0.607 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -117.7 | 125.7 | 173.6 | -61.1 | -65.1 | 163 | 0 | 0 | 108.5 | P291 D295 S298 | P291-E293 WeakPolarHBondContact CB-O 3.3Å; P291-E293 VanDerWaalsContact CG-O 3.23Å; P291-E293 WeakPolarHBondContact CG-O 3.49Å; P291-E293 PolarHBondContact O-N 3.09Å; E293-D295 PolarHBondContact O-N 2.96Å; E293-S298 VanDerWaalsContact O-CB 3.22Å; E293-S298 WeakPolarHBondContact O-CB 3.32Å; E293-S298 PolarHBondContact O-OG 3.04Å |
| 294 | D | 71.6 | Confident | 76.8 | Confident | 131 Ų | 131 | 83.4 Ų | 83.4 | 70% | 0.701 | 46% | 0.459 | S | S | * | . | trans | -82.9 | 44.5 | -176 | -163.8 | 26.6 | 0 | 0 | 0 | 113 | W299 | D294-W299 PolarHBondContact OD1-NE1 2.93Š| ||
| 295 | D | 80.6 | Confident | 75.8 | Confident | 101 Ų | 101 | 86.4 Ų | 86.4 | 54% | 0.54 | 48% | 0.479 | S | S | . | . | trans | -98.5 | 144.8 | 176 | -72.4 | -22.1 | 0 | 0 | 0 | 110.4 | E293 D297 S298 W299 | E293-D295 PolarHBondContact O-N 2.96Å; D295-D297 PolarHBondContact O-N 3.47Å; D295-D297 VanDerWaalsContact O-N 3.14Å; D295-S298 VanDerWaalsContact O-CB 3.31Å; D295-S298 WeakPolarHBondContact O-CB 3.4Å; D295-S298 PolarHBondContact O-N 3.42Å; D295-W299 PolarHBondContact O-N 3.33Å | ||
| 296 | L | 78.9 | Confident | 74.9 | Confident | 128 Ų | 128 | 84.5 Ų | 84.5 | 67% | 0.67 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -53.4 | -37.9 | -179.3 | -178.4 | 67 | 0 | 0 | 0 | 112.4 | S298 W299 I300 | L296-S298 VanDerWaalsContact C-N 3.33Å; L296-S298 PolarHBondContact O-N 3.29Å; L296-W299 WeakPolarHBondContact O-CB 3.13Å; L296-W299 PolarHBondContact O-N 3.07Å; L296-I300 HydrophobicContact CD1-CD1 4.14Å; L296-I300 HydrophobicContact CD1-CG1 4.4Å; L296-I300 HydrophobicContact CD2-CD1 4.17Å; L296-I300 HydrophobicContact CG-CD1 3.72Å; L296-I300 HydrophobicContact CG-CG1 4.34Å; L296-I300 WeakPolarHBondContact O-CG1 3.44Å; L296-I300 PolarHBondContact O-N 2.89Å |
| 297 | D | 79.1 | Confident | 74.2 | Confident | 108 Ų | 108 | 82.4 Ų | 82.4 | 58% | 0.578 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.2 | -36.8 | 178.8 | -65.2 | -39.7 | 0 | 0 | 0 | 112 | D295 W299 I300 L301 | D295-D297 PolarHBondContact O-N 3.47Å; D295-D297 VanDerWaalsContact O-N 3.14Å; D297-W299 VanDerWaalsContact C-N 3.28Å; D297-W299 PolarHBondContact O-N 3.03Å; D297-I300 PolarHBondContact O-N 3.45Å; D297-L301 VanDerWaalsContact O-CB 3.23Å; D297-L301 WeakPolarHBondContact O-CB 3.34Å; D297-L301 WeakPolarHBondContact O-CG 3.46Å; D297-L301 PolarHBondContact O-N 2.92Å |
| 298 | S | 74.8 | Confident | 74.2 | Confident | 42 Ų | 42 | 82.6 Ų | 82.6 | 29% | 0.294 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.9 | -33.8 | 175.5 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | E293 D295 L296 C302 | E293-S298 VanDerWaalsContact O-CB 3.22Å; E293-S298 WeakPolarHBondContact O-CB 3.32Å; E293-S298 PolarHBondContact O-OG 3.04Å; D295-S298 VanDerWaalsContact O-CB 3.31Å; D295-S298 WeakPolarHBondContact O-CB 3.4Å; D295-S298 PolarHBondContact O-N 3.42Å; L296-S298 VanDerWaalsContact C-N 3.33Å; L296-S298 PolarHBondContact O-N 3.29Å; S298-C302 WeakPolarHBondContact O-CB 3.25Å; S298-C302 PolarHBondContact O-N 3.07Å |
| 299 | W | 72.7 | Confident | 74.5 | Confident | 120 Ų | 120 | 79 Ų | 79 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -74.4 | -42.1 | 174.9 | -74 | 102.6 | 0 | 0 | 0 | 112.5 | P291 D294 D295 L296 D297 P306 | P291-W299 VanDerWaalsContact CD-CH2 3.48Å; P291-W299 HydrophobicContact CG-CD2 3.77Å; P291-W299 VanDerWaalsContact CG-CE2 3.45Å; P291-W299 HydrophobicContact CG-CE3 4.44Å; P291-W299 HydrophobicContact CG-CG 4.01Å; P291-W299 HydrophobicContact CG-CZ2 3.94Å; D294-W299 PolarHBondContact OD1-NE1 2.93Å; D295-W299 PolarHBondContact O-N 3.33Å; L296-W299 WeakPolarHBondContact O-CB 3.13Å; L296-W299 PolarHBondContact O-N 3.07Å; D297-W299 VanDerWaalsContact C-N 3.28Å; D297-W299 PolarHBondContact O-N 3.03Å; W299-P306 HydrophobicContact CZ3-CG 4.04Å |
