| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 31.5 | Very low | 32.4 | Very low | 220 Ų | 220 | 148.5 Ų | 148.5 | 100% | 1.084 | 79% | 0.786 | S | S | * | * | 0 | 80.6 | 0 | -62.3 | -102 | 123.6 | 0 | 0 | 104.1 | |||||
| 2 | L | 28.3 | Very low | 32.2 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | 68.1 | 121.4 | 98.6 | -70.8 | 167.2 | 0 | 0 | 0 | 108 | |||||
| 3 | S | 30.6 | Very low | 31.7 | Very low | 84 Ų | 84 | 146.4 Ų | 146.4 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | cis | 167.8 | 168.5 | 31 | -90.4 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 4 | D | 33.8 | Very low | 31.3 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 65% | 0.652 | 77% | 0.769 | S | S | * | * | cis | -171 | 151.9 | -14.1 | -95 | -35.7 | 0 | 0 | 0 | 105.8 | ||||
| 5 | E | 36.3 | Very low | 31.1 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | 39.9 | 135.7 | 136.9 | -58.6 | -176.2 | 100.7 | 0 | 0 | 122.8 | ||||
| 6 | L | 30.4 | Very low | 30.7 | Very low | 165 Ų | 165 | 147.4 Ų | 147.4 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | -173 | 127.1 | 96.7 | -94.5 | 160.4 | 0 | 0 | 0 | 113 | |||||
| 7 | D | 30.1 | Very low | 30.3 | Very low | 147 Ų | 147 | 145 Ų | 145 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | trans | -89.9 | 161.7 | 167.1 | -153.4 | -15.7 | 0 | 0 | 0 | 108.8 | ||||
| 8 | S | 27.5 | Very low | 30.1 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 151.3 | 134.3 | 144.4 | -67.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 9 | K | 26.8 | Very low | 29.9 | Very low | 195 Ų | 195 | 145.8 Ų | 145.8 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | trans | -88 | -151.5 | -179.7 | -63.2 | 170.5 | 169.3 | 171.2 | 0 | 112.9 | ||||
| 10 | P | 53.3 | Low | 29.6 | Very low | 109 Ų | 109 | 142.8 Ų | 142.8 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | -128.5 | -168.4 | -85.8 | 38.9 | -18.8 | 0 | 0 | 0 | 114.2 | |||||
| 11 | E | 28.1 | Very low | 29.4 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | 113.7 | 135.1 | 137.2 | -124.6 | -173.4 | -134 | 0 | 0 | 122.6 | ||||
| 12 | L | 29.6 | Very low | 29 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | trans | 117.5 | 120.6 | 139.9 | -63.8 | -176.7 | 0 | 0 | 0 | 124.9 | ||||
| 13 | L | 25.5 | Very low | 29.4 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | trans | 46.6 | 123.7 | 131.2 | -71.2 | 164.1 | 0 | 0 | 0 | 121.6 | ||||
| 14 | V | 26 | Very low | 29.2 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | 90.5 | 142.7 | 64.3 | 163.2 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 15 | Q | 28.8 | Very low | 28.8 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | 94.2 | 143 | 164.1 | -86.8 | 176.1 | 28.9 | 0 | 0 | 118.3 | ||||
| 16 | F | 24 | Very low | 28.4 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | cis | -172.8 | 135.6 | -9.2 | -138.8 | -124.8 | 0 | 0 | 0 | 108.6 | ||||
| 17 | V | 24.8 | Very low | 28.2 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 65% | 0.648 | 76% | 0.764 | S | S | * | * | trans | 45.5 | 129.7 | 132.5 | -169.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 18 | Q | 27.1 | Very low | 28 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | 175.1 | 133.5 | 122.8 | -98 | 167.5 | -5.6 | 0 | 0 | 115.7 | |||||
| 19 | N | 25.3 | Very low | 28 | Very low | 143 Ų | 143 | 137 Ų | 137 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | 70.5 | 149.1 | 138.6 | -60.8 | -12.2 | 0 | 0 | 0 | 119.4 | ||||
| 20 | A | 24.3 | Very low | 28 | Very low | 85 Ų | 85 | 134.8 Ų | 134.8 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | cis | -173.8 | 168.5 | -10.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 21 | S | 25.3 | Very low | 26.8 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | 98.9 | 102.1 | 149.9 | -53.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 22 | I | 24.1 | Very low | 26.7 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | trans | -49.3 | 151.9 | 147.9 | -60 | 162.7 | 0 | 0 | 0 | 109.6 | ||||
| 23 | P | 36.7 | Very low | 27.2 | Very low | 107 Ų | 107 | 134 Ų | 134 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | -157.8 | 159.2 | 60.4 | 38.5 | -13.7 | 0 | 0 | 0 | 123.3 | |||||
| 24 | L | 25.6 | Very low | 27.4 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | trans | 68.1 | 137.8 | 133.3 | -70.8 | 166.6 | 0 | 0 | 0 | 123.9 | ||||
| 25 | G | 26 | Very low | 27.4 | Very low | 65 Ų | 65 | 139.1 Ų | 139.1 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | trans | 155 | 81.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 26 | Q | 27.1 | Very low | 27.2 | Very low | 198 Ų | 198 | 139.3 Ų | 139.3 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | 65.9 | 109 | 112.4 | -67.5 | -173.2 | -22.6 | 0 | 0 | 116.4 | |||||
| 27 | G | 25.6 | Very low | 27.1 | Very low | 71 Ų | 71 | 136.3 Ų | 136.3 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | 120.9 | 149 | 93.5 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 28 | L | 26.5 | Very low | 27.2 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | cis | -164.7 | 145.4 | 20.1 | -119.6 | 82.7 | 0 | 0 | 0 | 107.7 | ||||
| 29 | E | 27.8 | Very low | 28 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 70% | 0.696 | 78% | 0.776 | S | S | * | * | trans | 64 | 109.4 | 134.8 | -61.7 | 179.3 | 169.3 | 0 | 0 | 120.2 | ||||
| 30 | D | 26.1 | Very low | 27.8 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | 93.9 | 134.7 | 91.2 | -74.2 | -25.6 | 0 | 0 | 0 | 110.3 | |||||
| 31 | S | 27.8 | Very low | 27.9 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | cis | -168.4 | 138 | 30.8 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 32 | E | 27.7 | Very low | 28.1 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | -66.6 | 173.9 | 157 | -87.3 | -163 | 142.4 | 0 | 0 | 111.4 | ||||
| 33 | P | 40.1 | Very low | 28.8 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | cis | -160.5 | 174.3 | 38.2 | 44.1 | -20.3 | 0 | 0 | 0 | 121.9 | ||||
| 34 | K | 28.2 | Very low | 28.5 | Very low | 189 Ų | 189 | 135.3 Ų | 135.3 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 89.2 | 122.9 | 135.9 | -82.9 | 156.9 | -165.1 | 179.8 | 0 | 123.5 | ||||
| 35 | H | 26.5 | Very low | 28.6 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | -42.6 | 159.3 | 163.1 | -60.5 | -95.9 | 0 | 0 | 0 | 119 | ||||
| 36 | I | 24.8 | Very low | 28.8 | Very low | 170 Ų | 170 | 137 Ų | 137 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | 169.3 | 153.1 | 112.7 | -80.6 | 156.2 | 0 | 0 | 0 | 112 | |||||
| 37 | C | 22 | Very low | 28.8 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | -71 | 162 | -169.7 | -57.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 38 | L | 26.7 | Very low | 29 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -6.5 | 172.3 | 155 | -77 | 102.3 | 0 | 0 | 0 | 121.4 | ||||
| 39 | P | 43.1 | Very low | 28.9 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | cis | -137 | -177.1 | -13.1 | 29.7 | -6.3 | 0 | 0 | 0 | 115 | ||||
| 40 | L | 22.8 | Very low | 29 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | 135.4 | 142.4 | 140 | -81.4 | 158.7 | 0 | 0 | 0 | 118.8 | ||||
| 41 | L | 26.1 | Very low | 29.3 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | 81.9 | 130.5 | 143.2 | -82.4 | 146.3 | 0 | 0 | 0 | 122.6 | ||||
| 42 | A | 28.8 | Very low | 29.3 | Very low | 87 Ų | 87 | 136.1 Ų | 136.1 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | trans | -75.2 | 168.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 43 | P | 39.3 | Very low | 29.2 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | -143.7 | 152.4 | 101 | 22.4 | 0.8 | 0 | 0 | 0 | 114.3 | |||||
| 44 | A | 29.1 | Very low | 28.6 | Very low | 87 Ų | 87 | 133.9 Ų | 133.9 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | 55.4 | 142.1 | 90.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 45 | D | 28.8 | Very low | 28.5 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | cis | -174.8 | 179.4 | 4.5 | -121.7 | -31.6 | 0 | 0 | 0 | 109.6 | ||||
| 46 | S | 30.5 | Very low | 28.5 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 111.4 | 132.6 | 161 | 75.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 47 | S | 27.2 | Very low | 28.6 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | cis | -176.2 | 112.7 | 2.5 | 154.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 48 | L | 28.7 | Very low | 28.8 | Very low | 158 Ų | 158 | 125 Ų | 125 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | 37.2 | 128.3 | 99.6 | -81.5 | 172.2 | 0 | 0 | 0 | 120.7 | |||||
| 49 | C | 25.3 | Very low | 28.9 | Very low | 117 Ų | 117 | 126 Ų | 126 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | -179 | 110.7 | 126.3 | -106.7 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 50 | T | 29.5 | Very low | 28.1 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 63% | 0.632 | 78% | 0.775 | S | S | * | * | 59.1 | 140.3 | 95.7 | 28.4 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 51 | Q | 31.8 | Very low | 28.3 | Very low | 156 Ų | 156 | 127.6 Ų | 127.6 | 73% | 0.729 | 78% | 0.782 | S | S | * | * | cis | -177.8 | 159.2 | 18.9 | -129.8 | 169.8 | -2.5 | 0 | 0 | 111.5 | ||||
| 52 | L | 28.5 | Very low | 28.4 | Very low | 159 Ų | 159 | 125.4 Ų | 125.4 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 61 | 144.7 | 151.6 | -49.3 | 173.2 | 0 | 0 | 0 | 118.9 | ||||
| 53 | G | 25.3 | Very low | 28.2 | Very low | 62 Ų | 62 | 126.6 Ų | 126.6 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | cis | 141.1 | 146.8 | 14.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 54 | L | 27.4 | Very low | 27.6 | Very low | 168 Ų | 168 | 125.7 Ų | 125.7 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | trans | 78.8 | 143.5 | 170.3 | -50.8 | 178 | 0 | 0 | 0 | 115.6 | ||||
| 55 | T | 26.8 | Very low | 27.5 | Very low | 110 Ų | 110 | 133 Ų | 133 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | cis | -172.6 | 153.7 | 8.1 | 20.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 56 | E | 27.2 | Very low | 27.4 | Very low | 194 Ų | 194 | 130.8 Ų | 130.8 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | 63.2 | 140.3 | 142.2 | -66.9 | -176.2 | 172.1 | 0 | 0 | 123.7 | ||||
| 57 | G | 26.4 | Very low | 27.8 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | 141.3 | 79.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 58 | G | 25.6 | Very low | 27.7 | Very low | 73 Ų | 73 | 130.9 Ų | 130.9 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -77.2 | 175.1 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 59 | L | 28.6 | Very low | 27.7 | Very low | 181 Ų | 181 | 134 Ų | 134 | 95% | 0.948 | 78% | 0.784 | S | S | * | * | -167.4 | 140.2 | 127.7 | -99 | 169.1 | 0 | 0 | 0 | 110.7 | |||||
| 60 | S | 26.1 | Very low | 27.8 | Very low | 86 Ų | 86 | 132.7 Ų | 132.7 | 60% | 0.601 | 78% | 0.777 | S | S | * | * | trans | -77.7 | 154.4 | -171.6 | 46.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 61 | H | 27.8 | Very low | 27.8 | Very low | 198 Ų | 198 | 134.8 Ų | 134.8 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | -146 | 141.5 | 129.5 | -123.3 | -85.5 | 0 | 0 | 0 | 111.8 | |||||
| 62 | V | 27.6 | Very low | 27.6 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | trans | -112.8 | 152.5 | -163.9 | 166.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 63 | S | 25.3 | Very low | 27.5 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | 68.5 | 144.7 | 157.2 | -87.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 64 | A | 25.4 | Very low | 27.5 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | cis | -150.4 | 161.1 | 39.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 65 | R | 26.9 | Very low | 28.5 | Very low | 240 Ų | 240 | 131.4 Ų | 131.4 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | -68.8 | 157.7 | 174.5 | -78.9 | 170.2 | 162.2 | -165.9 | -5.1 | 114.3 | ||||
| 66 | S | 28.5 | Very low | 28.4 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -45 | 172.7 | 161.4 | -20.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 67 | P | 37.9 | Very low | 28.6 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | -155.3 | -172.3 | 66.2 | 40.2 | -15.8 | 0 | 0 | 0 | 118.4 | |||||
| 68 | S | 25.9 | Very low | 28.7 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -82.3 | 174.3 | -163.1 | 52 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 69 | R | 28.7 | Very low | 29.3 | Very low | 223 Ų | 223 | 141.1 Ų | 141.1 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | 80.3 | 149 | 145.4 | -97.9 | 179.8 | 167.2 | -155.3 | -6.5 | 117.4 | ||||
| 70 | S | 26 | Very low | 29.3 | Very low | 90 Ų | 90 | 140.8 Ų | 140.8 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | cis | -172.6 | 138.1 | 15.6 | 42 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 71 | E | 29.4 | Very low | 29.4 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 69% | 0.687 | 81% | 0.805 | S | S | * | * | 83.6 | 151.9 | 104.1 | -67.4 | -164.9 | 117.1 | 0 | 0 | 119.8 | |||||
| 72 | F | 29.1 | Very low | 29.5 | Very low | 201 Ų | 201 | 139.3 Ų | 139.3 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | 84.2 | 133.7 | 166.2 | -65.4 | -85.8 | 0 | 0 | 0 | 118.2 | ||||
| 73 | G | 26.2 | Very low | 29.6 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | cis | 179.2 | 158.2 | 2.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 74 | G | 25.1 | Very low | 29.8 | Very low | 77 Ų | 77 | 145.5 Ų | 145.5 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -91.4 | -178.2 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 75 | P | 47.5 | Very low | 30 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | cis | -139.7 | 177.7 | 39.6 | 29.2 | -3 | 0 | 0 | 0 | 113.9 | ||||
| 76 | E | 25.7 | Very low | 30.1 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | 167.9 | 176.4 | 96.1 | -87.5 | -143.9 | 121.2 | 0 | 0 | 112.6 | |||||
| 77 | R | 29.9 | Very low | 30.1 | Very low | 239 Ų | 239 | 149.6 Ų | 149.6 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -85.9 | 167 | -154.4 | -62.3 | 170.5 | 170.7 | -158.4 | -2.4 | 117.6 | ||||
| 78 | S | 29.4 | Very low | 29.7 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -63.8 | 175.5 | 178.3 | -31.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 79 | P | 38.6 | Very low | 30.2 | Very low | 128 Ų | 128 | 149.6 Ų | 149.6 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | -151 | -167.8 | 55.4 | 39.1 | -13.8 | 0 | 0 | 0 | 117.9 | |||||
| 80 | M | 27.7 | Very low | 30.2 | Very low | 175 Ų | 175 | 148.4 Ų | 148.4 | 86% | 0.862 | 81% | 0.811 | S | S | * | * | trans | -66.9 | 155.8 | -162.5 | -42.2 | -174.1 | 90.6 | 0 | 0 | 118.6 | ||||
| 81 | V | 29.1 | Very low | 30.5 | Very low | 141 Ų | 141 | 152.5 Ų | 152.5 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | -146.2 | 139.9 | 145.2 | -179.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 82 | V | 29.8 | Very low | 30.7 | Very low | 111 Ų | 111 | 151.1 Ų | 151.1 | 67% | 0.673 | 83% | 0.826 | S | S | * | * | trans | -83.1 | 141.7 | -179.4 | 180 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 83 | H | 30.4 | Very low | 30.8 | Very low | 187 Ų | 187 | 147.4 Ų | 147.4 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -139.9 | 119.5 | 149.7 | -102 | -73.9 | 0 | 0 | 0 | 111.4 | ||||
| 84 | H | 29 | Very low | 31 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 78% | 0.778 | 82% | 0.82 | S | S | * | * | trans | -91.7 | 140.4 | 164.8 | -103.8 | -26.3 | 0 | 0 | 0 | 109.6 | ||||
| 85 | Q | 29.9 | Very low | 31.5 | Very low | 197 Ų | 197 | 150.6 Ų | 150.6 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | 150.5 | 143.2 | 148.7 | -88.1 | 162.8 | 20.4 | 0 | 0 | 108.1 | ||||
| 86 | A | 27.5 | Very low | 30.7 | Very low | 96 Ų | 96 | 150.3 Ų | 150.3 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | cis | -161.2 | 155.8 | -6.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 87 | R | 29.3 | Very low | 30.8 | Very low | 243 Ų | 243 | 147.6 Ų | 147.6 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -76.9 | 142.4 | 177.7 | -84.7 | 178.1 | 167.2 | -161.6 | -2.8 | 112.6 | ||||
| 88 | S | 29.1 | Very low | 30.8 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | 157.9 | 170.4 | 117.5 | -69.5 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 89 | P | 37.2 | Very low | 30.6 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | -120.1 | 136.9 | -70.9 | 33.3 | -17.3 | 0 | 0 | 0 | 110.8 | |||||
| 90 | H | 28.5 | Very low | 30 | Very low | 199 Ų | 199 | 146.8 Ų | 146.8 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -111.1 | 131 | 171.4 | -96.8 | -81.1 | 0 | 0 | 0 | 111.4 | ||||
| 91 | M | 31.7 | Very low | 29.9 | Very low | 175 Ų | 175 | 144.4 Ų | 144.4 | 86% | 0.862 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -46 | 153.7 | 171.3 | -90.6 | -176 | 150.7 | 0 | 0 | 113.5 | ||
| 92 | P | 33.3 | Very low | 29.7 | Very low | 118 Ų | 118 | 146 Ų | 146 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 135.4 | 179.4 | 29.5 | -33.9 | 0 | 0 | 0 | 111.3 | ||
| 93 | P | 31.8 | Very low | 29.6 | Very low | 123 Ų | 123 | 149.5 Ų | 149.5 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 139.4 | 162.9 | 29.4 | -29.7 | 0 | 0 | 0 | 110.5 | ||
| 94 | S | 31.6 | Very low | 29.3 | Very low | 102 Ų | 102 | 149 Ų | 149 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | -43.7 | 155 | 171.7 | 46.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 95 | P | 34.1 | Very low | 29.3 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 143.9 | 178.3 | 27.6 | -34.6 | 0 | 0 | 0 | 111.7 | ||
| 96 | P | 31.1 | Very low | 29.2 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 154.9 | 174.9 | 29.1 | -33.2 | 0 | 0 | 0 | 111.3 | ||
| 97 | P | 28.9 | Very low | 29.3 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 143.4 | -173.4 | 27.4 | -33.5 | 0 | 0 | 0 | 112.1 | L99 | P97-L99 PolarHBondContact O-N 3.01Å; P97-L99 VanDerWaalsContact O-N 3.15Å |
| 98 | V | 29.1 | Very low | 29.3 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -53.6 | 112.9 | 169 | 178.7 | 0 | 0 | 0 | 0 | 109.1 | H100 | V98-H100 PolarHBondContact O-N 3.2Š| ||
| 99 | L | 24.3 | Very low | 29.3 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -74.3 | 111.2 | 170.3 | -105.4 | 161.5 | 0 | 0 | 0 | 109.1 | P97 | P97-L99 PolarHBondContact O-N 3.01Å; P97-L99 VanDerWaalsContact O-N 3.15Å | ||
| 100 | H | 26.7 | Very low | 28.8 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | -64.6 | 140.9 | 167.1 | -128.5 | -89 | 0 | 0 | 0 | 110.6 | V98 | V98-H100 PolarHBondContact O-N 3.2Š| ||
| 101 | D | 26.5 | Very low | 28.8 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 67% | 0.674 | 78% | 0.776 | S | S | * | * | trans | 33.2 | 91.2 | 151.5 | -69.5 | -46 | 0 | 0 | 0 | 119 | Q103 | D101-Q103 PolarHBondContact O-N 3.38Š| ||
| 102 | L | 24.6 | Very low | 28.6 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | trans | -81.7 | 93.8 | 143.4 | -95.9 | 155.3 | 0 | 0 | 0 | 108.2 | R104 | L102-R104 PolarHBondContact O-N 3.31Š| ||
| 103 | Q | 27.4 | Very low | 28.4 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -49.7 | 99.1 | 162.7 | -105.8 | 168.8 | -37.4 | 0 | 0 | 109.4 | D101 S105 | D101-Q103 PolarHBondContact O-N 3.38Å; Q103-S105 PolarHBondContact O-N 3.08Å; Q103-S105 VanDerWaalsContact O-N 3.14Å | ||
| 104 | R | 24.8 | Very low | 28.2 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 67% | 0.672 | 78% | 0.776 | S | S | * | * | trans | -71.2 | 105.8 | 169.1 | -114.4 | 179.9 | 179.9 | -157 | -1.5 | 108.7 | L102 E106 | L102-R104 PolarHBondContact O-N 3.31Å; R104-E106 HydrophobicContact CB-CG 4.3Å; R104-E106 WeakPolarHBondContact CD-OE1 3.3Å; R104-E106 HydrophobicContact CG-CG 4.43Å; R104-E106 IonicContact CZ-OE1 3.89Å; R104-E106 IonicContact NE-OE1 3.52Å; R104-E106 IonicContact NH1-OE1 3.08Å; R104-E106 PolarHBondContact NH1-OE1 3.28Å; R104-E106 PolarHBondContact O-N 3.14Å | ||
| 105 | S | 27.7 | Very low | 27.9 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -68.8 | 74.4 | 161 | 51.7 | 0 | 0 | 0 | 0 | 109.9 | Q103 S107 | Q103-S105 PolarHBondContact O-N 3.08Å; Q103-S105 VanDerWaalsContact O-N 3.14Å; S105-S107 PolarHBondContact O-N 3.46Å | ||
