| 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 | 41.9 | Very low | 35.9 | Very low | 241 Ų | 241 | 169.7 Ų | 169.7 | 100% | 1.187 | 86% | 0.858 | S | S | * | * | 0 | 148.6 | 0 | -81.8 | -171.6 | 142.8 | 0 | 0 | 108.5 | |||||
| 2 | H | 31.7 | Very low | 35.7 | Very low | 188 Ų | 188 | 175.3 Ų | 175.3 | 87% | 0.87 | 86% | 0.861 | S | S | * | * | trans | 80 | 104 | -158.8 | -69.5 | -68.9 | 0 | 0 | 0 | 115.8 | ||||
| 3 | P | 37.5 | Very low | 35.4 | Very low | 123 Ų | 123 | 172.2 Ų | 172.2 | 80% | 0.799 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 141.3 | 172 | 35.5 | -27.7 | 0 | 0 | 0 | 110.9 | ||
| 4 | V | 38 | Very low | 35.1 | Very low | 142 Ų | 142 | 168.9 Ų | 168.9 | 86% | 0.861 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 124.7 | 169.2 | 174.7 | 0 | 0 | 0 | 0 | 108 | ||
| 5 | E | 34.5 | Very low | 34.8 | Very low | 161 Ų | 161 | 164.7 Ų | 164.7 | 75% | 0.752 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 128.3 | -176.6 | -63.8 | 179 | 149.3 | 0 | 0 | 112 | ||
| 6 | N | 33.4 | Very low | 34.6 | Very low | 159 Ų | 159 | 166.8 Ų | 166.8 | 85% | 0.85 | 85% | 0.849 | S | S | * | * | trans | -99.8 | 112.1 | 165.5 | -91 | -25 | 0 | 0 | 0 | 109.2 | ||||
| 7 | K | 35.3 | Very low | 34.5 | Very low | 186 Ų | 186 | 162.9 Ų | 162.9 | 81% | 0.809 | 85% | 0.848 | S | S | * | * | trans | -95.2 | 118.7 | 168.2 | -73.9 | -178.9 | 179.9 | 175.2 | 0 | 109.4 | ||||
| 8 | I | 37.5 | Very low | 34.5 | Very low | 156 Ų | 156 | 163.3 Ų | 163.3 | 80% | 0.8 | 85% | 0.85 | S | S | * | * | trans | -111.1 | 128.2 | 165.7 | -62.8 | 172.7 | 0 | 0 | 0 | 107.1 | ||||
| 9 | P | 35.6 | Very low | 34.3 | Very low | 120 Ų | 120 | 164.6 Ų | 164.6 | 78% | 0.779 | 85% | 0.853 | S | S | * | * | trans | -75.5 | 130.7 | 175.7 | -12.2 | 28.2 | 0 | 0 | 0 | 111.6 | ||||
| 10 | R | 35.6 | Very low | 34.1 | Very low | 229 Ų | 229 | 161.3 Ų | 161.3 | 86% | 0.864 | 85% | 0.851 | S | S | * | * | trans | -75.6 | 139.4 | 153.7 | -66.5 | -179.4 | -168.9 | -146.2 | 1.1 | 107 | ||||
| 11 | D | 34.1 | Very low | 34.3 | Very low | 162 Ų | 162 | 159.2 Ų | 159.2 | 87% | 0.866 | 85% | 0.85 | S | S | * | * | trans | -174.2 | 125.4 | 131.8 | -85.2 | -21.5 | 0 | 0 | 0 | 110.3 | ||||
| 12 | W | 33.7 | Very low | 34.1 | Very low | 236 Ų | 236 | 154 Ų | 154 | 89% | 0.894 | 83% | 0.834 | S | S | * | * | trans | -123.3 | 119.2 | 165 | -103.7 | 63.4 | 0 | 0 | 0 | 106.8 | ||||
| 13 | L | 31.1 | Very low | 34.1 | Very low | 135 Ų | 135 | 150.9 Ų | 150.9 | 71% | 0.707 | 83% | 0.834 | S | S | * | * | trans | 39.5 | 115.1 | 137.6 | -73.1 | 149.8 | 0 | 0 | 0 | 119 | ||||
| 14 | S | 30.8 | Very low | 33.8 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 88% | 0.881 | 83% | 0.827 | S | S | * | * | trans | -151.9 | 122.6 | 137.1 | -148.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 15 | S | 31.3 | Very low | 33.6 | Very low | 106 Ų | 106 | 151.6 Ų | 151.6 | 74% | 0.741 | 83% | 0.831 | S | S | * | * | trans | -92.5 | 135.4 | 173.7 | -56.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 16 | Q | 32.3 | Very low | 33.6 | Very low | 199 Ų | 199 | 147.6 Ų | 147.6 | 93% | 0.93 | 83% | 0.833 | S | S | * | * | trans | -139.2 | 111.7 | 155.4 | -106.3 | -179.2 | 20.7 | 0 | 0 | 109.2 | ||||
| 17 | A | 32.5 | Very low | 33.8 | Very low | 100 Ų | 100 | 146.4 Ų | 146.4 | 83% | 0.826 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 137.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 18 | I | 34.1 | Very low | 33.6 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 88% | 0.877 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 134.9 | -178 | -69.2 | 165 | 0 | 0 | 0 | 109.6 | ||
| 19 | M | 31 | Very low | 33.6 | Very low | 187 Ų | 187 | 146.2 Ų | 146.2 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 135.7 | 177.2 | -72.6 | -115.6 | -85 | 0 | 0 | 112 | ||
| 20 | A | 30.7 | Very low | 33.8 | Very low | 98 Ų | 98 | 146.1 Ų | 146.1 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | trans | -128.2 | 141.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 21 | S | 37.4 | Very low | 33.5 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 83% | 0.832 | 84% | 0.84 | S | S | * | * | trans | -57.3 | 164.9 | -177.3 | -52.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 22 | P | 38.2 | Very low | 33.6 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | -141.3 | 162 | 110.9 | 32.7 | -16.2 | 0 | 0 | 0 | 116.1 | |||||
| 23 | S | 32.4 | Very low | 33.9 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | trans | -85.1 | 151.1 | -173.7 | -168.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 24 | G | 29.9 | Very low | 34 | Very low | 65 Ų | 65 | 133.7 Ų | 133.7 | 67% | 0.67 | 84% | 0.839 | S | S | * | * | 76.1 | 99.6 | 129.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 25 | K | 33.9 | Very low | 34 | Very low | 215 Ų | 215 | 134.2 Ų | 134.2 | 94% | 0.935 | 84% | 0.841 | S | S | * | * | trans | -144.9 | 115.3 | 142.2 | -72.1 | -167.5 | 179.2 | 177.5 | 0 | 109.3 | ||||
| 26 | G | 34.1 | Very low | 34 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | trans | -80.8 | 171.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 27 | P | 37.9 | Very low | 34.7 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 87% | 0.87 | 83% | 0.832 | S | S | * | * | trans | -126 | 157.1 | 153.4 | 28.3 | -10.4 | 0 | 0 | 0 | 113.7 | ||||
| 28 | R | 32.3 | Very low | 34.7 | Very low | 245 Ų | 245 | 134.9 Ų | 134.9 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -60.4 | 149.8 | -175.9 | -71.6 | 164.5 | 164.5 | 174 | -6.3 | 114.4 | ||||
| 29 | A | 36.3 | Very low | 35.3 | Very low | 93 Ų | 93 | 131.7 Ų | 131.7 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | trans | -71.7 | 162.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 30 | P | 40.1 | Very low | 35.5 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | -135.9 | 141.3 | 129.7 | 30 | -13.6 | 0 | 0 | 0 | 114.6 | |||||
| 31 | E | 30.4 | Very low | 35.3 | Very low | 194 Ų | 194 | 129.7 Ų | 129.7 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | trans | 27.4 | 132.4 | 141 | -59 | -171.3 | 145 | 0 | 0 | 122.1 | ||||
| 32 | A | 34.5 | Very low | 35 | Very low | 97 Ų | 97 | 134.9 Ų | 134.9 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -127.7 | 136.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 33 | P | 41 | Very low | 34.6 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | -91.9 | 156.7 | 177.9 | 35.4 | -30.7 | 0 | 0 | 0 | 112.1 | ||||
| 34 | G | 32.4 | Very low | 34.9 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -77.6 | -177.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 35 | C | 32.3 | Very low | 35.1 | Very low | 137 Ų | 137 | 140 Ų | 140 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | trans | -159.7 | 133.9 | 158 | -131.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 36 | G | 30.2 | Very low | 34.9 | Very low | 68 Ų | 68 | 136.8 Ų | 136.8 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -83.6 | -140.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 37 | P | 46.5 | Very low | 34.8 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | -128 | 170.3 | -105.7 | 36.3 | -22 | 0 | 0 | 0 | 115.5 | |||||
| 38 | R | 32.1 | Very low | 34.6 | Very low | 232 Ų | 232 | 138.5 Ų | 138.5 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | trans | 68.1 | 174.9 | 150.7 | -92.2 | -177.2 | 175.1 | -168.9 | -0.7 | 117.1 | ||||
| 39 | P | 48.2 | Very low | 34.6 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | cis | -135.6 | -170 | -26.1 | 30.6 | -8.8 | 0 | 0 | 0 | 111.8 | ||||
| 40 | L | 34 | Very low | 34.5 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | 155.4 | 105.1 | 138.9 | -80.4 | 165.6 | 0 | 0 | 0 | 107.2 | ||||
| 41 | A | 27.7 | Very low | 34.1 | Very low | 81 Ų | 81 | 135.5 Ų | 135.5 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | 74.9 | 119.6 | 67.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 42 | R | 31.1 | Very low | 34.3 | Very low | 228 Ų | 228 | 135.6 Ų | 135.6 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | 69.1 | 149 | 143.4 | -85 | -174.8 | 165.1 | 161.4 | -5 | 118.1 | ||||
| 43 | D | 30.2 | Very low | 34.2 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 65% | 0.652 | 80% | 0.796 | S | S | * | * | cis | -149.6 | 144.5 | 15 | -84.6 | -44.5 | 0 | 0 | 0 | 108 | ||||
| 44 | L | 37 | Very low | 34.1 | Very low | 154 Ų | 154 | 136 Ų | 136 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | 52.5 | 102.6 | 87.1 | -106.4 | 158 | 0 | 0 | 0 | 115.3 | |||||
| 45 | V | 34.4 | Very low | 34.5 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 90% | 0.903 | 80% | 0.801 | S | S | * | * | trans | -151.9 | 131.9 | 140 | -148.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 46 | D | 29.9 | Very low | 35.1 | Very low | 149 Ų | 149 | 143 Ų | 143 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -84.4 | 143.9 | 174.6 | -137.9 | -9.1 | 0 | 0 | 0 | 109.8 | ||||
| 47 | S | 32.1 | Very low | 35.5 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -154.1 | 110.7 | 159.3 | -172 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 48 | V | 33.9 | Very low | 35.5 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | trans | -69.9 | 137.2 | 162.3 | -101.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 49 | D | 31.6 | Very low | 36.5 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | -164.9 | 157.6 | 120 | -124.4 | -23.2 | 0 | 0 | 0 | 112.1 | |||||
| 50 | D | 34.6 | Very low | 36.9 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -62.6 | 151.2 | -159.9 | -71.4 | -49.1 | 0 | 0 | 0 | 118.9 | ||||
| 51 | A | 32.8 | Very low | 38 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -170 | 99.4 | 131.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 52 | E | 34.3 | Very low | 39.3 | Very low | 196 Ų | 196 | 138.3 Ų | 138.3 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | trans | 38 | 120.5 | 134.9 | -71.1 | 174.9 | 140.5 | 0 | 0 | 121.5 | ||||
| 53 | G | 32.3 | Very low | 40.3 | Very low | 65 Ų | 65 | 135.5 Ų | 135.5 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | 95.3 | 96.3 | 118.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 54 | L | 37.7 | Very low | 41.5 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 91% | 0.906 | 75% | 0.751 | S | S | * | * | -177.5 | 129.9 | 94.4 | -118.2 | 82.5 | 0 | 0 | 0 | 110.2 | |||||
| 55 | Y | 42.2 | Very low | 42.2 | Very low | 219 Ų | 219 | 130.7 Ų | 130.7 | 86% | 0.859 | 74% | 0.739 | S | S | * | * | trans | -77.5 | 169.1 | 172.1 | -90.8 | -104.6 | 0 | 0 | 0 | 111.8 | ||||
| 56 | V | 43.5 | Very low | 43.2 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 85% | 0.848 | 72% | 0.719 | S | S | * | * | trans | 92.2 | 127.1 | 155.4 | -160.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 57 | A | 39.2 | Very low | 44.4 | Very low | 80 Ų | 80 | 124.6 Ų | 124.6 | 66% | 0.661 | 71% | 0.707 | S | S | * | * | cis | -130.2 | 134.6 | 25.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E59 | A57-E59 PolarHBondContact O-N 2.81Š| ||