| 300 | I | 78.1 | Confident | 75.2 | Confident | 114 Ų | 114 | 78.7 Ų | 78.7 | 59% | 0.585 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -70.4 | -39.9 | -179.3 | -67.7 | 170 | 0 | 0 | 0 | 111.7 | L296 D297 C302 | L296-I300 HydrophobicContact CD1-CD1 4.14Å; L296-I300 HydrophobicContact CD1-CG1 4.4Å; L296-I300 HydrophobicContact CD2-CD1 4.17Å; L296-I300 HydrophobicContact CG-CD1 3.72Å; L296-I300 HydrophobicContact CG-CG1 4.34Å; L296-I300 WeakPolarHBondContact O-CG1 3.44Å; L296-I300 PolarHBondContact O-N 2.89Å; D297-I300 PolarHBondContact O-N 3.45Å; I300-C302 VanDerWaalsContact C-N 3.27Å; I300-C302 PolarHBondContact O-N 3.39Å |
| 301 | L | 77.8 | Confident | 76.4 | Confident | 138 Ų | 138 | 82.5 Ų | 82.5 | 72% | 0.723 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -1.4 | -176.1 | -62.1 | 174.2 | 0 | 0 | 0 | 113 | D297 P303 | D297-L301 VanDerWaalsContact O-CB 3.23Å; D297-L301 WeakPolarHBondContact O-CB 3.34Å; D297-L301 WeakPolarHBondContact O-CG 3.46Å; D297-L301 PolarHBondContact O-N 2.92Å; L301-P303 VanDerWaalsContact O-CD 3.23Å; L301-P303 WeakPolarHBondContact O-CD 3.32Å |
| 302 | C | 69.2 | Low | 77.8 | Confident | 43 Ų | 43 | 84.1 Ų | 84.1 | 29% | 0.291 | 46% | 0.456 | S | S | . | . | trans | -68.9 | 113.8 | -179.4 | -145.5 | 0 | 0 | 0 | 0 | 110 | S298 I300 Q304 | S298-C302 WeakPolarHBondContact O-CB 3.25Å; S298-C302 PolarHBondContact O-N 3.07Å; I300-C302 VanDerWaalsContact C-N 3.27Å; I300-C302 PolarHBondContact O-N 3.39Å; C302-Q304 PolarHBondContact O-N 2.93Å; C302-Q304 PolarHBondContact SG-O 3.38Å | ||
| 303 | P | 71.7 | Confident | 79.3 | Confident | 128 Ų | 128 | 81.8 Ų | 81.8 | 83% | 0.831 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -69.4 | -22.1 | -178 | 28.5 | -34.9 | 0 | 0 | 0 | 112.5 | L301 | L301-P303 VanDerWaalsContact O-CD 3.23Å; L301-P303 WeakPolarHBondContact O-CD 3.32Å |
| 304 | Q | 72.3 | Confident | 80.7 | Confident | 86 Ų | 86 | 79 Ų | 79 | 40% | 0.402 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -141.8 | 143.5 | 176.9 | -71.9 | -177.2 | -8 | 0 | 0 | 108.9 | C302 | C302-Q304 PolarHBondContact O-N 2.93Å; C302-Q304 PolarHBondContact SG-O 3.38Å |
| 305 | P | 72.6 | Confident | 81.8 | Confident | 63 Ų | 63 | 75.3 Ų | 75.3 | 41% | 0.409 | 40% | 0.4 | S | S | . | . | trans | -57.7 | 131.1 | 179.4 | 22.8 | -32.6 | 0 | 0 | 0 | 110.9 | T221 W286 G307 | T221-P305 WeakPolarHBondContact O-CD 3.44Å; W286-P305 HydrophobicContact CH2-CB 3.96Å; W286-P305 HydrophobicContact CH2-CG 3.87Å; W286-P305 HydrophobicContact CZ2-CB 3.97Å; W286-P305 HydrophobicContact CZ2-CG 4.34Å; P305-G307 VanDerWaalsContact C-N 3.31Å; P305-G307 PolarHBondContact O-N 3.03Å | ||
| 306 | P | 73.9 | Confident | 82.3 | Confident | 14 Ų | 14 | 71.4 Ų | 71.4 | 9% | 0.091 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -75 | 88.4 | 178.7 | 30.2 | -32.4 | 0 | 0 | 0 | 109.2 | S223 L289 G290 W299 | S223-P306 WeakPolarHBondContact OG-CA 3.26Å; L289-P306 PolarHBondContact N-O 3.29Å; G290-P306 PolarHBondContact N-O 3.29Å; G290-P306 WeakPolarHBondContact O-CB 3.22Å; W299-P306 HydrophobicContact CZ3-CG 4.04Å |
| 307 | G | 77.9 | Confident | 83 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 178.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A222 S223 W286 L287 P305 | A222-G307 VanDerWaalsContact CB-O 3.28Å; A222-G307 WeakPolarHBondContact CB-O 3.36Å; S223-G307 PolarHBondContact OG-O 3.47Å; W286-G307 VanDerWaalsContact CZ2-CA 3.46Å; L287-G307 CarbonylContact O-C 3.59Å; L287-G307 WeakPolarHBondContact O-CA 3.15Å; P305-G307 VanDerWaalsContact C-N 3.31Å; P305-G307 PolarHBondContact O-N 3.03Å |
| 308 | D | 85.6 | Confident | 83.7 | Confident | 52 Ų | 52 | 73.8 Ų | 73.8 | 28% | 0.278 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 155.1 | -176 | -169.7 | 4.8 | 0 | 0 | 0 | 110.4 | Y220 L287 L289 | Y220-D308 PolarHBondContact OH-O 3.04Å; L287-D308 HydrophobicContact CB-CB 4.49Å; L287-D308 PolarHBondContact N-O 2.96Å; L287-D308 PolarHBondContact O-N 3.39Å; L289-D308 HydrophobicContact CD1-CB 3.73Å; L289-D308 HydrophobicContact CG-CB 4.19Å |