| 106 | E | 27.4 | Very low | 27.6 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | trans | -81.6 | 71.2 | 167.6 | -71.7 | -172 | 176.4 | 0 | 0 | 110 | R104 | R104-E106 HydrophobicContact CB-CG 4.3Å; R104-E106 WeakPolarHBondContact CD-OE1 3.3Å; R104-E106 HydrophobicContact CG-CG 4.43Å; R104-E106 IonicContact CZ-OE1 3.89Å; R104-E106 IonicContact NE-OE1 3.52Å; R104-E106 IonicContact NH1-OE1 3.08Å; R104-E106 PolarHBondContact NH1-OE1 3.28Å; R104-E106 PolarHBondContact O-N 3.14Å | ||
| 107 | S | 31 | Very low | 27.5 | Very low | 100 Ų | 100 | 149.3 Ų | 149.3 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | -113.1 | 92.5 | 168.8 | -57.8 | 0 | 0 | 0 | 0 | 108.3 | S105 | S105-S107 PolarHBondContact O-N 3.46Š| ||
| 108 | T | 29.4 | Very low | 27.4 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | 168.6 | 94.2 | 145 | 34.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 109 | S | 29 | Very low | 27.3 | Very low | 104 Ų | 104 | 148.8 Ų | 148.8 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 162.5 | 71.3 | 136.4 | -73.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 110 | Y | 25.3 | Very low | 27.3 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -141.7 | 94.9 | 156.6 | -88.7 | -84.9 | 0 | 0 | 0 | 107.1 | H237 | Y110-H237 AromaticContact CE1-NE2 3.81Å; Y110-H237 AromaticContact CZ-CE1 3.53Å; Y110-H237 AromaticContact CZ-NE2 3.57Å; Y110-H237 PolarHBondContact OH-CE1 3.48Å; Y110-H237 VanDerWaalsContact OH-CE1 3.23Å; Y110-H237 PolarHBondContact OH-NE2 3.24Å; Y110-H237 VanDerWaalsContact OH-NE2 3.08Å | ||
| 111 | V | 28.6 | Very low | 27.4 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | trans | -121.5 | 131 | 163.4 | -175 | 0 | 0 | 0 | 0 | 106 | ||||
| 112 | L | 28.4 | Very low | 27.4 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | 89.7 | 81 | 177.6 | -47.9 | -176.3 | 0 | 0 | 0 | 117.1 | ||||
| 113 | L | 29.6 | Very low | 27.6 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | -169.4 | 114.9 | 115.5 | -134.1 | 77.3 | 0 | 0 | 0 | 109.2 | |||||
| 114 | N | 27.3 | Very low | 27.6 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | -179.6 | 105.7 | 149.7 | -88.8 | -27.7 | 0 | 0 | 0 | 110 | ||||
| 115 | L | 25.8 | Very low | 27.8 | Very low | 185 Ų | 185 | 137.1 Ų | 137.1 | 97% | 0.969 | 81% | 0.812 | S | S | * | * | trans | -165.5 | 81.1 | 149.4 | -106.7 | 157.3 | 0 | 0 | 0 | 108.6 | ||||
| 116 | A | 26.9 | Very low | 27.6 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -174 | 98.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 117 | K | 28.5 | Very low | 27.6 | Very low | 221 Ų | 221 | 140.7 Ų | 140.7 | 96% | 0.961 | 82% | 0.824 | S | S | * | * | trans | -170.1 | 123.3 | 148.5 | -105.2 | 167.7 | -170.2 | -170.7 | 0 | 110.2 | ||||
| 118 | G | 27.2 | Very low | 27.2 | Very low | 70 Ų | 70 | 145.4 Ų | 145.4 | 72% | 0.722 | 83% | 0.833 | S | S | * | * | trans | 128.8 | 80.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 119 | L | 27.2 | Very low | 27 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 95% | 0.953 | 83% | 0.826 | S | S | * | * | -150.9 | 132.4 | 62.9 | -70.1 | 147.2 | 0 | 0 | 0 | 109.7 | |||||
| 120 | A | 24.2 | Very low | 26.9 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 88% | 0.884 | 83% | 0.829 | S | S | * | * | trans | -145.1 | 97.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 121 | A | 27.7 | Very low | 26.9 | Very low | 89 Ų | 89 | 141.7 Ų | 141.7 | 74% | 0.736 | 83% | 0.834 | S | S | * | * | trans | -154.5 | 127.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 122 | S | 26.9 | Very low | 26.7 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 83% | 0.834 | S | S | * | * | trans | 68.9 | 135.3 | -179.1 | 79.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 123 | S | 29.1 | Very low | 26.6 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | cis | -164.5 | 170.1 | 24.8 | 36.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 124 | E | 28.1 | Very low | 26.5 | Very low | 182 Ų | 182 | 136.7 Ų | 136.7 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 164.2 | -178.1 | -73 | 176.3 | 146.3 | 0 | 0 | 116.8 | ||
| 125 | P | 27.8 | Very low | 26.5 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 125.9 | -178.2 | 33.2 | -30.6 | 0 | 0 | 0 | 111.1 | ||
| 126 | L | 23.8 | Very low | 26.6 | Very low | 175 Ų | 175 | 139.8 Ų | 139.8 | 92% | 0.916 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 122 | 163.7 | -74.9 | 177.2 | 0 | 0 | 0 | 109.9 | ||
| 127 | I | 28.3 | Very low | 26.7 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 80% | 0.8 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 128.2 | 164.1 | -62.7 | 167.7 | 0 | 0 | 0 | 107.5 | ||
| 128 | F | 22.1 | Very low | 26.8 | Very low | 200 Ų | 200 | 142.4 Ų | 142.4 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | trans | -146 | 122 | 155.3 | -147.4 | -96.3 | 0 | 0 | 0 | 109.8 | ||||
| 129 | S | 25.4 | Very low | 26.7 | Very low | 97 Ų | 97 | 148.2 Ų | 148.2 | 68% | 0.678 | 84% | 0.842 | S | S | * | * | trans | -72.7 | 141.4 | 166 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 130 | A | 26.6 | Very low | 26.7 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 79% | 0.793 | 83% | 0.828 | S | S | * | * | trans | -150.7 | 123.8 | 154.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 131 | D | 24.8 | Very low | 26.7 | Very low | 162 Ų | 162 | 147.5 Ų | 147.5 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | trans | -68.3 | 155.1 | -177.6 | -61.4 | -68.9 | 0 | 0 | 0 | 114.4 | ||||
| 132 | G | 25.5 | Very low | 26.5 | Very low | 78 Ų | 78 | 147.7 Ų | 147.7 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | 85 | 108.3 | 137.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 133 | A | 25.2 | Very low | 26.5 | Very low | 87 Ų | 87 | 147.7 Ų | 147.7 | 72% | 0.719 | 82% | 0.822 | S | S | * | * | 169.2 | 113.9 | 113.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 134 | E | 27.3 | Very low | 26.3 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | 57.3 | 102.1 | 133.4 | -57.1 | 174.3 | -172.7 | 0 | 0 | 117.7 | ||||
| 135 | E | 29 | Very low | 26.2 | Very low | 190 Ų | 190 | 144.9 Ų | 144.9 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | 54.3 | 108.2 | 90.4 | -77.9 | -171.3 | -173.2 | 0 | 0 | 114.8 | |||||
| 136 | E | 27.4 | Very low | 26 | Very low | 203 Ų | 203 | 145 Ų | 145 | 95% | 0.949 | 82% | 0.824 | S | S | * | * | trans | -165.8 | 128.1 | 131.6 | -105.1 | 179.2 | -164.9 | 0 | 0 | 110.1 | ||||
| 137 | E | 28.6 | Very low | 26 | Very low | 196 Ų | 196 | 139.9 Ų | 139.9 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -82.5 | 170.3 | -175.5 | -71.5 | -173.4 | 147.1 | 0 | 0 | 113.6 | ||||
| 138 | E | 30.5 | Very low | 26.5 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -59.6 | 159.3 | -170.5 | -54.1 | -177.9 | 142.5 | 0 | 0 | 116.5 | ||||
| 139 | E | 25.4 | Very low | 26.9 | Very low | 192 Ų | 192 | 136.9 Ų | 136.9 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | -145.9 | 133.3 | 129 | -128 | -170.5 | -167 | 0 | 0 | 113.4 | |||||
| 140 | V | 26.3 | Very low | 27.2 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 68% | 0.679 | 82% | 0.817 | S | S | * | * | trans | -101.4 | 134.1 | 177.7 | 167.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 141 | I | 25.1 | Very low | 27.5 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | trans | -106 | 112 | 162 | -63.3 | 176.5 | 0 | 0 | 0 | 108.7 | ||||
| 142 | S | 23.6 | Very low | 28.1 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 65% | 0.65 | 81% | 0.811 | S | S | * | * | trans | -77 | 156.8 | 155.1 | 69.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 143 | S | 27.7 | Very low | 28.7 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | cis | -178.4 | 157.9 | 34.4 | 40.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 144 | G | 24 | Very low | 29.3 | Very low | 78 Ų | 78 | 139.8 Ų | 139.8 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -173.1 | 106.7 | 163 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 145 | D | 26.3 | Very low | 29.5 | Very low | 164 Ų | 164 | 138 Ų | 138 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -56.6 | 145.7 | -171.3 | -72 | -59.1 | 0 | 0 | 0 | 117.1 | ||||
| 146 | C | 22.7 | Very low | 30 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | -174.6 | 134.4 | 121.2 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 147 | G | 24.8 | Very low | 30.5 | Very low | 68 Ų | 68 | 133.2 Ų | 133.2 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | 74.4 | 108.9 | 134.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 148 | V | 37.7 | Very low | 31.1 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | trans | 20.1 | 137.5 | 141.1 | -66.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 149 | D | 30.5 | Very low | 31.6 | Very low | 162 Ų | 162 | 125.2 Ų | 125.2 | 87% | 0.866 | 73% | 0.728 | S | S | * | * | trans | 106.2 | 123.6 | 154.4 | -56.3 | -29.5 | 0 | 0 | 0 | 119 | ||||
| 150 | G | 31.7 | Very low | 32.2 | Very low | 75 Ų | 75 | 122.2 Ų | 122.2 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | trans | 101.2 | 76.9 | 150.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | A152 | G150-A152 PolarHBondContact O-N 3.41Š| ||
| 151 | T | 33.4 | Very low | 32.9 | Very low | 151 Ų | 151 | 122.6 Ų | 122.6 | 93% | 0.926 | 71% | 0.712 | S | S | * | * | trans | -66.9 | 94.2 | 163.8 | 15.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 152 | A | 36.8 | Very low | 33.7 | Very low | 73 Ų | 73 | 118 Ų | 118 | 60% | 0.603 | 70% | 0.698 | S | S | * | * | trans | -68.1 | 132.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | G150 W154 | G150-A152 PolarHBondContact O-N 3.41Å; A152-W154 PolarHBondContact O-N 2.99Å | ||
| 153 | P | 39.7 | Very low | 34.7 | Very low | 85 Ų | 85 | 119 Ų | 119 | 55% | 0.552 | 69% | 0.692 | S | S | * | * | trans | -60.5 | 127.5 | 175.7 | -22.7 | 32.7 | 0 | 0 | 0 | 110.3 | Y155 L156 | P153-Y155 PolarHBondContact O-N 3.18Å; P153-L156 PolarHBondContact O-N 3.01Å | ||
| 154 | W | 37.1 | Very low | 35.5 | Very low | 198 Ų | 198 | 118.1 Ų | 118.1 | 75% | 0.75 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -44.9 | -24 | 178.4 | 62.5 | -89.2 | 0 | 0 | 0 | 114.5 | A152 L156 R157 V158 | A152-W154 PolarHBondContact O-N 2.99Å; W154-L156 VanDerWaalsContact C-N 3.33Å; W154-L156 PolarHBondContact O-N 2.94Å; W154-R157 PolarHBondContact O-N 2.93Å; W154-V158 HydrophobicContact CE3-CG2 4.5Å; W154-V158 PolarHBondContact O-N 2.99Å |
| 155 | Y | 32.1 | Very low | 36.6 | Very low | 144 Ų | 144 | 118.4 Ų | 118.4 | 57% | 0.565 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -63.8 | -29 | 177 | -152.1 | -96.9 | 0 | 0 | 0 | 114.5 | P153 | P153-Y155 PolarHBondContact O-N 3.18Å |
| 156 | L | 39.7 | Very low | 37.6 | Very low | 104 Ų | 104 | 116 Ų | 116 | 55% | 0.545 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -76.3 | -32.1 | 178.8 | -72.9 | 169.6 | 0 | 0 | 0 | 112.4 | P153 W154 Q159 E160 | P153-L156 PolarHBondContact O-N 3.01Å; W154-L156 VanDerWaalsContact C-N 3.33Å; W154-L156 PolarHBondContact O-N 2.94Å; L156-Q159 PolarHBondContact O-N 2.99Å; L156-E160 PolarHBondContact O-N 3.44Å |
| 157 | R | 37 | Very low | 39 | Very low | 190 Ų | 190 | 112.6 Ų | 112.6 | 72% | 0.717 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -77 | -33.6 | -177 | -155.1 | 128.1 | -176.7 | 167.2 | -0.2 | 112.7 | W154 Q159 L161 | W154-R157 PolarHBondContact O-N 2.93Å; R157-Q159 VanDerWaalsContact C-N 3.29Å; R157-Q159 PolarHBondContact O-N 3.47Å; R157-L161 PolarHBondContact O-N 3.35Å |
| 158 | V | 41.6 | Very low | 40.4 | Very low | 94 Ų | 94 | 112.1 Ų | 112.1 | 57% | 0.57 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.6 | -29 | 173.8 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | W154 | W154-V158 HydrophobicContact CE3-CG2 4.5Å; W154-V158 PolarHBondContact O-N 2.99Å |
| 159 | Q | 40 | Very low | 41.1 | Very low | 107 Ų | 107 | 108.8 Ų | 108.8 | 50% | 0.5 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -80.5 | -32.2 | 177.3 | -83.5 | -178 | -23.7 | 0 | 0 | 114.1 | L156 R157 H163 | L156-Q159 PolarHBondContact O-N 2.99Å; R157-Q159 VanDerWaalsContact C-N 3.29Å; R157-Q159 PolarHBondContact O-N 3.47Å; Q159-H163 WeakPolarHBondContact O-CB 3.41Å; Q159-H163 PolarHBondContact O-N 3.15Å; Q159-H163 VanDerWaalsContact O-N 3.13Å |
| 160 | E | 38.3 | Very low | 42.1 | Very low | 130 Ų | 130 | 104.6 Ų | 104.6 | 61% | 0.607 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.5 | -44.3 | 175 | -88.7 | 178 | 152.2 | 0 | 0 | 112.1 | L156 A162 H163 D164 | L156-E160 PolarHBondContact O-N 3.44Å; E160-A162 PolarHBondContact O-N 3.36Å; E160-H163 PolarHBondContact O-N 3.45Å; E160-D164 PolarHBondContact O-N 3.26Å |
| 161 | L | 41.7 | Very low | 43.5 | Very low | 120 Ų | 120 | 109.5 Ų | 109.5 | 63% | 0.628 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.7 | -40.9 | 178.1 | -74.5 | 162.2 | 0 | 0 | 0 | 112.4 | R157 H163 S165 | R157-L161 PolarHBondContact O-N 3.35Å; L161-H163 VanDerWaalsContact C-N 3.34Å; L161-H163 PolarHBondContact O-N 3.16Å; L161-S165 PolarHBondContact O-N 3.39Å; L161-S165 VanDerWaalsContact O-N 3.15Å; L161-S165 PolarHBondContact O-OG 3.32Å; L161-S165 VanDerWaalsContact O-OG 3.11Å |
| 162 | A | 40.8 | Very low | 44.9 | Very low | 65 Ų | 65 | 104.6 Ų | 104.6 | 54% | 0.537 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.7 | -32 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E160 L166 | E160-A162 PolarHBondContact O-N 3.36Å; A162-L166 WeakPolarHBondContact O-CB 3.42Å; A162-L166 PolarHBondContact O-N 3Å |
| 163 | H | 45.4 | Very low | 45.9 | Very low | 116 Ų | 116 | 105.6 Ų | 105.6 | 54% | 0.537 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -74.1 | -38.9 | 178.5 | -172.7 | -97.7 | 0 | 0 | 0 | 111.9 | Q159 E160 L161 L166 I167 | Q159-H163 WeakPolarHBondContact O-CB 3.41Å; Q159-H163 PolarHBondContact O-N 3.15Å; Q159-H163 VanDerWaalsContact O-N 3.13Å; E160-H163 PolarHBondContact O-N 3.45Å; L161-H163 VanDerWaalsContact C-N 3.34Å; L161-H163 PolarHBondContact O-N 3.16Å; H163-L166 PolarHBondContact O-N 2.84Å; H163-I167 VanDerWaalsContact CE1-CD1 3.41Å; H163-I167 WeakPolarHBondContact CE1-CD1 3.44Å; H163-I167 WeakPolarHBondContact ND1-CD1 3.31Å; H163-I167 WeakPolarHBondContact O-CG1 3.24Å; H163-I167 PolarHBondContact O-N 2.86Å |
| 164 | D | 44.2 | Very low | 47.2 | Very low | 101 Ų | 101 | 107 Ų | 107 | 54% | 0.54 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.4 | -37 | 179.7 | -72.7 | -16.3 | 0 | 0 | 0 | 112.6 | E160 L166 I167 A168 | E160-D164 PolarHBondContact O-N 3.26Å; D164-L166 VanDerWaalsContact C-N 3.31Å; D164-L166 PolarHBondContact O-N 2.79Å; D164-I167 PolarHBondContact O-N 3.5Å; D164-A168 WeakPolarHBondContact O-CB 3.47Å; D164-A168 PolarHBondContact O-N 3.29Å |
| 165 | S | 48.3 | Very low | 48.6 | Very low | 83 Ų | 83 | 100.5 Ų | 100.5 | 58% | 0.58 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.7 | -37.3 | 171.1 | -61.3 | 0 | 0 | 0 | 0 | 112.3 | L161 A168 A169 | L161-S165 PolarHBondContact O-N 3.39Å; L161-S165 VanDerWaalsContact O-N 3.15Å; L161-S165 PolarHBondContact O-OG 3.32Å; L161-S165 VanDerWaalsContact O-OG 3.11Å; S165-A168 PolarHBondContact O-N 3.36Å; S165-A169 WeakPolarHBondContact O-CB 3.39Å; S165-A169 PolarHBondContact O-N 3.42Å |
| 166 | L | 46 | Very low | 50.4 | Low | 113 Ų | 113 | 100.1 Ų | 100.1 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.3 | -38.6 | 176.9 | -170.9 | 67.1 | 0 | 0 | 0 | 112 | A162 H163 D164 T170 | A162-L166 WeakPolarHBondContact O-CB 3.42Å; A162-L166 PolarHBondContact O-N 3Å; H163-L166 PolarHBondContact O-N 2.84Å; D164-L166 VanDerWaalsContact C-N 3.31Å; D164-L166 PolarHBondContact O-N 2.79Å; L166-T170 WeakPolarHBondContact O-CB 3.31Å; L166-T170 PolarHBondContact O-N 3.15Å; L166-T170 PolarHBondContact O-OG1 3.4Å |
| 167 | I | 51.8 | Low | 51.4 | Low | 56 Ų | 56 | 99.3 Ų | 99.3 | 29% | 0.287 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 175.2 | -71 | 169.8 | 0 | 0 | 0 | 111.1 | H163 D164 T170 R171 | H163-I167 VanDerWaalsContact CE1-CD1 3.41Å; H163-I167 WeakPolarHBondContact CE1-CD1 3.44Å; H163-I167 WeakPolarHBondContact ND1-CD1 3.31Å; H163-I167 WeakPolarHBondContact O-CG1 3.24Å; H163-I167 PolarHBondContact O-N 2.86Å; D164-I167 PolarHBondContact O-N 3.5Å; I167-T170 PolarHBondContact O-N 2.77Å; I167-R171 VanDerWaalsContact CG2-CZ 3.48Å; I167-R171 WeakPolarHBondContact O-CG 3.43Å; I167-R171 PolarHBondContact O-N 2.77Å |
| 168 | A | 55.3 | Low | 52.7 | Low | 58 Ų | 58 | 92.8 Ų | 92.8 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D164 S165 T170 R171 A172 | D164-A168 WeakPolarHBondContact O-CB 3.47Å; D164-A168 PolarHBondContact O-N 3.29Å; S165-A168 PolarHBondContact O-N 3.36Å; A168-T170 VanDerWaalsContact C-N 3.34Å; A168-T170 PolarHBondContact O-N 3Å; A168-R171 PolarHBondContact O-N 3.04Å; A168-A172 PolarHBondContact O-N 3.08Å |
| 169 | A | 51.9 | Low | 53.6 | Low | 59 Ų | 59 | 94.9 Ų | 94.9 | 49% | 0.488 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S165 A172 Q173 | S165-A169 WeakPolarHBondContact O-CB 3.39Å; S165-A169 PolarHBondContact O-N 3.42Å; A169-A172 PolarHBondContact O-N 2.88Å; A169-Q173 PolarHBondContact O-N 3.08Å |
| 170 | T | 51.9 | Low | 54.2 | Low | 75 Ų | 75 | 92.7 Ų | 92.7 | 46% | 0.46 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 178.5 | -49.4 | 0 | 0 | 0 | 0 | 111.9 | L166 I167 A168 Q173 L174 | L166-T170 WeakPolarHBondContact O-CB 3.31Å; L166-T170 PolarHBondContact O-N 3.15Å; L166-T170 PolarHBondContact O-OG1 3.4Å; I167-T170 PolarHBondContact O-N 2.77Å; A168-T170 VanDerWaalsContact C-N 3.34Å; A168-T170 PolarHBondContact O-N 3Å; T170-Q173 PolarHBondContact O-N 3.01Å; T170-L174 WeakPolarHBondContact O-CG 3.43Å; T170-L174 PolarHBondContact O-N 2.8Å; T170-L174 VanDerWaalsContact O-N 3.11Å |
| 171 | R | 61.6 | Low | 55 | Low | 177 Ų | 177 | 90.4 Ų | 90.4 | 67% | 0.668 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.8 | -39.5 | 174.9 | -74.8 | 179.5 | -177.9 | 140.2 | 1.6 | 112.4 | I167 A168 Q173 L174 A175 | I167-R171 VanDerWaalsContact CG2-CZ 3.48Å; I167-R171 WeakPolarHBondContact O-CG 3.43Å; I167-R171 PolarHBondContact O-N 2.77Å; A168-R171 PolarHBondContact O-N 3.04Å; R171-Q173 VanDerWaalsContact C-N 3.31Å; R171-Q173 PolarHBondContact O-N 3.24Å; R171-L174 PolarHBondContact O-N 3.28Å; R171-A175 PolarHBondContact O-N 3.19Å; R171-A175 VanDerWaalsContact O-N 3.09Å |
| 172 | A | 62.1 | Low | 55.6 | Low | 48 Ų | 48 | 91.4 Ų | 91.4 | 40% | 0.397 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.2 | -36.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | A168 A169 K176 | A168-A172 PolarHBondContact O-N 3.08Å; A169-A172 PolarHBondContact O-N 2.88Å; A172-K176 WeakPolarHBondContact O-CG 3.32Å; A172-K176 PolarHBondContact O-N 3.5Å |
| 173 | Q | 58.3 | Low | 56.2 | Low | 95 Ų | 95 | 93.4 Ų | 93.4 | 44% | 0.444 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.4 | -43.2 | 177.2 | -166.8 | 58.1 | 40 | 0 | 0 | 112.3 | A169 T170 R171 A175 K176 D177 | A169-Q173 PolarHBondContact O-N 3.08Å; T170-Q173 PolarHBondContact O-N 3.01Å; R171-Q173 VanDerWaalsContact C-N 3.31Å; R171-Q173 PolarHBondContact O-N 3.24Å; Q173-A175 VanDerWaalsContact C-N 3.26Å; Q173-A175 PolarHBondContact O-N 3.4Å; Q173-K176 PolarHBondContact O-N 3.35Å; Q173-K176 VanDerWaalsContact O-N 3.11Å; Q173-D177 PolarHBondContact NE2-OD1 3.29Å; Q173-D177 VanDerWaalsContact NE2-OD1 3.16Å; Q173-D177 PolarHBondContact O-N 3.05Å |
| 174 | L | 65.6 | Low | 56.5 | Low | 113 Ų | 113 | 91.8 Ų | 91.8 | 59% | 0.592 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.6 | -32.9 | 175.6 | -71.3 | 170.1 | 0 | 0 | 0 | 112.7 | T170 R171 A178 | T170-L174 WeakPolarHBondContact O-CG 3.43Å; T170-L174 PolarHBondContact O-N 2.8Å; T170-L174 VanDerWaalsContact O-N 3.11Å; R171-L174 PolarHBondContact O-N 3.28Å; L174-A178 WeakPolarHBondContact O-CB 3.29Å; L174-A178 PolarHBondContact O-N 3.34Å |
| 175 | A | 66.1 | Low | 56.7 | Low | 63 Ų | 63 | 97.9 Ų | 97.9 | 52% | 0.521 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.9 | -36.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R171 Q173 K179 | R171-A175 PolarHBondContact O-N 3.19Å; R171-A175 VanDerWaalsContact O-N 3.09Å; Q173-A175 VanDerWaalsContact C-N 3.26Å; Q173-A175 PolarHBondContact O-N 3.4Å; A175-K179 PolarHBondContact O-N 3.28Å |