| 58 | V | 47.3 | Very low | 45.4 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 61% | 0.606 | 71% | 0.709 | S | S | * | * | trans | -84.5 | 90.3 | 163.8 | -173 | 0 | 0 | 0 | 0 | 107.4 | R60 T67 | V58-R60 PolarHBondContact O-N 3.28Å; V58-T67 HydrophobicContact CG1-CG2 3.56Å | ||
| 59 | E | 53.3 | Low | 46.6 | Very low | 175 Ų | 175 | 132 Ų | 132 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 127.2 | 162.3 | -76.7 | -165.6 | 161.7 | 0 | 0 | 108.7 | A57 | A57-E59 PolarHBondContact O-N 2.81Š|
| 60 | R | 54.8 | Low | 47.8 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 59% | 0.592 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 142.8 | 179.8 | -64.9 | -176.1 | 179 | 169.7 | -1.7 | 109.4 | V58 P62 N65 T67 | V58-R60 PolarHBondContact O-N 3.28Å; R60-P62 WeakPolarHBondContact O-CD 3.46Å; R60-N65 WeakPolarHBondContact CB-OD1 3.43Å; R60-N65 WeakPolarHBondContact CD-OD1 3.37Å; R60-T67 HydrophobicContact CG-CG2 4.25Å |
| 61 | C | 58 | Low | 49.1 | Very low | 27 Ų | 27 | 136.7 Ų | 136.7 | 18% | 0.182 | 71% | 0.709 | C | S | . | * | P | Polyproline II helix | trans | -56.7 | 121.9 | 176 | 176.9 | 0 | 0 | 0 | 0 | 110 | L63 C64 N65 T66 | C61-L63 PolarHBondContact O-N 2.86Å; C61-C64 PolarHBondContact O-N 2.81Å; C61-C64 PolarHBondContact SG-SG 3.47Å; C61-N65 VanDerWaalsContact O-CA 3.28Å; C61-N65 WeakPolarHBondContact O-CA 3.32Å; C61-N65 PolarHBondContact O-N 3.17Å; C61-T66 PolarHBondContact N-O 2.74Å |
| 62 | P | 54.6 | Low | 50.6 | Low | 129 Ų | 129 | 136.2 Ų | 136.2 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -5.2 | -176 | 24.3 | -32.2 | 0 | 0 | 0 | 114 | R60 | R60-P62 WeakPolarHBondContact O-CD 3.46Š|
| 63 | L | 53.3 | Low | 52.3 | Low | 169 Ų | 169 | 130.2 Ų | 130.2 | 89% | 0.885 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | -29 | 177 | -65.8 | 171.3 | 0 | 0 | 0 | 114.4 | C61 | C61-L63 PolarHBondContact O-N 2.86Š|
| 64 | C | 55.2 | Low | 54.3 | Low | 75 Ų | 75 | 130.4 Ų | 130.4 | 51% | 0.507 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -135.4 | 4 | -175.5 | 64.3 | 0 | 0 | 0 | 0 | 114.7 | C61 T66 | C61-C64 PolarHBondContact O-N 2.81Å; C61-C64 PolarHBondContact SG-SG 3.47Å; C64-T66 PolarHBondContact O-N 3.31Å; C64-T66 PolarHBondContact SG-OG1 2.91Å |
| 65 | N | 52.2 | Low | 56.1 | Low | 101 Ų | 101 | 130.1 Ų | 130.1 | 54% | 0.54 | 66% | 0.662 | S | S | . | * | trans | 51.7 | 13.2 | 176 | -129.1 | 6.4 | 0 | 0 | 0 | 116.5 | R60 C61 | R60-N65 WeakPolarHBondContact CB-OD1 3.43Å; R60-N65 WeakPolarHBondContact CD-OD1 3.37Å; C61-N65 VanDerWaalsContact O-CA 3.28Å; C61-N65 WeakPolarHBondContact O-CA 3.32Å; C61-N65 PolarHBondContact O-N 3.17Å | ||
| 66 | T | 54.6 | Low | 57.5 | Low | 81 Ų | 81 | 121.4 Ų | 121.4 | 50% | 0.497 | 63% | 0.633 | S | S | . | * | trans | -86.4 | 144.6 | 177.5 | 47 | 0 | 0 | 0 | 0 | 110.9 | C61 C64 R68 | C61-T66 PolarHBondContact N-O 2.74Å; C64-T66 PolarHBondContact O-N 3.31Å; C64-T66 PolarHBondContact SG-OG1 2.91Å; T66-R68 VanDerWaalsContact C-N 3.28Å; T66-R68 PolarHBondContact O-N 3.34Å | ||
| 67 | T | 55 | Low | 59.1 | Low | 88 Ų | 88 | 118.6 Ų | 118.6 | 54% | 0.54 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -85.7 | 13.2 | -172.9 | 44.8 | 0 | 0 | 0 | 0 | 114.2 | V58 R60 | V58-T67 HydrophobicContact CG1-CG2 3.56Å; R60-T67 HydrophobicContact CG-CG2 4.25Å |
| 68 | R | 54 | Low | 60.8 | Low | 225 Ų | 225 | 123 Ų | 123 | 85% | 0.849 | 62% | 0.623 | S | S | * | * | trans | -103 | 26.6 | -164.4 | -70.7 | -166.3 | 178.1 | -147.1 | 2.2 | 116.5 | T66 | T66-R68 VanDerWaalsContact C-N 3.28Å; T66-R68 PolarHBondContact O-N 3.34Å | ||
| 69 | R | 57.2 | Low | 62.1 | Low | 177 Ų | 177 | 121.1 Ų | 121.1 | 67% | 0.668 | 61% | 0.614 | S | S | * | * | trans | -130.6 | 125.8 | 172.9 | -70.9 | -171.3 | 179.8 | -165.8 | 0.4 | 112.2 | ||||
| 70 | R | 58.1 | Low | 63.3 | Low | 245 Ų | 245 | 113 Ų | 113 | 93% | 0.925 | 58% | 0.578 | S | S | * | * | trans | -89 | 108.7 | 161.8 | -65.1 | -175.8 | -172.6 | -123.4 | 2.7 | 107.1 | ||||
| 71 | L | 61.1 | Low | 64.3 | Low | 156 Ų | 156 | 108.3 Ų | 108.3 | 82% | 0.817 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 123.6 | 175.2 | -67.2 | 168.6 | 0 | 0 | 0 | 108.8 | ||
| 72 | T | 65 | Low | 65.2 | Low | 83 Ų | 83 | 110.2 Ų | 110.2 | 51% | 0.509 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -87.6 | 126.9 | 174.5 | 31.8 | 0 | 0 | 0 | 0 | 110.5 | C76 F82 | T72-C76 HydrophobicContact CG2-CB 4.31Å; T72-F82 HydrophobicContact CG2-CB 3.85Å |
| 73 | C | 70.6 | Confident | 66 | Low | 69 Ų | 69 | 107.7 Ų | 107.7 | 47% | 0.466 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -76.3 | 164.2 | -179.7 | 73.8 | 0 | 0 | 0 | 0 | 111.8 | K75 C76 V77 | C73-K75 PolarHBondContact O-N 2.92Å; C73-K75 VanDerWaalsContact O-N 3.16Å; C73-C76 WeakPolarHBondContact O-CB 3.41Å; C73-C76 PolarHBondContact O-N 2.89Å; C73-V77 PolarHBondContact O-N 3.37Å; C73-V77 VanDerWaalsContact O-N 3.14Å |
| 74 | A | 74.4 | Confident | 66.6 | Low | 70 Ų | 70 | 106.7 Ų | 106.7 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -56.6 | -32.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V77 Q78 | A74-V77 PolarHBondContact O-N 3.12Å; A74-Q78 WeakPolarHBondContact O-CB 3.42Å; A74-Q78 WeakPolarHBondContact O-CG 3.49Å; A74-Q78 PolarHBondContact O-N 3.12Å |
| 75 | K | 73.8 | Confident | 66.8 | Low | 166 Ų | 166 | 111.2 Ų | 111.2 | 72% | 0.722 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.7 | -45.5 | 174.6 | -65.6 | -174.7 | 178.7 | -179.9 | 0 | 111.6 | C73 V77 Q78 S79 | C73-K75 PolarHBondContact O-N 2.92Å; C73-K75 VanDerWaalsContact O-N 3.16Å; K75-V77 VanDerWaalsContact C-N 3.31Å; K75-V77 PolarHBondContact O-N 3.43Å; K75-Q78 PolarHBondContact O-N 3.46Å; K75-S79 WeakPolarHBondContact O-CB 3.34Å; K75-S79 PolarHBondContact O-N 3.29Å; K75-S79 PolarHBondContact O-OG 2.77Å |
| 76 | C | 73 | Confident | 67.3 | Low | 37 Ų | 37 | 110.2 Ų | 110.2 | 25% | 0.25 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -63.6 | -34.5 | 176.5 | -67 | 0 | 0 | 0 | 0 | 112.5 | T72 C73 S79 G80 D81 | T72-C76 HydrophobicContact CG2-CB 4.31Å; C73-C76 WeakPolarHBondContact O-CB 3.41Å; C73-C76 PolarHBondContact O-N 2.89Å; C76-S79 WeakPolarHBondContact CA-OG 3.29Å; C76-S79 PolarHBondContact O-OG 3.34Å; C76-G80 CarbonylContact O-C 3.58Å; C76-G80 PolarHBondContact O-N 3.11Å; C76-G80 VanDerWaalsContact O-N 3.08Å; C76-D81 WeakPolarHBondContact CB-O 3.43Å; C76-D81 PolarHBondContact O-N 2.92Å |
| 77 | V | 76.2 | Confident | 67.5 | Low | 81 Ų | 81 | 108.8 Ų | 108.8 | 49% | 0.491 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.8 | -44.3 | 175 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | C73 A74 K75 G80 | C73-V77 PolarHBondContact O-N 3.37Å; C73-V77 VanDerWaalsContact O-N 3.14Å; A74-V77 PolarHBondContact O-N 3.12Å; K75-V77 VanDerWaalsContact C-N 3.31Å; K75-V77 PolarHBondContact O-N 3.43Å; V77-G80 PolarHBondContact O-N 3.35Å |
| 78 | Q | 75.2 | Confident | 67.9 | Low | 171 Ų | 171 | 114.7 Ų | 114.7 | 80% | 0.799 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.3 | -37.1 | 178.5 | -72.9 | 173.7 | 3.9 | 0 | 0 | 112.6 | A74 K75 G80 | A74-Q78 WeakPolarHBondContact O-CB 3.42Å; A74-Q78 WeakPolarHBondContact O-CG 3.49Å; A74-Q78 PolarHBondContact O-N 3.12Å; K75-Q78 PolarHBondContact O-N 3.46Å; Q78-G80 PolarHBondContact O-N 3.41Å |
| 79 | S | 74.2 | Confident | 68.4 | Low | 61 Ų | 61 | 107 Ų | 107 | 43% | 0.427 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -6.7 | 174.3 | 69 | 0 | 0 | 0 | 0 | 113.2 | K75 C76 D81 I94 | K75-S79 WeakPolarHBondContact O-CB 3.34Å; K75-S79 PolarHBondContact O-N 3.29Å; K75-S79 PolarHBondContact O-OG 2.77Å; C76-S79 WeakPolarHBondContact CA-OG 3.29Å; C76-S79 PolarHBondContact O-OG 3.34Å; S79-D81 PolarHBondContact O-N 3.33Å; S79-I94 WeakPolarHBondContact O-CD1 3.42Å |
| 80 | G | 77.9 | Confident | 68.9 | Low | 6 Ų | 6 | 109.2 Ų | 109.2 | 6% | 0.062 | 54% | 0.542 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 14.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | C76 V77 Q78 F82 F93 I94 | C76-G80 CarbonylContact O-C 3.58Å; C76-G80 PolarHBondContact O-N 3.11Å; C76-G80 VanDerWaalsContact O-N 3.08Å; V77-G80 PolarHBondContact O-N 3.35Å; Q78-G80 PolarHBondContact O-N 3.41Å; G80-F82 VanDerWaalsContact C-N 3.29Å; G80-F82 PolarHBondContact O-N 2.84Å; G80-F82 VanDerWaalsContact O-N 3.15Å; G80-F93 PolarHBondContact O-N 3.17Å; G80-I94 PolarHBondContact O-N 2.93Å |
| 81 | D | 76.9 | Confident | 69.7 | Low | 57 Ų | 57 | 100.4 Ų | 100.4 | 31% | 0.305 | 51% | 0.511 | S | S | . | . | trans | -88.4 | 64.3 | 179.5 | -167.2 | 4.4 | 0 | 0 | 0 | 111.2 | C76 S79 R92 | C76-D81 WeakPolarHBondContact CB-O 3.43Å; C76-D81 PolarHBondContact O-N 2.92Å; S79-D81 PolarHBondContact O-N 3.33Å; D81-R92 WeakPolarHBondContact OD1-CD 3.5Å; D81-R92 IonicContact OD1-CZ 3.26Å; D81-R92 IonicContact OD1-NE 2.74Å; D81-R92 PolarHBondContact OD1-NE 2.83Å; D81-R92 IonicContact OD1-NH1 2.81Å; D81-R92 PolarHBondContact OD1-NH1 3.27Å; D81-R92 IonicContact OD1-NH2 3.28Å; D81-R92 IonicContact OD2-CZ 3.75Å; D81-R92 IonicContact OD2-NH1 3.62Å; D81-R92 PolarHBondContact OD2-NH1 3.44Å | ||
| 82 | F | 76.4 | Confident | 70.7 | Confident | 68 Ų | 68 | 98.5 Ų | 98.5 | 30% | 0.298 | 49% | 0.493 | S | S | . | . | trans | -143 | 154.2 | 174.4 | 66.4 | -88.5 | 0 | 0 | 0 | 110.4 | T72 G80 R92 F93 | T72-F82 HydrophobicContact CG2-CB 3.85Å; G80-F82 VanDerWaalsContact C-N 3.29Å; G80-F82 PolarHBondContact O-N 2.84Å; G80-F82 VanDerWaalsContact O-N 3.15Å; F82-R92 WeakPolarHBondContact O-CA 3.36Å; F82-F93 HydrophobicContact CD1-CB 4.25Å; F82-F93 HydrophobicContact CD2-CB 4.44Å; F82-F93 HydrophobicContact CE1-CB 3.74Å; F82-F93 HydrophobicContact CE1-CD1 4.12Å; F82-F93 HydrophobicContact CE1-CG 4.03Å; F82-F93 HydrophobicContact CE2-CB 3.93Å; F82-F93 HydrophobicContact CE2-CG 4.4Å; F82-F93 HydrophobicContact CZ-CB 3.56Å; F82-F93 HydrophobicContact CZ-CD1 4.13Å; F82-F93 HydrophobicContact CZ-CD2 4.18Å; F82-F93 AromaticContact CZ-CG 3.69Å; F82-F93 HydrophobicContact CZ-CG 3.69Å; F82-F93 PolarHBondContact O-N 3.18Å | ||
| 83 | V | 71.6 | Confident | 71.5 | Confident | 76 Ų | 76 | 99.4 Ų | 99.4 | 46% | 0.461 | 49% | 0.49 | S | S | . | . | trans | -120.2 | 161.7 | -176.5 | -64.6 | 0 | 0 | 0 | 0 | 110.5 | R90 R92 | V83-R90 WeakPolarHBondContact CG1-O 3.44Å; V83-R92 HydrophobicContact CG1-CG 3.94Å | ||
| 84 | Y | 66.6 | Low | 72.1 | Confident | 147 Ų | 147 | 100 Ų | 100 | 58% | 0.576 | 49% | 0.487 | S | S | * | . | trans | -63.8 | 137.7 | 175.4 | -89.9 | -90.1 | 0 | 0 | 0 | 111.2 | D86 G87 | Y84-D86 VanDerWaalsContact C-N 3.27Å; Y84-D86 PolarHBondContact O-N 2.9Å; Y84-G87 PolarHBondContact O-N 3.27Å | ||
| 85 | F | 59.9 | Low | 72.6 | Confident | 171 Ų | 171 | 99.4 Ų | 99.4 | 75% | 0.75 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -27.1 | -172.3 | -176.4 | -94.8 | 0 | 0 | 0 | 114.2 | G87 | F85-G87 VanDerWaalsContact C-N 3.3Å; F85-G87 PolarHBondContact O-N 3.47Å |