| 309 | Y | 88.7 | Confident | 84.6 | Confident | 17 Ų | 17 | 75.9 Ų | 75.9 | 7% | 0.067 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 100.6 | 173.9 | -176.1 | -106.5 | 0 | 0 | 0 | 110.5 | Y220 L229 F256 C258 S282 I283 G284 Q311 | Y220-Y309 HydrophobicContact CD2-CD2 4.39Å; Y220-Y309 HydrophobicContact CE1-CD2 4.31Å; Y220-Y309 HydrophobicContact CE1-CG 4.35Å; Y220-Y309 AromaticContact CE2-CD2 3.74Å; Y220-Y309 HydrophobicContact CE2-CD2 3.74Å; Y220-Y309 HydrophobicContact CE2-CE2 4.48Å; Y220-Y309 AromaticContact CZ-CD2 3.66Å; Y220-Y309 WeakPolarHBondContact OH-CA 3.15Å; L229-Y309 HydrophobicContact CD2-CD1 3.69Å; L229-Y309 HydrophobicContact CD2-CD2 3.94Å; L229-Y309 HydrophobicContact CD2-CE1 4.05Å; L229-Y309 HydrophobicContact CD2-CE2 4.27Å; L229-Y309 HydrophobicContact CD2-CG 3.61Å; F256-Y309 HydrophobicContact CB-CE2 4.38Å; C258-Y309 HydrophobicContact CB-CE2 4.3Å; S282-Y309 PolarHBondContact O-OH 3.45Å; S282-Y309 PolarHBondContact OG-OH 2.83Å; I283-Y309 VanDerWaalsContact C-OH 3.23Å; G284-Y309 VanDerWaalsContact CA-CE2 3.47Å; G284-Y309 VanDerWaalsContact CA-CZ 3.49Å; G284-Y309 WeakPolarHBondContact CA-OH 3.31Å; G284-Y309 PolarHBondContact N-OH 2.98Å; Y309-Q311 HydrophobicContact CD1-CB 4.27Å; Y309-Q311 HydrophobicContact CE1-CB 3.87Å; Y309-Q311 HydrophobicContact CE1-CG 4.29Å; Y309-Q311 PolarHBondContact O-N 3.03Å |
| 310 | Q | 90.9 | Very high | 85.6 | Confident | 84 Ų | 84 | 70.6 Ų | 70.6 | 39% | 0.393 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 99.7 | 169.9 | -174.1 | 178.6 | 38.2 | 0 | 0 | 109.9 | G284 R285 L287 L312 | G284-Q310 CarbonylContact C-O 3.5Å; G284-Q310 WeakPolarHBondContact CA-O 3.31Å; R285-Q310 HydrophobicContact CB-CB 4.47Å; R285-Q310 PolarHBondContact N-O 3.1Å; R285-Q310 PolarHBondContact O-N 3.42Å; L287-Q310 HydrophobicContact CD1-CB 3.64Å; L287-Q310 HydrophobicContact CD1-CG 4.25Å; L287-Q310 HydrophobicContact CG-CB 3.84Å; Q310-L312 HydrophobicContact CG-CD2 4.19Å; Q310-L312 PolarHBondContact O-N 3.11Å |
| 311 | Q | 92.1 | Very high | 86.4 | Confident | 103 Ų | 103 | 67.5 Ų | 67.5 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 125 | 173.1 | -173.2 | 175.5 | -39.2 | 0 | 0 | 110.6 | Y309 T314 | Y309-Q311 HydrophobicContact CD1-CB 4.27Å; Y309-Q311 HydrophobicContact CE1-CB 3.87Å; Y309-Q311 HydrophobicContact CE1-CG 4.29Å; Y309-Q311 PolarHBondContact O-N 3.03Å; Q311-T314 PolarHBondContact NE2-OG1 3.41Å |
| 312 | L | 94.4 | Very high | 87 | Confident | 57 Ų | 57 | 61 Ų | 61 | 30% | 0.298 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -36.8 | -179.7 | -60.5 | 178.2 | 0 | 0 | 0 | 112.1 | Y255 I283 R285 Q310 I332 | Y255-L312 HydrophobicContact CD1-CD1 3.87Å; Y255-L312 HydrophobicContact CE1-CD1 3.72Å; I283-L312 PolarHBondContact O-N 2.78Å; R285-L312 HydrophobicContact CB-CD1 4.04Å; R285-L312 HydrophobicContact CB-CG 4.43Å; Q310-L312 HydrophobicContact CG-CD2 4.19Å; Q310-L312 PolarHBondContact O-N 3.11Å; L312-I332 HydrophobicContact CB-CD1 4.43Å; L312-I332 HydrophobicContact CD1-CG2 4.11Å |
| 313 | L | 95.6 | Very high | 88.2 | Confident | 58 Ų | 58 | 60.1 Ų | 60.1 | 30% | 0.304 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 133.5 | -177.5 | 179.1 | 67.1 | 0 | 0 | 0 | 110.9 | S282 I283 I315 L328 I332 | S282-L313 CarbonylContact C-O 3.58Å; S282-L313 WeakPolarHBondContact CA-O 3.43Å; S282-L313 VanDerWaalsContact CB-O 3.24Å; S282-L313 WeakPolarHBondContact CB-O 3.22Å; I283-L313 HydrophobicContact CB-CB 4.45Å; I283-L313 PolarHBondContact N-O 3.27Å; I283-L313 PolarHBondContact O-N 2.79Å; L313-I315 HydrophobicContact CD2-CG1 4.44Å; L313-L328 HydrophobicContact CD2-CB 4.18Å; L313-L328 HydrophobicContact CD2-CD1 4.19Å; L313-L328 HydrophobicContact CD2-CD2 4.16Å; L313-L328 HydrophobicContact CD2-CG 4.41Å; L313-I332 HydrophobicContact CB-CD1 3.81Å; L313-I332 HydrophobicContact CD2-CD1 4.08Å |
| 314 | T | 95.4 | Very high | 89.3 | Confident | 72 Ų | 72 | 58 Ų | 58 | 44% | 0.442 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 128.3 | 164.5 | -48.1 | 0 | 0 | 0 | 0 | 108.9 | L280 Q311 | L280-T314 HydrophobicContact CD1-CG2 3.81Å; L280-T314 HydrophobicContact CD2-CG2 4.33Å; L280-T314 HydrophobicContact CG-CG2 4.19Å; Q311-T314 PolarHBondContact NE2-OG1 3.41Å |