| 176 | K | 69.8 | Low | 56.7 | Low | 135 Ų | 135 | 98.1 Ų | 98.1 | 59% | 0.587 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.7 | -41.6 | 175.5 | -70.7 | 172.8 | -175.9 | 179.3 | 0 | 111.6 | A172 Q173 K179 A180 | A172-K176 WeakPolarHBondContact O-CG 3.32Å; A172-K176 PolarHBondContact O-N 3.5Å; Q173-K176 PolarHBondContact O-N 3.35Å; Q173-K176 VanDerWaalsContact O-N 3.11Å; K176-K179 PolarHBondContact O-N 2.98Å; K176-A180 PolarHBondContact O-N 3.48Å |
| 177 | D | 62.5 | Low | 56.6 | Low | 87 Ų | 87 | 96 Ų | 96 | 47% | 0.465 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.1 | -34.2 | 179.7 | -61.6 | -15.3 | 0 | 0 | 0 | 111.9 | Q173 S181 | Q173-D177 PolarHBondContact NE2-OD1 3.29Å; Q173-D177 VanDerWaalsContact NE2-OD1 3.16Å; Q173-D177 PolarHBondContact O-N 3.05Å; D177-S181 PolarHBondContact O-N 2.98Å; D177-S181 VanDerWaalsContact O-N 3.08Å |
| 178 | A | 62.8 | Low | 56.3 | Low | 53 Ų | 53 | 101 Ų | 101 | 44% | 0.438 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.8 | -37.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L174 S181 Q182 | L174-A178 WeakPolarHBondContact O-CB 3.29Å; L174-A178 PolarHBondContact O-N 3.34Å; A178-S181 PolarHBondContact O-N 3.12Å; A178-Q182 WeakPolarHBondContact O-CG 3.48Å; A178-Q182 PolarHBondContact O-N 2.87Å |
| 179 | K | 61.2 | Low | 55.6 | Low | 138 Ų | 138 | 101 Ų | 101 | 60% | 0.6 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.6 | -44 | 176.6 | -167 | 168 | -177.9 | 174.5 | 0 | 111.5 | A175 K176 S181 Q182 D183 | A175-K179 PolarHBondContact O-N 3.28Å; K176-K179 PolarHBondContact O-N 2.98Å; K179-S181 VanDerWaalsContact C-N 3.28Å; K179-S181 PolarHBondContact O-N 3.14Å; K179-Q182 PolarHBondContact O-N 3.44Å; K179-Q182 VanDerWaalsContact O-N 3.08Å; K179-D183 PolarHBondContact O-N 3.3Å |
| 180 | A | 53.1 | Low | 55 | Low | 61 Ų | 61 | 104.4 Ų | 104.4 | 50% | 0.504 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.8 | -34.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K176 A184 | K176-A180 PolarHBondContact O-N 3.48Å; A180-A184 PolarHBondContact O-N 3.19Å |
| 181 | S | 54.5 | Low | 54 | Low | 82 Ų | 82 | 108 Ų | 108 | 57% | 0.573 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74 | -26.3 | 175.4 | -176.3 | 0 | 0 | 0 | 0 | 113.8 | D177 A178 K179 | D177-S181 PolarHBondContact O-N 2.98Å; D177-S181 VanDerWaalsContact O-N 3.08Å; A178-S181 PolarHBondContact O-N 3.12Å; K179-S181 VanDerWaalsContact C-N 3.28Å; K179-S181 PolarHBondContact O-N 3.14Å |
| 182 | Q | 54.8 | Low | 52.8 | Low | 142 Ų | 142 | 104 Ų | 104 | 66% | 0.664 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -78.4 | -39.9 | 175.6 | -76.4 | 177.9 | -21.1 | 0 | 0 | 111.1 | A178 K179 A184 R185 A186 | A178-Q182 WeakPolarHBondContact O-CG 3.48Å; A178-Q182 PolarHBondContact O-N 2.87Å; K179-Q182 PolarHBondContact O-N 3.44Å; K179-Q182 VanDerWaalsContact O-N 3.08Å; Q182-A184 VanDerWaalsContact C-N 3.33Å; Q182-A184 PolarHBondContact O-N 2.97Å; Q182-R185 PolarHBondContact O-N 3.45Å; Q182-R185 VanDerWaalsContact O-N 3.09Å; Q182-A186 PolarHBondContact O-N 2.92Å |
| 183 | D | 52.2 | Low | 51.6 | Low | 106 Ų | 106 | 108.5 Ų | 108.5 | 57% | 0.567 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.2 | -34.4 | 177.4 | -63.7 | -28.4 | 0 | 0 | 0 | 111.8 | K179 R185 A186 | K179-D183 PolarHBondContact O-N 3.3Å; D183-R185 VanDerWaalsContact C-N 3.25Å; D183-R185 PolarHBondContact O-N 3.43Å; D183-A186 PolarHBondContact O-N 3.2Å |
| 184 | A | 51.7 | Low | 50.4 | Low | 82 Ų | 82 | 113.3 Ų | 113.3 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68 | -20.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114 | A180 Q182 | A180-A184 PolarHBondContact O-N 3.19Å; Q182-A184 VanDerWaalsContact C-N 3.33Å; Q182-A184 PolarHBondContact O-N 2.97Å |
| 185 | R | 49.2 | Very low | 48.9 | Very low | 229 Ų | 229 | 115.3 Ų | 115.3 | 86% | 0.864 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -91.6 | -17.8 | 179.7 | -164.1 | 164 | -173.6 | 159.7 | 0.8 | 113 | Q182 D183 | Q182-R185 PolarHBondContact O-N 3.45Å; Q182-R185 VanDerWaalsContact O-N 3.09Å; D183-R185 VanDerWaalsContact C-N 3.25Å; D183-R185 PolarHBondContact O-N 3.43Å |
| 186 | A | 47.3 | Very low | 47.7 | Very low | 88 Ų | 88 | 118.4 Ų | 118.4 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -83.9 | -14.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q182 D183 N188 | Q182-A186 PolarHBondContact O-N 2.92Å; D183-A186 PolarHBondContact O-N 3.2Å; A186-N188 PolarHBondContact O-N 3.38Å |
| 187 | G | 45.3 | Very low | 46.2 | Very low | 69 Ų | 69 | 116.8 Ų | 116.8 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -86.9 | 8.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 188 | N | 45.7 | Very low | 44.4 | Very low | 162 Ų | 162 | 122.2 Ų | 122.2 | 87% | 0.866 | 71% | 0.711 | S | S | * | * | trans | -132.9 | 84.9 | 180 | -151 | 11 | 0 | 0 | 0 | 111.5 | A186 | A186-N188 PolarHBondContact O-N 3.38Š| ||
| 189 | G | 39.1 | Very low | 42.7 | Very low | 56 Ų | 56 | 126.3 Ų | 126.3 | 58% | 0.577 | 73% | 0.725 | S | S | * | * | trans | -159.5 | 138.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 190 | T | 39.3 | Very low | 41.4 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | trans | 104.7 | 126.9 | -178.3 | 71.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 191 | N | 31.5 | Very low | 40.4 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | cis | -155.4 | 163.8 | 13.4 | -94.7 | -30.5 | 0 | 0 | 0 | 111.5 | ||||
| 192 | S | 36.8 | Very low | 39.6 | Very low | 93 Ų | 93 | 130.3 Ų | 130.3 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | trans | -74.1 | 162 | -176.9 | -19.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 193 | D | 36 | Very low | 38.5 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | 74.4 | 104.3 | 144.4 | -53.1 | -31 | 0 | 0 | 0 | 121.9 | ||||
| 194 | H | 33.6 | Very low | 38.1 | Very low | 196 Ų | 196 | 133.5 Ų | 133.5 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | -177.8 | 133.6 | 115.5 | -101.1 | -49.7 | 0 | 0 | 0 | 112.4 | |||||
| 195 | L | 34.8 | Very low | 36.9 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -84.6 | 151.9 | 165.6 | -126.7 | 89.1 | 0 | 0 | 0 | 109.8 | ||||
| 196 | P | 39.9 | Very low | 36.1 | Very low | 127 Ų | 127 | 139 Ų | 139 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | -145.4 | 162.8 | 93.7 | 34.8 | -16.7 | 0 | 0 | 0 | 116.3 | |||||
| 197 | S | 37.9 | Very low | 35.3 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -60.3 | 139.4 | 177.7 | -166.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 198 | F | 26.5 | Very low | 34.7 | Very low | 201 Ų | 201 | 145.9 Ų | 145.9 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | -164.1 | 159.8 | 148 | -109 | -77.7 | 0 | 0 | 0 | 112.4 | ||||
| 199 | L | 26.6 | Very low | 34 | Very low | 140 Ų | 140 | 142.7 Ų | 142.7 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | trans | -64.9 | 150.9 | -159.1 | -65.4 | 154.9 | 0 | 0 | 0 | 117.9 | ||||
| 200 | S | 33.6 | Very low | 33.8 | Very low | 94 Ų | 94 | 151.2 Ų | 151.2 | 66% | 0.657 | 82% | 0.815 | S | S | * | * | trans | 41.5 | 152 | 137.1 | 70.4 | 0 | 0 | 0 | 0 | 124 | ||||
| 201 | E | 31.3 | Very low | 33.6 | Very low | 191 Ų | 191 | 150.8 Ų | 150.8 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | 95.3 | 130.4 | 156.4 | -67.9 | 176.2 | 125.8 | 0 | 0 | 118.4 | ||||
| 202 | G | 39.1 | Very low | 33.6 | Very low | 80 Ų | 80 | 150.2 Ų | 150.2 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -83.7 | 160.5 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 203 | A | 30.8 | Very low | 33.7 | Very low | 98 Ų | 98 | 157.2 Ų | 157.2 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | trans | -151.6 | 117.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | R205 | A203-R205 PolarHBondContact O-N 3.47Š| ||
| 204 | K | 43.6 | Very low | 33.7 | Very low | 217 Ų | 217 | 156 Ų | 156 | 94% | 0.943 | 82% | 0.821 | S | S | * | * | trans | -54.4 | 122.5 | 166.3 | -69.6 | 172 | 177.3 | 176.8 | 0 | 108.3 | ||||
| 205 | R | 27.8 | Very low | 34.2 | Very low | 237 Ų | 237 | 155 Ų | 155 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | trans | -130.1 | 106.9 | 160.9 | -162.5 | 172.8 | -174.5 | -169.3 | 1.4 | 108.3 | A203 Q207 | A203-R205 PolarHBondContact O-N 3.47Å; R205-Q207 PolarHBondContact O-N 3.39Å | ||
| 206 | E | 32.2 | Very low | 34.6 | Very low | 189 Ų | 189 | 152.8 Ų | 152.8 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 123.4 | 171.8 | -63.5 | -165.8 | 113 | 0 | 0 | 109.4 | ||
| 207 | Q | 30.4 | Very low | 35.1 | Very low | 178 Ų | 178 | 152 Ų | 152 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 135.4 | 162 | -65.5 | -172.4 | 15.1 | 0 | 0 | 107.5 | R205 A209 | R205-Q207 PolarHBondContact O-N 3.39Å; Q207-A209 PolarHBondContact O-N 3.08Å; Q207-A209 VanDerWaalsContact O-N 3.14Å |
| 208 | P | 33.1 | Very low | 36.4 | Very low | 124 Ų | 124 | 154.7 Ų | 154.7 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 123 | 173.5 | 24.2 | -30.9 | 0 | 0 | 0 | 108.6 | R210 | P208-R210 PolarHBondContact O-N 3.25Å; P208-R210 VanDerWaalsContact O-N 3.07Å |
| 209 | A | 31.2 | Very low | 38.7 | Very low | 95 Ų | 95 | 152.3 Ų | 152.3 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 117.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q207 | Q207-A209 PolarHBondContact O-N 3.08Å; Q207-A209 VanDerWaalsContact O-N 3.14Å |
| 210 | R | 34.3 | Very low | 41.4 | Very low | 235 Ų | 235 | 150.8 Ų | 150.8 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -52 | 126.7 | 161.5 | -73.3 | -179.4 | 176.8 | -162.9 | -1.5 | 106.4 | P208 N212 | P208-R210 PolarHBondContact O-N 3.25Å; P208-R210 VanDerWaalsContact O-N 3.07Å; R210-N212 PolarHBondContact O-N 3.01Å |
| 211 | P | 34.4 | Very low | 44.1 | Very low | 122 Ų | 122 | 148 Ų | 148 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -60.5 | 110.5 | 174.9 | 22.9 | -29.9 | 0 | 0 | 0 | 107.2 | R213 | P211-R213 PolarHBondContact O-N 2.79Š| ||
| 212 | N | 32.1 | Very low | 46.7 | Very low | 140 Ų | 140 | 147.9 Ų | 147.9 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | -52 | 110.7 | 171.1 | -167.3 | -4 | 0 | 0 | 0 | 105.9 | R210 T214 | R210-N212 PolarHBondContact O-N 3.01Å; N212-T214 PolarHBondContact O-N 3.42Å | ||
| 213 | R | 38.3 | Very low | 49.2 | Very low | 239 Ų | 239 | 144.7 Ų | 144.7 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | trans | -63 | 88.4 | 168.6 | -83.6 | -177.6 | 174.5 | 178.8 | -1.2 | 105.8 | P211 L215 | P211-R213 PolarHBondContact O-N 2.79Å; R213-L215 PolarHBondContact O-N 3.15Å; R213-L215 VanDerWaalsContact O-N 3.16Å | ||
| 214 | T | 36.6 | Very low | 51.8 | Low | 118 Ų | 118 | 145.8 Ų | 145.8 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | trans | -52.1 | 122.5 | 168.1 | 45.5 | 0 | 0 | 0 | 0 | 106.4 | N212 S216 | N212-T214 PolarHBondContact O-N 3.42Å; T214-S216 VanDerWaalsContact C-N 3.33Å; T214-S216 PolarHBondContact O-N 3.47Å | ||
| 215 | L | 44.9 | Very low | 53.8 | Low | 174 Ų | 174 | 140.9 Ų | 140.9 | 91% | 0.911 | 71% | 0.713 | S | S | * | * | trans | -51.3 | 103.3 | 169.3 | -84.7 | 134.5 | 0 | 0 | 0 | 107 | R213 S217 | R213-L215 PolarHBondContact O-N 3.15Å; R213-L215 VanDerWaalsContact O-N 3.16Å; L215-S217 PolarHBondContact O-N 2.93Å | ||
| 216 | S | 41.1 | Very low | 56.6 | Low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | trans | -50.7 | 113.8 | 174.7 | 178 | 0 | 0 | 0 | 0 | 107.4 | T214 K218 | T214-S216 VanDerWaalsContact C-N 3.33Å; T214-S216 PolarHBondContact O-N 3.47Å; S216-K218 PolarHBondContact O-N 3.04Å | ||
| 217 | S | 50.9 | Low | 59 | Low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | trans | -48.2 | 109.2 | 174 | 179 | 0 | 0 | 0 | 0 | 107.5 | L215 Q219 | L215-S217 PolarHBondContact O-N 2.93Å; S217-Q219 PolarHBondContact O-N 3.3Å | ||
| 218 | K | 64.9 | Low | 61.7 | Low | 159 Ų | 159 | 124.1 Ų | 124.1 | 69% | 0.691 | 66% | 0.662 | S | S | * | * | trans | -57.9 | 107.7 | 178.4 | -74.9 | 177.9 | -179.5 | 173.7 | 0 | 106.7 | S216 I220 | S216-K218 PolarHBondContact O-N 3.04Å; K218-I220 PolarHBondContact O-N 2.91Å | ||
| 219 | Q | 76.2 | Confident | 64.2 | Low | 151 Ų | 151 | 127.9 Ų | 127.9 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | trans | -55.1 | 112.1 | -179.6 | -176.8 | 175.8 | -25.6 | 0 | 0 | 109.2 | S217 L221 | S217-Q219 PolarHBondContact O-N 3.3Å; Q219-L221 HydrophobicContact CG-CD2 4.29Å; Q219-L221 PolarHBondContact O-N 3.2Å | ||
| 220 | I | 83.6 | Confident | 66.9 | Low | 107 Ų | 107 | 130.7 Ų | 130.7 | 55% | 0.549 | 65% | 0.651 | S | S | . | * | trans | -80.3 | 113.2 | 177.9 | -58.8 | 176.4 | 0 | 0 | 0 | 107.2 | K218 T231 | K218-I220 PolarHBondContact O-N 2.91Å; I220-T231 HydrophobicContact CG2-CG2 4.25Å | ||
| 221 | L | 88.3 | Confident | 69.6 | Low | 37 Ų | 37 | 123.4 Ų | 123.4 | 19% | 0.194 | 63% | 0.633 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.7 | 140.2 | 175.1 | -55.7 | 170.6 | 0 | 0 | 0 | 109.1 | Q219 T231 F232 P235 L238 | Q219-L221 HydrophobicContact CG-CD2 4.29Å; Q219-L221 PolarHBondContact O-N 3.2Å; L221-T231 CarbonylContact O-C 3.57Å; L221-T231 WeakPolarHBondContact O-CA 3.48Å; L221-F232 WeakPolarHBondContact CA-O 3.36Å; L221-F232 WeakPolarHBondContact CB-O 3.34Å; L221-F232 PolarHBondContact N-O 3.41Å; L221-F232 PolarHBondContact O-N 2.9Å; L221-P235 HydrophobicContact CD1-CB 4Å; L221-P235 HydrophobicContact CD1-CG 3.77Å; L221-L238 HydrophobicContact CB-CD2 3.89Å; L221-L238 HydrophobicContact CD1-CD2 4.35Å |
| 222 | R | 87.1 | Confident | 72.2 | Confident | 188 Ų | 188 | 118.8 Ų | 118.8 | 71% | 0.709 | 60% | 0.601 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.5 | 145.8 | 178.5 | -57.5 | -168.8 | 172.7 | 159.7 | -3.8 | 109.8 | T231 | R222-T231 HydrophobicContact CG-CG2 3.92Å |
| 223 | C | 90.8 | Very high | 75 | Confident | 12 Ų | 12 | 115.8 Ų | 115.8 | 8% | 0.081 | 59% | 0.587 | C | S | . | * | trans | -67.1 | 135.4 | 167 | -169.2 | 0 | 0 | 0 | 0 | 109.1 | C228 R230 F232 L238 H241 | C223-C228 HydrophobicContact CB-CB 4.3Å; C223-R230 PolarHBondContact N-O 3.04Å; C223-F232 HydrophobicContact CB-CE2 4.46Å; C223-L238 HydrophobicContact CB-CD1 4.36Å; C223-H241 PolarHBondContact SG-NE2 3.36Å | ||
| 224 | S | 85.4 | Confident | 77.4 | Confident | 121 Ų | 121 | 110.9 Ų | 110.9 | 85% | 0.846 | 57% | 0.569 | S | S | * | * | trans | -95.3 | 3.5 | 179.7 | -50.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 225 | F | 86.1 | Confident | 79.9 | Confident | 114 Ų | 114 | 109.5 Ų | 109.5 | 50% | 0.5 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -77.6 | 132.1 | -179.4 | -163 | -93.7 | 0 | 0 | 0 | 110 | G227 C228 H245 | F225-G227 PolarHBondContact O-N 3.48Å; F225-C228 HydrophobicContact CB-CB 4.07Å; F225-C228 PolarHBondContact O-N 2.92Å; F225-H245 AromaticContact CD1-CE1 3.54Å; F225-H245 AromaticContact CD1-ND1 3.32Å; F225-H245 VanDerWaalsContact CD1-ND1 3.32Å; F225-H245 WeakPolarHBondContact CD1-ND1 3.43Å; F225-H245 HydrophobicContact CD2-CB 4.19Å; F225-H245 AromaticContact CE1-ND1 3.69Å; F225-H245 HydrophobicContact CE2-CB 4.38Å; F225-H245 HydrophobicContact CG-CB 4.44Å; F225-H245 AromaticContact CG-CE1 3.83Å; F225-H245 AromaticContact CG-CG 3.86Å; F225-H245 AromaticContact CG-ND1 3.53Å |
| 226 | E | 86.1 | Confident | 81.9 | Confident | 182 Ų | 182 | 104.7 Ų | 104.7 | 85% | 0.85 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 129.7 | 179.7 | -166.5 | 169.2 | -172.2 | 0 | 0 | 110.3 | C228 | E226-C228 VanDerWaalsContact C-N 3.29Å; E226-C228 PolarHBondContact O-N 3.03Å |
| 227 | G | 83.1 | Confident | 84.1 | Confident | 58 Ų | 58 | 102.6 Ų | 102.6 | 60% | 0.598 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -1.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | F225 | F225-G227 PolarHBondContact O-N 3.48Š|
| 228 | C | 87.3 | Confident | 86 | Confident | 13 Ų | 13 | 98.7 Ų | 98.7 | 9% | 0.088 | 50% | 0.496 | C | S | . | . | trans | -111.1 | 99 | 171.5 | -163.2 | 0 | 0 | 0 | 0 | 112.7 | C223 F225 E226 R230 H241 H245 | C223-C228 HydrophobicContact CB-CB 4.3Å; F225-C228 HydrophobicContact CB-CB 4.07Å; F225-C228 PolarHBondContact O-N 2.92Å; E226-C228 VanDerWaalsContact C-N 3.29Å; E226-C228 PolarHBondContact O-N 3.03Å; C228-R230 VanDerWaalsContact C-N 3.31Å; C228-R230 PolarHBondContact O-N 2.97Å; C228-H241 PolarHBondContact SG-CE1 3.42Å; C228-H241 PolarHBondContact SG-NE2 3.41Å; C228-H245 PolarHBondContact SG-NE2 3.1Å; C228-H245 VanDerWaalsContact SG-NE2 3.38Å | ||
| 229 | Y | 84.6 | Confident | 87.1 | Confident | 203 Ų | 203 | 98.1 Ų | 98.1 | 80% | 0.796 | 49% | 0.493 | S | S | * | . | trans | -94.4 | 25.4 | -179.9 | -53.7 | -70.3 | 0 | 0 | 0 | 113.6 | ||||
| 230 | R | 88.6 | Confident | 87.6 | Confident | 153 Ų | 153 | 95.3 Ų | 95.3 | 58% | 0.577 | 48% | 0.477 | S | S | * | . | trans | -75.2 | 137.7 | -178.5 | -65.8 | -175 | 79.5 | 170.2 | 5.7 | 111.1 | C223 C228 F232 | C223-R230 PolarHBondContact N-O 3.04Å; C228-R230 VanDerWaalsContact C-N 3.31Å; C228-R230 PolarHBondContact O-N 2.97Å; R230-F232 HydrophobicContact CB-CE2 3.67Å; R230-F232 HydrophobicContact CB-CZ 3.85Å | ||
| 231 | T | 91.1 | Very high | 87.9 | Confident | 82 Ų | 82 | 90.7 Ų | 90.7 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 148.3 | 177.3 | 65.6 | 0 | 0 | 0 | 0 | 110.6 | I220 L221 R222 | I220-T231 HydrophobicContact CG2-CG2 4.25Å; L221-T231 CarbonylContact O-C 3.57Å; L221-T231 WeakPolarHBondContact O-CA 3.48Å; R222-T231 HydrophobicContact CG-CG2 3.92Å |
| 232 | F | 90.1 | Very high | 87.8 | Confident | 26 Ų | 26 | 91.7 Ų | 91.7 | 11% | 0.114 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 139.7 | -173.7 | -61.4 | -86.9 | 0 | 0 | 0 | 109.4 | L221 C223 R230 H237 L238 H241 | L221-F232 WeakPolarHBondContact CA-O 3.36Å; L221-F232 WeakPolarHBondContact CB-O 3.34Å; L221-F232 PolarHBondContact N-O 3.41Å; L221-F232 PolarHBondContact O-N 2.9Å; C223-F232 HydrophobicContact CB-CE2 4.46Å; R230-F232 HydrophobicContact CB-CE2 3.67Å; R230-F232 HydrophobicContact CB-CZ 3.85Å; F232-H237 HydrophobicContact CD1-CB 3.84Å; F232-L238 HydrophobicContact CB-CB 4.15Å; F232-L238 HydrophobicContact CD2-CB 4.16Å; F232-L238 HydrophobicContact CD2-CD1 3.74Å; F232-L238 HydrophobicContact CE2-CD1 4.02Å; F232-L238 HydrophobicContact CG-CB 4.15Å; F232-H241 HydrophobicContact CE1-CB 3.91Å; F232-H241 HydrophobicContact CE2-CB 4.08Å; F232-H241 AromaticContact CE2-CD2 3.23Å; F232-H241 WeakPolarHBondContact CE2-CD2 3.42Å; F232-H241 AromaticContact CE2-CG 3.74Å; F232-H241 AromaticContact CE2-NE2 3.87Å; F232-H241 HydrophobicContact CZ-CB 3.47Å; F232-H241 VanDerWaalsContact CZ-CB 3.47Å; F232-H241 AromaticContact CZ-CD2 3.3Å; F232-H241 WeakPolarHBondContact CZ-CD2 3.43Å; F232-H241 AromaticContact CZ-CG 3.29Å; F232-H241 AromaticContact CZ-ND1 3.98Å; F232-H241 AromaticContact CZ-NE2 3.95Å |
| 233 | T | 90.9 | Very high | 87.9 | Confident | 76 Ų | 76 | 85 Ų | 85 | 47% | 0.466 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -89.2 | -19.1 | 174.3 | 46.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 234 | W | 87.9 | Confident | 87.7 | Confident | 137 Ų | 137 | 86.9 Ų | 86.9 | 52% | 0.519 | 45% | 0.445 | S | S | . | . | trans | -121.5 | 128.1 | -174.3 | -59.9 | 98 | 0 | 0 | 0 | 111.5 | A236 H237 L238 | W234-A236 VanDerWaalsContact C-N 3.26Å; W234-A236 PolarHBondContact O-N 3.36Å; W234-H237 HydrophobicContact CB-CB 4.35Å; W234-H237 PolarHBondContact O-N 3.13Å; W234-H237 VanDerWaalsContact O-N 3.09Å; W234-L238 PolarHBondContact O-N 3.38Å; W234-L238 VanDerWaalsContact O-N 3.17Å | ||
| 235 | P | 88.9 | Confident | 87.8 | Confident | 89 Ų | 89 | 84 Ų | 84 | 58% | 0.578 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -56.9 | -36.8 | 177.5 | -21.8 | 27.3 | 0 | 0 | 0 | 113.6 | L221 H237 L238 K239 | L221-P235 HydrophobicContact CD1-CB 4Å; L221-P235 HydrophobicContact CD1-CG 3.77Å; P235-H237 VanDerWaalsContact C-N 3.32Å; P235-H237 PolarHBondContact O-N 3.31Å; P235-L238 PolarHBondContact O-N 3.12Å; P235-K239 WeakPolarHBondContact O-CB 3.01Å; P235-K239 PolarHBondContact O-N 2.93Å |
| 236 | A | 86.9 | Confident | 87.8 | Confident | 73 Ų | 73 | 88.1 Ų | 88.1 | 60% | 0.603 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.9 | -37.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W234 K239 Y240 | W234-A236 VanDerWaalsContact C-N 3.26Å; W234-A236 PolarHBondContact O-N 3.36Å; A236-K239 PolarHBondContact O-N 3.19Å; A236-Y240 PolarHBondContact O-N 3.24Å |