| 86 | D | 61.1 | Low | 73.2 | Confident | 79 Ų | 79 | 95.8 Ų | 95.8 | 42% | 0.422 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 2.4 | -172.5 | 71.9 | 0.4 | 0 | 0 | 0 | 114.4 | Y84 R88 | Y84-D86 VanDerWaalsContact C-N 3.27Å; Y84-D86 PolarHBondContact O-N 2.9Å; D86-R88 PolarHBondContact O-N 3.49Å; D86-R88 VanDerWaalsContact O-N 3.08Å; D86-R88 WeakPolarHBondContact OD1-CB 3.09Å; D86-R88 PolarHBondContact OD1-N 2.95Å; D86-R88 VanDerWaalsContact OD1-N 3.07Å; D86-R88 IonicContact OD2-CZ 3.1Å; D86-R88 IonicContact OD2-NE 3.69Å; D86-R88 PolarHBondContact OD2-NE 2.93Å; D86-R88 IonicContact OD2-NH2 2.58Å; D86-R88 PolarHBondContact OD2-NH2 3.31Å |
| 87 | G | 59 | Low | 73.8 | Confident | 52 Ų | 52 | 100.8 Ų | 100.8 | 54% | 0.536 | 48% | 0.476 | S | S | . | . | S | Bend | trans | 67.5 | 3.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | Y84 F85 D89 | Y84-G87 PolarHBondContact O-N 3.27Å; F85-G87 VanDerWaalsContact C-N 3.3Å; F85-G87 PolarHBondContact O-N 3.47Å; G87-D89 VanDerWaalsContact C-N 3.35Å |
| 88 | R | 63.5 | Low | 74.4 | Confident | 212 Ų | 212 | 101.2 Ų | 101.2 | 80% | 0.8 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -75.4 | -26.7 | 177.3 | -74.4 | -170.6 | -83.7 | -143.8 | -7.3 | 112.7 | D86 | D86-R88 PolarHBondContact O-N 3.49Å; D86-R88 VanDerWaalsContact O-N 3.08Å; D86-R88 WeakPolarHBondContact OD1-CB 3.09Å; D86-R88 PolarHBondContact OD1-N 2.95Å; D86-R88 VanDerWaalsContact OD1-N 3.07Å; D86-R88 IonicContact OD2-CZ 3.1Å; D86-R88 IonicContact OD2-NE 3.69Å; D86-R88 PolarHBondContact OD2-NE 2.93Å; D86-R88 IonicContact OD2-NH2 2.58Å; D86-R88 PolarHBondContact OD2-NH2 3.31Å |
| 89 | D | 65.2 | Low | 75 | Confident | 63 Ų | 63 | 99.8 Ų | 99.8 | 34% | 0.337 | 46% | 0.46 | S | S | . | . | trans | -129.6 | 108.4 | 177.8 | -145.5 | -8.2 | 0 | 0 | 0 | 109.2 | G87 E91 | G87-D89 VanDerWaalsContact C-N 3.35Å; D89-E91 VanDerWaalsContact C-N 3.29Å | ||
| 90 | R | 67.8 | Low | 75.7 | Confident | 224 Ų | 224 | 101.4 Ų | 101.4 | 85% | 0.845 | 46% | 0.464 | S | S | * | . | trans | -86.1 | -3.2 | -178.7 | -64.9 | -173.2 | 177.6 | -169.2 | 1.3 | 112.6 | V83 | V83-R90 WeakPolarHBondContact CG1-O 3.44Š| ||
| 91 | E | 75.4 | Confident | 76.3 | Confident | 59 Ų | 59 | 104.4 Ų | 104.4 | 28% | 0.276 | 48% | 0.484 | S | S | . | . | trans | -72.4 | 132.8 | 179.3 | -170.6 | 174.2 | -143.2 | 0 | 0 | 110.4 | D89 D95 R99 | D89-E91 VanDerWaalsContact C-N 3.29Å; E91-D95 HydrophobicContact CG-CB 3.68Å; E91-R99 IonicContact OE2-NH1 3.46Å | ||
| 92 | R | 80.4 | Confident | 77 | Confident | 116 Ų | 116 | 108 Ų | 108 | 44% | 0.438 | 49% | 0.493 | S | S | . | . | trans | -75.1 | 151.1 | 179.1 | -57.4 | 162.3 | 176.4 | -145.5 | -4.5 | 109.3 | D81 F82 V83 I94 D95 K96 | D81-R92 WeakPolarHBondContact OD1-CD 3.5Å; D81-R92 IonicContact OD1-CZ 3.26Å; D81-R92 IonicContact OD1-NE 2.74Å; D81-R92 PolarHBondContact OD1-NE 2.83Å; D81-R92 IonicContact OD1-NH1 2.81Å; D81-R92 PolarHBondContact OD1-NH1 3.27Å; D81-R92 IonicContact OD1-NH2 3.28Å; D81-R92 IonicContact OD2-CZ 3.75Å; D81-R92 IonicContact OD2-NH1 3.62Å; D81-R92 PolarHBondContact OD2-NH1 3.44Å; F82-R92 WeakPolarHBondContact O-CA 3.36Å; V83-R92 HydrophobicContact CG1-CG 3.94Å; R92-I94 HydrophobicContact CB-CG2 3.88Å; R92-I94 PolarHBondContact O-N 3.32Å; R92-D95 VanDerWaalsContact CB-OD2 3.27Å; R92-D95 WeakPolarHBondContact CB-OD2 3.42Å; R92-D95 PolarHBondContact N-OD2 3.3Å; R92-D95 VanDerWaalsContact N-OD2 3.16Å; R92-D95 WeakPolarHBondContact O-CB 3.38Å; R92-D95 PolarHBondContact O-N 2.92Å; R92-K96 PolarHBondContact O-N 3.49Å; R92-K96 VanDerWaalsContact O-N 3.1Å | ||
| 93 | F | 83.4 | Confident | 77.7 | Confident | 103 Ų | 103 | 109.3 Ų | 109.3 | 45% | 0.452 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.5 | -35.7 | 178.6 | 177.9 | -99.2 | 0 | 0 | 0 | 112.7 | G80 F82 K96 K97 | G80-F93 PolarHBondContact O-N 3.17Å; F82-F93 HydrophobicContact CD1-CB 4.25Å; F82-F93 HydrophobicContact CD2-CB 4.44Å; F82-F93 HydrophobicContact CE1-CB 3.74Å; F82-F93 HydrophobicContact CE1-CD1 4.12Å; F82-F93 HydrophobicContact CE1-CG 4.03Å; F82-F93 HydrophobicContact CE2-CB 3.93Å; F82-F93 HydrophobicContact CE2-CG 4.4Å; F82-F93 HydrophobicContact CZ-CB 3.56Å; F82-F93 HydrophobicContact CZ-CD1 4.13Å; F82-F93 HydrophobicContact CZ-CD2 4.18Å; F82-F93 AromaticContact CZ-CG 3.69Å; F82-F93 HydrophobicContact CZ-CG 3.69Å; F82-F93 PolarHBondContact O-N 3.18Å; F93-K96 PolarHBondContact O-N 2.8Å; F93-K97 HydrophobicContact CE1-CD 4.49Å; F93-K97 WeakPolarHBondContact O-CB 3.32Å; F93-K97 PolarHBondContact O-N 2.87Å |
| 94 | I | 83.3 | Confident | 78.7 | Confident | 80 Ų | 80 | 111.2 Ų | 111.2 | 41% | 0.41 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 173.5 | -172.1 | 164.5 | 0 | 0 | 0 | 112.1 | S79 G80 R92 K96 K97 E98 | S79-I94 WeakPolarHBondContact O-CD1 3.42Å; G80-I94 PolarHBondContact O-N 2.93Å; R92-I94 HydrophobicContact CB-CG2 3.88Å; R92-I94 PolarHBondContact O-N 3.32Å; I94-K96 PolarHBondContact O-N 3.48Å; I94-K97 PolarHBondContact O-N 2.94Å; I94-E98 WeakPolarHBondContact O-CB 3.41Å; I94-E98 PolarHBondContact O-N 2.96Å |
| 95 | D | 83.9 | Confident | 80 | Confident | 58 Ų | 58 | 107.5 Ų | 107.5 | 31% | 0.31 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 178.6 | -53.5 | -31.7 | 0 | 0 | 0 | 110.8 | E91 R92 E98 R99 | E91-D95 HydrophobicContact CG-CB 3.68Å; R92-D95 VanDerWaalsContact CB-OD2 3.27Å; R92-D95 WeakPolarHBondContact CB-OD2 3.42Å; R92-D95 PolarHBondContact N-OD2 3.3Å; R92-D95 VanDerWaalsContact N-OD2 3.16Å; R92-D95 WeakPolarHBondContact O-CB 3.38Å; R92-D95 PolarHBondContact O-N 2.92Å; D95-E98 PolarHBondContact O-N 3.47Å; D95-R99 WeakPolarHBondContact O-CB 3.44Å; D95-R99 PolarHBondContact O-N 3.16Å |
| 96 | K | 85.7 | Confident | 81.5 | Confident | 90 Ų | 90 | 105.1 Ų | 105.1 | 39% | 0.391 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -39.4 | 176.1 | -166.9 | 168.9 | -171.1 | 161.4 | 0 | 112.6 | R92 F93 I94 R99 L100 | R92-K96 PolarHBondContact O-N 3.49Å; R92-K96 VanDerWaalsContact O-N 3.1Å; F93-K96 PolarHBondContact O-N 2.8Å; I94-K96 PolarHBondContact O-N 3.48Å; K96-R99 PolarHBondContact O-N 3.22Å; K96-L100 PolarHBondContact O-N 3.34Å |
| 97 | K | 87 | Confident | 83 | Confident | 142 Ų | 142 | 106.8 Ų | 106.8 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.7 | -40.6 | 174.5 | -173.9 | -179.5 | 176.9 | -176 | 0 | 111.1 | F93 I94 L100 S101 | F93-K97 HydrophobicContact CE1-CD 4.49Å; F93-K97 WeakPolarHBondContact O-CB 3.32Å; F93-K97 PolarHBondContact O-N 2.87Å; I94-K97 PolarHBondContact O-N 2.94Å; K97-L100 PolarHBondContact O-N 3.36Å; K97-S101 PolarHBondContact O-N 2.98Å |
| 98 | E | 87.4 | Confident | 84.6 | Confident | 90 Ų | 90 | 109.5 Ų | 109.5 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 174.9 | -160.6 | -167.4 | 170.8 | 0 | 0 | 111.2 | I94 D95 L100 S101 R102 | I94-E98 WeakPolarHBondContact O-CB 3.41Å; I94-E98 PolarHBondContact O-N 2.96Å; D95-E98 PolarHBondContact O-N 3.47Å; E98-L100 PolarHBondContact O-N 3.34Å; E98-S101 WeakPolarHBondContact O-CB 3.35Å; E98-S101 PolarHBondContact O-N 3.48Å; E98-R102 VanDerWaalsContact CD-NH1 3.32Å; E98-R102 WeakPolarHBondContact O-CG 3.39Å; E98-R102 PolarHBondContact O-N 3Å; E98-R102 IonicContact OE1-CZ 3.64Å; E98-R102 VanDerWaalsContact OE1-CZ 3.26Å; E98-R102 IonicContact OE1-NH1 2.61Å; E98-R102 PolarHBondContact OE1-NH1 3.1Å; E98-R102 IonicContact OE1-NH2 2.86Å; E98-R102 PolarHBondContact OE1-NH2 3.01Å; E98-R102 IonicContact OE2-CZ 3.12Å; E98-R102 IonicContact OE2-NH1 3.75Å; E98-R102 IonicContact OE2-NH2 3.21Å; E98-R102 PolarHBondContact OE2-NH2 3.29Å |
| 99 | R | 88.8 | Confident | 86 | Confident | 142 Ų | 142 | 104.9 Ų | 104.9 | 54% | 0.536 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 172.7 | -179.8 | 178.3 | 173 | -178.1 | 0.1 | 112.1 | E91 D95 K96 S101 R102 L103 | E91-R99 IonicContact OE2-NH1 3.46Å; D95-R99 WeakPolarHBondContact O-CB 3.44Å; D95-R99 PolarHBondContact O-N 3.16Å; K96-R99 PolarHBondContact O-N 3.22Å; R99-S101 VanDerWaalsContact C-N 3.33Å; R99-R102 PolarHBondContact O-N 3.4Å; R99-L103 HydrophobicContact CG-CD1 4.31Å; R99-L103 WeakPolarHBondContact O-CG 3.31Å; R99-L103 PolarHBondContact O-N 2.92Å |
| 100 | L | 89.6 | Confident | 87.3 | Confident | 94 Ų | 94 | 108 Ų | 108 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 174.2 | 179.5 | 63 | 0 | 0 | 0 | 111.6 | K96 K97 E98 L103 K104 | K96-L100 PolarHBondContact O-N 3.34Å; K97-L100 PolarHBondContact O-N 3.36Å; E98-L100 PolarHBondContact O-N 3.34Å; L100-L103 PolarHBondContact O-N 3.22Å; L100-K104 WeakPolarHBondContact O-CG 3.27Å; L100-K104 PolarHBondContact O-N 3.48Å |
| 101 | S | 90.2 | Very high | 88.4 | Confident | 70 Ų | 70 | 102.6 Ų | 102.6 | 49% | 0.49 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 175 | -163 | 0 | 0 | 0 | 0 | 111.4 | K97 E98 R99 L103 K104 S105 | K97-S101 PolarHBondContact O-N 2.98Å; E98-S101 WeakPolarHBondContact O-CB 3.35Å; E98-S101 PolarHBondContact O-N 3.48Å; R99-S101 VanDerWaalsContact C-N 3.33Å; S101-L103 VanDerWaalsContact C-N 3.34Å; S101-L103 PolarHBondContact O-N 3Å; S101-K104 PolarHBondContact O-N 3.47Å; S101-S105 PolarHBondContact O-N 3.36Å |
| 102 | R | 90.5 | Very high | 89.3 | Confident | 132 Ų | 132 | 106.6 Ų | 106.6 | 50% | 0.498 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 174.9 | -74.9 | -170.4 | -97.4 | -109.2 | -1.8 | 112 | E98 R99 S105 K106 | E98-R102 VanDerWaalsContact CD-NH1 3.32Å; E98-R102 WeakPolarHBondContact O-CG 3.39Å; E98-R102 PolarHBondContact O-N 3Å; E98-R102 IonicContact OE1-CZ 3.64Å; E98-R102 VanDerWaalsContact OE1-CZ 3.26Å; E98-R102 IonicContact OE1-NH1 2.61Å; E98-R102 PolarHBondContact OE1-NH1 3.1Å; E98-R102 IonicContact OE1-NH2 2.86Å; E98-R102 PolarHBondContact OE1-NH2 3.01Å; E98-R102 IonicContact OE2-CZ 3.12Å; E98-R102 IonicContact OE2-NH1 3.75Å; E98-R102 IonicContact OE2-NH2 3.21Å; E98-R102 PolarHBondContact OE2-NH2 3.29Å; R99-R102 PolarHBondContact O-N 3.4Å; R102-S105 PolarHBondContact O-N 2.95Å; R102-K106 WeakPolarHBondContact O-CG 3.42Å; R102-K106 PolarHBondContact O-N 3.39Å |
| 103 | L | 92 | Very high | 89.8 | Confident | 96 Ų | 96 | 106.2 Ų | 106.2 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.7 | -38.1 | 177.3 | -72.8 | 172 | 0 | 0 | 0 | 112.5 | R99 L100 S101 K106 Q107 | R99-L103 HydrophobicContact CG-CD1 4.31Å; R99-L103 WeakPolarHBondContact O-CG 3.31Å; R99-L103 PolarHBondContact O-N 2.92Å; L100-L103 PolarHBondContact O-N 3.22Å; S101-L103 VanDerWaalsContact C-N 3.34Å; S101-L103 PolarHBondContact O-N 3Å; L103-K106 PolarHBondContact O-N 2.98Å; L103-Q107 WeakPolarHBondContact O-CB 3.12Å; L103-Q107 PolarHBondContact O-N 3.27Å |
| 104 | K | 92.6 | Very high | 90.2 | Very high | 116 Ų | 116 | 105.7 Ų | 105.7 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 173.9 | -75.7 | -177.2 | 176 | -173.6 | 0 | 111.9 | L100 S101 K106 Q107 E108 | L100-K104 WeakPolarHBondContact O-CG 3.27Å; L100-K104 PolarHBondContact O-N 3.48Å; S101-K104 PolarHBondContact O-N 3.47Å; K104-K106 VanDerWaalsContact C-N 3.34Å; K104-K106 PolarHBondContact O-N 2.9Å; K104-Q107 WeakPolarHBondContact O-CB 3.46Å; K104-Q107 PolarHBondContact O-N 2.95Å; K104-Q107 VanDerWaalsContact O-N 3.17Å; K104-E108 WeakPolarHBondContact O-CG 3.44Å; K104-E108 PolarHBondContact O-N 3.45Å |