| 315 | I | 94.7 | Very high | 90.5 | Very high | 53 Ų | 53 | 54 Ų | 54 | 27% | 0.272 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -54.6 | -179 | -58.6 | 178.1 | 0 | 0 | 0 | 110.3 | L257 W281 I283 L313 P320 L328 | L257-I315 HydrophobicContact CD1-CD1 3.75Å; W281-I315 HydrophobicContact CB-CB 4.17Å; W281-I315 PolarHBondContact O-N 3.17Å; I283-I315 HydrophobicContact CD1-CD1 4.17Å; I283-I315 HydrophobicContact CG1-CD1 4.03Å; L313-I315 HydrophobicContact CD2-CG1 4.44Å; I315-P320 HydrophobicContact CD1-CB 4.28Å; I315-P320 HydrophobicContact CD1-CG 3.79Å; I315-P320 HydrophobicContact CG2-CB 4.49Å; I315-L328 HydrophobicContact CD1-CD1 3.99Å; I315-L328 HydrophobicContact CG1-CD1 4.13Å |
| 316 | G | 92.8 | Very high | 91.6 | Very high | 20 Ų | 20 | 51 Ų | 51 | 21% | 0.206 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.6 | -159.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W281 | W281-G316 WeakPolarHBondContact CB-O 3.49Å; W281-G316 PolarHBondContact N-O 2.62Å |
| 317 | F | 92.9 | Very high | 92.6 | Very high | 120 Ų | 120 | 52 Ų | 52 | 53% | 0.526 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -95.7 | -10.5 | -174.7 | -62.9 | -76.7 | 0 | 0 | 0 | 114.7 | Q278 K279 L280 | Q278-F317 HydrophobicContact CB-CD1 3.91Å; Q278-F317 HydrophobicContact CB-CE1 4.12Å; K279-F317 VanDerWaalsContact O-CA 3.29Å; K279-F317 WeakPolarHBondContact O-CA 3.46Å; L280-F317 HydrophobicContact CB-CD1 4.43Å; L280-F317 HydrophobicContact CB-CE1 4.2Å; L280-F317 HydrophobicContact CD1-CD1 4.25Å; L280-F317 HydrophobicContact CD1-CE1 3.98Å; L280-F317 HydrophobicContact CD1-CZ 4.15Å |
| 318 | E | 93.6 | Very high | 93.5 | Very high | 166 Ų | 166 | 53.5 Ų | 53.5 | 78% | 0.776 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -91.5 | 138.3 | 176.9 | -171.5 | 175.9 | -179.1 | 0 | 0 | 110.7 | W281 P320 | W281-E318 VanDerWaalsContact CD1-O 3.23Å; E318-P320 WeakPolarHBondContact O-CD 3.36Å |
| 319 | E | 93 | Very high | 94 | Very high | 86 Ų | 86 | 51 Ų | 51 | 40% | 0.402 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -66 | 118.7 | 175.1 | -179.9 | 171.2 | 167.2 | 0 | 0 | 109.8 | R213 K232 W281 | R213-E319 IonicContact NH2-OE1 3.84Å; K232-E319 WeakPolarHBondContact CE-OE1 3.44Å; W281-E319 HydrophobicContact CH2-CB 4.12Å; W281-E319 HydrophobicContact CH2-CG 3.58Å; W281-E319 HydrophobicContact CZ2-CB 3.48Å; W281-E319 VanDerWaalsContact CZ2-CB 3.48Å; W281-E319 HydrophobicContact CZ2-CG 3.51Å; W281-E319 HydrophobicContact CZ3-CG 4.21Å |
| 320 | P | 94.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 146.4 | 176.9 | 31.3 | -36.1 | 0 | 0 | 0 | 110.5 | L257 I315 E318 L324 A325 | L257-P320 HydrophobicContact CD1-CG 3.83Å; L257-P320 HydrophobicContact CD2-CG 3.88Å; L257-P320 HydrophobicContact CG-CG 4.49Å; I315-P320 HydrophobicContact CD1-CB 4.28Å; I315-P320 HydrophobicContact CD1-CG 3.79Å; I315-P320 HydrophobicContact CG2-CB 4.49Å; E318-P320 WeakPolarHBondContact O-CD 3.36Å; P320-L324 HydrophobicContact CB-CD2 4.14Å; P320-L324 HydrophobicContact CB-CG 4.4Å; P320-A325 HydrophobicContact CB-CB 4.22Å; P320-A325 HydrophobicContact CG-CB 4.12Å |
| 321 | S | 94.1 | Very high | 94.3 | Very high | 50 Ų | 50 | 54.1 Ų | 54.1 | 35% | 0.35 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 158.8 | 170 | 71.3 | 0 | 0 | 0 | 0 | 111.2 | V323 L324 A325 | S321-V323 PolarHBondContact O-N 2.73Å; S321-L324 PolarHBondContact O-N 3.25Å; S321-L324 VanDerWaalsContact OG-CB 3.32Å; S321-L324 WeakPolarHBondContact OG-CB 3.37Å; S321-L324 PolarHBondContact OG-N 3.11Å; S321-A325 VanDerWaalsContact O-CB 3.31Å; S321-A325 WeakPolarHBondContact O-CB 3.3Å; S321-A325 PolarHBondContact O-N 3.39Å |
| 322 | H | 91.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.6 | -39.5 | 175.6 | 155.1 | 98.1 | 0 | 0 | 0 | 110.9 | E138 Q164 M233 T326 | E138-H322 IonicContact OE1-CD2 2.69Å; E138-H322 IonicContact OE1-CE1 3.88Å; E138-H322 IonicContact OE1-NE2 2.81Å; E138-H322 PolarHBondContact OE1-NE2 2.67Å; E138-H322 IonicContact OE2-NE2 3.05Å; Q164-H322 VanDerWaalsContact OE1-CB 3.27Å; M233-H322 HydrophobicContact CE-CB 4.06Å; M233-H322 WeakPolarHBondContact CE-ND1 3.32Å; M233-H322 HydrophobicContact SD-CB 4.17Å; H322-T326 WeakPolarHBondContact O-CB 3.47Å; H322-T326 PolarHBondContact O-N 2.91Å; H322-T326 VanDerWaalsContact O-N 3.1Å; H322-T326 PolarHBondContact O-OG1 3.24Å |