| 237 | H | 88.3 | Confident | 87.8 | Confident | 63 Ų | 63 | 83.9 Ų | 83.9 | 29% | 0.292 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.9 | -40.1 | 176.2 | -70.9 | -179.9 | 0 | 0 | 0 | 111.8 | Y110 F232 W234 P235 Y240 H241 | Y110-H237 AromaticContact CE1-NE2 3.81Å; Y110-H237 AromaticContact CZ-CE1 3.53Å; Y110-H237 AromaticContact CZ-NE2 3.57Å; Y110-H237 PolarHBondContact OH-CE1 3.48Å; Y110-H237 VanDerWaalsContact OH-CE1 3.23Å; Y110-H237 PolarHBondContact OH-NE2 3.24Å; Y110-H237 VanDerWaalsContact OH-NE2 3.08Å; F232-H237 HydrophobicContact CD1-CB 3.84Å; W234-H237 HydrophobicContact CB-CB 4.35Å; W234-H237 PolarHBondContact O-N 3.13Å; W234-H237 VanDerWaalsContact O-N 3.09Å; P235-H237 VanDerWaalsContact C-N 3.32Å; P235-H237 PolarHBondContact O-N 3.31Å; H237-Y240 PolarHBondContact O-N 3.2Å; H237-H241 VanDerWaalsContact O-CB 3.32Å; H237-H241 WeakPolarHBondContact O-CB 3.47Å; H237-H241 PolarHBondContact O-N 3.38Å |
| 238 | L | 89.2 | Confident | 88 | Confident | 28 Ų | 28 | 84.3 Ų | 84.3 | 15% | 0.147 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 172.6 | 175.7 | 60 | 0 | 0 | 0 | 110.7 | L221 C223 F232 W234 P235 Y240 H241 L242 | L221-L238 HydrophobicContact CB-CD2 3.89Å; L221-L238 HydrophobicContact CD1-CD2 4.35Å; C223-L238 HydrophobicContact CB-CD1 4.36Å; F232-L238 HydrophobicContact CB-CB 4.15Å; F232-L238 HydrophobicContact CD2-CB 4.16Å; F232-L238 HydrophobicContact CD2-CD1 3.74Å; F232-L238 HydrophobicContact CE2-CD1 4.02Å; F232-L238 HydrophobicContact CG-CB 4.15Å; W234-L238 PolarHBondContact O-N 3.38Å; W234-L238 VanDerWaalsContact O-N 3.17Å; P235-L238 PolarHBondContact O-N 3.12Å; L238-Y240 VanDerWaalsContact C-N 3.35Å; L238-Y240 PolarHBondContact O-N 3.42Å; L238-H241 CarbonylContact O-C 3.59Å; L238-H241 WeakPolarHBondContact O-CB 3.31Å; L238-H241 PolarHBondContact O-N 3.28Å; L238-H241 VanDerWaalsContact O-N 3.12Å; L238-L242 HydrophobicContact CD1-CD1 4.29Å; L238-L242 HydrophobicContact CD1-CD2 4.39Å; L238-L242 HydrophobicContact CD1-CG 4.06Å; L238-L242 HydrophobicContact CG-CD1 4.15Å; L238-L242 HydrophobicContact CG-CG 4.36Å; L238-L242 WeakPolarHBondContact O-CG 3.35Å; L238-L242 PolarHBondContact O-N 2.75Å |
| 239 | K | 87.9 | Confident | 87.9 | Confident | 148 Ų | 148 | 87.7 Ų | 87.7 | 64% | 0.643 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -59.2 | -44.4 | 177.5 | -171.9 | 174.8 | -177 | 175.9 | 0 | 111.9 | P235 A236 H241 L242 K243 | P235-K239 WeakPolarHBondContact O-CB 3.01Å; P235-K239 PolarHBondContact O-N 2.93Å; A236-K239 PolarHBondContact O-N 3.19Å; K239-H241 VanDerWaalsContact C-N 3.35Å; K239-L242 PolarHBondContact O-N 2.93Å; K239-K243 PolarHBondContact O-N 3.33Å |
| 240 | Y | 87.7 | Confident | 88.1 | Confident | 91 Ų | 91 | 81.5 Ų | 81.5 | 36% | 0.357 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 173.9 | 174.3 | -95.9 | 0 | 0 | 0 | 111.9 | A236 H237 L238 K243 T244 V264 | A236-Y240 PolarHBondContact O-N 3.24Å; H237-Y240 PolarHBondContact O-N 3.2Å; L238-Y240 VanDerWaalsContact C-N 3.35Å; L238-Y240 PolarHBondContact O-N 3.42Å; Y240-K243 WeakPolarHBondContact O-CB 3.47Å; Y240-K243 PolarHBondContact O-N 2.97Å; Y240-T244 HydrophobicContact CE1-CG2 4.47Å; Y240-T244 PolarHBondContact O-N 3.02Å; Y240-V264 HydrophobicContact CD2-CG1 3.6Å; Y240-V264 HydrophobicContact CE2-CG1 3.67Å; Y240-V264 HydrophobicContact CE2-CG2 4.25Å |
| 241 | H | 88.6 | Confident | 88.1 | Confident | 10 Ų | 10 | 77.3 Ų | 77.3 | 5% | 0.046 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 176.9 | 169.7 | 57.5 | 0 | 0 | 0 | 112.2 | C223 C228 F232 H237 L238 K239 K243 T244 H245 | C223-H241 PolarHBondContact SG-NE2 3.36Å; C228-H241 PolarHBondContact SG-CE1 3.42Å; C228-H241 PolarHBondContact SG-NE2 3.41Å; F232-H241 HydrophobicContact CE1-CB 3.91Å; F232-H241 HydrophobicContact CE2-CB 4.08Å; F232-H241 AromaticContact CE2-CD2 3.23Å; F232-H241 WeakPolarHBondContact CE2-CD2 3.42Å; F232-H241 AromaticContact CE2-CG 3.74Å; F232-H241 AromaticContact CE2-NE2 3.87Å; F232-H241 HydrophobicContact CZ-CB 3.47Å; F232-H241 VanDerWaalsContact CZ-CB 3.47Å; F232-H241 AromaticContact CZ-CD2 3.3Å; F232-H241 WeakPolarHBondContact CZ-CD2 3.43Å; F232-H241 AromaticContact CZ-CG 3.29Å; F232-H241 AromaticContact CZ-ND1 3.98Å; F232-H241 AromaticContact CZ-NE2 3.95Å; H237-H241 VanDerWaalsContact O-CB 3.32Å; H237-H241 WeakPolarHBondContact O-CB 3.47Å; H237-H241 PolarHBondContact O-N 3.38Å; L238-H241 CarbonylContact O-C 3.59Å; L238-H241 WeakPolarHBondContact O-CB 3.31Å; L238-H241 PolarHBondContact O-N 3.28Å; L238-H241 VanDerWaalsContact O-N 3.12Å; K239-H241 VanDerWaalsContact C-N 3.35Å; H241-K243 PolarHBondContact O-N 2.76Å; H241-T244 WeakPolarHBondContact O-CA 3.4Å; H241-T244 WeakPolarHBondContact O-CB 3.32Å; H241-T244 PolarHBondContact O-N 2.91Å; H241-T244 PolarHBondContact O-OG1 2.9Å; H241-H245 AromaticContact CE1-CD2 3.66Å; H241-H245 AromaticContact CE1-NE2 3.12Å; H241-H245 PolarHBondContact CE1-NE2 3.25Å; H241-H245 AromaticContact NE2-CD2 3.72Å; H241-H245 AromaticContact NE2-NE2 3.24Å; H241-H245 PolarHBondContact NE2-NE2 3.45Å; H241-H245 PolarHBondContact O-N 3.26Å |
| 242 | L | 87.8 | Confident | 88.1 | Confident | 59 Ų | 59 | 81.9 Ų | 81.9 | 31% | 0.309 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.1 | -32.2 | 175.9 | -68.3 | 173.9 | 0 | 0 | 0 | 112.5 | L238 K239 T244 H245 R246 | L238-L242 HydrophobicContact CD1-CD1 4.29Å; L238-L242 HydrophobicContact CD1-CD2 4.39Å; L238-L242 HydrophobicContact CD1-CG 4.06Å; L238-L242 HydrophobicContact CG-CD1 4.15Å; L238-L242 HydrophobicContact CG-CG 4.36Å; L238-L242 WeakPolarHBondContact O-CG 3.35Å; L238-L242 PolarHBondContact O-N 2.75Å; K239-L242 PolarHBondContact O-N 2.93Å; L242-T244 PolarHBondContact O-N 2.88Å; L242-H245 PolarHBondContact O-N 3.14Å; L242-R246 PolarHBondContact O-N 2.91Å |
| 243 | K | 87.8 | Confident | 88.3 | Confident | 47 Ų | 47 | 80.8 Ų | 80.8 | 20% | 0.204 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.1 | -29.9 | 171.1 | -66.7 | -172.3 | 173.5 | -155.7 | 0 | 112.6 | K239 Y240 H241 R246 N247 D248 Y263 | K239-K243 PolarHBondContact O-N 3.33Å; Y240-K243 WeakPolarHBondContact O-CB 3.47Å; Y240-K243 PolarHBondContact O-N 2.97Å; H241-K243 PolarHBondContact O-N 2.76Å; K243-R246 PolarHBondContact O-N 3.31Å; K243-N247 PolarHBondContact O-N 3.44Å; K243-D248 HydrophobicContact CB-CB 4.24Å; K243-D248 HydrophobicContact CG-CB 4.45Å; K243-D248 PolarHBondContact O-N 3.3Å; K243-Y263 HydrophobicContact CB-CD1 4.11Å; K243-Y263 PolarHBondContact NZ-O 3.45Å |
| 244 | T | 88 | Confident | 88.2 | Confident | 51 Ų | 51 | 80.9 Ų | 80.9 | 31% | 0.313 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -71 | -34.9 | 177.5 | 69.2 | 0 | 0 | 0 | 0 | 112.4 | Y240 H241 L242 N247 Y263 | Y240-T244 HydrophobicContact CE1-CG2 4.47Å; Y240-T244 PolarHBondContact O-N 3.02Å; H241-T244 WeakPolarHBondContact O-CA 3.4Å; H241-T244 WeakPolarHBondContact O-CB 3.32Å; H241-T244 PolarHBondContact O-N 2.91Å; H241-T244 PolarHBondContact O-OG1 2.9Å; L242-T244 PolarHBondContact O-N 2.88Å; T244-N247 PolarHBondContact O-N 2.86Å; T244-Y263 HydrophobicContact CG2-CE2 4.47Å |
| 245 | H | 87.1 | Confident | 88.2 | Confident | 61 Ų | 61 | 75.7 Ų | 75.7 | 28% | 0.282 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 173 | -77 | -69.8 | 0 | 0 | 0 | 112.3 | F225 C228 H241 L242 N247 | F225-H245 AromaticContact CD1-CE1 3.54Å; F225-H245 AromaticContact CD1-ND1 3.32Å; F225-H245 VanDerWaalsContact CD1-ND1 3.32Å; F225-H245 WeakPolarHBondContact CD1-ND1 3.43Å; F225-H245 HydrophobicContact CD2-CB 4.19Å; F225-H245 AromaticContact CE1-ND1 3.69Å; F225-H245 HydrophobicContact CE2-CB 4.38Å; F225-H245 HydrophobicContact CG-CB 4.44Å; F225-H245 AromaticContact CG-CE1 3.83Å; F225-H245 AromaticContact CG-CG 3.86Å; F225-H245 AromaticContact CG-ND1 3.53Å; C228-H245 PolarHBondContact SG-NE2 3.1Å; C228-H245 VanDerWaalsContact SG-NE2 3.38Å; H241-H245 AromaticContact CE1-CD2 3.66Å; H241-H245 AromaticContact CE1-NE2 3.12Å; H241-H245 PolarHBondContact CE1-NE2 3.25Å; H241-H245 AromaticContact NE2-CD2 3.72Å; H241-H245 AromaticContact NE2-NE2 3.24Å; H241-H245 PolarHBondContact NE2-NE2 3.45Å; H241-H245 PolarHBondContact O-N 3.26Å; L242-H245 PolarHBondContact O-N 3.14Å; H245-N247 PolarHBondContact O-N 3.21Å |
| 246 | R | 87 | Confident | 88.2 | Confident | 201 Ų | 201 | 80.8 Ų | 80.8 | 76% | 0.758 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -2.9 | 178.9 | -62.7 | 178.5 | -179.2 | 175.2 | -1.8 | 113.5 | L242 K243 D248 | L242-R246 PolarHBondContact O-N 2.91Å; K243-R246 PolarHBondContact O-N 3.31Å; R246-D248 HydrophobicContact CB-CB 4.09Å; R246-D248 PolarHBondContact O-N 3.06Å; R246-D248 VanDerWaalsContact O-N 3.1Å |
| 247 | N | 84.9 | Confident | 88.1 | Confident | 92 Ų | 92 | 81.7 Ų | 81.7 | 49% | 0.492 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 36 | -168.5 | -161.7 | 34.1 | 0 | 0 | 0 | 112.6 | K243 T244 H245 R249 Y263 | K243-N247 PolarHBondContact O-N 3.44Å; T244-N247 PolarHBondContact O-N 2.86Å; H245-N247 PolarHBondContact O-N 3.21Å; N247-R249 VanDerWaalsContact C-N 3.33Å; N247-R249 PolarHBondContact O-N 3.36Å; N247-R249 VanDerWaalsContact OD1-CZ 3.29Å; N247-R249 PolarHBondContact OD1-NE 2.59Å; N247-R249 PolarHBondContact OD1-NH2 3.37Å; N247-Y263 PolarHBondContact OD1-OH 3.23Å |
| 248 | D | 87 | Confident | 88.3 | Confident | 67 Ų | 67 | 79.9 Ų | 79.9 | 36% | 0.358 | 42% | 0.415 | S | S | . | . | trans | -78.6 | 78.2 | -171.9 | 177.9 | 26.9 | 0 | 0 | 0 | 111.1 | K243 R246 T250 Y263 | K243-D248 HydrophobicContact CB-CB 4.24Å; K243-D248 HydrophobicContact CG-CB 4.45Å; K243-D248 PolarHBondContact O-N 3.3Å; R246-D248 HydrophobicContact CB-CB 4.09Å; R246-D248 PolarHBondContact O-N 3.06Å; R246-D248 VanDerWaalsContact O-N 3.1Å; D248-T250 PolarHBondContact O-N 2.91Å; D248-T250 WeakPolarHBondContact OD1-CG2 3.36Å; D248-Y263 VanDerWaalsContact O-CD1 3.31Å; D248-Y263 WeakPolarHBondContact O-CD1 3.38Å | ||
| 249 | R | 86.4 | Confident | 88.2 | Confident | 84 Ų | 84 | 80.8 Ų | 80.8 | 32% | 0.317 | 43% | 0.432 | S | S | . | . | trans | -91.6 | 74.6 | -179.3 | -62.3 | -179.4 | -166.4 | 177.4 | 8 | 110.5 | N247 F251 S261 F262 Y263 | N247-R249 VanDerWaalsContact C-N 3.33Å; N247-R249 PolarHBondContact O-N 3.36Å; N247-R249 VanDerWaalsContact OD1-CZ 3.29Å; N247-R249 PolarHBondContact OD1-NE 2.59Å; N247-R249 PolarHBondContact OD1-NH2 3.37Å; R249-F251 VanDerWaalsContact C-N 3.26Å; R249-F251 PolarHBondContact O-N 3.46Å; R249-S261 VanDerWaalsContact CB-OG 3.25Å; R249-S261 WeakPolarHBondContact CB-OG 3.24Å; R249-S261 WeakPolarHBondContact CD-O 3.45Å; R249-S261 VanDerWaalsContact CD-OG 3.24Å; R249-S261 WeakPolarHBondContact CD-OG 3.3Å; R249-F262 CarbonylContact C-O 3.52Å; R249-F262 WeakPolarHBondContact CA-O 3.44Å; R249-Y263 HydrophobicContact CG-CD1 3.82Å; R249-Y263 HydrophobicContact CG-CE1 3.46Å; R249-Y263 VanDerWaalsContact CG-CE1 3.46Å; R249-Y263 HydrophobicContact CG-CE2 4.23Å; R249-Y263 HydrophobicContact CG-CG 4.33Å; R249-Y263 PolarHBondContact NE-OH 2.56Å | ||
| 250 | T | 88.6 | Confident | 88.3 | Confident | 74 Ų | 74 | 79.3 Ų | 79.3 | 45% | 0.454 | 43% | 0.425 | S | S | . | . | trans | -62.9 | -27.5 | -175.8 | 56.9 | 0 | 0 | 0 | 0 | 114.2 | D248 F262 | D248-T250 PolarHBondContact O-N 2.91Å; D248-T250 WeakPolarHBondContact OD1-CG2 3.36Å; T250-F262 PolarHBondContact N-O 3.48Å | ||
| 251 | F | 88.9 | Confident | 88.5 | Confident | 64 Ų | 64 | 76.7 Ų | 76.7 | 28% | 0.281 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 103.6 | -172.6 | -61.5 | -79.7 | 0 | 0 | 0 | 111.1 | R249 S261 F262 L265 L268 | R249-F251 VanDerWaalsContact C-N 3.26Å; R249-F251 PolarHBondContact O-N 3.46Å; F251-S261 CarbonylContact O-C 3.58Å; F251-S261 VanDerWaalsContact O-CA 3.26Å; F251-S261 WeakPolarHBondContact O-CA 3.39Å; F251-F262 HydrophobicContact CB-CB 4.38Å; F251-F262 WeakPolarHBondContact CB-O 3.38Å; F251-F262 PolarHBondContact N-O 2.97Å; F251-F262 PolarHBondContact O-N 2.77Å; F251-L265 HydrophobicContact CD1-CB 4.05Å; F251-L265 HydrophobicContact CD1-CD1 3.84Å; F251-L265 HydrophobicContact CE1-CB 3.78Å; F251-L265 HydrophobicContact CE1-CD1 4.05Å; F251-L265 HydrophobicContact CE1-CG 4.41Å; F251-L265 HydrophobicContact CE2-CB 4.41Å; F251-L265 HydrophobicContact CG-CB 4.48Å; F251-L265 HydrophobicContact CZ-CB 3.97Å; F251-L268 HydrophobicContact CB-CB 4.18Å; F251-L268 HydrophobicContact CB-CD2 3.95Å |
| 252 | R | 90.3 | Very high | 88.6 | Confident | 178 Ų | 178 | 77.6 Ų | 77.6 | 67% | 0.672 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 142.8 | 178.1 | -170.4 | -177.5 | -69.1 | -111 | 2.9 | 111.4 | K260 | R252-K260 CarbonylContact C-O 3.52Å |
| 253 | C | 93.3 | Very high | 88.7 | Confident | 4 Ų | 4 | 76.9 Ų | 76.9 | 3% | 0.027 | 42% | 0.417 | C | S | . | . | trans | -72.8 | 124 | 168.2 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | A255 C258 K260 L268 H275 | C253-A255 VanDerWaalsContact C-N 3.31Å; C253-A255 VanDerWaalsContact SG-CB 3.58Å; C253-A255 PolarHBondContact SG-N 3.37Å; C253-C258 HydrophobicContact CB-CB 4.38Å; C253-K260 WeakPolarHBondContact CB-O 3.2Å; C253-K260 PolarHBondContact N-O 3.38Å; C253-L268 HydrophobicContact CB-CD1 3.93Å; C253-H275 PolarHBondContact SG-NE2 2.82Å | ||
| 254 | G | 88.9 | Confident | 88.7 | Confident | 78 Ų | 78 | 76.6 Ų | 76.6 | 80% | 0.804 | 42% | 0.42 | S | S | * | . | trans | -83.8 | 0.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E256 | G254-E256 PolarHBondContact O-N 3.29Š| ||
| 255 | A | 89.3 | Confident | 88.8 | Confident | 27 Ų | 27 | 78.2 Ų | 78.2 | 22% | 0.223 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -68 | 132 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | C253 G257 C258 | C253-A255 VanDerWaalsContact C-N 3.31Å; C253-A255 VanDerWaalsContact SG-CB 3.58Å; C253-A255 PolarHBondContact SG-N 3.37Å; A255-G257 PolarHBondContact O-N 2.76Å; A255-C258 HydrophobicContact CB-CB 4.04Å; A255-C258 WeakPolarHBondContact O-CB 3.37Å; A255-C258 PolarHBondContact O-N 3.27Å; A255-C258 VanDerWaalsContact O-N 3.09Å |
| 256 | E | 88.1 | Confident | 88.9 | Confident | 197 Ų | 197 | 81.7 Ų | 81.7 | 92% | 0.921 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 133.5 | 178.4 | -65.5 | -173.1 | 171.2 | 0 | 0 | 110.8 | G254 C258 | G254-E256 PolarHBondContact O-N 3.29Å; E256-C258 PolarHBondContact O-N 3.13Å |
| 257 | G | 86.1 | Confident | 89.1 | Confident | 92 Ų | 92 | 77.3 Ų | 77.3 | 95% | 0.948 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | -1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | A255 | A255-G257 PolarHBondContact O-N 2.76Š|
| 258 | C | 91.2 | Very high | 89.4 | Confident | 24 Ų | 24 | 74 Ų | 74 | 16% | 0.162 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -52.3 | -179.7 | -173.2 | 0 | 0 | 0 | 0 | 113.3 | C253 A255 E256 K260 H271 H275 | C253-C258 HydrophobicContact CB-CB 4.38Å; A255-C258 HydrophobicContact CB-CB 4.04Å; A255-C258 WeakPolarHBondContact O-CB 3.37Å; A255-C258 PolarHBondContact O-N 3.27Å; A255-C258 VanDerWaalsContact O-N 3.09Å; E256-C258 PolarHBondContact O-N 3.13Å; C258-K260 PolarHBondContact O-N 2.73Å; C258-H271 PolarHBondContact SG-NE2 2.93Å; C258-H275 VanDerWaalsContact SG-CE1 3.58Å; C258-H275 PolarHBondContact SG-NE2 3.01Å |
| 259 | G | 86.9 | Confident | 89.6 | Confident | 48 Ų | 48 | 75.9 Ų | 75.9 | 50% | 0.495 | 42% | 0.415 | S | S | . | . | trans | 62.1 | 0.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 260 | K | 90.7 | Very high | 89.8 | Confident | 117 Ų | 117 | 73.5 Ų | 73.5 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | trans | -71.9 | 143 | -175.4 | -70.4 | 172.7 | -171.1 | 163.8 | 0 | 112.1 | R252 C253 C258 F262 | R252-K260 CarbonylContact C-O 3.52Å; C253-K260 WeakPolarHBondContact CB-O 3.2Å; C253-K260 PolarHBondContact N-O 3.38Å; C258-K260 PolarHBondContact O-N 2.73Å; K260-F262 HydrophobicContact CB-CE2 3.99Å; K260-F262 HydrophobicContact CB-CZ 4.05Å | ||
| 261 | S | 91.9 | Very high | 89.9 | Confident | 35 Ų | 35 | 70.8 Ų | 70.8 | 25% | 0.245 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 151.3 | 177.9 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | R249 F251 | R249-S261 VanDerWaalsContact CB-OG 3.25Å; R249-S261 WeakPolarHBondContact CB-OG 3.24Å; R249-S261 WeakPolarHBondContact CD-O 3.45Å; R249-S261 VanDerWaalsContact CD-OG 3.24Å; R249-S261 WeakPolarHBondContact CD-OG 3.3Å; F251-S261 CarbonylContact O-C 3.58Å; F251-S261 VanDerWaalsContact O-CA 3.26Å; F251-S261 WeakPolarHBondContact O-CA 3.39Å |
| 262 | F | 91.2 | Very high | 90.1 | Very high | 30 Ų | 30 | 70.5 Ų | 70.5 | 13% | 0.132 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 152.5 | -171.3 | -56.4 | -87.2 | 0 | 0 | 0 | 111.5 | R249 T250 F251 K260 R267 L268 H271 | R249-F262 CarbonylContact C-O 3.52Å; R249-F262 WeakPolarHBondContact CA-O 3.44Å; T250-F262 PolarHBondContact N-O 3.48Å; F251-F262 HydrophobicContact CB-CB 4.38Å; F251-F262 WeakPolarHBondContact CB-O 3.38Å; F251-F262 PolarHBondContact N-O 2.97Å; F251-F262 PolarHBondContact O-N 2.77Å; K260-F262 HydrophobicContact CB-CE2 3.99Å; K260-F262 HydrophobicContact CB-CZ 4.05Å; F262-R267 HydrophobicContact CB-CB 4.1Å; F262-R267 HydrophobicContact CD1-CB 3.89Å; F262-R267 HydrophobicContact CG-CB 4.22Å; F262-L268 HydrophobicContact CB-CB 4.44Å; F262-L268 HydrophobicContact CD2-CB 3.85Å; F262-L268 HydrophobicContact CD2-CD1 3.79Å; F262-L268 HydrophobicContact CD2-CG 4.42Å; F262-L268 HydrophobicContact CE2-CD1 3.87Å; F262-L268 HydrophobicContact CG-CB 4.32Å; F262-H271 HydrophobicContact CE1-CB 3.92Å; F262-H271 HydrophobicContact CE2-CB 3.81Å; F262-H271 AromaticContact CE2-CD2 3.26Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.3Å; F262-H271 AromaticContact CE2-CG 3.62Å; F262-H271 HydrophobicContact CZ-CB 3.34Å; F262-H271 AromaticContact CZ-CD2 3.35Å; F262-H271 WeakPolarHBondContact CZ-CD2 3.32Å; F262-H271 AromaticContact CZ-CG 3.21Å; F262-H271 AromaticContact CZ-ND1 3.92Å |
| 263 | Y | 88.7 | Confident | 90.1 | Very high | 43 Ų | 43 | 65.1 Ų | 65.1 | 17% | 0.169 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -76.9 | -23.5 | -179.8 | -58.8 | -74 | 0 | 0 | 0 | 114.2 | K243 T244 N247 D248 R249 | K243-Y263 HydrophobicContact CB-CD1 4.11Å; K243-Y263 PolarHBondContact NZ-O 3.45Å; T244-Y263 HydrophobicContact CG2-CE2 4.47Å; N247-Y263 PolarHBondContact OD1-OH 3.23Å; D248-Y263 VanDerWaalsContact O-CD1 3.31Å; D248-Y263 WeakPolarHBondContact O-CD1 3.38Å; R249-Y263 HydrophobicContact CG-CD1 3.82Å; R249-Y263 HydrophobicContact CG-CE1 3.46Å; R249-Y263 VanDerWaalsContact CG-CE1 3.46Å; R249-Y263 HydrophobicContact CG-CE2 4.23Å; R249-Y263 HydrophobicContact CG-CG 4.33Å; R249-Y263 PolarHBondContact NE-OH 2.56Å |
| 264 | V | 89.1 | Confident | 90.1 | Very high | 42 Ų | 42 | 68.5 Ų | 68.5 | 26% | 0.255 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -140.6 | 145.5 | -176.7 | -66.8 | 0 | 0 | 0 | 0 | 111.2 | Y240 Q266 R267 L268 | Y240-V264 HydrophobicContact CD2-CG1 3.6Å; Y240-V264 HydrophobicContact CE2-CG1 3.67Å; Y240-V264 HydrophobicContact CE2-CG2 4.25Å; V264-Q266 VanDerWaalsContact C-N 3.3Å; V264-Q266 PolarHBondContact O-N 2.89Å; V264-R267 HydrophobicContact CG2-CB 3.9Å; V264-R267 HydrophobicContact CG2-CG 3.39Å; V264-R267 PolarHBondContact O-N 3.42Å; V264-R267 VanDerWaalsContact O-N 3.09Å; V264-L268 PolarHBondContact O-N 3.35Å |
| 265 | L | 89.3 | Confident | 90.1 | Very high | 84 Ų | 84 | 68.6 Ų | 68.6 | 44% | 0.44 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.4 | -40.9 | -178.5 | -176.2 | 61.2 | 0 | 0 | 0 | 112.8 | F251 R267 L268 Q269 | F251-L265 HydrophobicContact CD1-CB 4.05Å; F251-L265 HydrophobicContact CD1-CD1 3.84Å; F251-L265 HydrophobicContact CE1-CB 3.78Å; F251-L265 HydrophobicContact CE1-CD1 4.05Å; F251-L265 HydrophobicContact CE1-CG 4.41Å; F251-L265 HydrophobicContact CE2-CB 4.41Å; F251-L265 HydrophobicContact CG-CB 4.48Å; F251-L265 HydrophobicContact CZ-CB 3.97Å; L265-R267 PolarHBondContact O-N 3.45Å; L265-L268 HydrophobicContact CD1-CD2 4.33Å; L265-L268 WeakPolarHBondContact O-CA 3.36Å; L265-L268 WeakPolarHBondContact O-CB 3.46Å; L265-L268 PolarHBondContact O-N 3.26Å; L265-Q269 HydrophobicContact CG-CG 4.47Å; L265-Q269 PolarHBondContact O-N 3.27Å |