| 105 | S | 92.8 | Very high | 90.5 | Very high | 69 Ų | 69 | 107.7 Ų | 107.7 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 173.3 | -74 | 0 | 0 | 0 | 0 | 112.1 | S101 R102 Q107 E108 E109 | S101-S105 PolarHBondContact O-N 3.36Å; R102-S105 PolarHBondContact O-N 2.95Å; S105-Q107 VanDerWaalsContact C-N 3.34Å; S105-Q107 PolarHBondContact O-N 3.17Å; S105-E108 PolarHBondContact O-N 2.86Å; S105-E109 WeakPolarHBondContact O-CB 3.47Å; S105-E109 PolarHBondContact O-N 3.45Å |
| 106 | K | 91.9 | Very high | 90.9 | Very high | 120 Ų | 120 | 113.3 Ų | 113.3 | 52% | 0.522 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 174.4 | -75.4 | -176.9 | 177.5 | -172.5 | 0 | 112.8 | R102 L103 K104 E109 F110 | R102-K106 WeakPolarHBondContact O-CG 3.42Å; R102-K106 PolarHBondContact O-N 3.39Å; L103-K106 PolarHBondContact O-N 2.98Å; K104-K106 VanDerWaalsContact C-N 3.34Å; K104-K106 PolarHBondContact O-N 2.9Å; K106-E109 PolarHBondContact O-N 3.35Å; K106-F110 HydrophobicContact CB-CE2 4.49Å; K106-F110 WeakPolarHBondContact O-CD2 3.41Å; K106-F110 WeakPolarHBondContact O-CG 3.33Å; K106-F110 PolarHBondContact O-N 3.34Å |
| 107 | Q | 92.9 | Very high | 91.1 | Very high | 115 Ų | 115 | 112.8 Ų | 112.8 | 54% | 0.537 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 174.9 | -178.4 | -177.4 | 11.5 | 0 | 0 | 111.4 | L103 K104 S105 E109 F110 Q111 | L103-Q107 WeakPolarHBondContact O-CB 3.12Å; L103-Q107 PolarHBondContact O-N 3.27Å; K104-Q107 WeakPolarHBondContact O-CB 3.46Å; K104-Q107 PolarHBondContact O-N 2.95Å; K104-Q107 VanDerWaalsContact O-N 3.17Å; S105-Q107 VanDerWaalsContact C-N 3.34Å; S105-Q107 PolarHBondContact O-N 3.17Å; Q107-E109 VanDerWaalsContact C-N 3.33Å; Q107-F110 PolarHBondContact O-N 2.89Å; Q107-Q111 WeakPolarHBondContact O-CB 3.23Å; Q107-Q111 WeakPolarHBondContact O-CG 3.34Å; Q107-Q111 PolarHBondContact O-N 3.5Å |
| 108 | E | 93 | Very high | 91.4 | Very high | 108 Ų | 108 | 110.9 Ų | 110.9 | 51% | 0.505 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.5 | -38 | 175.6 | -71.5 | 175.9 | -172.5 | 0 | 0 | 111.9 | K104 S105 Q111 K112 | K104-E108 WeakPolarHBondContact O-CG 3.44Å; K104-E108 PolarHBondContact O-N 3.45Å; S105-E108 PolarHBondContact O-N 2.86Å; E108-Q111 PolarHBondContact O-N 3.32Å; E108-K112 WeakPolarHBondContact O-CG 3.35Å; E108-K112 PolarHBondContact O-N 3.08Å |
| 109 | E | 93.1 | Very high | 91.7 | Very high | 116 Ų | 116 | 111.1 Ų | 111.1 | 54% | 0.542 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.6 | -49.2 | 175.4 | -168.6 | 170.4 | -155.6 | 0 | 0 | 111.3 | S105 K106 Q107 Q111 K112 E113 | S105-E109 WeakPolarHBondContact O-CB 3.47Å; S105-E109 PolarHBondContact O-N 3.45Å; K106-E109 PolarHBondContact O-N 3.35Å; Q107-E109 VanDerWaalsContact C-N 3.33Å; E109-Q111 VanDerWaalsContact C-N 3.32Å; E109-Q111 PolarHBondContact O-N 3.41Å; E109-K112 WeakPolarHBondContact O-CB 3.4Å; E109-K112 PolarHBondContact O-N 3.04Å; E109-K112 VanDerWaalsContact O-N 3.12Å; E109-E113 PolarHBondContact O-N 3.41Å |
| 110 | F | 92.7 | Very high | 91.8 | Very high | 129 Ų | 129 | 106.3 Ų | 106.3 | 57% | 0.566 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.4 | -38 | 174.3 | -74.2 | -49.3 | 0 | 0 | 0 | 112.7 | K106 Q107 K112 E113 V114 | K106-F110 HydrophobicContact CB-CE2 4.49Å; K106-F110 WeakPolarHBondContact O-CD2 3.41Å; K106-F110 WeakPolarHBondContact O-CG 3.33Å; K106-F110 PolarHBondContact O-N 3.34Å; Q107-F110 PolarHBondContact O-N 2.89Å; F110-K112 VanDerWaalsContact C-N 3.33Å; F110-K112 PolarHBondContact O-N 2.88Å; F110-E113 PolarHBondContact O-N 2.86Å; F110-V114 WeakPolarHBondContact O-CB 3.26Å; F110-V114 VanDerWaalsContact O-CG2 3.26Å; F110-V114 WeakPolarHBondContact O-CG2 3.46Å; F110-V114 PolarHBondContact O-N 3.35Å |
| 111 | Q | 90.7 | Very high | 92 | Very high | 109 Ų | 109 | 107.9 Ų | 107.9 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 174.5 | -79.1 | 178.1 | -12.2 | 0 | 0 | 111.8 | Q107 E108 E109 V114 L115 | Q107-Q111 WeakPolarHBondContact O-CB 3.23Å; Q107-Q111 WeakPolarHBondContact O-CG 3.34Å; Q107-Q111 PolarHBondContact O-N 3.5Å; E108-Q111 PolarHBondContact O-N 3.32Å; E109-Q111 VanDerWaalsContact C-N 3.32Å; E109-Q111 PolarHBondContact O-N 3.41Å; Q111-V114 PolarHBondContact O-N 2.91Å; Q111-L115 VanDerWaalsContact O-CG 3.31Å; Q111-L115 WeakPolarHBondContact O-CG 3.31Å; Q111-L115 PolarHBondContact O-N 3.07Å |
| 112 | K | 93 | Very high | 92.1 | Very high | 144 Ų | 144 | 111.4 Ų | 111.4 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.2 | -42.2 | 175.2 | -72.8 | 170.6 | -176.4 | 170.5 | 0 | 111.9 | E108 E109 F110 L115 K116 | E108-K112 WeakPolarHBondContact O-CG 3.35Å; E108-K112 PolarHBondContact O-N 3.08Å; E109-K112 WeakPolarHBondContact O-CB 3.4Å; E109-K112 PolarHBondContact O-N 3.04Å; E109-K112 VanDerWaalsContact O-N 3.12Å; F110-K112 VanDerWaalsContact C-N 3.33Å; F110-K112 PolarHBondContact O-N 2.88Å; K112-L115 PolarHBondContact O-N 3.23Å; K112-K116 VanDerWaalsContact O-CB 3.32Å; K112-K116 WeakPolarHBondContact O-CB 3.44Å; K112-K116 PolarHBondContact O-N 3.37Å |
| 113 | E | 91.6 | Very high | 92.4 | Very high | 108 Ų | 108 | 108.6 Ų | 108.6 | 51% | 0.505 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 176.5 | -73.2 | -171.7 | 158 | 0 | 0 | 112.2 | E109 F110 K116 A117 | E109-E113 PolarHBondContact O-N 3.41Å; F110-E113 PolarHBondContact O-N 2.86Å; E113-K116 PolarHBondContact O-N 2.86Å; E113-A117 WeakPolarHBondContact O-CB 3.35Å; E113-A117 PolarHBondContact O-N 2.93Å |
| 114 | V | 91.7 | Very high | 92.5 | Very high | 91 Ų | 91 | 107 Ų | 107 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 176.4 | 170 | 0 | 0 | 0 | 0 | 111.2 | F110 Q111 K116 A117 M118 | F110-V114 WeakPolarHBondContact O-CB 3.26Å; F110-V114 VanDerWaalsContact O-CG2 3.26Å; F110-V114 WeakPolarHBondContact O-CG2 3.46Å; F110-V114 PolarHBondContact O-N 3.35Å; Q111-V114 PolarHBondContact O-N 2.91Å; V114-K116 VanDerWaalsContact C-N 3.34Å; V114-K116 PolarHBondContact O-N 3.44Å; V114-A117 PolarHBondContact O-N 3.22Å; V114-M118 HydrophobicContact CG1-CG 4.38Å; V114-M118 WeakPolarHBondContact O-CB 3.46Å; V114-M118 VanDerWaalsContact O-CG 3.23Å; V114-M118 WeakPolarHBondContact O-CG 3.48Å; V114-M118 PolarHBondContact O-N 3.42Å |
| 115 | L | 89.8 | Confident | 92.7 | Very high | 123 Ų | 123 | 104 Ų | 104 | 64% | 0.644 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.7 | -44 | 175.3 | -72.8 | 171.9 | 0 | 0 | 0 | 111.4 | Q111 K112 A117 M118 E119 | Q111-L115 VanDerWaalsContact O-CG 3.31Å; Q111-L115 WeakPolarHBondContact O-CG 3.31Å; Q111-L115 PolarHBondContact O-N 3.07Å; K112-L115 PolarHBondContact O-N 3.23Å; L115-A117 PolarHBondContact O-N 3.31Å; L115-M118 PolarHBondContact O-N 2.88Å; L115-E119 PolarHBondContact O-N 3.36Å |
| 116 | K | 91.8 | Very high | 92.9 | Very high | 175 Ų | 175 | 104.3 Ų | 104.3 | 76% | 0.761 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -39.4 | 177.6 | -169.2 | 178.9 | -178.9 | -176.7 | 0 | 112.4 | K112 E113 V114 M118 | K112-K116 VanDerWaalsContact O-CB 3.32Å; K112-K116 WeakPolarHBondContact O-CB 3.44Å; K112-K116 PolarHBondContact O-N 3.37Å; E113-K116 PolarHBondContact O-N 2.86Å; V114-K116 VanDerWaalsContact C-N 3.34Å; V114-K116 PolarHBondContact O-N 3.44Å; K116-M118 VanDerWaalsContact C-N 3.34Å |
| 117 | A | 90.4 | Very high | 93.1 | Very high | 79 Ų | 79 | 102.9 Ų | 102.9 | 65% | 0.653 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.6 | -33.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E113 V114 L115 | E113-A117 WeakPolarHBondContact O-CB 3.35Å; E113-A117 PolarHBondContact O-N 2.93Å; V114-A117 PolarHBondContact O-N 3.22Å; L115-A117 PolarHBondContact O-N 3.31Å |
| 118 | M | 92.7 | Very high | 93.3 | Very high | 103 Ų | 103 | 104.7 Ų | 104.7 | 51% | 0.507 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -77.8 | -27.5 | 178.8 | -74.9 | -68.1 | -65.9 | 0 | 0 | 113.7 | V114 L115 K116 G120 K121 W122 | V114-M118 HydrophobicContact CG1-CG 4.38Å; V114-M118 WeakPolarHBondContact O-CB 3.46Å; V114-M118 VanDerWaalsContact O-CG 3.23Å; V114-M118 WeakPolarHBondContact O-CG 3.48Å; V114-M118 PolarHBondContact O-N 3.42Å; L115-M118 PolarHBondContact O-N 2.88Å; K116-M118 VanDerWaalsContact C-N 3.34Å; M118-G120 VanDerWaalsContact C-N 3.35Å; M118-G120 PolarHBondContact O-N 2.9Å; M118-K121 PolarHBondContact O-N 2.92Å; M118-K121 VanDerWaalsContact O-N 3.11Å; M118-W122 PolarHBondContact O-N 3.46Å |
| 119 | E | 93.3 | Very high | 93.5 | Very high | 94 Ų | 94 | 108.7 Ų | 108.7 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -54.6 | -46.8 | -178.5 | -172.5 | 60.3 | -144.1 | 0 | 0 | 112.3 | L115 K121 W122 I123 | L115-E119 PolarHBondContact O-N 3.36Å; E119-K121 VanDerWaalsContact C-N 3.31Å; E119-K121 PolarHBondContact O-N 3.01Å; E119-W122 WeakPolarHBondContact O-CB 3.31Å; E119-W122 PolarHBondContact O-N 2.92Å; E119-W122 VanDerWaalsContact O-N 3.17Å; E119-I123 HydrophobicContact CG-CD1 4.11Å; E119-I123 WeakPolarHBondContact O-CG1 3.3Å; E119-I123 PolarHBondContact O-N 3.27Å |
| 120 | G | 91.9 | Very high | 93.7 | Very high | 41 Ų | 41 | 108.6 Ų | 108.6 | 42% | 0.423 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M118 T124 | M118-G120 VanDerWaalsContact C-N 3.35Å; M118-G120 PolarHBondContact O-N 2.9Å; G120-T124 WeakPolarHBondContact O-CB 3.4Å; G120-T124 PolarHBondContact O-N 2.84Å; G120-T124 VanDerWaalsContact O-N 3.12Å; G120-T124 PolarHBondContact O-OG1 3.06Å |
| 121 | K | 93.1 | Very high | 94 | Very high | 127 Ų | 127 | 106.9 Ų | 106.9 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.2 | -42.1 | 175.3 | -170.6 | -178.9 | 177.8 | -175.6 | 0 | 111 | M118 E119 T124 D125 | M118-K121 PolarHBondContact O-N 2.92Å; M118-K121 VanDerWaalsContact O-N 3.11Å; E119-K121 VanDerWaalsContact C-N 3.31Å; E119-K121 PolarHBondContact O-N 3.01Å; K121-T124 PolarHBondContact O-N 3.31Å; K121-D125 PolarHBondContact O-N 3.38Å |
| 122 | W | 93.4 | Very high | 94.3 | Very high | 144 Ų | 144 | 107 Ų | 107 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60 | -48.6 | 177 | 179.2 | 82.7 | 0 | 0 | 0 | 112.1 | M118 E119 T124 D125 Q126 | M118-W122 PolarHBondContact O-N 3.46Å; E119-W122 WeakPolarHBondContact O-CB 3.31Å; E119-W122 PolarHBondContact O-N 2.92Å; E119-W122 VanDerWaalsContact O-N 3.17Å; W122-T124 VanDerWaalsContact C-N 3.32Å; W122-T124 PolarHBondContact O-N 3.43Å; W122-D125 PolarHBondContact O-N 3Å; W122-Q126 WeakPolarHBondContact O-CB 3.47Å; W122-Q126 PolarHBondContact O-N 3.02Å |
| 123 | I | 95.3 | Very high | 94.5 | Very high | 73 Ų | 73 | 103.8 Ų | 103.8 | 37% | 0.374 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 176.4 | -64.3 | 170.6 | 0 | 0 | 0 | 110.7 | E119 D125 Q126 L127 | E119-I123 HydrophobicContact CG-CD1 4.11Å; E119-I123 WeakPolarHBondContact O-CG1 3.3Å; E119-I123 PolarHBondContact O-N 3.27Å; I123-D125 PolarHBondContact O-N 3.31Å; I123-Q126 PolarHBondContact O-N 3.15Å; I123-L127 HydrophobicContact CG2-CD1 4.11Å; I123-L127 WeakPolarHBondContact O-CG 3.5Å; I123-L127 PolarHBondContact O-N 3.34Å |