| 323 | V | 93.9 | Very high | 94.3 | Very high | 25 Ų | 25 | 48.8 Ų | 48.8 | 15% | 0.152 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.4 | -52.6 | 176.8 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | L160 Q164 S321 A325 T326 D327 | L160-V323 HydrophobicContact CB-CG1 4.07Å; L160-V323 HydrophobicContact CB-CG2 3.84Å; L160-V323 HydrophobicContact CD1-CG1 3.87Å; L160-V323 WeakPolarHBondContact O-CG2 3.41Å; Q164-V323 HydrophobicContact CB-CG2 4.07Å; S321-V323 PolarHBondContact O-N 2.73Å; V323-A325 PolarHBondContact O-N 3.43Å; V323-T326 PolarHBondContact O-N 2.85Å; V323-D327 WeakPolarHBondContact O-CB 3.36Å; V323-D327 VanDerWaalsContact O-CG 3.26Å; V323-D327 PolarHBondContact O-N 3Å |
| 324 | L | 95.6 | Very high | 93.9 | Very high | 85 Ų | 85 | 50.8 Ų | 50.8 | 45% | 0.445 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | -178.2 | 177.5 | 61.6 | 0 | 0 | 0 | 111.5 | P320 S321 T326 D327 L328 | P320-L324 HydrophobicContact CB-CD2 4.14Å; P320-L324 HydrophobicContact CB-CG 4.4Å; S321-L324 PolarHBondContact O-N 3.25Å; S321-L324 VanDerWaalsContact OG-CB 3.32Å; S321-L324 WeakPolarHBondContact OG-CB 3.37Å; S321-L324 PolarHBondContact OG-N 3.11Å; L324-T326 VanDerWaalsContact C-N 3.32Å; L324-T326 PolarHBondContact O-N 2.97Å; L324-D327 PolarHBondContact O-N 3.33Å; L324-L328 HydrophobicContact CD1-CD1 4.32Å; L324-L328 HydrophobicContact CD1-CG 4.22Å; L324-L328 HydrophobicContact CG-CD1 4.17Å; L324-L328 HydrophobicContact CG-CG 4.5Å; L324-L328 WeakPolarHBondContact O-CB 3.5Å; L324-L328 VanDerWaalsContact O-CG 3.3Å; L324-L328 WeakPolarHBondContact O-CG 3.45Å; L324-L328 PolarHBondContact O-N 2.76Å |
| 325 | A | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M233 W235 L257 P320 S321 V323 L329 | M233-A325 HydrophobicContact SD-CB 4.36Å; W235-A325 HydrophobicContact CH2-CB 3.93Å; W235-A325 HydrophobicContact CZ2-CB 3.99Å; L257-A325 HydrophobicContact CD1-CB 4.47Å; L257-A325 HydrophobicContact CD2-CB 3.99Å; P320-A325 HydrophobicContact CB-CB 4.22Å; P320-A325 HydrophobicContact CG-CB 4.12Å; S321-A325 VanDerWaalsContact O-CB 3.31Å; S321-A325 WeakPolarHBondContact O-CB 3.3Å; S321-A325 PolarHBondContact O-N 3.39Å; V323-A325 PolarHBondContact O-N 3.43Å; A325-L329 PolarHBondContact O-N 3.37Å; A325-L329 VanDerWaalsContact O-N 3.09Å |
| 326 | T | 96.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.8 | -40.9 | 177.3 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | F201 I211 W235 H322 V323 L324 L328 L329 V330 | F201-T326 HydrophobicContact CE1-CG2 3.8Å; F201-T326 HydrophobicContact CZ-CG2 3.89Å; I211-T326 HydrophobicContact CD1-CG2 4.12Å; W235-T326 PolarHBondContact NE1-OG1 3.47Å; W235-T326 VanDerWaalsContact NE1-OG1 3.17Å; H322-T326 WeakPolarHBondContact O-CB 3.47Å; H322-T326 PolarHBondContact O-N 2.91Å; H322-T326 VanDerWaalsContact O-N 3.1Å; H322-T326 PolarHBondContact O-OG1 3.24Å; V323-T326 PolarHBondContact O-N 2.85Å; L324-T326 VanDerWaalsContact C-N 3.32Å; L324-T326 PolarHBondContact O-N 2.97Å; T326-L328 VanDerWaalsContact C-N 3.33Å; T326-L328 PolarHBondContact O-N 2.85Å; T326-L329 PolarHBondContact O-N 3.12Å; T326-V330 WeakPolarHBondContact O-CG2 3.41Å; T326-V330 PolarHBondContact O-N 2.86Å |
| 327 | D | 94.6 | Very high | 89.4 | Confident | 35 Ų | 35 | 58.7 Ų | 58.7 | 19% | 0.187 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 178 | -72.7 | 5.4 | 0 | 0 | 0 | 111.1 | R142 R156 V323 L324 V330 Q331 | R142-D327 IonicContact CZ-OD1 3.23Å; R142-D327 IonicContact NE-OD1 2.97Å; R142-D327 PolarHBondContact NE-OD1 3.34Å; R142-D327 IonicContact NH2-OD1 3.11Å; R142-D327 PolarHBondContact NH2-OD1 3.24Å; R156-D327 IonicContact CZ-OD2 2.73Å; R156-D327 IonicContact NH1-OD1 4Å; R156-D327 IonicContact NH1-OD2 2.67Å; R156-D327 PolarHBondContact NH1-OD2 2.98Å; R156-D327 IonicContact NH2-OD2 2.62Å; V323-D327 WeakPolarHBondContact O-CB 3.36Å; V323-D327 VanDerWaalsContact O-CG 3.26Å; V323-D327 PolarHBondContact O-N 3Å; L324-D327 PolarHBondContact O-N 3.33Å; D327-V330 PolarHBondContact O-N 3.5Å; D327-Q331 WeakPolarHBondContact O-CG 3.46Å; D327-Q331 PolarHBondContact O-N 3.32Å |