| 266 | Q | 89.6 | Confident | 90.1 | Very high | 135 Ų | 135 | 72.4 Ų | 72.4 | 63% | 0.631 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -56.8 | -35.4 | 178.5 | -169.7 | -171.1 | 24.8 | 0 | 0 | 112.4 | V264 V270 | V264-Q266 VanDerWaalsContact C-N 3.3Å; V264-Q266 PolarHBondContact O-N 2.89Å; Q266-V270 WeakPolarHBondContact O-CG2 3.4Å; Q266-V270 PolarHBondContact O-N 2.74Å; Q266-V270 VanDerWaalsContact O-N 3.07Å |
| 267 | R | 90.2 | Very high | 90.2 | Very high | 109 Ų | 109 | 65.2 Ų | 65.2 | 41% | 0.411 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -73.4 | -37.4 | 178.4 | -69.5 | -73.1 | 175.4 | 154.9 | -0.3 | 111.4 | F262 V264 L265 V270 H271 | F262-R267 HydrophobicContact CB-CB 4.1Å; F262-R267 HydrophobicContact CD1-CB 3.89Å; F262-R267 HydrophobicContact CG-CB 4.22Å; V264-R267 HydrophobicContact CG2-CB 3.9Å; V264-R267 HydrophobicContact CG2-CG 3.39Å; V264-R267 PolarHBondContact O-N 3.42Å; V264-R267 VanDerWaalsContact O-N 3.09Å; L265-R267 PolarHBondContact O-N 3.45Å; R267-V270 PolarHBondContact O-N 3.04Å; R267-H271 WeakPolarHBondContact O-CB 3.35Å; R267-H271 PolarHBondContact O-N 3.46Å |
| 268 | L | 92.2 | Very high | 90.4 | Very high | 23 Ų | 23 | 65 Ų | 65 | 12% | 0.12 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 171.1 | 174.3 | 60.7 | 0 | 0 | 0 | 110.8 | F251 C253 F262 V264 L265 V270 H271 M272 | F251-L268 HydrophobicContact CB-CB 4.18Å; F251-L268 HydrophobicContact CB-CD2 3.95Å; C253-L268 HydrophobicContact CB-CD1 3.93Å; F262-L268 HydrophobicContact CB-CB 4.44Å; F262-L268 HydrophobicContact CD2-CB 3.85Å; F262-L268 HydrophobicContact CD2-CD1 3.79Å; F262-L268 HydrophobicContact CD2-CG 4.42Å; F262-L268 HydrophobicContact CE2-CD1 3.87Å; F262-L268 HydrophobicContact CG-CB 4.32Å; V264-L268 PolarHBondContact O-N 3.35Å; L265-L268 HydrophobicContact CD1-CD2 4.33Å; L265-L268 WeakPolarHBondContact O-CA 3.36Å; L265-L268 WeakPolarHBondContact O-CB 3.46Å; L265-L268 PolarHBondContact O-N 3.26Å; L268-V270 PolarHBondContact O-N 3.31Å; L268-H271 CarbonylContact O-C 3.3Å; L268-H271 WeakPolarHBondContact O-CA 3.32Å; L268-H271 WeakPolarHBondContact O-CB 3.32Å; L268-H271 PolarHBondContact O-N 2.9Å; L268-M272 HydrophobicContact CD1-CG 4.31Å; L268-M272 HydrophobicContact CD1-SD 4.13Å; L268-M272 WeakPolarHBondContact O-CG 3.49Å; L268-M272 PolarHBondContact O-N 3.35Å |
| 269 | Q | 90.4 | Very high | 90.4 | Very high | 106 Ų | 106 | 68.8 Ų | 68.8 | 50% | 0.495 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 177.9 | -72.2 | 176.5 | -28.2 | 0 | 0 | 112.8 | L265 H271 M272 | L265-Q269 HydrophobicContact CG-CG 4.47Å; L265-Q269 PolarHBondContact O-N 3.27Å; Q269-H271 VanDerWaalsContact C-N 3.29Å; Q269-H271 PolarHBondContact O-N 3.23Å; Q269-M272 PolarHBondContact O-N 3.45Å |
| 270 | V | 90.9 | Very high | 90.6 | Very high | 33 Ų | 33 | 70.1 Ų | 70.1 | 20% | 0.2 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.8 | -36 | 174.7 | 173 | 0 | 0 | 0 | 0 | 111.2 | Q266 R267 L268 R273 T294 | Q266-V270 WeakPolarHBondContact O-CG2 3.4Å; Q266-V270 PolarHBondContact O-N 2.74Å; Q266-V270 VanDerWaalsContact O-N 3.07Å; R267-V270 PolarHBondContact O-N 3.04Å; L268-V270 PolarHBondContact O-N 3.31Å; V270-R273 WeakPolarHBondContact O-CB 3.48Å; V270-R273 PolarHBondContact O-N 3.4Å; V270-T294 HydrophobicContact CG1-CG2 3.7Å |
| 271 | H | 91.8 | Very high | 90.7 | Very high | 17 Ų | 17 | 67.7 Ų | 67.7 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.6 | -37.6 | 175.2 | 167.3 | 57.6 | 0 | 0 | 0 | 112.7 | C258 F262 R267 L268 Q269 R273 T274 H275 | C258-H271 PolarHBondContact SG-NE2 2.93Å; F262-H271 HydrophobicContact CE1-CB 3.92Å; F262-H271 HydrophobicContact CE2-CB 3.81Å; F262-H271 AromaticContact CE2-CD2 3.26Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.3Å; F262-H271 AromaticContact CE2-CG 3.62Å; F262-H271 HydrophobicContact CZ-CB 3.34Å; F262-H271 AromaticContact CZ-CD2 3.35Å; F262-H271 WeakPolarHBondContact CZ-CD2 3.32Å; F262-H271 AromaticContact CZ-CG 3.21Å; F262-H271 AromaticContact CZ-ND1 3.92Å; R267-H271 WeakPolarHBondContact O-CB 3.35Å; R267-H271 PolarHBondContact O-N 3.46Å; L268-H271 CarbonylContact O-C 3.3Å; L268-H271 WeakPolarHBondContact O-CA 3.32Å; L268-H271 WeakPolarHBondContact O-CB 3.32Å; L268-H271 PolarHBondContact O-N 2.9Å; Q269-H271 VanDerWaalsContact C-N 3.29Å; Q269-H271 PolarHBondContact O-N 3.23Å; H271-R273 PolarHBondContact O-N 3.21Å; H271-R273 VanDerWaalsContact O-N 3.1Å; H271-T274 PolarHBondContact CE1-OG1 3.36Å; H271-T274 PolarHBondContact ND1-OG1 2.73Å; H271-T274 WeakPolarHBondContact O-CB 3.32Å; H271-T274 WeakPolarHBondContact O-CG2 3.38Å; H271-T274 PolarHBondContact O-N 3.12Å; H271-T274 PolarHBondContact O-OG1 2.86Å; H271-H275 AromaticContact CE1-NE2 3.43Å; H271-H275 PolarHBondContact CE1-NE2 3.47Å; H271-H275 AromaticContact NE2-CD2 3.94Å; H271-H275 AromaticContact NE2-NE2 3.28Å; H271-H275 PolarHBondContact NE2-NE2 2.88Å |
| 272 | M | 91.2 | Very high | 90.7 | Very high | 59 Ų | 59 | 69.8 Ų | 69.8 | 29% | 0.291 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.1 | -28.6 | 177.5 | -68.5 | -52.3 | -63.9 | 0 | 0 | 112.8 | L268 Q269 T274 H275 N276 | L268-M272 HydrophobicContact CD1-CG 4.31Å; L268-M272 HydrophobicContact CD1-SD 4.13Å; L268-M272 WeakPolarHBondContact O-CG 3.49Å; L268-M272 PolarHBondContact O-N 3.35Å; Q269-M272 PolarHBondContact O-N 3.45Å; M272-T274 PolarHBondContact O-N 3.31Å; M272-T274 VanDerWaalsContact O-N 3.08Å; M272-H275 PolarHBondContact O-N 3.38Å; M272-N276 PolarHBondContact O-N 3.3Å; M272-N276 VanDerWaalsContact O-N 3.14Å |
| 273 | R | 92.3 | Very high | 90.9 | Very high | 65 Ų | 65 | 68.5 Ų | 68.5 | 25% | 0.245 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.1 | -20.6 | 172.5 | -59.7 | -177.2 | -171.7 | 152.5 | 6 | 114 | V270 H271 G277 D278 T293 | V270-R273 WeakPolarHBondContact O-CB 3.48Å; V270-R273 PolarHBondContact O-N 3.4Å; H271-R273 PolarHBondContact O-N 3.21Å; H271-R273 VanDerWaalsContact O-N 3.1Å; R273-G277 CarbonylContact O-C 3.59Å; R273-G277 WeakPolarHBondContact O-CA 3.41Å; R273-G277 PolarHBondContact O-N 3.42Å; R273-G277 VanDerWaalsContact O-N 3.08Å; R273-D278 HydrophobicContact CB-CB 4.11Å; R273-D278 WeakPolarHBondContact CB-O 3.37Å; R273-D278 HydrophobicContact CG-CB 4.02Å; R273-D278 PolarHBondContact O-N 2.99Å; R273-T293 HydrophobicContact CB-CG2 4.37Å; R273-T293 PolarHBondContact NH1-O 3.46Å |
| 274 | T | 92.1 | Very high | 91 | Very high | 74 Ų | 74 | 76.1 Ų | 76.1 | 45% | 0.454 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -77.3 | -23.9 | 174.9 | 66.4 | 0 | 0 | 0 | 0 | 113.1 | H271 M272 | H271-T274 PolarHBondContact CE1-OG1 3.36Å; H271-T274 PolarHBondContact ND1-OG1 2.73Å; H271-T274 WeakPolarHBondContact O-CB 3.32Å; H271-T274 WeakPolarHBondContact O-CG2 3.38Å; H271-T274 PolarHBondContact O-N 3.12Å; H271-T274 PolarHBondContact O-OG1 2.86Å; M272-T274 PolarHBondContact O-N 3.31Å; M272-T274 VanDerWaalsContact O-N 3.08Å |
| 275 | H | 89.8 | Confident | 91 | Very high | 81 Ų | 81 | 77.5 Ų | 77.5 | 38% | 0.375 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -84.3 | -47.6 | 174 | -65.6 | -64.3 | 0 | 0 | 0 | 110.9 | C253 C258 H271 M272 G277 | C253-H275 PolarHBondContact SG-NE2 2.82Å; C258-H275 VanDerWaalsContact SG-CE1 3.58Å; C258-H275 PolarHBondContact SG-NE2 3.01Å; H271-H275 AromaticContact CE1-NE2 3.43Å; H271-H275 PolarHBondContact CE1-NE2 3.47Å; H271-H275 AromaticContact NE2-CD2 3.94Å; H271-H275 AromaticContact NE2-NE2 3.28Å; H271-H275 PolarHBondContact NE2-NE2 2.88Å; M272-H275 PolarHBondContact O-N 3.38Å; H275-G277 VanDerWaalsContact C-N 3.28Å; H275-G277 PolarHBondContact O-N 3.09Å |
| 276 | N | 89.2 | Confident | 90.7 | Very high | 106 Ų | 106 | 82.5 Ų | 82.5 | 57% | 0.567 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -80.5 | -10.7 | -175.7 | -59.2 | 2.2 | 0 | 0 | 0 | 113.1 | M272 D278 | M272-N276 PolarHBondContact O-N 3.3Å; M272-N276 VanDerWaalsContact O-N 3.14Å; N276-D278 PolarHBondContact O-N 3.17Å |
| 277 | G | 88.8 | Confident | 90.4 | Very high | 46 Ų | 46 | 83.7 Ų | 83.7 | 47% | 0.474 | 42% | 0.416 | S | S | . | . | trans | 74.1 | 6.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R273 H275 K279 | R273-G277 CarbonylContact O-C 3.59Å; R273-G277 WeakPolarHBondContact O-CA 3.41Å; R273-G277 PolarHBondContact O-N 3.42Å; R273-G277 VanDerWaalsContact O-N 3.08Å; H275-G277 VanDerWaalsContact C-N 3.28Å; H275-G277 PolarHBondContact O-N 3.09Å; G277-K279 WeakPolarHBondContact O-CG 3.36Å; G277-K279 PolarHBondContact O-N 3.25Å | ||
| 278 | D | 91.4 | Very high | 90.5 | Very high | 87 Ų | 87 | 79.7 Ų | 79.7 | 47% | 0.465 | 40% | 0.404 | S | S | . | . | trans | -59.9 | 117.9 | -177 | -74.5 | -29.4 | 0 | 0 | 0 | 112.7 | R273 N276 P280 | R273-D278 HydrophobicContact CB-CB 4.11Å; R273-D278 WeakPolarHBondContact CB-O 3.37Å; R273-D278 HydrophobicContact CG-CB 4.02Å; R273-D278 PolarHBondContact O-N 2.99Å; N276-D278 PolarHBondContact O-N 3.17Å; D278-P280 WeakPolarHBondContact O-CD 3.47Å | ||
| 279 | K | 91.4 | Very high | 90.3 | Very high | 104 Ų | 104 | 80.9 Ų | 80.9 | 45% | 0.452 | 42% | 0.423 | S | S | . | . | trans | -128 | 76.6 | 178.9 | -69 | 168.7 | -173.3 | 177.8 | 0 | 109.9 | G277 F281 K291 F292 T293 | G277-K279 WeakPolarHBondContact O-CG 3.36Å; G277-K279 PolarHBondContact O-N 3.25Å; K279-F281 PolarHBondContact O-N 2.87Å; K279-K291 HydrophobicContact CB-CB 3.51Å; K279-K291 HydrophobicContact CD-CB 4.14Å; K279-K291 HydrophobicContact CG-CB 4.43Å; K279-F292 CarbonylContact C-O 3.52Å; K279-F292 VanDerWaalsContact C-O 3.3Å; K279-F292 VanDerWaalsContact CA-O 3.32Å; K279-F292 WeakPolarHBondContact CA-O 3.47Å; K279-T293 HydrophobicContact CG-CG2 3.91Å | ||
| 280 | P | 90.3 | Very high | 90.3 | Very high | 77 Ų | 77 | 81.6 Ų | 81.6 | 50% | 0.5 | 42% | 0.424 | S | S | . | . | trans | -69.2 | -17.9 | -172.5 | 25.1 | -32.5 | 0 | 0 | 0 | 113.5 | D278 | D278-P280 WeakPolarHBondContact O-CD 3.47Š| ||
| 281 | F | 92.6 | Very high | 90.4 | Very high | 66 Ų | 66 | 86.1 Ų | 86.1 | 29% | 0.289 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 108.5 | -175.3 | -57.8 | -78 | 0 | 0 | 0 | 111 | K279 K291 F292 T293 T294 A295 L298 | K279-F281 PolarHBondContact O-N 2.87Å; F281-K291 CarbonylContact O-C 3.5Å; F281-K291 WeakPolarHBondContact O-CA 3.27Å; F281-F292 HydrophobicContact CB-CB 4.24Å; F281-F292 WeakPolarHBondContact CB-O 3.28Å; F281-F292 PolarHBondContact N-O 3.49Å; F281-F292 VanDerWaalsContact N-O 3.12Å; F281-F292 PolarHBondContact O-N 3.09Å; F281-T293 WeakPolarHBondContact CE2-O 3.3Å; F281-T294 VanDerWaalsContact CD2-CA 3.43Å; F281-A295 HydrophobicContact CD1-CB 3.93Å; F281-A295 HydrophobicContact CE1-CB 3.71Å; F281-A295 HydrophobicContact CG-CB 4.49Å; F281-A295 HydrophobicContact CZ-CB 4.08Å; F281-L298 HydrophobicContact CB-CB 4.12Å; F281-L298 HydrophobicContact CB-CD2 3.96Å |
| 282 | I | 92.6 | Very high | 90.4 | Very high | 79 Ų | 79 | 87.2 Ų | 87.2 | 41% | 0.405 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 135.2 | -175 | -50.2 | -179.4 | 0 | 0 | 0 | 110.4 | K284 K291 | I282-K284 PolarHBondContact O-N 2.92Å; I282-K291 HydrophobicContact CD1-CD 4.2Å; I282-K291 HydrophobicContact CD1-CG 4.42Å; I282-K291 HydrophobicContact CG1-CB 4.47Å; I282-K291 HydrophobicContact CG1-CD 4.21Å; I282-K291 HydrophobicContact CG1-CG 3.97Å; I282-K291 HydrophobicContact CG2-CG 4.31Å |
| 283 | C | 94.3 | Very high | 90.5 | Very high | 3 Ų | 3 | 85.9 Ų | 85.9 | 2% | 0.02 | 44% | 0.441 | C | S | . | . | trans | -73.9 | 115.6 | 170.2 | -168.9 | 0 | 0 | 0 | 0 | 110 | E285 C288 K290 F292 L298 | C283-E285 VanDerWaalsContact C-N 3.31Å; C283-C288 HydrophobicContact CB-CB 4.38Å; C283-K290 WeakPolarHBondContact CB-O 3.47Å; C283-K290 PolarHBondContact N-O 3.26Å; C283-F292 HydrophobicContact CB-CE2 4.41Å; C283-L298 HydrophobicContact CB-CD1 3.8Å | ||
| 284 | K | 91.4 | Very high | 90.4 | Very high | 202 Ų | 202 | 84.4 Ų | 84.4 | 88% | 0.878 | 44% | 0.439 | S | S | * | . | trans | -88.2 | 5.8 | -179.8 | -60.8 | -173.8 | 178.4 | -175.4 | 0 | 113.6 | I282 | I282-K284 PolarHBondContact O-N 2.92Š| ||
| 285 | E | 88.4 | Confident | 90.4 | Very high | 71 Ų | 71 | 83.4 Ų | 83.4 | 33% | 0.332 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -68.9 | 143.8 | 177.3 | -61.4 | -62.1 | 156.8 | 0 | 0 | 110.7 | C283 N287 C288 K302 H305 | C283-E285 VanDerWaalsContact C-N 3.31Å; E285-N287 PolarHBondContact O-N 2.98Å; E285-C288 HydrophobicContact CB-CB 4.26Å; E285-C288 PolarHBondContact O-N 3.21Å; E285-C288 VanDerWaalsContact O-N 3.12Å; E285-K302 WeakPolarHBondContact OE1-CE 3.35Å; E285-K302 IonicContact OE1-NZ 3.21Å; E285-K302 PolarHBondContact OE1-NZ 3.42Å; E285-H305 HydrophobicContact CG-CB 4.26Å |
| 286 | K | 84.2 | Confident | 90.4 | Very high | 189 Ų | 189 | 81.4 Ų | 81.4 | 82% | 0.822 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 129.9 | -177.5 | -167.7 | 177.4 | 179.2 | -177.7 | 0 | 109.8 | C288 | K286-C288 VanDerWaalsContact C-N 3.29Å; K286-C288 PolarHBondContact O-N 3.48Å |
| 287 | N | 83.8 | Confident | 90.5 | Very high | 160 Ų | 160 | 78.2 Ų | 78.2 | 86% | 0.856 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 14.4 | -179.2 | -53.5 | -7.8 | 0 | 0 | 0 | 116.3 | E285 | E285-N287 PolarHBondContact O-N 2.98Š|
| 288 | C | 90.6 | Very high | 90.7 | Very high | 25 Ų | 25 | 77.4 Ų | 77.4 | 17% | 0.169 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -62.2 | 176.8 | -171.8 | 0 | 0 | 0 | 0 | 113.8 | C283 E285 K286 K290 H301 H305 | C283-C288 HydrophobicContact CB-CB 4.38Å; E285-C288 HydrophobicContact CB-CB 4.26Å; E285-C288 PolarHBondContact O-N 3.21Å; E285-C288 VanDerWaalsContact O-N 3.12Å; K286-C288 VanDerWaalsContact C-N 3.29Å; K286-C288 PolarHBondContact O-N 3.48Å; C288-K290 PolarHBondContact O-N 3.2Å; C288-K290 VanDerWaalsContact SG-CG 3.59Å; C288-H301 PolarHBondContact SG-NE2 3.09Å; C288-H305 VanDerWaalsContact SG-CE1 3.54Å; C288-H305 PolarHBondContact SG-NE2 2.83Å |
| 289 | G | 88.1 | Confident | 90.7 | Very high | 49 Ų | 49 | 79.2 Ų | 79.2 | 51% | 0.505 | 41% | 0.411 | S | S | . | . | trans | 59.5 | 3.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 290 | K | 91.4 | Very high | 90.6 | Very high | 121 Ų | 121 | 76.9 Ų | 76.9 | 53% | 0.526 | 40% | 0.403 | S | S | . | . | trans | -67 | 136.2 | -174.4 | -70.8 | 177.9 | -174.8 | 176.3 | 0 | 111.5 | C283 C288 F292 | C283-K290 WeakPolarHBondContact CB-O 3.47Å; C283-K290 PolarHBondContact N-O 3.26Å; C288-K290 PolarHBondContact O-N 3.2Å; C288-K290 VanDerWaalsContact SG-CG 3.59Å; K290-F292 HydrophobicContact CB-CE2 3.74Å; K290-F292 HydrophobicContact CB-CZ 3.94Å; K290-F292 WeakPolarHBondContact O-CE2 3.38Å | ||
| 291 | K | 93.3 | Very high | 90.6 | Very high | 127 Ų | 127 | 74.1 Ų | 74.1 | 55% | 0.552 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 143.4 | -179.6 | -46.5 | -170.9 | -179.2 | 176.2 | 0 | 111.5 | K279 F281 I282 | K279-K291 HydrophobicContact CB-CB 3.51Å; K279-K291 HydrophobicContact CD-CB 4.14Å; K279-K291 HydrophobicContact CG-CB 4.43Å; F281-K291 CarbonylContact O-C 3.5Å; F281-K291 WeakPolarHBondContact O-CA 3.27Å; I282-K291 HydrophobicContact CD1-CD 4.2Å; I282-K291 HydrophobicContact CD1-CG 4.42Å; I282-K291 HydrophobicContact CG1-CB 4.47Å; I282-K291 HydrophobicContact CG1-CD 4.21Å; I282-K291 HydrophobicContact CG1-CG 3.97Å; I282-K291 HydrophobicContact CG2-CG 4.31Å |
| 292 | F | 92.2 | Very high | 90.6 | Very high | 41 Ų | 41 | 75.1 Ų | 75.1 | 18% | 0.18 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 151 | -175.4 | -61.1 | -88 | 0 | 0 | 0 | 111.5 | K279 F281 C283 K290 N297 L298 H301 | K279-F292 CarbonylContact C-O 3.52Å; K279-F292 VanDerWaalsContact C-O 3.3Å; K279-F292 VanDerWaalsContact CA-O 3.32Å; K279-F292 WeakPolarHBondContact CA-O 3.47Å; F281-F292 HydrophobicContact CB-CB 4.24Å; F281-F292 WeakPolarHBondContact CB-O 3.28Å; F281-F292 PolarHBondContact N-O 3.49Å; F281-F292 VanDerWaalsContact N-O 3.12Å; F281-F292 PolarHBondContact O-N 3.09Å; C283-F292 HydrophobicContact CB-CE2 4.41Å; K290-F292 HydrophobicContact CB-CE2 3.74Å; K290-F292 HydrophobicContact CB-CZ 3.94Å; K290-F292 WeakPolarHBondContact O-CE2 3.38Å; F292-N297 HydrophobicContact CB-CB 4.27Å; F292-N297 HydrophobicContact CD1-CB 3.94Å; F292-N297 HydrophobicContact CG-CB 4.41Å; F292-L298 HydrophobicContact CB-CB 4.26Å; F292-L298 HydrophobicContact CD2-CB 4.02Å; F292-L298 HydrophobicContact CD2-CD1 3.75Å; F292-L298 HydrophobicContact CD2-CG 4.49Å; F292-L298 HydrophobicContact CE2-CD1 4Å; F292-L298 HydrophobicContact CG-CB 4.25Å; F292-H301 HydrophobicContact CE1-CB 3.74Å; F292-H301 AromaticContact CE1-CG 3.99Å; F292-H301 HydrophobicContact CE2-CB 3.88Å; F292-H301 AromaticContact CE2-CD2 3.19Å; F292-H301 WeakPolarHBondContact CE2-CD2 3.24Å; F292-H301 AromaticContact CE2-CG 3.59Å; F292-H301 AromaticContact CE2-NE2 3.94Å; F292-H301 HydrophobicContact CZ-CB 3.34Å; F292-H301 AromaticContact CZ-CD2 3.23Å; F292-H301 WeakPolarHBondContact CZ-CD2 3.33Å; F292-H301 AromaticContact CZ-CG 3.12Å; F292-H301 AromaticContact CZ-ND1 3.8Å; F292-H301 AromaticContact CZ-NE2 3.91Å |
| 293 | T | 91.4 | Very high | 90.5 | Very high | 31 Ų | 31 | 72.7 Ų | 72.7 | 19% | 0.19 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -79.9 | -20.8 | 179 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | R273 K279 F281 | R273-T293 HydrophobicContact CB-CG2 4.37Å; R273-T293 PolarHBondContact NH1-O 3.46Å; K279-T293 HydrophobicContact CG-CG2 3.91Å; F281-T293 WeakPolarHBondContact CE2-O 3.3Å |
| 294 | T | 91.9 | Very high | 90.3 | Very high | 33 Ų | 33 | 77.1 Ų | 77.1 | 20% | 0.202 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -137.5 | 150.4 | -179.9 | 69 | 0 | 0 | 0 | 0 | 112.1 | V270 F281 G296 N297 L298 | V270-T294 HydrophobicContact CG1-CG2 3.7Å; F281-T294 VanDerWaalsContact CD2-CA 3.43Å; T294-G296 VanDerWaalsContact C-N 3.29Å; T294-G296 PolarHBondContact O-N 3.28Å; T294-N297 PolarHBondContact O-N 3.43Å; T294-N297 WeakPolarHBondContact OG1-CB 3.23Å; T294-N297 PolarHBondContact OG1-N 2.77Å; T294-N297 PolarHBondContact OG1-ND2 3.25Å; T294-N297 PolarHBondContact OG1-OD1 3.1Å; T294-L298 PolarHBondContact O-N 2.84Å; T294-L298 VanDerWaalsContact O-N 3.16Å |
| 295 | A | 91.3 | Very high | 90.2 | Very high | 53 Ų | 53 | 71.2 Ų | 71.2 | 44% | 0.438 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.2 | -35.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F281 L298 K299 | F281-A295 HydrophobicContact CD1-CB 3.93Å; F281-A295 HydrophobicContact CE1-CB 3.71Å; F281-A295 HydrophobicContact CG-CB 4.49Å; F281-A295 HydrophobicContact CZ-CB 4.08Å; A295-L298 PolarHBondContact O-N 2.63Å; A295-K299 PolarHBondContact O-N 3.39Å |
| 296 | G | 90.1 | Very high | 90.2 | Very high | 39 Ų | 39 | 71.5 Ų | 71.5 | 40% | 0.402 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T294 K299 N300 | T294-G296 VanDerWaalsContact C-N 3.29Å; T294-G296 PolarHBondContact O-N 3.28Å; G296-K299 PolarHBondContact O-N 2.96Å; G296-N300 PolarHBondContact O-N 3.46Å |
| 297 | N | 90.9 | Very high | 90.5 | Very high | 39 Ų | 39 | 64.9 Ų | 64.9 | 21% | 0.209 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 176.5 | -68.9 | 0.4 | 0 | 0 | 0 | 111.3 | F292 T294 N300 H301 | F292-N297 HydrophobicContact CB-CB 4.27Å; F292-N297 HydrophobicContact CD1-CB 3.94Å; F292-N297 HydrophobicContact CG-CB 4.41Å; T294-N297 PolarHBondContact O-N 3.43Å; T294-N297 WeakPolarHBondContact OG1-CB 3.23Å; T294-N297 PolarHBondContact OG1-N 2.77Å; T294-N297 PolarHBondContact OG1-ND2 3.25Å; T294-N297 PolarHBondContact OG1-OD1 3.1Å; N297-N300 PolarHBondContact O-N 3.02Å; N297-H301 WeakPolarHBondContact O-CB 3.44Å; N297-H301 PolarHBondContact O-N 3.45Å |
| 298 | L | 92.6 | Very high | 90.8 | Very high | 30 Ų | 30 | 62.5 Ų | 62.5 | 16% | 0.157 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 172.2 | 174.1 | 61.7 | 0 | 0 | 0 | 111 | F281 C283 F292 T294 A295 N300 H301 K302 | F281-L298 HydrophobicContact CB-CB 4.12Å; F281-L298 HydrophobicContact CB-CD2 3.96Å; C283-L298 HydrophobicContact CB-CD1 3.8Å; F292-L298 HydrophobicContact CB-CB 4.26Å; F292-L298 HydrophobicContact CD2-CB 4.02Å; F292-L298 HydrophobicContact CD2-CD1 3.75Å; F292-L298 HydrophobicContact CD2-CG 4.49Å; F292-L298 HydrophobicContact CE2-CD1 4Å; F292-L298 HydrophobicContact CG-CB 4.25Å; T294-L298 PolarHBondContact O-N 2.84Å; T294-L298 VanDerWaalsContact O-N 3.16Å; A295-L298 PolarHBondContact O-N 2.63Å; L298-N300 PolarHBondContact O-N 3.5Å; L298-H301 CarbonylContact O-C 3.22Å; L298-H301 WeakPolarHBondContact O-CB 3.32Å; L298-H301 PolarHBondContact O-N 2.98Å; L298-H301 VanDerWaalsContact O-N 3.15Å; L298-K302 HydrophobicContact CD1-CG 4.23Å; L298-K302 HydrophobicContact CG-CG 4.48Å; L298-K302 WeakPolarHBondContact O-CG 3.32Å; L298-K302 PolarHBondContact O-N 3.05Å |