| 124 | T | 95.3 | Very high | 94.8 | Very high | 63 Ų | 63 | 102.3 Ų | 102.3 | 39% | 0.387 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 179.4 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | G120 K121 W122 L127 R128 | G120-T124 WeakPolarHBondContact O-CB 3.4Å; G120-T124 PolarHBondContact O-N 2.84Å; G120-T124 VanDerWaalsContact O-N 3.12Å; G120-T124 PolarHBondContact O-OG1 3.06Å; K121-T124 PolarHBondContact O-N 3.31Å; W122-T124 VanDerWaalsContact C-N 3.32Å; W122-T124 PolarHBondContact O-N 3.43Å; T124-L127 PolarHBondContact O-N 2.92Å; T124-R128 WeakPolarHBondContact O-CB 3.39Å; T124-R128 VanDerWaalsContact O-CG 3.3Å; T124-R128 WeakPolarHBondContact O-CG 3.47Å; T124-R128 PolarHBondContact O-N 3.47Å |
| 125 | D | 95.8 | Very high | 95.1 | Very high | 54 Ų | 54 | 104 Ų | 104 | 29% | 0.289 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68 | -37.8 | 179.2 | -71.6 | -22.6 | 0 | 0 | 0 | 111.2 | K121 W122 I123 L127 R128 W129 | K121-D125 PolarHBondContact O-N 3.38Å; W122-D125 PolarHBondContact O-N 3Å; I123-D125 PolarHBondContact O-N 3.31Å; D125-L127 PolarHBondContact O-N 3.08Å; D125-R128 WeakPolarHBondContact O-CB 3.41Å; D125-R128 PolarHBondContact O-N 2.93Å; D125-R128 IonicContact OD1-NH1 3.73Å; D125-R128 PolarHBondContact OD1-NH1 3.14Å; D125-W129 PolarHBondContact O-N 2.97Å |
| 126 | Q | 96.8 | Very high | 95.5 | Very high | 74 Ų | 74 | 104.1 Ų | 104.1 | 35% | 0.346 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 173.6 | -166.5 | -171.5 | 26.3 | 0 | 0 | 112 | W122 I123 W129 K130 | W122-Q126 WeakPolarHBondContact O-CB 3.47Å; W122-Q126 PolarHBondContact O-N 3.02Å; I123-Q126 PolarHBondContact O-N 3.15Å; Q126-W129 PolarHBondContact O-N 3.35Å; Q126-K130 WeakPolarHBondContact O-CG 3.08Å; Q126-K130 PolarHBondContact O-N 2.81Å |
| 127 | L | 96.9 | Very high | 95.8 | Very high | 90 Ų | 90 | 103.9 Ų | 103.9 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 175.9 | -72.6 | 172.7 | 0 | 0 | 0 | 111.8 | I123 T124 D125 W129 K130 I131 | I123-L127 HydrophobicContact CG2-CD1 4.11Å; I123-L127 WeakPolarHBondContact O-CG 3.5Å; I123-L127 PolarHBondContact O-N 3.34Å; T124-L127 PolarHBondContact O-N 2.92Å; D125-L127 PolarHBondContact O-N 3.08Å; L127-W129 VanDerWaalsContact C-N 3.32Å; L127-W129 PolarHBondContact O-N 3.21Å; L127-K130 PolarHBondContact O-N 3.33Å; L127-I131 WeakPolarHBondContact O-CB 3.09Å; L127-I131 VanDerWaalsContact O-CG1 3.29Å; L127-I131 WeakPolarHBondContact O-CG1 3.31Å; L127-I131 PolarHBondContact O-N 3.41Å |
| 128 | R | 97.2 | Very high | 96.1 | Very high | 153 Ų | 153 | 104.3 Ų | 104.3 | 58% | 0.577 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.2 | -45.3 | 173.5 | -76.7 | 170.7 | 175 | 172.6 | -4.8 | 111.4 | T124 D125 I131 M132 | T124-R128 WeakPolarHBondContact O-CB 3.39Å; T124-R128 VanDerWaalsContact O-CG 3.3Å; T124-R128 WeakPolarHBondContact O-CG 3.47Å; T124-R128 PolarHBondContact O-N 3.47Å; D125-R128 WeakPolarHBondContact O-CB 3.41Å; D125-R128 PolarHBondContact O-N 2.93Å; D125-R128 IonicContact OD1-NH1 3.73Å; D125-R128 PolarHBondContact OD1-NH1 3.14Å; R128-I131 PolarHBondContact O-N 2.75Å; R128-M132 WeakPolarHBondContact O-CB 3.34Å; R128-M132 VanDerWaalsContact O-CG 3.31Å; R128-M132 WeakPolarHBondContact O-CG 3.46Å; R128-M132 PolarHBondContact O-N 3.3Å |
| 129 | W | 97.2 | Very high | 96.4 | Very high | 192 Ų | 192 | 103.9 Ų | 103.9 | 73% | 0.727 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.4 | -43.4 | 175.9 | -77.3 | 116.4 | 0 | 0 | 0 | 112.6 | D125 Q126 L127 M132 S133 | D125-W129 PolarHBondContact O-N 2.97Å; Q126-W129 PolarHBondContact O-N 3.35Å; L127-W129 VanDerWaalsContact C-N 3.32Å; L127-W129 PolarHBondContact O-N 3.21Å; W129-M132 PolarHBondContact O-N 3.4Å; W129-S133 WeakPolarHBondContact O-CB 3.32Å; W129-S133 PolarHBondContact O-N 3.47Å |
| 130 | K | 97.8 | Very high | 96.6 | Very high | 115 Ų | 115 | 104.6 Ų | 104.6 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 175.9 | -73.7 | 176.4 | 179.7 | 174.8 | 0 | 112.1 | Q126 L127 S133 C134 | Q126-K130 WeakPolarHBondContact O-CG 3.08Å; Q126-K130 PolarHBondContact O-N 2.81Å; L127-K130 PolarHBondContact O-N 3.33Å; K130-S133 PolarHBondContact O-N 3.47Å; K130-C134 WeakPolarHBondContact O-CB 3.35Å; K130-C134 PolarHBondContact O-N 3.25Å; K130-C134 PolarHBondContact O-SG 2.87Å |
| 131 | I | 97.9 | Very high | 96.9 | Very high | 92 Ų | 92 | 107 Ų | 107 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 176.6 | -69.9 | 166.9 | 0 | 0 | 0 | 110.2 | L127 R128 C134 K135 | L127-I131 WeakPolarHBondContact O-CB 3.09Å; L127-I131 VanDerWaalsContact O-CG1 3.29Å; L127-I131 WeakPolarHBondContact O-CG1 3.31Å; L127-I131 PolarHBondContact O-N 3.41Å; R128-I131 PolarHBondContact O-N 2.75Å; I131-C134 PolarHBondContact O-N 2.74Å; I131-K135 HydrophobicContact CG2-CD 4.09Å; I131-K135 HydrophobicContact CG2-CG 4.39Å; I131-K135 WeakPolarHBondContact O-CB 3.45Å; I131-K135 WeakPolarHBondContact O-CG 3.43Å; I131-K135 PolarHBondContact O-N 2.92Å |
| 132 | M | 97.6 | Very high | 97.1 | Very high | 113 Ų | 113 | 106.3 Ų | 106.3 | 56% | 0.557 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62 | -44.2 | 178.2 | -76.3 | -58.3 | -62.6 | 0 | 0 | 112.1 | R128 W129 C134 K135 M136 | R128-M132 WeakPolarHBondContact O-CB 3.34Å; R128-M132 VanDerWaalsContact O-CG 3.31Å; R128-M132 WeakPolarHBondContact O-CG 3.46Å; R128-M132 PolarHBondContact O-N 3.3Å; W129-M132 PolarHBondContact O-N 3.4Å; M132-C134 PolarHBondContact O-N 3.48Å; M132-K135 PolarHBondContact O-N 3.45Å; M132-M136 WeakPolarHBondContact O-CB 3.42Å; M132-M136 PolarHBondContact O-N 3.27Å |
| 133 | S | 97.6 | Very high | 97.3 | Very high | 76 Ų | 76 | 104.4 Ų | 104.4 | 53% | 0.531 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 175.1 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | W129 K130 M136 R137 | W129-S133 WeakPolarHBondContact O-CB 3.32Å; W129-S133 PolarHBondContact O-N 3.47Å; K130-S133 PolarHBondContact O-N 3.47Å; S133-M136 PolarHBondContact O-N 2.97Å; S133-R137 PolarHBondContact O-N 3.46Å |
| 134 | C | 97.8 | Very high | 97.5 | Very high | 76 Ų | 76 | 105.5 Ų | 105.5 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 176.5 | -72.1 | 0 | 0 | 0 | 0 | 112.1 | K130 I131 M132 M136 R137 I138 | K130-C134 WeakPolarHBondContact O-CB 3.35Å; K130-C134 PolarHBondContact O-N 3.25Å; K130-C134 PolarHBondContact O-SG 2.87Å; I131-C134 PolarHBondContact O-N 2.74Å; M132-C134 PolarHBondContact O-N 3.48Å; C134-M136 VanDerWaalsContact C-N 3.31Å; C134-M136 PolarHBondContact O-N 2.98Å; C134-R137 PolarHBondContact O-N 3.5Å; C134-I138 VanDerWaalsContact O-CG1 3.31Å; C134-I138 WeakPolarHBondContact O-CG1 3.45Å; C134-I138 PolarHBondContact O-N 3.34Å |
| 135 | K | 97.9 | Very high | 97.6 | Very high | 127 Ų | 127 | 107.3 Ų | 107.3 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.1 | -44.6 | 176.5 | -76.9 | 179.6 | 177.2 | -176.2 | 0 | 111.5 | I131 M132 R137 I138 E139 | I131-K135 HydrophobicContact CG2-CD 4.09Å; I131-K135 HydrophobicContact CG2-CG 4.39Å; I131-K135 WeakPolarHBondContact O-CB 3.45Å; I131-K135 WeakPolarHBondContact O-CG 3.43Å; I131-K135 PolarHBondContact O-N 2.92Å; M132-K135 PolarHBondContact O-N 3.45Å; K135-R137 VanDerWaalsContact C-N 3.34Å; K135-R137 PolarHBondContact O-N 2.91Å; K135-I138 PolarHBondContact O-N 3.43Å; K135-E139 PolarHBondContact O-N 3.23Å |
| 136 | M | 97.6 | Very high | 97.7 | Very high | 125 Ų | 125 | 108.1 Ų | 108.1 | 62% | 0.616 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.7 | -39.8 | 178.9 | -162.7 | 154.1 | 72.6 | 0 | 0 | 111.8 | M132 S133 C134 E139 Q140 | M132-M136 WeakPolarHBondContact O-CB 3.42Å; M132-M136 PolarHBondContact O-N 3.27Å; S133-M136 PolarHBondContact O-N 2.97Å; C134-M136 VanDerWaalsContact C-N 3.31Å; C134-M136 PolarHBondContact O-N 2.98Å; M136-E139 PolarHBondContact O-N 3.33Å; M136-Q140 WeakPolarHBondContact O-CG 3.35Å; M136-Q140 PolarHBondContact O-N 3.48Å |
| 137 | R | 97.9 | Very high | 97.7 | Very high | 170 Ų | 170 | 110.8 Ų | 110.8 | 64% | 0.642 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.6 | -40.7 | 174.6 | -173 | 172.2 | 179.4 | 104.8 | -1.9 | 112.6 | S133 C134 K135 E139 Q140 L141 | S133-R137 PolarHBondContact O-N 3.46Å; C134-R137 PolarHBondContact O-N 3.5Å; K135-R137 VanDerWaalsContact C-N 3.34Å; K135-R137 PolarHBondContact O-N 2.91Å; R137-E139 VanDerWaalsContact C-N 3.3Å; R137-E139 PolarHBondContact O-N 3.47Å; R137-Q140 PolarHBondContact O-N 3.23Å; R137-L141 HydrophobicContact CG-CD1 4.28Å; R137-L141 VanDerWaalsContact O-CG 3.32Å; R137-L141 WeakPolarHBondContact O-CG 3.32Å; R137-L141 PolarHBondContact O-N 2.93Å |
| 138 | I | 98.1 | Very high | 97.8 | Very high | 89 Ų | 89 | 108 Ų | 108 | 46% | 0.456 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 175.3 | -71.1 | 165.6 | 0 | 0 | 0 | 110.1 | C134 K135 L141 K142 | C134-I138 VanDerWaalsContact O-CG1 3.31Å; C134-I138 WeakPolarHBondContact O-CG1 3.45Å; C134-I138 PolarHBondContact O-N 3.34Å; K135-I138 PolarHBondContact O-N 3.43Å; I138-L141 PolarHBondContact O-N 3.48Å; I138-K142 HydrophobicContact CG2-CD 4.32Å; I138-K142 WeakPolarHBondContact O-CG 3.46Å; I138-K142 PolarHBondContact O-N 3.26Å |
| 139 | E | 97.7 | Very high | 97.8 | Very high | 93 Ų | 93 | 105 Ų | 105 | 44% | 0.435 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | -179.6 | -160.7 | 56.5 | -145 | 0 | 0 | 112.2 | K135 M136 R137 L141 K142 Q143 | K135-E139 PolarHBondContact O-N 3.23Å; M136-E139 PolarHBondContact O-N 3.33Å; R137-E139 VanDerWaalsContact C-N 3.3Å; R137-E139 PolarHBondContact O-N 3.47Å; E139-L141 PolarHBondContact O-N 3.33Å; E139-K142 PolarHBondContact O-N 3.47Å; E139-K142 IonicContact OE2-NZ 2.86Å; E139-Q143 WeakPolarHBondContact O-CG 3.44Å; E139-Q143 PolarHBondContact O-N 3.02Å |
| 140 | Q | 97.8 | Very high | 97.8 | Very high | 109 Ų | 109 | 100.9 Ų | 100.9 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.1 | -46 | 172.5 | -73.1 | 172.3 | -9.9 | 0 | 0 | 111.8 | M136 R137 K142 Q143 T144 | M136-Q140 WeakPolarHBondContact O-CG 3.35Å; M136-Q140 PolarHBondContact O-N 3.48Å; R137-Q140 PolarHBondContact O-N 3.23Å; Q140-K142 PolarHBondContact O-N 3.3Å; Q140-Q143 PolarHBondContact O-N 3.35Å; Q140-T144 PolarHBondContact O-N 3.28Å; Q140-T144 PolarHBondContact O-OG1 3.02Å; Q140-T144 VanDerWaalsContact O-OG1 3.13Å |
| 141 | L | 98 | Very high | 97.8 | Very high | 93 Ų | 93 | 101.1 Ų | 101.1 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 178.3 | -72.8 | 170.1 | 0 | 0 | 0 | 112 | R137 I138 E139 Q143 T144 I145 | R137-L141 HydrophobicContact CG-CD1 4.28Å; R137-L141 VanDerWaalsContact O-CG 3.32Å; R137-L141 WeakPolarHBondContact O-CG 3.32Å; R137-L141 PolarHBondContact O-N 2.93Å; I138-L141 PolarHBondContact O-N 3.48Å; E139-L141 PolarHBondContact O-N 3.33Å; L141-Q143 VanDerWaalsContact C-N 3.35Å; L141-Q143 PolarHBondContact O-N 2.95Å; L141-T144 PolarHBondContact O-N 2.95Å; L141-I145 VanDerWaalsContact O-CG1 3.31Å; L141-I145 WeakPolarHBondContact O-CG1 3.28Å; L141-I145 PolarHBondContact O-N 3.44Å |