| 328 | L | 96.2 | Very high | 86.6 | Confident | 32 Ų | 32 | 55 Ų | 55 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 172.2 | -71.5 | 172.7 | 0 | 0 | 0 | 112.1 | I283 L313 I315 L324 T326 Q331 I332 | I283-L328 HydrophobicContact CD1-CB 3.84Å; L313-L328 HydrophobicContact CD2-CB 4.18Å; L313-L328 HydrophobicContact CD2-CD1 4.19Å; L313-L328 HydrophobicContact CD2-CD2 4.16Å; L313-L328 HydrophobicContact CD2-CG 4.41Å; I315-L328 HydrophobicContact CD1-CD1 3.99Å; I315-L328 HydrophobicContact CG1-CD1 4.13Å; L324-L328 HydrophobicContact CD1-CD1 4.32Å; L324-L328 HydrophobicContact CD1-CG 4.22Å; L324-L328 HydrophobicContact CG-CD1 4.17Å; L324-L328 HydrophobicContact CG-CG 4.5Å; L324-L328 WeakPolarHBondContact O-CB 3.5Å; L324-L328 VanDerWaalsContact O-CG 3.3Å; L324-L328 WeakPolarHBondContact O-CG 3.45Å; L324-L328 PolarHBondContact O-N 2.76Å; T326-L328 VanDerWaalsContact C-N 3.33Å; T326-L328 PolarHBondContact O-N 2.85Å; L328-Q331 PolarHBondContact O-N 3.4Å; L328-I332 WeakPolarHBondContact O-CG1 3.43Å; L328-I332 PolarHBondContact O-N 2.95Å |
| 329 | L | 96.3 | Very high | 83.8 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 175.1 | 176.6 | 67.6 | 0 | 0 | 0 | 111.2 | W235 Y255 I283 A325 T326 Q331 I332 L333 | W235-L329 HydrophobicContact CB-CD2 3.45Å; W235-L329 VanDerWaalsContact CB-CD2 3.45Å; W235-L329 HydrophobicContact CD2-CD2 3.39Å; W235-L329 HydrophobicContact CE3-CD2 3.79Å; W235-L329 HydrophobicContact CG-CD2 3.22Å; Y255-L329 HydrophobicContact CD1-CD1 3.76Å; Y255-L329 HydrophobicContact CE1-CD1 4.42Å; Y255-L329 HydrophobicContact CG-CD1 3.86Å; I283-L329 HydrophobicContact CG2-CD1 4.14Å; A325-L329 PolarHBondContact O-N 3.37Å; A325-L329 VanDerWaalsContact O-N 3.09Å; T326-L329 PolarHBondContact O-N 3.12Å; L329-Q331 VanDerWaalsContact C-N 3.28Å; L329-Q331 PolarHBondContact O-N 2.77Å; L329-I332 WeakPolarHBondContact O-CB 3.28Å; L329-I332 PolarHBondContact O-N 3.49Å; L329-I332 VanDerWaalsContact O-N 3.1Å; L329-L333 HydrophobicContact CD1-CD1 4.26Å; L329-L333 HydrophobicContact CD1-CG 4.15Å; L329-L333 HydrophobicContact CD2-CD1 4.36Å; L329-L333 HydrophobicContact CG-CD1 3.95Å; L329-L333 HydrophobicContact CG-CG 4.23Å; L329-L333 WeakPolarHBondContact O-CG 3.29Å; L329-L333 PolarHBondContact O-N 3.32Å |
| 330 | V | 93.4 | Very high | 80.9 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 20% | 0.2 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59 | -41.6 | 178.5 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | F201 I203 T326 D327 I332 L333 M334 | F201-V330 HydrophobicContact CE2-CG2 3.63Å; F201-V330 HydrophobicContact CZ-CG2 3.51Å; I203-V330 HydrophobicContact CD1-CG1 4.43Å; I203-V330 HydrophobicContact CD1-CG2 4.02Å; T326-V330 WeakPolarHBondContact O-CG2 3.41Å; T326-V330 PolarHBondContact O-N 2.86Å; D327-V330 PolarHBondContact O-N 3.5Å; V330-I332 PolarHBondContact O-N 3.16Å; V330-L333 PolarHBondContact O-N 3.04Å; V330-M334 HydrophobicContact CG1-CG 4.09Å; V330-M334 WeakPolarHBondContact O-CB 2.98Å; V330-M334 VanDerWaalsContact O-CG 3.22Å; V330-M334 WeakPolarHBondContact O-CG 3.49Å; V330-M334 PolarHBondContact O-N 3.13Å |
| 331 | Q | 92.8 | Very high | 78.1 | Confident | 132 Ų | 132 | 64.7 Ų | 64.7 | 62% | 0.617 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.6 | -42.8 | 174.8 | -72.1 | 174.5 | 11.7 | 0 | 0 | 112.4 | D327 L328 L329 G335 | D327-Q331 WeakPolarHBondContact O-CG 3.46Å; D327-Q331 PolarHBondContact O-N 3.32Å; L328-Q331 PolarHBondContact O-N 3.4Å; L329-Q331 VanDerWaalsContact C-N 3.28Å; L329-Q331 PolarHBondContact O-N 2.77Å; Q331-G335 PolarHBondContact O-N 3.09Å |
| 332 | I | 93.4 | Very high | 75.2 | Confident | 32 Ų | 32 | 67.3 Ų | 67.3 | 16% | 0.164 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 175.5 | -65.1 | 163.5 | 0 | 0 | 0 | 109.9 | I283 L312 L313 L328 L329 V330 M334 G335 Q336 | I283-I332 HydrophobicContact CB-CD1 4.46Å; I283-I332 HydrophobicContact CG2-CD1 4.22Å; L312-I332 HydrophobicContact CB-CD1 4.43Å; L312-I332 HydrophobicContact CD1-CG2 4.11Å; L313-I332 HydrophobicContact CB-CD1 3.81Å; L313-I332 HydrophobicContact CD2-CD1 4.08Å; L328-I332 WeakPolarHBondContact O-CG1 3.43Å; L328-I332 PolarHBondContact O-N 2.95Å; L329-I332 WeakPolarHBondContact O-CB 3.28Å; L329-I332 PolarHBondContact O-N 3.49Å; L329-I332 VanDerWaalsContact O-N 3.1Å; V330-I332 PolarHBondContact O-N 3.16Å; I332-M334 PolarHBondContact O-N 3.06Å; I332-G335 PolarHBondContact O-N 3.15Å; I332-Q336 HydrophobicContact CG2-CG 4.5Å; I332-Q336 WeakPolarHBondContact O-CG 3.41Å; I332-Q336 PolarHBondContact O-N 3.33Å; I332-Q336 VanDerWaalsContact O-N 3.11Å |