| 299 | K | 91.1 | Very high | 90.9 | Very high | 125 Ų | 125 | 66.9 Ų | 66.9 | 54% | 0.543 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 178.2 | -175.9 | 177.8 | -178.5 | 178 | 0 | 111.9 | A295 G296 H301 K302 | A295-K299 PolarHBondContact O-N 3.39Å; G296-K299 PolarHBondContact O-N 2.96Å; K299-H301 VanDerWaalsContact C-N 3.32Å; K299-H301 PolarHBondContact O-N 3.18Å; K299-K302 PolarHBondContact O-N 3.34Å |
| 300 | N | 89.8 | Confident | 91 | Very high | 55 Ų | 55 | 67.9 Ų | 67.9 | 29% | 0.294 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 176.1 | -69.9 | -10.5 | 0 | 0 | 0 | 111.3 | G296 N297 L298 R303 | G296-N300 PolarHBondContact O-N 3.46Å; N297-N300 PolarHBondContact O-N 3.02Å; L298-N300 PolarHBondContact O-N 3.5Å; N300-R303 WeakPolarHBondContact O-CB 3.48Å; N300-R303 PolarHBondContact O-N 3.36Å; N300-R303 PolarHBondContact OD1-NH1 3.4Å |
| 301 | H | 91.4 | Very high | 91.1 | Very high | 18 Ų | 18 | 64.8 Ų | 64.8 | 8% | 0.083 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 175.6 | 169.1 | 58 | 0 | 0 | 0 | 112.8 | C288 F292 N297 L298 K299 R303 T304 H305 | C288-H301 PolarHBondContact SG-NE2 3.09Å; F292-H301 HydrophobicContact CE1-CB 3.74Å; F292-H301 AromaticContact CE1-CG 3.99Å; F292-H301 HydrophobicContact CE2-CB 3.88Å; F292-H301 AromaticContact CE2-CD2 3.19Å; F292-H301 WeakPolarHBondContact CE2-CD2 3.24Å; F292-H301 AromaticContact CE2-CG 3.59Å; F292-H301 AromaticContact CE2-NE2 3.94Å; F292-H301 HydrophobicContact CZ-CB 3.34Å; F292-H301 AromaticContact CZ-CD2 3.23Å; F292-H301 WeakPolarHBondContact CZ-CD2 3.33Å; F292-H301 AromaticContact CZ-CG 3.12Å; F292-H301 AromaticContact CZ-ND1 3.8Å; F292-H301 AromaticContact CZ-NE2 3.91Å; N297-H301 WeakPolarHBondContact O-CB 3.44Å; N297-H301 PolarHBondContact O-N 3.45Å; L298-H301 CarbonylContact O-C 3.22Å; L298-H301 WeakPolarHBondContact O-CB 3.32Å; L298-H301 PolarHBondContact O-N 2.98Å; L298-H301 VanDerWaalsContact O-N 3.15Å; K299-H301 VanDerWaalsContact C-N 3.32Å; K299-H301 PolarHBondContact O-N 3.18Å; H301-R303 PolarHBondContact O-N 3.29Å; H301-T304 PolarHBondContact CE1-OG1 3.36Å; H301-T304 PolarHBondContact ND1-OG1 3.5Å; H301-T304 WeakPolarHBondContact O-CB 3.26Å; H301-T304 PolarHBondContact O-N 3.09Å; H301-T304 PolarHBondContact O-OG1 3.42Å; H301-H305 AromaticContact CE1-NE2 3.42Å; H301-H305 PolarHBondContact CE1-NE2 3.43Å; H301-H305 AromaticContact NE2-CD2 3.95Å; H301-H305 AromaticContact NE2-NE2 3.18Å; H301-H305 PolarHBondContact NE2-NE2 3.32Å; H301-H305 VanDerWaalsContact NE2-NE2 3.18Å |
| 302 | K | 90.8 | Very high | 91.1 | Very high | 88 Ų | 88 | 63.8 Ų | 63.8 | 38% | 0.383 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -55.6 | -29.9 | 178 | -71 | -161.7 | 76.6 | -177.8 | 0 | 112.7 | E285 L298 K299 T304 H305 T306 | E285-K302 WeakPolarHBondContact OE1-CE 3.35Å; E285-K302 IonicContact OE1-NZ 3.21Å; E285-K302 PolarHBondContact OE1-NZ 3.42Å; L298-K302 HydrophobicContact CD1-CG 4.23Å; L298-K302 HydrophobicContact CG-CG 4.48Å; L298-K302 WeakPolarHBondContact O-CG 3.32Å; L298-K302 PolarHBondContact O-N 3.05Å; K299-K302 PolarHBondContact O-N 3.34Å; K302-T304 PolarHBondContact O-N 3.27Å; K302-H305 WeakPolarHBondContact O-CB 3.48Å; K302-H305 PolarHBondContact O-N 2.87Å; K302-T306 PolarHBondContact O-N 3.27Å |
| 303 | R | 91.9 | Very high | 91.2 | Very high | 28 Ų | 28 | 62.1 Ų | 62.1 | 11% | 0.106 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.2 | -20.5 | 174.9 | -59.1 | -168.6 | -175.3 | 102 | 2.9 | 114 | N300 H301 H305 G307 E308 A323 | N300-R303 WeakPolarHBondContact O-CB 3.48Å; N300-R303 PolarHBondContact O-N 3.36Å; N300-R303 PolarHBondContact OD1-NH1 3.4Å; H301-R303 PolarHBondContact O-N 3.29Å; R303-H305 PolarHBondContact O-N 3.41Å; R303-G307 WeakPolarHBondContact O-CA 3.25Å; R303-G307 PolarHBondContact O-N 3.42Å; R303-E308 HydrophobicContact CB-CB 4.36Å; R303-E308 HydrophobicContact CG-CB 4.19Å; R303-A323 HydrophobicContact CB-CB 4.16Å; R303-A323 VanDerWaalsContact CD-O 3.28Å; R303-A323 WeakPolarHBondContact CD-O 3.44Å; R303-A323 PolarHBondContact NH1-O 2.93Å |
| 304 | T | 90.1 | Very high | 91.3 | Very high | 95 Ų | 95 | 69.2 Ų | 69.2 | 58% | 0.583 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -72.5 | -20.6 | 173.2 | 69.6 | 0 | 0 | 0 | 0 | 112.7 | H301 K302 | H301-T304 PolarHBondContact CE1-OG1 3.36Å; H301-T304 PolarHBondContact ND1-OG1 3.5Å; H301-T304 WeakPolarHBondContact O-CB 3.26Å; H301-T304 PolarHBondContact O-N 3.09Å; H301-T304 PolarHBondContact O-OG1 3.42Å; K302-T304 PolarHBondContact O-N 3.27Å |
| 305 | H | 89.6 | Confident | 91.2 | Very high | 78 Ų | 78 | 68.8 Ų | 68.8 | 36% | 0.361 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -87.8 | -43.8 | 174.7 | -62.3 | -61.4 | 0 | 0 | 0 | 111.5 | E285 C288 H301 K302 R303 | E285-H305 HydrophobicContact CG-CB 4.26Å; C288-H305 VanDerWaalsContact SG-CE1 3.54Å; C288-H305 PolarHBondContact SG-NE2 2.83Å; H301-H305 AromaticContact CE1-NE2 3.42Å; H301-H305 PolarHBondContact CE1-NE2 3.43Å; H301-H305 AromaticContact NE2-CD2 3.95Å; H301-H305 AromaticContact NE2-NE2 3.18Å; H301-H305 PolarHBondContact NE2-NE2 3.32Å; H301-H305 VanDerWaalsContact NE2-NE2 3.18Å; K302-H305 WeakPolarHBondContact O-CB 3.48Å; K302-H305 PolarHBondContact O-N 2.87Å; R303-H305 PolarHBondContact O-N 3.41Å |
| 306 | T | 88.4 | Confident | 91.2 | Very high | 77 Ų | 77 | 74.4 Ų | 74.4 | 47% | 0.472 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -81 | -17.4 | -177.9 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | K302 E308 | K302-T306 PolarHBondContact O-N 3.27Å; T306-E308 PolarHBondContact O-N 3.15Å; T306-E308 WeakPolarHBondContact OG1-CG 3.42Å; T306-E308 PolarHBondContact OG1-N 3.33Å |
| 307 | G | 89.2 | Confident | 91 | Very high | 51 Ų | 51 | 76.9 Ų | 76.9 | 53% | 0.526 | 43% | 0.425 | S | S | . | . | trans | 72 | 8.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.7 | R303 K309 | R303-G307 WeakPolarHBondContact O-CA 3.25Å; R303-G307 PolarHBondContact O-N 3.42Å; G307-K309 PolarHBondContact O-N 3.16Å | ||
| 308 | E | 91.4 | Very high | 91.1 | Very high | 109 Ų | 109 | 76.5 Ų | 76.5 | 51% | 0.509 | 43% | 0.425 | S | S | . | . | trans | -60.2 | 127.2 | 179.6 | -79 | 173.3 | -153.4 | 0 | 0 | 111.9 | R303 T306 P310 A323 | R303-E308 HydrophobicContact CB-CB 4.36Å; R303-E308 HydrophobicContact CG-CB 4.19Å; T306-E308 PolarHBondContact O-N 3.15Å; T306-E308 WeakPolarHBondContact OG1-CG 3.42Å; T306-E308 PolarHBondContact OG1-N 3.33Å; E308-P310 WeakPolarHBondContact O-CD 3.1Å; E308-A323 WeakPolarHBondContact O-CB 3.5Å | ||
| 309 | K | 91.3 | Very high | 90.9 | Very high | 118 Ų | 118 | 78.1 Ų | 78.1 | 51% | 0.513 | 45% | 0.449 | S | S | . | . | trans | -126.7 | 75 | 178.1 | -69.2 | 173.5 | 174.8 | -170.2 | 0 | 110.5 | G307 F311 S321 F322 A323 | G307-K309 PolarHBondContact O-N 3.16Å; K309-F311 PolarHBondContact O-N 2.89Å; K309-S321 WeakPolarHBondContact CB-OG 3.37Å; K309-S321 WeakPolarHBondContact CD-O 3.37Å; K309-S321 VanDerWaalsContact CD-OG 3.28Å; K309-S321 WeakPolarHBondContact CD-OG 3.28Å; K309-F322 CarbonylContact C-O 3.21Å; K309-F322 VanDerWaalsContact C-O 3.28Å; K309-F322 VanDerWaalsContact CA-O 3.27Å; K309-F322 WeakPolarHBondContact CA-O 3.47Å; K309-A323 HydrophobicContact CG-CB 4.46Å | ||
| 310 | P | 90.9 | Very high | 90.9 | Very high | 69 Ų | 69 | 79.4 Ų | 79.4 | 45% | 0.448 | 45% | 0.45 | S | S | . | . | trans | -72.7 | -12.9 | -172.8 | 28.9 | -34.3 | 0 | 0 | 0 | 113.6 | E308 | E308-P310 WeakPolarHBondContact O-CD 3.1Š| ||
| 311 | F | 92.9 | Very high | 91 | Very high | 57 Ų | 57 | 78.7 Ų | 78.7 | 25% | 0.25 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 105.3 | -175.7 | -54.6 | -70.9 | 0 | 0 | 0 | 110.1 | K309 S321 F322 Y325 L328 | K309-F311 PolarHBondContact O-N 2.89Å; F311-S321 CarbonylContact O-C 3.45Å; F311-S321 WeakPolarHBondContact O-CA 3.41Å; F311-F322 HydrophobicContact CB-CB 4.36Å; F311-F322 WeakPolarHBondContact CD2-O 3.31Å; F311-F322 PolarHBondContact N-O 3.24Å; F311-F322 VanDerWaalsContact N-O 3.13Å; F311-F322 PolarHBondContact O-N 3.2Å; F311-Y325 HydrophobicContact CD1-CD2 4.01Å; F311-Y325 VanDerWaalsContact CD2-N 3.3Å; F311-Y325 HydrophobicContact CE1-CD2 4.27Å; F311-Y325 VanDerWaalsContact CE2-N 3.34Å; F311-L328 HydrophobicContact CB-CB 4.24Å; F311-L328 HydrophobicContact CB-CD2 3.96Å |
| 312 | L | 94.2 | Very high | 91.1 | Very high | 105 Ų | 105 | 79.8 Ų | 79.8 | 55% | 0.55 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 144.2 | -179.1 | -68.6 | 149.8 | 0 | 0 | 0 | 110.5 | L328 | L312-L328 WeakPolarHBondContact O-CD2 3.35Å |
| 313 | C | 94.9 | Very high | 91.1 | Very high | 7 Ų | 7 | 77.2 Ų | 77.2 | 5% | 0.047 | 45% | 0.449 | C | S | . | . | trans | -82 | 112.8 | 167.1 | -172.3 | 0 | 0 | 0 | 0 | 108.4 | A315 C318 R320 F322 L328 M332 H335 | C313-A315 PolarHBondContact O-N 3.31Å; C313-C318 HydrophobicContact CB-CB 4.36Å; C313-R320 HydrophobicContact CB-CB 4.36Å; C313-R320 WeakPolarHBondContact CB-O 3.5Å; C313-R320 PolarHBondContact N-O 3.06Å; C313-F322 HydrophobicContact CB-CE2 4.4Å; C313-L328 HydrophobicContact CB-CD1 3.94Å; C313-M332 VanDerWaalsContact SG-SD 3.65Å; C313-H335 PolarHBondContact SG-NE2 2.81Å; C313-H335 VanDerWaalsContact SG-NE2 3.4Å | ||
| 314 | E | 92.4 | Very high | 91 | Very high | 180 Ų | 180 | 78 Ų | 78 | 84% | 0.841 | 45% | 0.454 | S | S | * | . | trans | -85.5 | 5.1 | 179 | -63.8 | 175.4 | -179.1 | 0 | 0 | 112.4 | ||||
| 315 | A | 90.6 | Very high | 91 | Very high | 23 Ų | 23 | 78.3 Ų | 78.3 | 19% | 0.19 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -68.3 | 135.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | C313 G317 C318 M332 | C313-A315 PolarHBondContact O-N 3.31Å; A315-G317 PolarHBondContact O-N 2.79Å; A315-C318 HydrophobicContact CB-CB 4.28Å; A315-C318 WeakPolarHBondContact O-CB 3.41Å; A315-C318 PolarHBondContact O-N 2.85Å; A315-M332 HydrophobicContact CB-CE 4.5Å |
| 316 | D | 90.5 | Very high | 91.1 | Very high | 171 Ų | 171 | 75.8 Ų | 75.8 | 91% | 0.914 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 127 | -177 | -74.8 | -31.1 | 0 | 0 | 0 | 112 | C318 | D316-C318 VanDerWaalsContact C-N 3.29Å; D316-C318 PolarHBondContact O-N 3.49Å |
| 317 | G | 86.6 | Confident | 91.3 | Very high | 92 Ų | 92 | 74.2 Ų | 74.2 | 95% | 0.948 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 2.8 | 179 | 0 | 0 | 0 | 0 | 0 | 116 | A315 | A315-G317 PolarHBondContact O-N 2.79Š|
| 318 | C | 92.6 | Very high | 91.5 | Very high | 31 Ų | 31 | 72.8 Ų | 72.8 | 21% | 0.209 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -54.1 | -179.6 | -171.1 | 0 | 0 | 0 | 0 | 113.5 | C313 A315 D316 R320 H331 H335 | C313-C318 HydrophobicContact CB-CB 4.36Å; A315-C318 HydrophobicContact CB-CB 4.28Å; A315-C318 WeakPolarHBondContact O-CB 3.41Å; A315-C318 PolarHBondContact O-N 2.85Å; D316-C318 VanDerWaalsContact C-N 3.29Å; D316-C318 PolarHBondContact O-N 3.49Å; C318-R320 PolarHBondContact O-N 2.98Å; C318-H331 PolarHBondContact SG-NE2 2.89Å; C318-H335 PolarHBondContact SG-NE2 3.22Å |
| 319 | G | 87.6 | Confident | 91.5 | Very high | 63 Ų | 63 | 75.3 Ų | 75.3 | 65% | 0.649 | 41% | 0.414 | S | S | * | . | trans | 59.1 | 8.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 320 | R | 91.6 | Very high | 91.5 | Very high | 152 Ų | 152 | 74.3 Ų | 74.3 | 57% | 0.574 | 41% | 0.409 | S | S | * | . | trans | -74.4 | 140.5 | -176.3 | -73.5 | -178 | 176.3 | -171.9 | 0.1 | 111.5 | C313 C318 F322 | C313-R320 HydrophobicContact CB-CB 4.36Å; C313-R320 WeakPolarHBondContact CB-O 3.5Å; C313-R320 PolarHBondContact N-O 3.06Å; C318-R320 PolarHBondContact O-N 2.98Å; R320-F322 HydrophobicContact CB-CE2 3.91Å; R320-F322 HydrophobicContact CB-CZ 4.08Å | ||
| 321 | S | 93 | Very high | 91.6 | Very high | 41 Ų | 41 | 71.8 Ų | 71.8 | 29% | 0.287 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 148 | 176.7 | 64.4 | 0 | 0 | 0 | 0 | 112.5 | K309 F311 | K309-S321 WeakPolarHBondContact CB-OG 3.37Å; K309-S321 WeakPolarHBondContact CD-O 3.37Å; K309-S321 VanDerWaalsContact CD-OG 3.28Å; K309-S321 WeakPolarHBondContact CD-OG 3.28Å; F311-S321 CarbonylContact O-C 3.45Å; F311-S321 WeakPolarHBondContact O-CA 3.41Å |
| 322 | F | 91.8 | Very high | 91.5 | Very high | 41 Ų | 41 | 72.8 Ų | 72.8 | 18% | 0.18 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 145.3 | -175 | -59.4 | -88.2 | 0 | 0 | 0 | 111.4 | K309 F311 C313 R320 E324 L328 H331 | K309-F322 CarbonylContact C-O 3.21Å; K309-F322 VanDerWaalsContact C-O 3.28Å; K309-F322 VanDerWaalsContact CA-O 3.27Å; K309-F322 WeakPolarHBondContact CA-O 3.47Å; F311-F322 HydrophobicContact CB-CB 4.36Å; F311-F322 WeakPolarHBondContact CD2-O 3.31Å; F311-F322 PolarHBondContact N-O 3.24Å; F311-F322 VanDerWaalsContact N-O 3.13Å; F311-F322 PolarHBondContact O-N 3.2Å; C313-F322 HydrophobicContact CB-CE2 4.4Å; R320-F322 HydrophobicContact CB-CE2 3.91Å; R320-F322 HydrophobicContact CB-CZ 4.08Å; F322-E324 VanDerWaalsContact C-N 3.34Å; F322-L328 HydrophobicContact CB-CB 4.34Å; F322-L328 HydrophobicContact CD2-CB 3.93Å; F322-L328 HydrophobicContact CD2-CD1 3.77Å; F322-L328 HydrophobicContact CD2-CG 4.45Å; F322-L328 HydrophobicContact CE2-CD1 3.91Å; F322-L328 HydrophobicContact CG-CB 4.26Å; F322-H331 HydrophobicContact CE1-CB 3.94Å; F322-H331 HydrophobicContact CE2-CB 3.95Å; F322-H331 AromaticContact CE2-CD2 3.35Å; F322-H331 WeakPolarHBondContact CE2-CD2 3.42Å; F322-H331 AromaticContact CE2-CG 3.74Å; F322-H331 HydrophobicContact CZ-CB 3.44Å; F322-H331 VanDerWaalsContact CZ-CB 3.44Å; F322-H331 AromaticContact CZ-CD2 3.32Å; F322-H331 WeakPolarHBondContact CZ-CD2 3.49Å; F322-H331 AromaticContact CZ-CG 3.24Å; F322-H331 AromaticContact CZ-ND1 3.9Å; F322-H331 AromaticContact CZ-NE2 3.96Å |
| 323 | A | 90.9 | Very high | 91.4 | Very high | 33 Ų | 33 | 69.3 Ų | 69.3 | 27% | 0.273 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -77.9 | -20.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R303 E308 K309 | R303-A323 HydrophobicContact CB-CB 4.16Å; R303-A323 VanDerWaalsContact CD-O 3.28Å; R303-A323 WeakPolarHBondContact CD-O 3.44Å; R303-A323 PolarHBondContact NH1-O 2.93Å; E308-A323 WeakPolarHBondContact O-CB 3.5Å; K309-A323 HydrophobicContact CG-CB 4.46Å |
| 324 | E | 91 | Very high | 91.2 | Very high | 44 Ų | 44 | 73.6 Ų | 73.6 | 21% | 0.206 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -132.9 | 138.7 | -178.6 | -164.4 | -167.8 | 156.2 | 0 | 0 | 111.1 | F322 S326 S327 L328 N407 | F322-E324 VanDerWaalsContact C-N 3.34Å; E324-S326 VanDerWaalsContact C-N 3.31Å; E324-S326 PolarHBondContact O-N 3.08Å; E324-S326 WeakPolarHBondContact OE1-CB 3.36Å; E324-S326 PolarHBondContact OE1-OG 2.82Å; E324-S326 PolarHBondContact OE2-OG 3.16Å; E324-S327 WeakPolarHBondContact O-CB 3.26Å; E324-S327 PolarHBondContact O-N 2.73Å; E324-S327 VanDerWaalsContact O-N 3.13Å; E324-L328 PolarHBondContact O-N 3.08Å; E324-N407 PolarHBondContact OE1-ND2 3.03Å |
| 325 | Y | 90.7 | Very high | 91 | Very high | 103 Ų | 103 | 69.1 Ų | 69.1 | 40% | 0.404 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.1 | -36.8 | 178.3 | -177.9 | -108.3 | 0 | 0 | 0 | 113.1 | F311 S327 L328 R329 | F311-Y325 HydrophobicContact CD1-CD2 4.01Å; F311-Y325 VanDerWaalsContact CD2-N 3.3Å; F311-Y325 HydrophobicContact CE1-CD2 4.27Å; F311-Y325 VanDerWaalsContact CE2-N 3.34Å; Y325-S327 PolarHBondContact O-N 3.38Å; Y325-L328 HydrophobicContact CD2-CD2 4.49Å; Y325-L328 WeakPolarHBondContact O-CB 3.42Å; Y325-L328 PolarHBondContact O-N 3.14Å; Y325-R329 HydrophobicContact CD1-CG 4.21Å; Y325-R329 HydrophobicContact CE1-CG 3.75Å; Y325-R329 HydrophobicContact CE2-CG 4.46Å; Y325-R329 PolarHBondContact O-N 2.94Å |
| 326 | S | 89.8 | Confident | 90.9 | Very high | 25 Ų | 25 | 71 Ų | 71 | 18% | 0.175 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.7 | -31.7 | 177.6 | 78.1 | 0 | 0 | 0 | 0 | 112.1 | E324 R329 K330 N407 | E324-S326 VanDerWaalsContact C-N 3.31Å; E324-S326 PolarHBondContact O-N 3.08Å; E324-S326 WeakPolarHBondContact OE1-CB 3.36Å; E324-S326 PolarHBondContact OE1-OG 2.82Å; E324-S326 PolarHBondContact OE2-OG 3.16Å; S326-R329 PolarHBondContact O-N 3.23Å; S326-K330 VanDerWaalsContact O-CG 3.32Å; S326-K330 WeakPolarHBondContact O-CG 3.49Å; S326-K330 PolarHBondContact O-N 3.08Å; S326-N407 PolarHBondContact OG-ND2 3.31Å |
| 327 | S | 92.4 | Very high | 90.8 | Very high | 44 Ų | 44 | 65.4 Ų | 65.4 | 31% | 0.308 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.7 | -41.2 | 175.5 | -64.9 | 0 | 0 | 0 | 0 | 111.3 | E324 Y325 K330 H331 | E324-S327 WeakPolarHBondContact O-CB 3.26Å; E324-S327 PolarHBondContact O-N 2.73Å; E324-S327 VanDerWaalsContact O-N 3.13Å; Y325-S327 PolarHBondContact O-N 3.38Å; S327-K330 PolarHBondContact O-N 3.32Å; S327-H331 WeakPolarHBondContact O-CB 3.35Å; S327-H331 PolarHBondContact O-N 3.24Å |
| 328 | L | 93.8 | Very high | 91 | Very high | 21 Ų | 21 | 66.7 Ų | 66.7 | 11% | 0.11 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 171.2 | 174.3 | 62.4 | 0 | 0 | 0 | 110.9 | F311 L312 C313 F322 E324 Y325 K330 H331 M332 | F311-L328 HydrophobicContact CB-CB 4.24Å; F311-L328 HydrophobicContact CB-CD2 3.96Å; L312-L328 WeakPolarHBondContact O-CD2 3.35Å; C313-L328 HydrophobicContact CB-CD1 3.94Å; F322-L328 HydrophobicContact CB-CB 4.34Å; F322-L328 HydrophobicContact CD2-CB 3.93Å; F322-L328 HydrophobicContact CD2-CD1 3.77Å; F322-L328 HydrophobicContact CD2-CG 4.45Å; F322-L328 HydrophobicContact CE2-CD1 3.91Å; F322-L328 HydrophobicContact CG-CB 4.26Å; E324-L328 PolarHBondContact O-N 3.08Å; Y325-L328 HydrophobicContact CD2-CD2 4.49Å; Y325-L328 WeakPolarHBondContact O-CB 3.42Å; Y325-L328 PolarHBondContact O-N 3.14Å; L328-K330 PolarHBondContact O-N 2.84Å; L328-H331 CarbonylContact O-C 3.36Å; L328-H331 WeakPolarHBondContact O-CA 3.32Å; L328-H331 WeakPolarHBondContact O-CB 3.36Å; L328-H331 PolarHBondContact O-N 3.23Å; L328-M332 HydrophobicContact CD1-CG 4.42Å; L328-M332 HydrophobicContact CD1-SD 4.23Å; L328-M332 WeakPolarHBondContact O-CG 3.49Å; L328-M332 PolarHBondContact O-N 3.18Å |
| 329 | R | 91.9 | Very high | 90.9 | Very high | 161 Ų | 161 | 70.8 Ų | 70.8 | 61% | 0.608 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -58.6 | -43.5 | 178.1 | -71.4 | -157.3 | 76.1 | 167.9 | 5.2 | 113.1 | Y325 S326 H331 M332 | Y325-R329 HydrophobicContact CD1-CG 4.21Å; Y325-R329 HydrophobicContact CE1-CG 3.75Å; Y325-R329 HydrophobicContact CE2-CG 4.46Å; Y325-R329 PolarHBondContact O-N 2.94Å; S326-R329 PolarHBondContact O-N 3.23Å; R329-H331 VanDerWaalsContact C-N 3.29Å; R329-H331 PolarHBondContact O-N 2.87Å; R329-M332 PolarHBondContact O-N 3.46Å |
| 330 | K | 91.3 | Very high | 91.1 | Very high | 98 Ų | 98 | 71.7 Ų | 71.7 | 43% | 0.426 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 175 | -71.3 | 169.6 | -172.9 | 170.3 | 0 | 111.8 | S326 S327 L328 L333 | S326-K330 VanDerWaalsContact O-CG 3.32Å; S326-K330 WeakPolarHBondContact O-CG 3.49Å; S326-K330 PolarHBondContact O-N 3.08Å; S327-K330 PolarHBondContact O-N 3.32Å; L328-K330 PolarHBondContact O-N 2.84Å; K330-L333 WeakPolarHBondContact O-CB 3.19Å; K330-L333 PolarHBondContact O-N 3.07Å |
| 331 | H | 92.3 | Very high | 91.1 | Very high | 16 Ų | 16 | 66.8 Ų | 66.8 | 7% | 0.074 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.6 | -36.7 | 176.1 | 172.6 | 58.7 | 0 | 0 | 0 | 112.3 | C318 F322 S327 L328 R329 L333 V334 H335 | C318-H331 PolarHBondContact SG-NE2 2.89Å; F322-H331 HydrophobicContact CE1-CB 3.94Å; F322-H331 HydrophobicContact CE2-CB 3.95Å; F322-H331 AromaticContact CE2-CD2 3.35Å; F322-H331 WeakPolarHBondContact CE2-CD2 3.42Å; F322-H331 AromaticContact CE2-CG 3.74Å; F322-H331 HydrophobicContact CZ-CB 3.44Å; F322-H331 VanDerWaalsContact CZ-CB 3.44Å; F322-H331 AromaticContact CZ-CD2 3.32Å; F322-H331 WeakPolarHBondContact CZ-CD2 3.49Å; F322-H331 AromaticContact CZ-CG 3.24Å; F322-H331 AromaticContact CZ-ND1 3.9Å; F322-H331 AromaticContact CZ-NE2 3.96Å; S327-H331 WeakPolarHBondContact O-CB 3.35Å; S327-H331 PolarHBondContact O-N 3.24Å; L328-H331 CarbonylContact O-C 3.36Å; L328-H331 WeakPolarHBondContact O-CA 3.32Å; L328-H331 WeakPolarHBondContact O-CB 3.36Å; L328-H331 PolarHBondContact O-N 3.23Å; R329-H331 VanDerWaalsContact C-N 3.29Å; R329-H331 PolarHBondContact O-N 2.87Å; H331-L333 PolarHBondContact O-N 2.74Å; H331-L333 VanDerWaalsContact O-N 3.15Å; H331-V334 WeakPolarHBondContact O-CB 3.4Å; H331-V334 WeakPolarHBondContact O-CG2 3.38Å; H331-V334 PolarHBondContact O-N 3.12Å; H331-H335 AromaticContact CE1-NE2 3.65Å; H331-H335 AromaticContact NE2-CD2 3.95Å; H331-H335 AromaticContact NE2-NE2 3.24Å; H331-H335 PolarHBondContact NE2-NE2 3.12Å |