| 142 | K | 98.2 | Very high | 97.8 | Very high | 112 Ų | 112 | 102.8 Ų | 102.8 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 174.7 | -74.4 | 176.3 | 179.6 | 178.1 | 0 | 111.5 | I138 E139 Q140 T144 I145 C146 | I138-K142 HydrophobicContact CG2-CD 4.32Å; I138-K142 WeakPolarHBondContact O-CG 3.46Å; I138-K142 PolarHBondContact O-N 3.26Å; E139-K142 PolarHBondContact O-N 3.47Å; E139-K142 IonicContact OE2-NZ 2.86Å; Q140-K142 PolarHBondContact O-N 3.3Å; K142-T144 VanDerWaalsContact C-N 3.32Å; K142-T144 PolarHBondContact O-N 3.13Å; K142-I145 PolarHBondContact O-N 2.98Å; K142-C146 PolarHBondContact O-N 3.16Å; K142-C146 PolarHBondContact O-SG 2.98Å; K142-C146 VanDerWaalsContact O-SG 3.33Å |
| 143 | Q | 97.8 | Very high | 97.8 | Very high | 103 Ų | 103 | 103.1 Ų | 103.1 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 177.4 | -71.5 | 178.9 | 5.8 | 0 | 0 | 112.2 | E139 Q140 L141 C146 K147 | E139-Q143 WeakPolarHBondContact O-CG 3.44Å; E139-Q143 PolarHBondContact O-N 3.02Å; Q140-Q143 PolarHBondContact O-N 3.35Å; L141-Q143 VanDerWaalsContact C-N 3.35Å; L141-Q143 PolarHBondContact O-N 2.95Å; Q143-C146 PolarHBondContact O-N 3.47Å; Q143-K147 WeakPolarHBondContact O-CG 3.4Å; Q143-K147 PolarHBondContact O-N 2.78Å |
| 144 | T | 98.1 | Very high | 97.8 | Very high | 96 Ų | 96 | 105.9 Ų | 105.9 | 59% | 0.589 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 175.4 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | Q140 L141 K142 K147 G148 | Q140-T144 PolarHBondContact O-N 3.28Å; Q140-T144 PolarHBondContact O-OG1 3.02Å; Q140-T144 VanDerWaalsContact O-OG1 3.13Å; L141-T144 PolarHBondContact O-N 2.95Å; K142-T144 VanDerWaalsContact C-N 3.32Å; K142-T144 PolarHBondContact O-N 3.13Å; T144-K147 PolarHBondContact O-N 2.91Å; T144-G148 PolarHBondContact O-N 2.97Å |
| 145 | I | 98.3 | Very high | 97.8 | Very high | 102 Ų | 102 | 107.8 Ų | 107.8 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 176.8 | -68.7 | 165.5 | 0 | 0 | 0 | 110.8 | L141 K142 K147 G148 N149 | L141-I145 VanDerWaalsContact O-CG1 3.31Å; L141-I145 WeakPolarHBondContact O-CG1 3.28Å; L141-I145 PolarHBondContact O-N 3.44Å; K142-I145 PolarHBondContact O-N 2.98Å; I145-K147 PolarHBondContact O-N 3.37Å; I145-G148 PolarHBondContact O-N 2.97Å; I145-N149 VanDerWaalsContact O-CG 3.31Å; I145-N149 PolarHBondContact O-N 3.12Å |
| 146 | C | 97.5 | Very high | 97.8 | Very high | 70 Ų | 70 | 104.8 Ų | 104.8 | 47% | 0.473 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.1 | -47.4 | 177.7 | -67.8 | 0 | 0 | 0 | 0 | 111.6 | K142 Q143 G148 N149 E150 | K142-C146 PolarHBondContact O-N 3.16Å; K142-C146 PolarHBondContact O-SG 2.98Å; K142-C146 VanDerWaalsContact O-SG 3.33Å; Q143-C146 PolarHBondContact O-N 3.47Å; C146-G148 PolarHBondContact O-N 3.29Å; C146-N149 PolarHBondContact O-N 3.48Å; C146-E150 WeakPolarHBondContact O-CG 3.4Å; C146-E150 PolarHBondContact O-N 3.21Å |
| 147 | K | 97.6 | Very high | 97.8 | Very high | 130 Ų | 130 | 103.5 Ų | 103.5 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60 | -44.4 | 176.6 | -72.2 | 175.6 | -178.1 | -179.2 | 0 | 112.2 | Q143 T144 I145 N149 E150 E151 | Q143-K147 WeakPolarHBondContact O-CG 3.4Å; Q143-K147 PolarHBondContact O-N 2.78Å; T144-K147 PolarHBondContact O-N 2.91Å; I145-K147 PolarHBondContact O-N 3.37Å; K147-N149 VanDerWaalsContact C-N 3.33Å; K147-N149 PolarHBondContact O-N 2.84Å; K147-E150 PolarHBondContact O-N 2.92Å; K147-E151 WeakPolarHBondContact O-CG 3.43Å; K147-E151 PolarHBondContact O-N 3.48Å |
| 148 | G | 98.1 | Very high | 97.8 | Very high | 32 Ų | 32 | 97 Ų | 97 | 33% | 0.33 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T144 I145 C146 E151 M152 | T144-G148 PolarHBondContact O-N 2.97Å; I145-G148 PolarHBondContact O-N 2.97Å; C146-G148 PolarHBondContact O-N 3.29Å; G148-E151 PolarHBondContact O-N 2.81Å; G148-M152 WeakPolarHBondContact O-CB 3.47Å; G148-M152 PolarHBondContact O-N 3.44Å |
| 149 | N | 97.4 | Very high | 97.8 | Very high | 91 Ų | 91 | 98.8 Ų | 98.8 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -44 | 176.6 | -71.4 | -10.6 | 0 | 0 | 0 | 112 | I145 C146 K147 E151 M152 E153 | I145-N149 VanDerWaalsContact O-CG 3.31Å; I145-N149 PolarHBondContact O-N 3.12Å; C146-N149 PolarHBondContact O-N 3.48Å; K147-N149 VanDerWaalsContact C-N 3.33Å; K147-N149 PolarHBondContact O-N 2.84Å; N149-E151 VanDerWaalsContact C-N 3.32Å; N149-E151 PolarHBondContact O-N 2.86Å; N149-M152 WeakPolarHBondContact O-CB 3.38Å; N149-M152 PolarHBondContact O-N 2.95Å; N149-E153 PolarHBondContact O-N 3.37Å |
| 150 | E | 97.8 | Very high | 97.8 | Very high | 104 Ų | 104 | 100.1 Ų | 100.1 | 49% | 0.486 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -40 | 175.3 | -71.8 | 174 | -161.7 | 0 | 0 | 112 | C146 K147 K154 | C146-E150 WeakPolarHBondContact O-CG 3.4Å; C146-E150 PolarHBondContact O-N 3.21Å; K147-E150 PolarHBondContact O-N 2.92Å; E150-K154 WeakPolarHBondContact O-CB 3.48Å; E150-K154 VanDerWaalsContact O-CG 3.27Å; E150-K154 WeakPolarHBondContact O-CG 3.31Å; E150-K154 PolarHBondContact O-N 3.01Å; E150-K154 VanDerWaalsContact O-N 3.07Å |
| 151 | E | 97.9 | Very high | 97.8 | Very high | 121 Ų | 121 | 100.5 Ų | 100.5 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.4 | -41.1 | 174.5 | -75 | 178.6 | -179.6 | 0 | 0 | 111.9 | K147 G148 N149 K154 N155 | K147-E151 WeakPolarHBondContact O-CG 3.43Å; K147-E151 PolarHBondContact O-N 3.48Å; G148-E151 PolarHBondContact O-N 2.81Å; N149-E151 VanDerWaalsContact C-N 3.32Å; N149-E151 PolarHBondContact O-N 2.86Å; E151-K154 PolarHBondContact O-N 3.48Å; E151-N155 VanDerWaalsContact O-CB 3.31Å; E151-N155 WeakPolarHBondContact O-CB 3.38Å; E151-N155 PolarHBondContact O-N 3.23Å; E151-N155 PolarHBondContact O-ND2 3.21Å |
| 152 | M | 97.6 | Very high | 97.8 | Very high | 127 Ų | 127 | 99.5 Ų | 99.5 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.5 | -43.8 | 176.1 | -170.7 | -169.1 | -55.6 | 0 | 0 | 111.5 | G148 N149 N155 S156 | G148-M152 WeakPolarHBondContact O-CB 3.47Å; G148-M152 PolarHBondContact O-N 3.44Å; N149-M152 WeakPolarHBondContact O-CB 3.38Å; N149-M152 PolarHBondContact O-N 2.95Å; M152-N155 PolarHBondContact O-N 3.47Å; M152-S156 WeakPolarHBondContact O-CB 3.32Å; M152-S156 PolarHBondContact O-N 3.02Å |
| 153 | E | 97.6 | Very high | 97.8 | Very high | 120 Ų | 120 | 101.5 Ų | 101.5 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.1 | -50.3 | 177.7 | -171.9 | 171.4 | -162.7 | 0 | 0 | 110.9 | N149 N155 S156 E157 | N149-E153 PolarHBondContact O-N 3.37Å; E153-N155 VanDerWaalsContact C-N 3.32Å; E153-N155 PolarHBondContact O-N 3.38Å; E153-S156 WeakPolarHBondContact O-CB 3.5Å; E153-S156 PolarHBondContact O-N 2.99Å; E153-S156 VanDerWaalsContact O-N 3.09Å; E153-S156 PolarHBondContact O-OG 3.03Å; E153-E157 PolarHBondContact O-N 3.47Å |
| 154 | K | 97.7 | Very high | 97.8 | Very high | 133 Ų | 133 | 100.9 Ų | 100.9 | 58% | 0.578 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -56.4 | -43.8 | 175.1 | -73 | 169.7 | -172.7 | 166.1 | 0 | 112.4 | E150 E151 G158 | E150-K154 WeakPolarHBondContact O-CB 3.48Å; E150-K154 VanDerWaalsContact O-CG 3.27Å; E150-K154 WeakPolarHBondContact O-CG 3.31Å; E150-K154 PolarHBondContact O-N 3.01Å; E150-K154 VanDerWaalsContact O-N 3.07Å; E151-K154 PolarHBondContact O-N 3.48Å; K154-G158 PolarHBondContact O-N 3.35Å |
| 155 | N | 97.4 | Very high | 97.8 | Very high | 117 Ų | 117 | 102.9 Ų | 102.9 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.9 | -39.3 | 177.5 | -73.2 | -22.2 | 0 | 0 | 0 | 111.6 | E151 M152 E153 G158 L159 | E151-N155 VanDerWaalsContact O-CB 3.31Å; E151-N155 WeakPolarHBondContact O-CB 3.38Å; E151-N155 PolarHBondContact O-N 3.23Å; E151-N155 PolarHBondContact O-ND2 3.21Å; M152-N155 PolarHBondContact O-N 3.47Å; E153-N155 VanDerWaalsContact C-N 3.32Å; E153-N155 PolarHBondContact O-N 3.38Å; N155-G158 PolarHBondContact O-N 3Å; N155-L159 WeakPolarHBondContact O-CB 3.27Å; N155-L159 PolarHBondContact O-N 2.86Å |
| 156 | S | 97.9 | Very high | 97.8 | Very high | 64 Ų | 64 | 101.7 Ų | 101.7 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 178.1 | 85.3 | 0 | 0 | 0 | 0 | 112 | M152 E153 L159 L160 | M152-S156 WeakPolarHBondContact O-CB 3.32Å; M152-S156 PolarHBondContact O-N 3.02Å; E153-S156 WeakPolarHBondContact O-CB 3.5Å; E153-S156 PolarHBondContact O-N 2.99Å; E153-S156 VanDerWaalsContact O-N 3.09Å; E153-S156 PolarHBondContact O-OG 3.03Å; S156-L159 PolarHBondContact O-N 3.28Å; S156-L160 PolarHBondContact O-N 2.9Å |
| 157 | E | 97.7 | Very high | 97.8 | Very high | 98 Ų | 98 | 104.6 Ų | 104.6 | 46% | 0.458 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 175 | -70.9 | -171.6 | 178.7 | 0 | 0 | 111.6 | E153 L159 L160 K161 | E153-E157 PolarHBondContact O-N 3.47Å; E157-L159 VanDerWaalsContact C-N 3.32Å; E157-L159 PolarHBondContact O-N 3.34Å; E157-L160 PolarHBondContact O-N 3.34Å; E157-K161 WeakPolarHBondContact O-CG 3.5Å; E157-K161 PolarHBondContact O-N 3.07Å; E157-K161 IonicContact OE2-NZ 2.81Å |
| 158 | G | 97.9 | Very high | 97.8 | Very high | 32 Ų | 32 | 104.4 Ų | 104.4 | 33% | 0.33 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K154 N155 T162 | K154-G158 PolarHBondContact O-N 3.35Å; N155-G158 PolarHBondContact O-N 3Å; G158-T162 WeakPolarHBondContact O-CB 3.4Å; G158-T162 PolarHBondContact O-N 2.98Å; G158-T162 PolarHBondContact O-OG1 2.67Å |
| 159 | L | 97.8 | Very high | 97.8 | Very high | 127 Ų | 127 | 107.9 Ų | 107.9 | 67% | 0.665 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.2 | -44.3 | 175.6 | -179.2 | 65 | 0 | 0 | 0 | 111.5 | N155 S156 E157 T162 K163 | N155-L159 WeakPolarHBondContact O-CB 3.27Å; N155-L159 PolarHBondContact O-N 2.86Å; S156-L159 PolarHBondContact O-N 3.28Å; E157-L159 VanDerWaalsContact C-N 3.32Å; E157-L159 PolarHBondContact O-N 3.34Å; L159-T162 PolarHBondContact O-N 2.98Å; L159-K163 WeakPolarHBondContact O-CB 3.19Å; L159-K163 PolarHBondContact O-N 3.09Å |
| 160 | L | 97.7 | Very high | 97.8 | Very high | 121 Ų | 121 | 112 Ų | 112 | 63% | 0.634 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.4 | -43.9 | -178.7 | -155.9 | 143.4 | 0 | 0 | 0 | 111.5 | S156 E157 T162 K163 E164 | S156-L160 PolarHBondContact O-N 2.9Å; E157-L160 PolarHBondContact O-N 3.34Å; L160-T162 VanDerWaalsContact C-N 3.3Å; L160-T162 PolarHBondContact O-N 2.9Å; L160-K163 PolarHBondContact O-N 3.45Å; L160-E164 PolarHBondContact O-N 3.23Å |
| 161 | K | 97.9 | Very high | 97.8 | Very high | 117 Ų | 117 | 109.9 Ų | 109.9 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59 | -40.3 | 172.5 | -72.4 | 170.3 | -177.3 | 162.7 | 0 | 112 | E157 K165 | E157-K161 WeakPolarHBondContact O-CG 3.5Å; E157-K161 PolarHBondContact O-N 3.07Å; E157-K161 IonicContact OE2-NZ 2.81Å; K161-K165 WeakPolarHBondContact O-CG 3.47Å; K161-K165 PolarHBondContact O-N 3.18Å; K161-K165 VanDerWaalsContact O-N 3.11Å |
| 162 | T | 97.6 | Very high | 97.8 | Very high | 72 Ų | 72 | 111.1 Ų | 111.1 | 44% | 0.442 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.9 | -40.2 | 178.1 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | G158 L159 L160 E164 K165 N166 | G158-T162 WeakPolarHBondContact O-CB 3.4Å; G158-T162 PolarHBondContact O-N 2.98Å; G158-T162 PolarHBondContact O-OG1 2.67Å; L159-T162 PolarHBondContact O-N 2.98Å; L160-T162 VanDerWaalsContact C-N 3.3Å; L160-T162 PolarHBondContact O-N 2.9Å; T162-E164 PolarHBondContact O-N 3.05Å; T162-K165 PolarHBondContact O-N 3.04Å; T162-N166 WeakPolarHBondContact O-CB 3.48Å; T162-N166 PolarHBondContact O-N 3.44Å |