| 333 | L | 92.1 | Very high | 72.8 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 8% | 0.084 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.4 | -44.4 | -178.3 | -67.1 | 176.8 | 0 | 0 | 0 | 111.8 | I203 V209 L237 Y255 L329 V330 G335 Q336 V337 | I203-L333 HydrophobicContact CD1-CB 4.38Å; I203-L333 HydrophobicContact CD1-CD1 3.62Å; V209-L333 HydrophobicContact CG2-CD1 4.14Å; L237-L333 HydrophobicContact CD1-CD1 4.32Å; L237-L333 HydrophobicContact CD2-CD2 3.96Å; Y255-L333 HydrophobicContact CE1-CD2 4.07Å; Y255-L333 HydrophobicContact CE2-CD2 4.08Å; L329-L333 HydrophobicContact CD1-CD1 4.26Å; L329-L333 HydrophobicContact CD1-CG 4.15Å; L329-L333 HydrophobicContact CD2-CD1 4.36Å; L329-L333 HydrophobicContact CG-CD1 3.95Å; L329-L333 HydrophobicContact CG-CG 4.23Å; L329-L333 WeakPolarHBondContact O-CG 3.29Å; L329-L333 PolarHBondContact O-N 3.32Å; V330-L333 PolarHBondContact O-N 3.04Å; L333-G335 VanDerWaalsContact C-N 3.34Å; L333-G335 PolarHBondContact O-N 2.97Å; L333-Q336 PolarHBondContact O-N 3.23Å; L333-V337 VanDerWaalsContact O-CG2 3.32Å; L333-V337 WeakPolarHBondContact O-CG2 3.43Å; L333-V337 PolarHBondContact O-N 3.41Å |
| 334 | M | 87.6 | Confident | 70.2 | Confident | 100 Ų | 100 | 77.6 Ų | 77.6 | 49% | 0.493 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.7 | -33.6 | 177.8 | -68.1 | -61.2 | -74.5 | 0 | 0 | 112.7 | I203 V330 I332 Q336 V337 | I203-M334 HydrophobicContact CG2-CG 4.02Å; I203-M334 HydrophobicContact CG2-SD 3.18Å; I203-M334 WeakPolarHBondContact CG2-SD 3.46Å; V330-M334 HydrophobicContact CG1-CG 4.09Å; V330-M334 WeakPolarHBondContact O-CB 2.98Å; V330-M334 VanDerWaalsContact O-CG 3.22Å; V330-M334 WeakPolarHBondContact O-CG 3.49Å; V330-M334 PolarHBondContact O-N 3.13Å; I332-M334 PolarHBondContact O-N 3.06Å; M334-Q336 VanDerWaalsContact C-N 3.3Å; M334-Q336 PolarHBondContact O-N 2.9Å; M334-V337 PolarHBondContact O-N 3.05Å |
| 335 | G | 80 | Confident | 67.3 | Low | 62 Ų | 62 | 80.2 Ų | 80.2 | 64% | 0.639 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.9 | -25.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q331 I332 L333 | Q331-G335 PolarHBondContact O-N 3.09Å; I332-G335 PolarHBondContact O-N 3.15Å; L333-G335 VanDerWaalsContact C-N 3.34Å; L333-G335 PolarHBondContact O-N 2.97Å |
| 336 | Q | 61.5 | Low | 64.4 | Low | 141 Ų | 141 | 84.6 Ų | 84.6 | 66% | 0.659 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -82.6 | -13.6 | 176.6 | -63.8 | -77.8 | 3.5 | 0 | 0 | 113.2 | I332 L333 M334 G338 | I332-Q336 HydrophobicContact CG2-CG 4.5Å; I332-Q336 WeakPolarHBondContact O-CG 3.41Å; I332-Q336 PolarHBondContact O-N 3.33Å; I332-Q336 VanDerWaalsContact O-N 3.11Å; L333-Q336 PolarHBondContact O-N 3.23Å; M334-Q336 VanDerWaalsContact C-N 3.3Å; M334-Q336 PolarHBondContact O-N 2.9Å; Q336-G338 VanDerWaalsContact C-N 3.27Å; Q336-G338 PolarHBondContact O-N 3.09Å |
| 337 | V | 48.4 | Very low | 61.5 | Low | 109 Ų | 109 | 87.7 Ų | 87.7 | 66% | 0.661 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 6.7 | -179.2 | 175.5 | 0 | 0 | 0 | 0 | 112.6 | L333 M334 | L333-V337 VanDerWaalsContact O-CG2 3.32Å; L333-V337 WeakPolarHBondContact O-CG2 3.43Å; L333-V337 PolarHBondContact O-N 3.41Å; M334-V337 PolarHBondContact O-N 3.05Å |
| 338 | G | 33.1 | Very low | 58.7 | Low | 43 Ų | 43 | 92.3 Ų | 92.3 | 44% | 0.443 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -70.3 | 156.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q336 A340 | Q336-G338 VanDerWaalsContact C-N 3.27Å; Q336-G338 PolarHBondContact O-N 3.09Å; G338-A340 PolarHBondContact O-N 2.91Å |