| 332 | M | 91.8 | Very high | 91.1 | Very high | 77 Ų | 77 | 70.4 Ų | 70.4 | 38% | 0.379 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.4 | -27.8 | 177.1 | -66.9 | -52.6 | -70.1 | 0 | 0 | 113.3 | C313 A315 L328 R329 V334 H335 S336 | C313-M332 VanDerWaalsContact SG-SD 3.65Å; A315-M332 HydrophobicContact CB-CE 4.5Å; L328-M332 HydrophobicContact CD1-CG 4.42Å; L328-M332 HydrophobicContact CD1-SD 4.23Å; L328-M332 WeakPolarHBondContact O-CG 3.49Å; L328-M332 PolarHBondContact O-N 3.18Å; R329-M332 PolarHBondContact O-N 3.46Å; M332-V334 PolarHBondContact O-N 2.72Å; M332-H335 PolarHBondContact O-N 3.38Å; M332-S336 PolarHBondContact O-N 3.33Å; M332-S336 VanDerWaalsContact O-N 3.08Å |
| 333 | L | 92.1 | Very high | 91.2 | Very high | 33 Ų | 33 | 68.4 Ų | 68.4 | 17% | 0.173 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.7 | -21.5 | 173.7 | -60.2 | 173.8 | 0 | 0 | 0 | 113.2 | K330 H331 S336 G337 E338 P340 S351 | K330-L333 WeakPolarHBondContact O-CB 3.19Å; K330-L333 PolarHBondContact O-N 3.07Å; H331-L333 PolarHBondContact O-N 2.74Å; H331-L333 VanDerWaalsContact O-N 3.15Å; L333-S336 WeakPolarHBondContact CA-OG 3.23Å; L333-G337 WeakPolarHBondContact O-CA 3.44Å; L333-G337 PolarHBondContact O-N 3.21Å; L333-E338 HydrophobicContact CD2-CB 4.01Å; L333-E338 PolarHBondContact O-N 2.84Å; L333-P340 HydrophobicContact CD1-CG 4.27Å; L333-S351 VanDerWaalsContact CD1-O 3.3Å; L333-S351 WeakPolarHBondContact CD1-O 3.4Å |
| 334 | V | 89.6 | Confident | 91.2 | Very high | 97 Ų | 97 | 70.7 Ų | 70.7 | 59% | 0.588 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -71.1 | -36.6 | 173.9 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | H331 M332 | H331-V334 WeakPolarHBondContact O-CB 3.4Å; H331-V334 WeakPolarHBondContact O-CG2 3.38Å; H331-V334 PolarHBondContact O-N 3.12Å; M332-V334 PolarHBondContact O-N 2.72Å |
| 335 | H | 89.3 | Confident | 91.2 | Very high | 86 Ų | 86 | 72.7 Ų | 72.7 | 40% | 0.398 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -75.5 | -41.2 | 177.7 | -65.9 | -60.4 | 0 | 0 | 0 | 111.9 | C313 C318 H331 M332 G337 | C313-H335 PolarHBondContact SG-NE2 2.81Å; C313-H335 VanDerWaalsContact SG-NE2 3.4Å; C318-H335 PolarHBondContact SG-NE2 3.22Å; H331-H335 AromaticContact CE1-NE2 3.65Å; H331-H335 AromaticContact NE2-CD2 3.95Å; H331-H335 AromaticContact NE2-NE2 3.24Å; H331-H335 PolarHBondContact NE2-NE2 3.12Å; M332-H335 PolarHBondContact O-N 3.38Å; H335-G337 VanDerWaalsContact C-N 3.28Å; H335-G337 PolarHBondContact O-N 3Å |
| 336 | S | 88.5 | Confident | 91.3 | Very high | 62 Ų | 62 | 70.3 Ų | 70.3 | 43% | 0.434 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -74.9 | -18.7 | 176.9 | 65.4 | 0 | 0 | 0 | 0 | 113.2 | M332 L333 E338 | M332-S336 PolarHBondContact O-N 3.33Å; M332-S336 VanDerWaalsContact O-N 3.08Å; L333-S336 WeakPolarHBondContact CA-OG 3.23Å; S336-E338 PolarHBondContact O-N 3.14Å; S336-E338 WeakPolarHBondContact OG-CB 3.33Å; S336-E338 VanDerWaalsContact OG-CG 3.31Å; S336-E338 WeakPolarHBondContact OG-CG 3.44Å; S336-E338 PolarHBondContact OG-N 3.31Å; S336-E338 PolarHBondContact OG-OE2 3.23Å |
| 337 | G | 89.1 | Confident | 91.3 | Very high | 53 Ų | 53 | 70.7 Ų | 70.7 | 55% | 0.546 | 40% | 0.399 | S | S | . | . | trans | 68.2 | 5.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L333 H335 | L333-G337 WeakPolarHBondContact O-CA 3.44Å; L333-G337 PolarHBondContact O-N 3.21Å; H335-G337 VanDerWaalsContact C-N 3.28Å; H335-G337 PolarHBondContact O-N 3Å | ||
| 338 | E | 90.4 | Very high | 91.3 | Very high | 120 Ų | 120 | 73.7 Ų | 73.7 | 56% | 0.561 | 41% | 0.407 | S | S | * | . | trans | -66.3 | 136.5 | -178.6 | -72 | 173.2 | 164 | 0 | 0 | 111.2 | L333 S336 P340 | L333-E338 HydrophobicContact CD2-CB 4.01Å; L333-E338 PolarHBondContact O-N 2.84Å; S336-E338 PolarHBondContact O-N 3.14Å; S336-E338 WeakPolarHBondContact OG-CB 3.33Å; S336-E338 VanDerWaalsContact OG-CG 3.31Å; S336-E338 WeakPolarHBondContact OG-CG 3.44Å; S336-E338 PolarHBondContact OG-N 3.31Å; S336-E338 PolarHBondContact OG-OE2 3.23Å; E338-P340 WeakPolarHBondContact O-CD 3.34Å | ||
| 339 | K | 90.6 | Very high | 91.2 | Very high | 117 Ų | 117 | 75.8 Ų | 75.8 | 51% | 0.509 | 42% | 0.421 | S | S | . | . | trans | -125.5 | 73.5 | 179.1 | -67.5 | -179.4 | -177 | 176.5 | 0 | 110.1 | H341 F350 | K339-H341 PolarHBondContact O-N 3.33Å; K339-H341 VanDerWaalsContact O-N 3.08Å; K339-F350 CarbonylContact C-O 3.56Å; K339-F350 VanDerWaalsContact CA-O 3.32Å; K339-F350 WeakPolarHBondContact CA-O 3.47Å | ||
| 340 | P | 90.7 | Very high | 91.2 | Very high | 81 Ų | 81 | 70.1 Ų | 70.1 | 53% | 0.526 | 40% | 0.4 | S | S | . | . | trans | -68.2 | -11.6 | -170.7 | 27.2 | -35.2 | 0 | 0 | 0 | 113.7 | L333 E338 | L333-P340 HydrophobicContact CD1-CG 4.27Å; E338-P340 WeakPolarHBondContact O-CD 3.34Å | ||
| 341 | H | 91.8 | Very high | 91.1 | Very high | 49 Ų | 49 | 67.4 Ų | 67.4 | 23% | 0.227 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 98.8 | -174.4 | -59.7 | -59.8 | 0 | 0 | 0 | 111.4 | K339 T349 F350 S353 R356 | K339-H341 PolarHBondContact O-N 3.33Å; K339-H341 VanDerWaalsContact O-N 3.08Å; H341-T349 CarbonylContact O-C 3.59Å; H341-F350 HydrophobicContact CB-CB 4.31Å; H341-F350 WeakPolarHBondContact CB-O 3.4Å; H341-F350 PolarHBondContact N-O 2.96Å; H341-F350 WeakPolarHBondContact O-CD2 3.49Å; H341-F350 PolarHBondContact O-N 3.39Å; H341-S353 PolarHBondContact CD2-N 3.48Å; H341-S353 PolarHBondContact NE2-N 3.23Å; H341-R356 HydrophobicContact CB-CB 4.28Å; H341-R356 PolarHBondContact ND1-NH2 3.39Å |
| 342 | Q | 93.9 | Very high | 91.1 | Very high | 117 Ų | 117 | 71 Ų | 71 | 55% | 0.547 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 141.5 | 175.2 | -162.9 | 175.1 | 24.5 | 0 | 0 | 112.1 | G347 K348 T349 R356 | Q342-G347 VanDerWaalsContact CG-O 3.31Å; Q342-G347 WeakPolarHBondContact CG-O 3.39Å; Q342-G347 PolarHBondContact NE2-O 3.39Å; Q342-K348 CarbonylContact C-O 3.55Å; Q342-K348 WeakPolarHBondContact CA-O 3.48Å; Q342-T349 HydrophobicContact CB-CG2 4.22Å; Q342-T349 HydrophobicContact CG-CG2 3.97Å; Q342-R356 WeakPolarHBondContact O-CD 3.35Å |
| 343 | C | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 41% | 0.411 | C | S | . | . | trans | -71.5 | 122.3 | 163.7 | 171.1 | 0 | 0 | 0 | 0 | 108.9 | I345 C346 G347 K348 F350 M360 | C343-I345 PolarHBondContact O-N 3.32Å; C343-I345 PolarHBondContact SG-N 3.28Å; C343-C346 PolarHBondContact SG-N 3.25Å; C343-C346 PolarHBondContact SG-SG 2.84Å; C343-G347 VanDerWaalsContact O-CA 3.24Å; C343-G347 WeakPolarHBondContact O-CA 3.5Å; C343-G347 PolarHBondContact O-N 3.37Å; C343-K348 HydrophobicContact CB-CB 4.41Å; C343-K348 WeakPolarHBondContact CB-O 3.34Å; C343-K348 PolarHBondContact N-O 3.07Å; C343-F350 HydrophobicContact CB-CE2 4.25Å; C343-M360 HydrophobicContact CB-SD 4.15Å; C343-M360 PolarHBondContact SG-SD 3.02Å | ||
| 344 | G | 91.3 | Very high | 91 | Very high | 80 Ų | 80 | 70.1 Ų | 70.1 | 83% | 0.825 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -16 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 345 | I | 90.5 | Very high | 91.1 | Very high | 87 Ų | 87 | 68.1 Ų | 68.1 | 45% | 0.446 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -57.3 | -176.5 | -58.3 | 169.8 | 0 | 0 | 0 | 110.8 | C343 M360 H364 | C343-I345 PolarHBondContact O-N 3.32Å; C343-I345 PolarHBondContact SG-N 3.28Å; I345-M360 HydrophobicContact CD1-CE 3.58Å; I345-M360 HydrophobicContact CG1-CE 4.08Å; I345-H364 HydrophobicContact CD1-CB 3.45Å; I345-H364 VanDerWaalsContact CD1-CB 3.45Å; I345-H364 VanDerWaalsContact CG2-CE1 3.42Å; I345-H364 WeakPolarHBondContact CG2-CE1 3.41Å; I345-H364 WeakPolarHBondContact CG2-ND1 3.34Å |
| 346 | C | 92.5 | Very high | 91.3 | Very high | 52 Ų | 52 | 67 Ų | 67 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 5.6 | -177.2 | 72.9 | 0 | 0 | 0 | 0 | 114.8 | C343 K348 H359 | C343-C346 PolarHBondContact SG-N 3.25Å; C343-C346 PolarHBondContact SG-SG 2.84Å; C346-K348 PolarHBondContact O-N 2.95Å; C346-H359 PolarHBondContact SG-NE2 3.47Å |
| 347 | G | 90.1 | Very high | 91.5 | Very high | 34 Ų | 34 | 68 Ų | 68 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | trans | 69.7 | -0.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q342 C343 | Q342-G347 VanDerWaalsContact CG-O 3.31Å; Q342-G347 WeakPolarHBondContact CG-O 3.39Å; Q342-G347 PolarHBondContact NE2-O 3.39Å; C343-G347 VanDerWaalsContact O-CA 3.24Å; C343-G347 WeakPolarHBondContact O-CA 3.5Å; C343-G347 PolarHBondContact O-N 3.37Å | ||
| 348 | K | 91.4 | Very high | 91.7 | Very high | 106 Ų | 106 | 68.2 Ų | 68.2 | 46% | 0.461 | 40% | 0.395 | S | S | . | . | trans | -64.5 | 134.3 | 180 | -73.3 | 178.6 | -175.7 | 173 | 0 | 111.8 | Q342 C343 C346 F350 | Q342-K348 CarbonylContact C-O 3.55Å; Q342-K348 WeakPolarHBondContact CA-O 3.48Å; C343-K348 HydrophobicContact CB-CB 4.41Å; C343-K348 WeakPolarHBondContact CB-O 3.34Å; C343-K348 PolarHBondContact N-O 3.07Å; C346-K348 PolarHBondContact O-N 2.95Å; K348-F350 HydrophobicContact CB-CE2 3.86Å; K348-F350 HydrophobicContact CB-CZ 4.06Å; K348-F350 WeakPolarHBondContact O-CD2 3.4Å; K348-F350 VanDerWaalsContact O-CE2 3.31Å; K348-F350 WeakPolarHBondContact O-CE2 3.47Å | ||
| 349 | T | 93.1 | Very high | 91.7 | Very high | 66 Ų | 66 | 63.5 Ų | 63.5 | 41% | 0.405 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 144.4 | -178.3 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | H341 Q342 | H341-T349 CarbonylContact O-C 3.59Å; Q342-T349 HydrophobicContact CB-CG2 4.22Å; Q342-T349 HydrophobicContact CG-CG2 3.97Å |
| 350 | F | 90.9 | Very high | 91.8 | Very high | 41 Ų | 41 | 60.2 Ų | 60.2 | 18% | 0.18 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 146.9 | -176.9 | -58.8 | -90.8 | 0 | 0 | 0 | 110.4 | K339 H341 C343 K348 Q352 R356 H359 | K339-F350 CarbonylContact C-O 3.56Å; K339-F350 VanDerWaalsContact CA-O 3.32Å; K339-F350 WeakPolarHBondContact CA-O 3.47Å; H341-F350 HydrophobicContact CB-CB 4.31Å; H341-F350 WeakPolarHBondContact CB-O 3.4Å; H341-F350 PolarHBondContact N-O 2.96Å; H341-F350 WeakPolarHBondContact O-CD2 3.49Å; H341-F350 PolarHBondContact O-N 3.39Å; C343-F350 HydrophobicContact CB-CE2 4.25Å; K348-F350 HydrophobicContact CB-CE2 3.86Å; K348-F350 HydrophobicContact CB-CZ 4.06Å; K348-F350 WeakPolarHBondContact O-CD2 3.4Å; K348-F350 VanDerWaalsContact O-CE2 3.31Å; K348-F350 WeakPolarHBondContact O-CE2 3.47Å; F350-Q352 VanDerWaalsContact C-N 3.31Å; F350-R356 HydrophobicContact CB-CB 4.08Å; F350-R356 HydrophobicContact CD2-CB 3.57Å; F350-R356 HydrophobicContact CD2-CG 3.99Å; F350-R356 HydrophobicContact CE2-CB 4.25Å; F350-R356 HydrophobicContact CE2-CG 4.38Å; F350-R356 HydrophobicContact CG-CB 3.9Å; F350-H359 HydrophobicContact CE1-CB 3.9Å; F350-H359 HydrophobicContact CE2-CB 4.12Å; F350-H359 AromaticContact CE2-CD2 3.65Å; F350-H359 AromaticContact CE2-CG 3.87Å; F350-H359 HydrophobicContact CZ-CB 3.46Å; F350-H359 VanDerWaalsContact CZ-CB 3.46Å; F350-H359 AromaticContact CZ-CD2 3.56Å; F350-H359 AromaticContact CZ-CG 3.29Å; F350-H359 AromaticContact CZ-ND1 3.82Å |
| 351 | S | 89.7 | Confident | 91.9 | Very high | 42 Ų | 42 | 64 Ų | 64 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -75.8 | -19.8 | 174.9 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | L333 | L333-S351 VanDerWaalsContact CD1-O 3.3Å; L333-S351 WeakPolarHBondContact CD1-O 3.4Å |
| 352 | Q | 91.2 | Very high | 91.9 | Very high | 91 Ų | 91 | 69.2 Ų | 69.2 | 43% | 0.425 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -133.1 | 140.1 | -179.7 | -59.8 | -176.2 | 27.8 | 0 | 0 | 111.5 | F350 G354 S355 R356 | F350-Q352 VanDerWaalsContact C-N 3.31Å; Q352-G354 VanDerWaalsContact C-N 3.3Å; Q352-G354 PolarHBondContact O-N 3Å; Q352-S355 PolarHBondContact O-N 3.42Å; Q352-R356 PolarHBondContact O-N 3.42Å |
| 353 | S | 91.8 | Very high | 91.6 | Very high | 54 Ų | 54 | 71.5 Ų | 71.5 | 38% | 0.378 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 178.8 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | H341 S355 R356 N357 | H341-S353 PolarHBondContact CD2-N 3.48Å; H341-S353 PolarHBondContact NE2-N 3.23Å; S353-S355 PolarHBondContact O-N 3.13Å; S353-R356 WeakPolarHBondContact O-CB 3.42Å; S353-R356 PolarHBondContact O-N 3.2Å; S353-N357 PolarHBondContact O-N 3.03Å; S353-N357 PolarHBondContact O-OD1 3.43Å; S353-N357 VanDerWaalsContact O-OD1 3.12Å |
| 354 | G | 90.9 | Very high | 91.2 | Very high | 38 Ų | 38 | 72.5 Ų | 72.5 | 39% | 0.392 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q352 N357 V358 | Q352-G354 VanDerWaalsContact C-N 3.3Å; Q352-G354 PolarHBondContact O-N 3Å; G354-N357 PolarHBondContact O-N 2.67Å; G354-V358 WeakPolarHBondContact O-CG2 3.1Å; G354-V358 PolarHBondContact O-N 3.11Å |
| 355 | S | 91.8 | Very high | 90.4 | Very high | 55 Ų | 55 | 70.1 Ų | 70.1 | 39% | 0.385 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 176.6 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | Q352 S353 V358 H359 | Q352-S355 PolarHBondContact O-N 3.42Å; S353-S355 PolarHBondContact O-N 3.13Å; S355-V358 PolarHBondContact O-N 3.48Å; S355-H359 WeakPolarHBondContact O-CB 3.35Å; S355-H359 PolarHBondContact O-N 3.15Å |
| 356 | R | 94.6 | Very high | 89 | Confident | 62 Ų | 62 | 74.9 Ų | 74.9 | 23% | 0.234 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.1 | -46.2 | 171.4 | 174.1 | -170.5 | 53 | -168 | -6.6 | 111.3 | H341 Q342 F350 Q352 S353 V358 H359 M360 | H341-R356 HydrophobicContact CB-CB 4.28Å; H341-R356 PolarHBondContact ND1-NH2 3.39Å; Q342-R356 WeakPolarHBondContact O-CD 3.35Å; F350-R356 HydrophobicContact CB-CB 4.08Å; F350-R356 HydrophobicContact CD2-CB 3.57Å; F350-R356 HydrophobicContact CD2-CG 3.99Å; F350-R356 HydrophobicContact CE2-CB 4.25Å; F350-R356 HydrophobicContact CE2-CG 4.38Å; F350-R356 HydrophobicContact CG-CB 3.9Å; Q352-R356 PolarHBondContact O-N 3.42Å; S353-R356 WeakPolarHBondContact O-CB 3.42Å; S353-R356 PolarHBondContact O-N 3.2Å; R356-V358 VanDerWaalsContact C-N 3.35Å; R356-V358 PolarHBondContact O-N 3.31Å; R356-H359 CarbonylContact O-C 3.49Å; R356-H359 WeakPolarHBondContact O-CA 3.32Å; R356-H359 WeakPolarHBondContact O-CB 3.47Å; R356-H359 PolarHBondContact O-N 3.06Å; R356-H359 VanDerWaalsContact O-N 3.14Å; R356-M360 HydrophobicContact CG-CG 4.25Å; R356-M360 VanDerWaalsContact O-CG 3.32Å; R356-M360 WeakPolarHBondContact O-CG 3.41Å; R356-M360 PolarHBondContact O-N 3.33Å |
| 357 | N | 92.6 | Very high | 87.4 | Confident | 82 Ų | 82 | 78.2 Ų | 78.2 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.6 | -37.9 | -177.6 | -68.3 | 3.6 | 0 | 0 | 0 | 112.1 | S353 G354 H359 M360 R361 | S353-N357 PolarHBondContact O-N 3.03Å; S353-N357 PolarHBondContact O-OD1 3.43Å; S353-N357 VanDerWaalsContact O-OD1 3.12Å; G354-N357 PolarHBondContact O-N 2.67Å; N357-H359 VanDerWaalsContact C-N 3.33Å; N357-M360 PolarHBondContact O-N 3.03Å; N357-R361 PolarHBondContact O-N 3.31Å |
| 358 | V | 92.4 | Very high | 85.6 | Confident | 59 Ų | 59 | 79 Ų | 79 | 36% | 0.358 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 172.4 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | G354 S355 R356 R361 K362 | G354-V358 WeakPolarHBondContact O-CG2 3.1Å; G354-V358 PolarHBondContact O-N 3.11Å; S355-V358 PolarHBondContact O-N 3.48Å; R356-V358 VanDerWaalsContact C-N 3.35Å; R356-V358 PolarHBondContact O-N 3.31Å; V358-R361 PolarHBondContact O-N 3.43Å; V358-K362 HydrophobicContact CG1-CD 3.94Å; V358-K362 HydrophobicContact CG1-CG 4.36Å; V358-K362 WeakPolarHBondContact O-CB 3.46Å; V358-K362 VanDerWaalsContact O-CG 3.3Å; V358-K362 WeakPolarHBondContact O-CG 3.35Å; V358-K362 PolarHBondContact O-N 3.05Å |
| 359 | H | 91.3 | Very high | 83.6 | Confident | 20 Ų | 20 | 82.3 Ų | 82.3 | 9% | 0.093 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.1 | -48.6 | 174 | 163.4 | 78.9 | 0 | 0 | 0 | 111.9 | C346 F350 S355 R356 N357 R361 K362 R363 H364 | C346-H359 PolarHBondContact SG-NE2 3.47Å; F350-H359 HydrophobicContact CE1-CB 3.9Å; F350-H359 HydrophobicContact CE2-CB 4.12Å; F350-H359 AromaticContact CE2-CD2 3.65Å; F350-H359 AromaticContact CE2-CG 3.87Å; F350-H359 HydrophobicContact CZ-CB 3.46Å; F350-H359 VanDerWaalsContact CZ-CB 3.46Å; F350-H359 AromaticContact CZ-CD2 3.56Å; F350-H359 AromaticContact CZ-CG 3.29Å; F350-H359 AromaticContact CZ-ND1 3.82Å; S355-H359 WeakPolarHBondContact O-CB 3.35Å; S355-H359 PolarHBondContact O-N 3.15Å; R356-H359 CarbonylContact O-C 3.49Å; R356-H359 WeakPolarHBondContact O-CA 3.32Å; R356-H359 WeakPolarHBondContact O-CB 3.47Å; R356-H359 PolarHBondContact O-N 3.06Å; R356-H359 VanDerWaalsContact O-N 3.14Å; N357-H359 VanDerWaalsContact C-N 3.33Å; H359-R361 VanDerWaalsContact C-N 3.34Å; H359-R361 PolarHBondContact O-N 3.45Å; H359-K362 PolarHBondContact O-N 2.98Å; H359-K362 VanDerWaalsContact O-N 3.15Å; H359-R363 WeakPolarHBondContact ND1-CG 3.47Å; H359-R363 WeakPolarHBondContact O-CB 3.45Å; H359-R363 PolarHBondContact O-N 3.39Å; H359-H364 AromaticContact NE2-CD2 3.97Å; H359-H364 AromaticContact NE2-NE2 3.8Å |
| 360 | M | 91.8 | Very high | 81 | Confident | 49 Ų | 49 | 81.9 Ų | 81.9 | 24% | 0.241 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -54 | -50.4 | 176.2 | -70.7 | -66.1 | -64.8 | 0 | 0 | 110.7 | C343 I345 R356 N357 K362 R363 H364 G365 | C343-M360 HydrophobicContact CB-SD 4.15Å; C343-M360 PolarHBondContact SG-SD 3.02Å; I345-M360 HydrophobicContact CD1-CE 3.58Å; I345-M360 HydrophobicContact CG1-CE 4.08Å; R356-M360 HydrophobicContact CG-CG 4.25Å; R356-M360 VanDerWaalsContact O-CG 3.32Å; R356-M360 WeakPolarHBondContact O-CG 3.41Å; R356-M360 PolarHBondContact O-N 3.33Å; N357-M360 PolarHBondContact O-N 3.03Å; M360-K362 VanDerWaalsContact C-N 3.33Å; M360-K362 PolarHBondContact O-N 3.48Å; M360-R363 PolarHBondContact O-N 3.41Å; M360-H364 CarbonylContact O-C 3.28Å; M360-H364 VanDerWaalsContact O-CA 3.29Å; M360-H364 WeakPolarHBondContact O-CA 3.41Å; M360-H364 WeakPolarHBondContact O-CB 3.47Å; M360-H364 PolarHBondContact O-N 3.06Å; M360-G365 PolarHBondContact O-N 3.11Å; M360-G365 VanDerWaalsContact O-N 3.16Å |
| 361 | R | 92.7 | Very high | 78.8 | Confident | 159 Ų | 159 | 86.8 Ų | 86.8 | 60% | 0.6 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.9 | -39 | 178.6 | -165.8 | -169.8 | -48.7 | 105.5 | 5.2 | 113.1 | N357 V358 H359 G365 | N357-R361 PolarHBondContact O-N 3.31Å; V358-R361 PolarHBondContact O-N 3.43Å; H359-R361 VanDerWaalsContact C-N 3.34Å; H359-R361 PolarHBondContact O-N 3.45Å; R361-G365 VanDerWaalsContact O-CA 3.24Å; R361-G365 WeakPolarHBondContact O-CA 3.49Å; R361-G365 PolarHBondContact O-N 3.09Å |
| 362 | K | 91.6 | Very high | 76.5 | Confident | 160 Ų | 160 | 94 Ų | 94 | 70% | 0.696 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -81.2 | -27.6 | -175.6 | -75.2 | -174.5 | 177.1 | -169.5 | 0 | 114 | V358 H359 M360 | V358-K362 HydrophobicContact CG1-CD 3.94Å; V358-K362 HydrophobicContact CG1-CG 4.36Å; V358-K362 WeakPolarHBondContact O-CB 3.46Å; V358-K362 VanDerWaalsContact O-CG 3.3Å; V358-K362 WeakPolarHBondContact O-CG 3.35Å; V358-K362 PolarHBondContact O-N 3.05Å; H359-K362 PolarHBondContact O-N 2.98Å; H359-K362 VanDerWaalsContact O-N 3.15Å; M360-K362 VanDerWaalsContact C-N 3.33Å; M360-K362 PolarHBondContact O-N 3.48Å |
| 363 | R | 87.4 | Confident | 73.9 | Confident | 164 Ų | 164 | 93 Ų | 93 | 62% | 0.619 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -113.2 | -21.7 | -171.3 | -60.1 | -56.6 | -173.8 | 91.3 | -2.5 | 113.5 | H359 M360 | H359-R363 WeakPolarHBondContact ND1-CG 3.47Å; H359-R363 WeakPolarHBondContact O-CB 3.45Å; H359-R363 PolarHBondContact O-N 3.39Å; M360-R363 PolarHBondContact O-N 3.41Å |