| 163 | K | 98.1 | Very high | 97.9 | Very high | 154 Ų | 154 | 107.7 Ų | 107.7 | 67% | 0.67 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.4 | -43.4 | 176 | -170.5 | 178.1 | -180 | -178.9 | 0 | 111.6 | L159 L160 N166 Q167 | L159-K163 WeakPolarHBondContact O-CB 3.19Å; L159-K163 PolarHBondContact O-N 3.09Å; L160-K163 PolarHBondContact O-N 3.45Å; K163-N166 PolarHBondContact O-N 3.3Å; K163-Q167 PolarHBondContact O-N 3.2Å |
| 164 | E | 97.9 | Very high | 97.9 | Very high | 91 Ų | 91 | 107.5 Ų | 107.5 | 43% | 0.425 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 176.2 | -165.2 | -162.3 | 154.5 | 0 | 0 | 111.8 | L160 T162 N166 Q167 K168 | L160-E164 PolarHBondContact O-N 3.23Å; T162-E164 PolarHBondContact O-N 3.05Å; E164-N166 PolarHBondContact O-N 2.95Å; E164-Q167 PolarHBondContact O-N 3.26Å; E164-K168 WeakPolarHBondContact O-CG 3.14Å; E164-K168 PolarHBondContact O-N 3.24Å; E164-K168 WeakPolarHBondContact OE1-CE 3.47Å; E164-K168 IonicContact OE1-NZ 3.3Å; E164-K168 PolarHBondContact OE1-NZ 3.31Å |
| 165 | K | 97.9 | Very high | 97.9 | Very high | 137 Ų | 137 | 108.9 Ų | 108.9 | 60% | 0.596 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.5 | -45.8 | 174.8 | -73.1 | 174.6 | -177 | 178.7 | 0 | 111.6 | K161 T162 Q167 K168 L169 | K161-K165 WeakPolarHBondContact O-CG 3.47Å; K161-K165 PolarHBondContact O-N 3.18Å; K161-K165 VanDerWaalsContact O-N 3.11Å; T162-K165 PolarHBondContact O-N 3.04Å; K165-Q167 VanDerWaalsContact C-N 3.34Å; K165-Q167 PolarHBondContact O-N 3.01Å; K165-K168 PolarHBondContact O-N 2.89Å; K165-L169 WeakPolarHBondContact O-CG 3.44Å; K165-L169 PolarHBondContact O-N 3.16Å |
| 166 | N | 97.9 | Very high | 97.9 | Very high | 78 Ų | 78 | 108.1 Ų | 108.1 | 42% | 0.417 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 177.5 | -78.6 | -14.5 | 0 | 0 | 0 | 111.6 | T162 K163 E164 K168 L169 Y170 | T162-N166 WeakPolarHBondContact O-CB 3.48Å; T162-N166 PolarHBondContact O-N 3.44Å; K163-N166 PolarHBondContact O-N 3.3Å; E164-N166 PolarHBondContact O-N 2.95Å; N166-K168 VanDerWaalsContact C-N 3.35Å; N166-K168 PolarHBondContact O-N 3.41Å; N166-L169 WeakPolarHBondContact O-CB 3.42Å; N166-L169 PolarHBondContact O-N 3.01Å; N166-L169 VanDerWaalsContact O-N 3.16Å; N166-Y170 WeakPolarHBondContact O-CD2 3.46Å; N166-Y170 PolarHBondContact O-N 3.27Å |
| 167 | Q | 98.1 | Very high | 97.9 | Very high | 131 Ų | 131 | 109.1 Ų | 109.1 | 61% | 0.612 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.1 | -44 | 176.5 | -169.9 | 176.3 | 7.2 | 0 | 0 | 111.9 | K163 E164 K165 L169 Y170 S171 | K163-Q167 PolarHBondContact O-N 3.2Å; E164-Q167 PolarHBondContact O-N 3.26Å; K165-Q167 VanDerWaalsContact C-N 3.34Å; K165-Q167 PolarHBondContact O-N 3.01Å; Q167-L169 VanDerWaalsContact C-N 3.31Å; Q167-L169 PolarHBondContact O-N 3.43Å; Q167-Y170 PolarHBondContact O-N 3.05Å; Q167-S171 PolarHBondContact O-N 2.93Å; Q167-S171 PolarHBondContact O-OG 2.9Å |
| 168 | K | 97.8 | Very high | 98 | Very high | 126 Ų | 126 | 109.1 Ų | 109.1 | 55% | 0.548 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | 174.9 | -69.7 | 175.1 | -174.7 | 170.7 | 0 | 112.1 | E164 K165 N166 R172 | E164-K168 WeakPolarHBondContact O-CG 3.14Å; E164-K168 PolarHBondContact O-N 3.24Å; E164-K168 WeakPolarHBondContact OE1-CE 3.47Å; E164-K168 IonicContact OE1-NZ 3.3Å; E164-K168 PolarHBondContact OE1-NZ 3.31Å; K165-K168 PolarHBondContact O-N 2.89Å; N166-K168 VanDerWaalsContact C-N 3.35Å; N166-K168 PolarHBondContact O-N 3.41Å; K168-R172 WeakPolarHBondContact O-CB 3.47Å; K168-R172 PolarHBondContact O-N 3.11Å |
| 169 | L | 97.9 | Very high | 98 | Very high | 104 Ų | 104 | 114 Ų | 114 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 175.7 | -70.1 | 174.6 | 0 | 0 | 0 | 111.7 | K165 N166 Q167 R172 A173 | K165-L169 WeakPolarHBondContact O-CG 3.44Å; K165-L169 PolarHBondContact O-N 3.16Å; N166-L169 WeakPolarHBondContact O-CB 3.42Å; N166-L169 PolarHBondContact O-N 3.01Å; N166-L169 VanDerWaalsContact O-N 3.16Å; Q167-L169 VanDerWaalsContact C-N 3.31Å; Q167-L169 PolarHBondContact O-N 3.43Å; L169-R172 PolarHBondContact O-N 3.31Å; L169-A173 WeakPolarHBondContact O-CB 3.34Å; L169-A173 PolarHBondContact O-N 3.27Å |
| 170 | Y | 98.1 | Very high | 98 | Very high | 177 Ų | 177 | 113.2 Ų | 113.2 | 69% | 0.694 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.9 | -47.5 | 175.6 | -83 | -68.4 | 0 | 0 | 0 | 112.1 | N166 Q167 R172 A173 Q174 | N166-Y170 WeakPolarHBondContact O-CD2 3.46Å; N166-Y170 PolarHBondContact O-N 3.27Å; Q167-Y170 PolarHBondContact O-N 3.05Å; Y170-R172 VanDerWaalsContact C-N 3.26Å; Y170-R172 PolarHBondContact O-N 3.03Å; Y170-A173 PolarHBondContact O-N 3.46Å; Y170-Q174 PolarHBondContact O-N 3.28Å |
| 171 | S | 97.8 | Very high | 98 | Very high | 60 Ų | 60 | 111.6 Ų | 111.6 | 42% | 0.42 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -33.1 | 175.9 | -57.4 | 0 | 0 | 0 | 0 | 112.7 | Q167 R175 | Q167-S171 PolarHBondContact O-N 2.93Å; Q167-S171 PolarHBondContact O-OG 2.9Å; S171-R175 WeakPolarHBondContact O-CG 3.48Å; S171-R175 PolarHBondContact O-N 3.48Å; S171-R175 PolarHBondContact O-NE 3.34Å |
| 172 | R | 98 | Very high | 98.1 | Very high | 147 Ų | 147 | 113 Ų | 113 | 56% | 0.555 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.2 | -43 | 174.6 | -171.1 | 177.4 | -175.3 | -172.8 | -1.1 | 111.6 | K168 L169 Y170 Q174 R175 H176 | K168-R172 WeakPolarHBondContact O-CB 3.47Å; K168-R172 PolarHBondContact O-N 3.11Å; L169-R172 PolarHBondContact O-N 3.31Å; Y170-R172 VanDerWaalsContact C-N 3.26Å; Y170-R172 PolarHBondContact O-N 3.03Å; R172-Q174 VanDerWaalsContact C-N 3.33Å; R172-Q174 PolarHBondContact O-N 3.38Å; R172-R175 PolarHBondContact O-N 3.42Å; R172-H176 PolarHBondContact NE-NE2 2.83Å; R172-H176 PolarHBondContact O-CD2 2.84Å; R172-H176 VanDerWaalsContact O-CD2 3.27Å; R172-H176 PolarHBondContact O-N 3.01Å; R172-H176 VanDerWaalsContact O-N 3.07Å |
| 173 | A | 98.1 | Very high | 98.1 | Very high | 55 Ų | 55 | 113.4 Ų | 113.4 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L169 Y170 H176 Q177 | L169-A173 WeakPolarHBondContact O-CB 3.34Å; L169-A173 PolarHBondContact O-N 3.27Å; Y170-A173 PolarHBondContact O-N 3.46Å; A173-H176 PolarHBondContact O-N 2.97Å; A173-Q177 WeakPolarHBondContact O-CB 3.42Å; A173-Q177 PolarHBondContact O-N 2.93Å |
| 174 | Q | 98.2 | Very high | 98.1 | Very high | 117 Ų | 117 | 109.9 Ų | 109.9 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -48.9 | 176.3 | -174.1 | -176.2 | -17.6 | 0 | 0 | 112.1 | Y170 R172 H176 Q177 E178 | Y170-Q174 PolarHBondContact O-N 3.28Å; R172-Q174 VanDerWaalsContact C-N 3.33Å; R172-Q174 PolarHBondContact O-N 3.38Å; Q174-H176 VanDerWaalsContact C-N 3.27Å; Q174-H176 PolarHBondContact O-N 3.39Å; Q174-Q177 WeakPolarHBondContact O-CB 3.46Å; Q174-Q177 PolarHBondContact O-N 2.93Å; Q174-Q177 VanDerWaalsContact O-N 3.08Å; Q174-E178 PolarHBondContact NE2-OE1 3.07Å; Q174-E178 WeakPolarHBondContact O-CG 3.44Å; Q174-E178 PolarHBondContact O-N 2.89Å |
| 175 | R | 97.9 | Very high | 98.1 | Very high | 162 Ų | 162 | 112.5 Ų | 112.5 | 61% | 0.611 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.8 | -38.9 | 176.9 | -73.5 | -175.4 | -69.6 | 174.2 | -1.9 | 112.6 | S171 R172 K179 | S171-R175 WeakPolarHBondContact O-CG 3.48Å; S171-R175 PolarHBondContact O-N 3.48Å; S171-R175 PolarHBondContact O-NE 3.34Å; R172-R175 PolarHBondContact O-N 3.42Å; R175-K179 WeakPolarHBondContact O-CB 3.41Å; R175-K179 PolarHBondContact O-N 3.37Å |
| 176 | H | 98.2 | Very high | 98.1 | Very high | 101 Ų | 101 | 111.1 Ų | 111.1 | 47% | 0.468 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.4 | -37.8 | 176.2 | -71.1 | -40.4 | 0 | 0 | 0 | 112.3 | R172 A173 Q174 K179 K180 | R172-H176 PolarHBondContact NE-NE2 2.83Å; R172-H176 PolarHBondContact O-CD2 2.84Å; R172-H176 VanDerWaalsContact O-CD2 3.27Å; R172-H176 PolarHBondContact O-N 3.01Å; R172-H176 VanDerWaalsContact O-N 3.07Å; A173-H176 PolarHBondContact O-N 2.97Å; Q174-H176 VanDerWaalsContact C-N 3.27Å; Q174-H176 PolarHBondContact O-N 3.39Å; H176-K179 PolarHBondContact O-N 3.48Å; H176-K180 WeakPolarHBondContact O-CB 3.33Å; H176-K180 PolarHBondContact O-N 3.27Å |
| 177 | Q | 98.1 | Very high | 98.1 | Very high | 85 Ų | 85 | 111.9 Ų | 111.9 | 40% | 0.397 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 175.2 | -177.7 | 57.7 | 29.9 | 0 | 0 | 111.3 | A173 Q174 K179 K180 E181 | A173-Q177 WeakPolarHBondContact O-CB 3.42Å; A173-Q177 PolarHBondContact O-N 2.93Å; Q174-Q177 WeakPolarHBondContact O-CB 3.46Å; Q174-Q177 PolarHBondContact O-N 2.93Å; Q174-Q177 VanDerWaalsContact O-N 3.08Å; Q177-K179 VanDerWaalsContact C-N 3.34Å; Q177-K179 PolarHBondContact O-N 2.84Å; Q177-K180 WeakPolarHBondContact O-CB 3.43Å; Q177-K180 PolarHBondContact O-N 3.22Å; Q177-E181 PolarHBondContact NE2-OE1 3.2Å; Q177-E181 WeakPolarHBondContact O-CG 3.43Å; Q177-E181 PolarHBondContact O-N 3.08Å |
| 178 | E | 98.3 | Very high | 98.1 | Very high | 98 Ų | 98 | 113.7 Ų | 113.7 | 46% | 0.458 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 175 | -69.7 | 168.3 | -168.8 | 0 | 0 | 111.9 | Q174 E181 K182 | Q174-E178 PolarHBondContact NE2-OE1 3.07Å; Q174-E178 WeakPolarHBondContact O-CG 3.44Å; Q174-E178 PolarHBondContact O-N 2.89Å; E178-E181 PolarHBondContact O-N 3.3Å; E178-K182 PolarHBondContact O-N 3.27Å |
| 179 | K | 98.3 | Very high | 98.2 | Very high | 135 Ų | 135 | 114.9 Ų | 114.9 | 59% | 0.587 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.2 | -44.6 | 175.5 | -175.7 | 174 | 177 | 177.6 | 0 | 111.4 | R175 H176 Q177 E181 K182 I183 | R175-K179 WeakPolarHBondContact O-CB 3.41Å; R175-K179 PolarHBondContact O-N 3.37Å; H176-K179 PolarHBondContact O-N 3.48Å; Q177-K179 VanDerWaalsContact C-N 3.34Å; Q177-K179 PolarHBondContact O-N 2.84Å; K179-E181 VanDerWaalsContact C-N 3.34Å; K179-E181 PolarHBondContact O-N 3.44Å; K179-K182 PolarHBondContact O-N 3.06Å; K179-I183 HydrophobicContact CG-CD1 3.97Å; K179-I183 WeakPolarHBondContact O-CG1 3.44Å; K179-I183 PolarHBondContact O-N 3.45Å |
| 180 | K | 98.4 | Very high | 98.2 | Very high | 110 Ų | 110 | 113.6 Ų | 113.6 | 48% | 0.478 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.1 | -47.1 | 176 | 177.1 | -176.4 | 173.6 | -176.4 | 0 | 110.8 | H176 Q177 K182 I183 Q184 | H176-K180 WeakPolarHBondContact O-CB 3.33Å; H176-K180 PolarHBondContact O-N 3.27Å; Q177-K180 WeakPolarHBondContact O-CB 3.43Å; Q177-K180 PolarHBondContact O-N 3.22Å; K180-K182 VanDerWaalsContact C-N 3.33Å; K180-K182 PolarHBondContact O-N 3.11Å; K180-I183 PolarHBondContact O-N 3Å; K180-Q184 HydrophobicContact CG-CG 4.43Å; K180-Q184 WeakPolarHBondContact O-CB 3.4Å; K180-Q184 VanDerWaalsContact O-CG 3.32Å; K180-Q184 WeakPolarHBondContact O-CG 3.49Å; K180-Q184 PolarHBondContact O-N 3.37Å |