| 339 | P | 34 | Very low | 55.8 | Low | 134 Ų | 134 | 98.1 Ų | 98.1 | 87% | 0.87 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -59 | 132.3 | -161.1 | 26.6 | -33.6 | 0 | 0 | 0 | 111.7 | R341 | P339-R341 PolarHBondContact O-N 2.81Š|
| 340 | A | 32.9 | Very low | 52.8 | Low | 94 Ų | 94 | 102.5 Ų | 102.5 | 78% | 0.777 | 64% | 0.644 | S | S | * | * | trans | -35.8 | 127.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G338 | G338-A340 PolarHBondContact O-N 2.91Š| ||
| 341 | R | 35.6 | Very low | 50 | Low | 234 Ų | 234 | 113 Ų | 113 | 88% | 0.883 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -52 | 130.5 | 160 | -171.9 | 175.7 | -171.3 | 153.1 | 1 | 108 | P339 | P339-R341 PolarHBondContact O-N 2.81Š|
| 342 | P | 33.8 | Very low | 47.4 | Very low | 105 Ų | 105 | 111.1 Ų | 111.1 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 152.1 | -177.1 | 26.6 | -33 | 0 | 0 | 0 | 110.2 | S344 | P342-S344 PolarHBondContact O-N 2.87Š|
| 343 | P | 40.3 | Very low | 44.5 | Very low | 118 Ų | 118 | 114.2 Ų | 114.2 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 133.7 | 177.8 | 24.8 | -32.6 | 0 | 0 | 0 | 109.2 | T345 | P343-T345 PolarHBondContact O-N 2.79Š|
| 344 | S | 39.7 | Very low | 42.2 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | trans | -44.6 | 113 | 167.3 | -69.6 | 0 | 0 | 0 | 0 | 108.9 | P342 A346 | P342-S344 PolarHBondContact O-N 2.87Å; S344-A346 PolarHBondContact O-N 3.14Å; S344-A346 VanDerWaalsContact O-N 3.14Å | ||
| 345 | T | 35.4 | Very low | 39.7 | Very low | 140 Ų | 140 | 119.3 Ų | 119.3 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | -58.3 | 119.1 | 170.4 | 10.3 | 0 | 0 | 0 | 0 | 107.7 | P343 G347 | P343-T345 PolarHBondContact O-N 2.79Å; T345-G347 PolarHBondContact O-N 2.75Å | ||
| 346 | A | 35.8 | Very low | 37.7 | Very low | 91 Ų | 91 | 125.9 Ų | 125.9 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | -40.3 | 128.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | S344 | S344-A346 PolarHBondContact O-N 3.14Å; S344-A346 VanDerWaalsContact O-N 3.14Å | ||
| 347 | G | 34.9 | Very low | 36.6 | Very low | 66 Ų | 66 | 125.1 Ų | 125.1 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 133.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | T345 | T345-G347 PolarHBondContact O-N 2.75Š|
| 348 | P | 36.1 | Very low | 35.9 | Very low | 131 Ų | 131 | 125.9 Ų | 125.9 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 134.5 | 172.7 | 11.9 | -1.9 | 0 | 0 | 0 | 110.5 | ||
| 349 | L | 33.9 | Very low | 36.1 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 81% | 0.812 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 143.3 | 169.3 | -81.5 | 105.2 | 0 | 0 | 0 | 113.8 | ||
| 350 | A | 34.6 | Very low | 36.2 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 76% | 0.76 | 84% | 0.837 | S | S | * | * | trans | 15.3 | 116.1 | 137.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 351 | W | 34.8 | Very low | 36.4 | Very low | 255 Ų | 255 | 132.6 Ų | 132.6 | 97% | 0.966 | 84% | 0.841 | S | S | * | * | trans | -109.8 | 116.4 | 154.6 | -90.9 | 55.5 | 0 | 0 | 0 | 109.4 | ||||
| 352 | A | 37.7 | Very low | 36.5 | Very low | 91 Ų | 91 | 125.9 Ų | 125.9 | 75% | 0.752 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 138.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 353 | A | 33.2 | Very low | 36.7 | Very low | 97 Ų | 97 | 127.4 Ų | 127.4 | 80% | 0.802 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 136.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 354 | P | 43.8 | Very low | 36.4 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 81% | 0.812 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 147.6 | 165.5 | 33.8 | -28.5 | 0 | 0 | 0 | 110.8 | ||
| 355 | A | 34.3 | Very low | 36.1 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 81% | 0.81 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 148.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 356 | S | 38.8 | Very low | 36.2 | Very low | 200 Ų | 200 | 127.4 Ų | 127.4 | 100% | 1.399 | 85% | 0.854 | S | S | * | * | trans | -152.8 | 0 | 141.6 | -72.3 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 356 of 356 residues in 80.7 ms
(Link to these results)