| 364 | H | 86.8 | Confident | 71.3 | Confident | 22 Ų | 22 | 101.2 Ų | 101.2 | 10% | 0.102 | 52% | 0.523 | C | S | . | . | S | Bend | trans | -136.9 | 20.8 | -176.8 | -54.9 | -66.4 | 0 | 0 | 0 | 111.3 | I345 H359 M360 E366 E367 A368 | I345-H364 HydrophobicContact CD1-CB 3.45Å; I345-H364 VanDerWaalsContact CD1-CB 3.45Å; I345-H364 VanDerWaalsContact CG2-CE1 3.42Å; I345-H364 WeakPolarHBondContact CG2-CE1 3.41Å; I345-H364 WeakPolarHBondContact CG2-ND1 3.34Å; H359-H364 AromaticContact NE2-CD2 3.97Å; H359-H364 AromaticContact NE2-NE2 3.8Å; M360-H364 CarbonylContact O-C 3.28Å; M360-H364 VanDerWaalsContact O-CA 3.29Å; M360-H364 WeakPolarHBondContact O-CA 3.41Å; M360-H364 WeakPolarHBondContact O-CB 3.47Å; M360-H364 PolarHBondContact O-N 3.06Å; H364-E366 VanDerWaalsContact C-N 3.25Å; H364-E366 PolarHBondContact O-N 3.47Å; H364-E367 IonicContact CG-OE2 2.76Å; H364-E367 IonicContact ND1-OE2 3.8Å; H364-E367 PolarHBondContact ND1-OE2 3.01Å; H364-E367 VanDerWaalsContact ND1-OE2 3.08Å; H364-E367 PolarHBondContact O-N 3.16Å; H364-A368 WeakPolarHBondContact O-CB 3.42Å; H364-A368 PolarHBondContact O-N 3.36Å |
| 365 | G | 73.2 | Confident | 68.8 | Low | 29 Ų | 29 | 108.6 Ų | 108.6 | 30% | 0.299 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -28.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | M360 R361 | M360-G365 PolarHBondContact O-N 3.11Å; M360-G365 VanDerWaalsContact O-N 3.16Å; R361-G365 VanDerWaalsContact O-CA 3.24Å; R361-G365 WeakPolarHBondContact O-CA 3.49Å; R361-G365 PolarHBondContact O-N 3.09Å |
| 366 | E | 62.2 | Low | 66 | Low | 187 Ų | 187 | 112.2 Ų | 112.2 | 87% | 0.874 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -35.7 | 175.9 | -64.5 | 177.3 | 156.5 | 0 | 0 | 111.5 | H364 A368 | H364-E366 VanDerWaalsContact C-N 3.25Å; H364-E366 PolarHBondContact O-N 3.47Å; E366-A368 PolarHBondContact O-N 3.46Å |
| 367 | E | 57.9 | Low | 63 | Low | 122 Ų | 122 | 112.6 Ų | 112.6 | 57% | 0.57 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -76.7 | -20.1 | 179.4 | -63.5 | 174.2 | 150.8 | 0 | 0 | 113.3 | H364 Q369 | H364-E367 IonicContact CG-OE2 2.76Å; H364-E367 IonicContact ND1-OE2 3.8Å; H364-E367 PolarHBondContact ND1-OE2 3.01Å; H364-E367 VanDerWaalsContact ND1-OE2 3.08Å; H364-E367 PolarHBondContact O-N 3.16Å; E367-Q369 VanDerWaalsContact C-N 3.32Å; E367-Q369 PolarHBondContact O-N 3.11Å |
| 368 | A | 52.6 | Low | 60 | Low | 52 Ų | 52 | 117.9 Ų | 117.9 | 43% | 0.43 | 61% | 0.613 | S | S | . | * | G | 310 helix | trans | -74.5 | -17.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | H364 E366 | H364-A368 WeakPolarHBondContact O-CB 3.42Å; H364-A368 PolarHBondContact O-N 3.36Å; E366-A368 PolarHBondContact O-N 3.46Å |
| 369 | Q | 48.6 | Very low | 57.1 | Low | 174 Ų | 174 | 119.7 Ų | 119.7 | 81% | 0.813 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -87.8 | -9.2 | 178.9 | -66.9 | -178 | 0.8 | 0 | 0 | 113.3 | E367 | E367-Q369 VanDerWaalsContact C-N 3.32Å; E367-Q369 PolarHBondContact O-N 3.11Å |
| 370 | G | 40.1 | Very low | 54.3 | Low | 58 Ų | 58 | 126.7 Ų | 126.7 | 60% | 0.598 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -92 | -7.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 371 | N | 44.1 | Very low | 51.4 | Low | 144 Ų | 144 | 130 Ų | 130 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -113 | 5.3 | -167.9 | -116.2 | 12.4 | 0 | 0 | 0 | 115.5 | G373 | N371-G373 VanDerWaalsContact C-N 3.31Š|
| 372 | E | 41.1 | Very low | 48.5 | Very low | 193 Ų | 193 | 131 Ų | 131 | 90% | 0.902 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -88.4 | 3.4 | 170.9 | -68.2 | -171.9 | 129.6 | 0 | 0 | 112.8 | ||
| 373 | G | 36.8 | Very low | 45.5 | Very low | 70 Ų | 70 | 128.2 Ų | 128.2 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -122.2 | 13.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | N371 | N371-G373 VanDerWaalsContact C-N 3.31Š|
| 374 | R | 37.9 | Very low | 42.7 | Very low | 227 Ų | 227 | 125.9 Ų | 125.9 | 86% | 0.857 | 72% | 0.715 | S | S | * | * | trans | -132.5 | 60.7 | -178.9 | -155.9 | 179.4 | -177.3 | 119.6 | 1.5 | 113.6 | ||||
| 375 | E | 38.1 | Very low | 39.8 | Very low | 192 Ų | 192 | 132 Ų | 132 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | trans | -131.3 | 65.1 | 158.1 | -70.2 | -167.9 | 157.4 | 0 | 0 | 109.9 | ||||
| 376 | T | 33.2 | Very low | 37.7 | Very low | 131 Ų | 131 | 139 Ų | 139 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -139.3 | 110.7 | 156.3 | 54.9 | 0 | 0 | 0 | 0 | 108.9 | ||
| 377 | G | 31.6 | Very low | 36 | Very low | 70 Ų | 70 | 138.7 Ų | 138.7 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | 67.4 | 111.9 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 378 | E | 28.3 | Very low | 34.5 | Very low | 194 Ų | 194 | 136.8 Ų | 136.8 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | 174.5 | 125.7 | 101.7 | -90.8 | 171.8 | 169.5 | 0 | 0 | 110.2 | |||||
| 379 | A | 31.9 | Very low | 33.1 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | -65.8 | 129.7 | 171 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 380 | L | 31.8 | Very low | 32 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | trans | -130 | 115.1 | 154.9 | -76.1 | 177 | 0 | 0 | 0 | 110.1 | ||||
| 381 | T | 31.9 | Very low | 31.4 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 72% | 0.718 | 81% | 0.812 | S | S | * | * | trans | -41.3 | 131.2 | 165.8 | 49.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 382 | H | 30.6 | Very low | 30.6 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -150.8 | 110.1 | 130.5 | -126.9 | -86.4 | 0 | 0 | 0 | 110.5 | ||||
| 383 | S | 29.2 | Very low | 30 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | -68.1 | 136.6 | 162.8 | -58.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 384 | S | 28.7 | Very low | 29.4 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -154.3 | 110.8 | 143.9 | -79.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 385 | L | 26.6 | Very low | 28.9 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | trans | -58.9 | 138.7 | 172.4 | -78 | 97.2 | 0 | 0 | 0 | 110.9 | ||||
| 386 | L | 28.6 | Very low | 28.1 | Very low | 176 Ų | 176 | 132.9 Ų | 132.9 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | -146.5 | 113.8 | 126.2 | -75.2 | -178 | 0 | 0 | 0 | 107.8 | |||||
| 387 | E | 26.3 | Very low | 27.7 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -83.9 | 135.7 | 163.2 | -65.1 | -164.5 | 139.7 | 0 | 0 | 109.2 | ||||
| 388 | A | 27 | Very low | 27.3 | Very low | 81 Ų | 81 | 133.7 Ų | 133.7 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | trans | 179.8 | 109.1 | 134.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 389 | D | 23 | Very low | 27 | Very low | 165 Ų | 165 | 132.4 Ų | 132.4 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | 58.7 | 107.8 | 125.8 | -39.4 | -17.6 | 0 | 0 | 0 | 119.4 | |||||
| 390 | G | 25.2 | Very low | 26.7 | Very low | 70 Ų | 70 | 133.4 Ų | 133.4 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 156.6 | 91.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | P392 | G390-P392 VanDerWaalsContact O-CD 3.3Å; G390-P392 WeakPolarHBondContact O-CD 3.37Å | ||
| 391 | S | 27.4 | Very low | 26.4 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | trans | -46.4 | 130.5 | 171 | -176.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 392 | P | 27.6 | Very low | 26 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | trans | -120.2 | 142.5 | 150.2 | 28.9 | -10.9 | 0 | 0 | 0 | 111.4 | G390 D394 | G390-P392 VanDerWaalsContact O-CD 3.3Å; G390-P392 WeakPolarHBondContact O-CD 3.37Å; P392-D394 PolarHBondContact O-N 3.32Å | ||
| 393 | V | 29 | Very low | 25.8 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | trans | -52.6 | 110.1 | 168.5 | -81.4 | 0 | 0 | 0 | 0 | 111.5 | T395 | V393-T395 PolarHBondContact O-N 3.05Š| ||
| 394 | D | 23.7 | Very low | 25.6 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | -88 | 99.6 | 171.6 | -104.4 | -22.5 | 0 | 0 | 0 | 110.8 | P392 M396 | P392-D394 PolarHBondContact O-N 3.32Å; D394-M396 PolarHBondContact O-N 3.44Å | ||
| 395 | T | 27.1 | Very low | 25.6 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -53.3 | 91.4 | 147.1 | 22.3 | 0 | 0 | 0 | 0 | 109.4 | V393 V397 | V393-T395 PolarHBondContact O-N 3.05Å; T395-V397 PolarHBondContact O-N 3.19Å | ||
| 396 | M | 21.1 | Very low | 25.7 | Very low | 156 Ų | 156 | 124 Ų | 124 | 77% | 0.768 | 74% | 0.742 | S | S | * | * | trans | -70.9 | 94.8 | 165.3 | -62.6 | -165.5 | -162.7 | 0 | 0 | 109 | D394 T398 | D394-M396 PolarHBondContact O-N 3.44Å; M396-T398 HydrophobicContact CB-CG2 4.42Å; M396-T398 PolarHBondContact O-N 3.08Å | ||
| 397 | V | 25.1 | Very low | 25.5 | Very low | 114 Ų | 114 | 119.6 Ų | 119.6 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | trans | -68.6 | 84 | 155.3 | 178.8 | 0 | 0 | 0 | 0 | 106.5 | T395 M399 | T395-V397 PolarHBondContact O-N 3.19Å; V397-M399 VanDerWaalsContact C-N 3.34Å; V397-M399 HydrophobicContact CG1-CE 4.3Å; V397-M399 HydrophobicContact CG1-CG 4.33Å; V397-M399 PolarHBondContact O-N 3.3Å | ||
| 398 | T | 22.9 | Very low | 25.5 | Very low | 103 Ų | 103 | 114.9 Ų | 114.9 | 63% | 0.632 | 70% | 0.703 | S | S | * | * | trans | -67.9 | 99 | 163.2 | 50.9 | 0 | 0 | 0 | 0 | 107.3 | M396 T400 | M396-T398 HydrophobicContact CB-CG2 4.42Å; M396-T398 PolarHBondContact O-N 3.08Å; T398-T400 PolarHBondContact O-N 3.08Å | ||
| 399 | M | 22.8 | Very low | 25.5 | Very low | 168 Ų | 168 | 118.5 Ų | 118.5 | 83% | 0.828 | 71% | 0.706 | S | S | * | * | trans | -63.9 | 79.5 | 159.7 | -75.7 | -77.2 | 179.8 | 0 | 0 | 107.7 | V397 T401 | V397-M399 VanDerWaalsContact C-N 3.34Å; V397-M399 HydrophobicContact CG1-CE 4.3Å; V397-M399 HydrophobicContact CG1-CG 4.33Å; V397-M399 PolarHBondContact O-N 3.3Å; M399-T401 PolarHBondContact O-N 3.21Å | ||
| 400 | T | 24.6 | Very low | 25.7 | Very low | 116 Ų | 116 | 118 Ų | 118 | 71% | 0.712 | 70% | 0.698 | S | S | * | * | trans | -65.1 | 105.8 | 164.2 | 56.8 | 0 | 0 | 0 | 0 | 106.1 | T398 G402 | T398-T400 PolarHBondContact O-N 3.08Å; T400-G402 PolarHBondContact O-N 3.21Å | ||
| 401 | T | 25.8 | Very low | 25.6 | Very low | 129 Ų | 129 | 119.1 Ų | 119.1 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | trans | -56.2 | 97 | 161.5 | 49 | 0 | 0 | 0 | 0 | 107.1 | M399 V403 | M399-T401 PolarHBondContact O-N 3.21Å; T401-V403 PolarHBondContact O-N 3.21Å | ||
| 402 | G | 24.5 | Very low | 25.5 | Very low | 60 Ų | 60 | 121.5 Ų | 121.5 | 62% | 0.619 | 70% | 0.699 | S | S | * | * | trans | -56.9 | 110.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | T400 D404 | T400-G402 PolarHBondContact O-N 3.21Å; G402-D404 PolarHBondContact O-N 3.04Å | ||
| 403 | V | 26 | Very low | 25.4 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 70% | 0.703 | 71% | 0.71 | S | S | * | * | trans | -72.4 | 89.2 | 166.2 | -170.4 | 0 | 0 | 0 | 0 | 105.9 | T401 | T401-V403 PolarHBondContact O-N 3.21Š| ||
| 404 | D | 24.9 | Very low | 25.2 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | trans | -62.3 | 133.9 | 169.8 | -84.1 | -35.5 | 0 | 0 | 0 | 109.5 | G402 I406 | G402-D404 PolarHBondContact O-N 3.04Å; D404-I406 PolarHBondContact O-N 3.3Å | ||
| 405 | P | 28.2 | Very low | 25.3 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 65% | 0.649 | 72% | 0.718 | S | S | * | * | trans | -72.3 | 114.3 | 176.6 | 27.6 | -30.8 | 0 | 0 | 0 | 110.2 | ||||
| 406 | I | 29.5 | Very low | 25.4 | Very low | 88 Ų | 88 | 132 Ų | 132 | 45% | 0.451 | 72% | 0.721 | S | S | . | * | trans | 40.7 | 84.8 | 151.5 | -48.9 | 176.3 | 0 | 0 | 0 | 113.8 | D404 V408 | D404-I406 PolarHBondContact O-N 3.3Å; I406-V408 HydrophobicContact CG2-CG2 4.05Å | ||
| 407 | N | 25 | Very low | 25.5 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 46% | 0.455 | 72% | 0.723 | S | S | . | * | trans | -119.1 | 89.6 | 152.6 | -138.9 | -1.2 | 0 | 0 | 0 | 107.8 | E324 S326 H409 | E324-N407 PolarHBondContact OE1-ND2 3.03Å; S326-N407 PolarHBondContact OG-ND2 3.31Å; N407-H409 PolarHBondContact O-N 3.09Å | ||
| 408 | V | 26.3 | Very low | 25.5 | Very low | 82 Ų | 82 | 128.6 Ų | 128.6 | 50% | 0.497 | 73% | 0.73 | S | S | . | * | trans | -74.7 | 93.2 | 175.8 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | I406 | I406-V408 HydrophobicContact CG2-CG2 4.05Š| ||
| 409 | H | 25.2 | Very low | 25.7 | Very low | 158 Ų | 158 | 127.4 Ų | 127.4 | 73% | 0.731 | 73% | 0.731 | S | S | * | * | trans | -89 | 101.5 | 167.3 | -149.4 | -73.6 | 0 | 0 | 0 | 107.7 | N407 A411 | N407-H409 PolarHBondContact O-N 3.09Å; H409-A411 PolarHBondContact O-N 3.44Å | ||
| 410 | H | 28.1 | Very low | 25.8 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 72% | 0.718 | 73% | 0.73 | S | S | * | * | trans | -73.5 | 120.6 | 164.1 | -101.7 | -88.3 | 0 | 0 | 0 | 108.3 | ||||
| 411 | A | 22.4 | Very low | 25.9 | Very low | 92 Ų | 92 | 126.5 Ų | 126.5 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | trans | -74.3 | 121.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | H409 | H409-A411 PolarHBondContact O-N 3.44Š| ||
| 412 | M | 26.4 | Very low | 25.8 | Very low | 178 Ų | 178 | 126.5 Ų | 126.5 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | trans | -105.7 | 124.2 | 159.2 | -79.7 | -165 | 164.7 | 0 | 0 | 107.8 | R414 | M412-R414 PolarHBondContact O-N 3.33Š| ||
| 413 | L | 25.5 | Very low | 25.8 | Very low | 174 Ų | 174 | 130.5 Ų | 130.5 | 91% | 0.911 | 75% | 0.745 | S | S | * | * | trans | -56.7 | 127 | 168.9 | -68 | 161.9 | 0 | 0 | 0 | 108.3 | T415 | L413-T415 PolarHBondContact O-N 3.41Š| ||
| 414 | R | 25.2 | Very low | 25.8 | Very low | 233 Ų | 233 | 130.2 Ų | 130.2 | 88% | 0.879 | 74% | 0.743 | S | S | * | * | trans | -77.2 | 113.2 | 168.7 | -71.5 | -179.3 | -175.4 | 177.9 | -0.2 | 107.8 | M412 | M412-R414 PolarHBondContact O-N 3.33Š| ||
| 415 | T | 25.5 | Very low | 25.7 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | trans | -82.7 | 113.2 | 152.8 | 48.7 | 0 | 0 | 0 | 0 | 107 | L413 | L413-T415 PolarHBondContact O-N 3.41Š| ||
| 416 | Q | 28.5 | Very low | 25.6 | Very low | 185 Ų | 185 | 131 Ų | 131 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | trans | -74.3 | 132.7 | 171.1 | -76.3 | 177.7 | -14.5 | 0 | 0 | 109.1 | ||||
| 417 | G | 23.6 | Very low | 25.5 | Very low | 77 Ų | 77 | 134.2 Ų | 134.2 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | -146.3 | 98.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 418 | S | 23.8 | Very low | 26.1 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -164.5 | 111.4 | 157.7 | -173.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 419 | A | 27.2 | Very low | 26.2 | Very low | 78 Ų | 78 | 138.9 Ų | 138.9 | 65% | 0.645 | 79% | 0.787 | S | S | * | * | trans | -60.6 | 140.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 420 | D | 26.3 | Very low | 26.3 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | 172.5 | 147.5 | 111.6 | -91.9 | -25.4 | 0 | 0 | 0 | 112.3 | |||||
| 421 | S | 26.3 | Very low | 26.3 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 85.7 | 85.3 | 158 | -45.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 422 | V | 24.5 | Very low | 26.5 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | trans | 1.1 | 122.8 | 131.6 | -175.7 | 0 | 0 | 0 | 0 | 117.5 | V424 | V422-V424 HydrophobicContact CG1-CG2 4.47Š| ||
| 423 | V | 24.4 | Very low | 26.5 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 87% | 0.873 | 78% | 0.776 | S | S | * | * | trans | -141.2 | 121.9 | 137.2 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 424 | V | 24.8 | Very low | 26.6 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | trans | -66.3 | 144.6 | 171.7 | 169.3 | 0 | 0 | 0 | 0 | 110.2 | V422 | V422-V424 HydrophobicContact CG1-CG2 4.47Š| ||
| 425 | L | 23.6 | Very low | 26.6 | Very low | 153 Ų | 153 | 129 Ų | 129 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | -176.3 | 113.1 | 130.2 | -92.6 | 169.9 | 0 | 0 | 0 | 111.8 | ||||
| 426 | S | 25.3 | Very low | 26.8 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | 68.5 | 119.4 | 134.7 | -54.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 427 | Q | 27.5 | Very low | 26.7 | Very low | 156 Ų | 156 | 124.1 Ų | 124.1 | 73% | 0.729 | 75% | 0.754 | S | S | * | * | trans | -61.1 | 172.3 | 157.5 | -61.3 | 174.7 | -48.2 | 0 | 0 | 112.1 | H429 | Q427-H429 PolarHBondContact OE1-NE2 3.48Š| ||
| 428 | P | 37.8 | Very low | 26.9 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | -135.6 | 163.9 | 91.8 | 26.5 | -7.5 | 0 | 0 | 0 | 115.6 | |||||
| 429 | H | 29.2 | Very low | 27.2 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 63% | 0.634 | 76% | 0.756 | S | S | * | * | trans | -59.1 | 163.4 | 174 | -67.3 | -116.2 | 0 | 0 | 0 | 113 | Q427 | Q427-H429 PolarHBondContact OE1-NE2 3.48Š| ||
| 430 | D | 26.8 | Very low | 27.3 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | -167.8 | 132.8 | 58.6 | -95.5 | -42.1 | 0 | 0 | 0 | 110.7 | |||||
| 431 | L | 27.5 | Very low | 27.4 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | 63.5 | 118.6 | 110.9 | -98.1 | 127.1 | 0 | 0 | 0 | 117.9 | |||||
| 432 | V | 26.4 | Very low | 28.5 | Very low | 130 Ų | 130 | 134 Ų | 134 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | -173.9 | 131.1 | 101.4 | 158.6 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 433 | T | 27.9 | Very low | 28.8 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | trans | -61.8 | 154.4 | 172.7 | 44.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 434 | M | 25.7 | Very low | 29.3 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | -159.3 | 122.2 | 123.7 | -89.3 | -105.8 | 86 | 0 | 0 | 110.3 | |||||
| 435 | T | 26.8 | Very low | 29.7 | Very low | 104 Ų | 104 | 135 Ų | 135 | 64% | 0.638 | 75% | 0.748 | S | S | * | * | trans | -69.4 | 153.7 | 173 | 40.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 436 | T | 28.8 | Very low | 30.1 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | 175.8 | 118.6 | 113.8 | 32.1 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 437 | A | 26.8 | Very low | 30.5 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | 99.1 | 97.3 | 111 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 438 | S | 27.5 | Very low | 30.9 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | 66.4 | 97.8 | 80 | -56.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 439 | H | 30.4 | Very low | 31 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 91% | 0.912 | 77% | 0.772 | S | S | * | * | trans | -143.7 | 119.7 | 139.4 | -97.6 | -75.6 | 0 | 0 | 0 | 109.7 | ||||
| 440 | T | 28.8 | Very low | 31.1 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -75.3 | 138.2 | 175.4 | 41.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 441 | Y | 28.8 | Very low | 31.3 | Very low | 219 Ų | 219 | 139.3 Ų | 139.3 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | 16.8 | 162.1 | 134.8 | -72.2 | -84.2 | 0 | 0 | 0 | 120.2 | ||||
| 442 | P | 49.1 | Very low | 31.5 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | cis | -155.3 | -179.6 | 27.2 | 51.5 | -31.8 | 0 | 0 | 0 | 118.8 | ||||
| 443 | E | 31.9 | Very low | 31.8 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | 77 | 117.3 | 140.2 | -58.3 | -118.7 | 150.3 | 0 | 0 | 123.8 | ||||
| 444 | D | 33.8 | Very low | 32.1 | Very low | 125 Ų | 125 | 142 Ų | 142 | 67% | 0.668 | 80% | 0.795 | S | S | * | * | 79.8 | 118 | 117.1 | -74.2 | 14.4 | 0 | 0 | 0 | 125.3 | |||||
| 445 | V | 32.6 | Very low | 32.5 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | 92.2 | 135.7 | 119.5 | 179.8 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 446 | V | 32.9 | Very low | 32.9 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | 109.9 | 107.6 | 151.7 | -164.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 447 | A | 34.1 | Very low | 33.2 | Very low | 79 Ų | 79 | 143.1 Ų | 143.1 | 65% | 0.653 | 80% | 0.8 | S | S | * | * | trans | 72.3 | 120.5 | 132.3 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 448 | L | 35 | Very low | 33.7 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | 32.7 | 110.7 | 117.9 | -82.7 | 138.7 | 0 | 0 | 0 | 117.5 | |||||
| 449 | L | 39.8 | Very low | 34.3 | Very low | 246 Ų | 246 | 151.1 Ų | 151.1 | 100% | 1.288 | 81% | 0.809 | S | S | * | * | -146.6 | 0 | 118.5 | -97.1 | 170.6 | 0 | 0 | 0 | 109.3 |
Retrieved 449 of 449 residues in 1035 ms
(Link to these results)