| 181 | E | 98.4 | Very high | 98.2 | Very high | 86 Ų | 86 | 107 Ų | 107 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -36.7 | 178.4 | -73.1 | 171 | -166.9 | 0 | 0 | 112.6 | Q177 E178 K179 R185 | Q177-E181 PolarHBondContact NE2-OE1 3.2Å; Q177-E181 WeakPolarHBondContact O-CG 3.43Å; Q177-E181 PolarHBondContact O-N 3.08Å; E178-E181 PolarHBondContact O-N 3.3Å; K179-E181 VanDerWaalsContact C-N 3.34Å; K179-E181 PolarHBondContact O-N 3.44Å; E181-R185 WeakPolarHBondContact O-CB 3.47Å; E181-R185 WeakPolarHBondContact O-CG 3.33Å; E181-R185 PolarHBondContact O-N 2.83Å; E181-R185 PolarHBondContact O-NE 3.25Å |
| 182 | K | 98.3 | Very high | 98.2 | Very high | 146 Ų | 146 | 109.1 Ų | 109.1 | 64% | 0.635 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.7 | -44.4 | 174.2 | -170.2 | 174.6 | 175.6 | 177.2 | 0 | 111.6 | E178 K179 K180 R185 H186 | E178-K182 PolarHBondContact O-N 3.27Å; K179-K182 PolarHBondContact O-N 3.06Å; K180-K182 VanDerWaalsContact C-N 3.33Å; K180-K182 PolarHBondContact O-N 3.11Å; K182-R185 PolarHBondContact O-N 3.27Å; K182-H186 PolarHBondContact O-N 3.48Å |
| 183 | I | 98.3 | Very high | 98.2 | Very high | 82 Ų | 82 | 106.4 Ų | 106.4 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 176.2 | -67.7 | 167 | 0 | 0 | 0 | 110.4 | K179 K180 R185 H186 N187 | K179-I183 HydrophobicContact CG-CD1 3.97Å; K179-I183 WeakPolarHBondContact O-CG1 3.44Å; K179-I183 PolarHBondContact O-N 3.45Å; K180-I183 PolarHBondContact O-N 3Å; I183-R185 VanDerWaalsContact C-N 3.32Å; I183-R185 PolarHBondContact O-N 2.95Å; I183-H186 PolarHBondContact O-N 2.86Å; I183-H186 VanDerWaalsContact O-N 3.11Å; I183-N187 PolarHBondContact O-N 3.04Å |
| 184 | Q | 98.3 | Very high | 98.2 | Very high | 80 Ų | 80 | 108.2 Ų | 108.2 | 37% | 0.374 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 178.5 | -76.2 | -179.6 | -21.8 | 0 | 0 | 112.2 | K180 H186 N187 R188 | K180-Q184 HydrophobicContact CG-CG 4.43Å; K180-Q184 WeakPolarHBondContact O-CB 3.4Å; K180-Q184 VanDerWaalsContact O-CG 3.32Å; K180-Q184 WeakPolarHBondContact O-CG 3.49Å; K180-Q184 PolarHBondContact O-N 3.37Å; Q184-H186 VanDerWaalsContact C-N 3.34Å; Q184-N187 PolarHBondContact O-N 3.13Å; Q184-R188 WeakPolarHBondContact O-CG 3.34Å; Q184-R188 PolarHBondContact O-N 3.07Å |
| 185 | R | 98.3 | Very high | 98.2 | Very high | 146 Ų | 146 | 108.6 Ų | 108.6 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.9 | -40.5 | 174.2 | -76.6 | -179 | -71 | 145.3 | -9.6 | 112.4 | E181 K182 I183 K189 | E181-R185 WeakPolarHBondContact O-CB 3.47Å; E181-R185 WeakPolarHBondContact O-CG 3.33Å; E181-R185 PolarHBondContact O-N 2.83Å; E181-R185 PolarHBondContact O-NE 3.25Å; K182-R185 PolarHBondContact O-N 3.27Å; I183-R185 VanDerWaalsContact C-N 3.32Å; I183-R185 PolarHBondContact O-N 2.95Å; R185-K189 WeakPolarHBondContact O-CG 3.32Å; R185-K189 PolarHBondContact O-N 3.44Å |
| 186 | H | 98.2 | Very high | 98.2 | Very high | 108 Ų | 108 | 107 Ų | 107 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.1 | -45.6 | 176.9 | -176.5 | 61.6 | 0 | 0 | 0 | 111.8 | K182 I183 Q184 R188 K189 L190 | K182-H186 PolarHBondContact O-N 3.48Å; I183-H186 PolarHBondContact O-N 2.86Å; I183-H186 VanDerWaalsContact O-N 3.11Å; Q184-H186 VanDerWaalsContact C-N 3.34Å; H186-R188 VanDerWaalsContact C-N 3.32Å; H186-R188 PolarHBondContact O-N 3.31Å; H186-K189 WeakPolarHBondContact O-CB 3.47Å; H186-K189 PolarHBondContact O-N 3.28Å; H186-L190 WeakPolarHBondContact NE2-CD1 3.42Å; H186-L190 PolarHBondContact O-N 3.36Å |
| 187 | N | 98.2 | Very high | 98.2 | Very high | 93 Ų | 93 | 108.4 Ų | 108.4 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 177.8 | -73.1 | -1.5 | 0 | 0 | 0 | 112.3 | I183 Q184 L190 G191 | I183-N187 PolarHBondContact O-N 3.04Å; Q184-N187 PolarHBondContact O-N 3.13Å; N187-L190 PolarHBondContact O-N 2.93Å; N187-G191 PolarHBondContact O-N 2.9Å |
| 188 | R | 98.2 | Very high | 98.2 | Very high | 170 Ų | 170 | 107.6 Ų | 107.6 | 64% | 0.642 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.7 | -50 | 173.1 | -73.4 | 177 | -170 | 179.1 | 2.9 | 111.3 | Q184 H186 L190 G191 D192 | Q184-R188 WeakPolarHBondContact O-CG 3.34Å; Q184-R188 PolarHBondContact O-N 3.07Å; H186-R188 VanDerWaalsContact C-N 3.32Å; H186-R188 PolarHBondContact O-N 3.31Å; R188-L190 VanDerWaalsContact C-N 3.29Å; R188-L190 PolarHBondContact O-N 3.09Å; R188-G191 WeakPolarHBondContact O-CA 3.35Å; R188-G191 PolarHBondContact O-N 3.31Å; R188-D192 PolarHBondContact O-N 3.18Å |
| 189 | K | 98 | Very high | 98.1 | Very high | 151 Ų | 151 | 107.5 Ų | 107.5 | 66% | 0.657 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.9 | -39.2 | 177.1 | -70.2 | 179 | 178.6 | -168.3 | 0 | 113 | R185 H186 L193 | R185-K189 WeakPolarHBondContact O-CG 3.32Å; R185-K189 PolarHBondContact O-N 3.44Å; H186-K189 WeakPolarHBondContact O-CB 3.47Å; H186-K189 PolarHBondContact O-N 3.28Å; K189-L193 WeakPolarHBondContact O-CB 3.34Å; K189-L193 PolarHBondContact O-N 3.39Å; K189-L193 VanDerWaalsContact O-N 3.09Å |
| 190 | L | 98.2 | Very high | 98.1 | Very high | 77 Ų | 77 | 104 Ų | 104 | 40% | 0.403 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.5 | -41.3 | 174.9 | -73.4 | 178.9 | 0 | 0 | 0 | 111.6 | H186 N187 R188 L193 V194 | H186-L190 WeakPolarHBondContact NE2-CD1 3.42Å; H186-L190 PolarHBondContact O-N 3.36Å; N187-L190 PolarHBondContact O-N 2.93Å; R188-L190 VanDerWaalsContact C-N 3.29Å; R188-L190 PolarHBondContact O-N 3.09Å; L190-L193 PolarHBondContact O-N 2.99Å; L190-V194 WeakPolarHBondContact O-CG2 3.36Å; L190-V194 PolarHBondContact O-N 3.44Å |
| 191 | G | 98.3 | Very high | 98 | Very high | 38 Ų | 38 | 103.1 Ų | 103.1 | 39% | 0.392 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.9 | -51.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N187 R188 L193 V194 E195 | N187-G191 PolarHBondContact O-N 2.9Å; R188-G191 WeakPolarHBondContact O-CA 3.35Å; R188-G191 PolarHBondContact O-N 3.31Å; G191-L193 VanDerWaalsContact C-N 3.27Å; G191-L193 PolarHBondContact O-N 2.85Å; G191-V194 PolarHBondContact O-N 2.85Å; G191-E195 PolarHBondContact O-N 2.8Å |
| 192 | D | 98.1 | Very high | 97.8 | Very high | 104 Ų | 104 | 106.1 Ų | 106.1 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.4 | -38.7 | 178.2 | -55.9 | -21.7 | 0 | 0 | 0 | 111.6 | R188 K196 | R188-D192 PolarHBondContact O-N 3.18Å; D192-K196 WeakPolarHBondContact O-CB 3.41Å; D192-K196 PolarHBondContact O-N 2.93Å |
| 193 | L | 98.3 | Very high | 97.7 | Very high | 91 Ų | 91 | 101.4 Ų | 101.4 | 48% | 0.476 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.2 | -44.3 | 177.2 | -178.9 | 63.9 | 0 | 0 | 0 | 111.9 | K189 L190 G191 K196 K197 | K189-L193 WeakPolarHBondContact O-CB 3.34Å; K189-L193 PolarHBondContact O-N 3.39Å; K189-L193 VanDerWaalsContact O-N 3.09Å; L190-L193 PolarHBondContact O-N 2.99Å; G191-L193 VanDerWaalsContact C-N 3.27Å; G191-L193 PolarHBondContact O-N 2.85Å; L193-K196 PolarHBondContact O-N 3.31Å; L193-K197 HydrophobicContact CD1-CG 4.37Å; L193-K197 WeakPolarHBondContact O-CB 3.43Å; L193-K197 VanDerWaalsContact O-CG 3.28Å; L193-K197 WeakPolarHBondContact O-CG 3.32Å; L193-K197 PolarHBondContact O-N 2.9Å |
| 194 | V | 98.4 | Very high | 97.6 | Very high | 93 Ų | 93 | 102.6 Ų | 102.6 | 56% | 0.564 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64 | -44.2 | 177.9 | 169.1 | 0 | 0 | 0 | 0 | 110.5 | L190 G191 K197 T198 | L190-V194 WeakPolarHBondContact O-CG2 3.36Å; L190-V194 PolarHBondContact O-N 3.44Å; G191-V194 PolarHBondContact O-N 2.85Å; V194-K197 PolarHBondContact O-N 3.18Å; V194-T198 WeakPolarHBondContact O-CB 3.49Å; V194-T198 PolarHBondContact O-N 2.92Å; V194-T198 PolarHBondContact O-OG1 2.99Å |
| 195 | E | 98.1 | Very high | 97.5 | Very high | 124 Ų | 124 | 104.1 Ų | 104.1 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.5 | -48.6 | 176.9 | -176.8 | 169.6 | -153.3 | 0 | 0 | 111 | G191 K197 T198 I199 | G191-E195 PolarHBondContact O-N 2.8Å; E195-K197 PolarHBondContact O-N 3.46Å; E195-T198 WeakPolarHBondContact O-CB 3.28Å; E195-T198 PolarHBondContact O-N 3Å; E195-T198 VanDerWaalsContact O-N 3.15Å; E195-I199 HydrophobicContact CG-CD1 4.09Å; E195-I199 WeakPolarHBondContact O-CG1 3.38Å; E195-I199 PolarHBondContact O-N 3.26Å |
| 196 | K | 98.1 | Very high | 97.3 | Very high | 129 Ų | 129 | 102.4 Ų | 102.4 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -56.5 | -48.4 | 175.1 | -176.7 | 176.6 | -180 | 177 | 0 | 111.9 | D192 L193 T198 I199 D200 | D192-K196 WeakPolarHBondContact O-CB 3.41Å; D192-K196 PolarHBondContact O-N 2.93Å; L193-K196 PolarHBondContact O-N 3.31Å; K196-T198 VanDerWaalsContact C-N 3.29Å; K196-T198 PolarHBondContact O-N 3.39Å; K196-I199 PolarHBondContact O-N 3.41Å; K196-D200 VanDerWaalsContact O-CG 3.23Å; K196-D200 PolarHBondContact O-N 2.91Å |
| 197 | K | 98 | Very high | 97.2 | Very high | 131 Ų | 131 | 103.3 Ų | 103.3 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64 | -33.7 | 179 | -72.3 | -64.2 | -175.3 | -177.2 | 0 | 112.9 | L193 V194 E195 L201 | L193-K197 HydrophobicContact CD1-CG 4.37Å; L193-K197 WeakPolarHBondContact O-CB 3.43Å; L193-K197 VanDerWaalsContact O-CG 3.28Å; L193-K197 WeakPolarHBondContact O-CG 3.32Å; L193-K197 PolarHBondContact O-N 2.9Å; V194-K197 PolarHBondContact O-N 3.18Å; E195-K197 PolarHBondContact O-N 3.46Å; K197-L201 VanDerWaalsContact O-CB 3.24Å; K197-L201 WeakPolarHBondContact O-CB 3.48Å; K197-L201 PolarHBondContact O-N 3.26Å |
| 198 | T | 97.5 | Very high | 97.1 | Very high | 68 Ų | 68 | 101.9 Ų | 101.9 | 42% | 0.417 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.8 | -41.8 | 176.8 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | V194 E195 K196 L201 R202 | V194-T198 WeakPolarHBondContact O-CB 3.49Å; V194-T198 PolarHBondContact O-N 2.92Å; V194-T198 PolarHBondContact O-OG1 2.99Å; E195-T198 WeakPolarHBondContact O-CB 3.28Å; E195-T198 PolarHBondContact O-N 3Å; E195-T198 VanDerWaalsContact O-N 3.15Å; K196-T198 VanDerWaalsContact C-N 3.29Å; K196-T198 PolarHBondContact O-N 3.39Å; T198-L201 PolarHBondContact O-N 3.08Å; T198-R202 WeakPolarHBondContact O-CB 3.48Å; T198-R202 PolarHBondContact O-N 2.96Å |
| 199 | I | 97.6 | Very high | 96.9 | Very high | 95 Ų | 95 | 94.5 Ų | 94.5 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 174.4 | -65.9 | 165.9 | 0 | 0 | 0 | 110.4 | E195 K196 L201 R202 S203 | E195-I199 HydrophobicContact CG-CD1 4.09Å; E195-I199 WeakPolarHBondContact O-CG1 3.38Å; E195-I199 PolarHBondContact O-N 3.26Å; K196-I199 PolarHBondContact O-N 3.41Å; I199-L201 VanDerWaalsContact C-N 3.33Å; I199-L201 PolarHBondContact O-N 2.96Å; I199-R202 PolarHBondContact O-N 3.29Å; I199-S203 PolarHBondContact O-N 3.15Å |
| 200 | D | 97.5 | Very high | 96.8 | Very high | 63 Ų | 63 | 92.5 Ų | 92.5 | 34% | 0.337 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.6 | -48.4 | 177.1 | -69.5 | -18.8 | 0 | 0 | 0 | 110.5 | K196 R202 S203 H204 | K196-D200 VanDerWaalsContact O-CG 3.23Å; K196-D200 PolarHBondContact O-N 2.91Å; D200-R202 PolarHBondContact O-N 3.39Å; D200-S203 WeakPolarHBondContact O-CB 3.24Å; D200-S203 PolarHBondContact O-N 3.11Å; D200-H204 PolarHBondContact O-CD2 2.92Å; D200-H204 PolarHBondContact O-N 2.94Å |
| 201 | L | 95.9 | Very high | 96.7 | Very high | 90 Ų | 90 | 94.8 Ų | 94.8 | 47% | 0.471 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 179.2 | -179 | 62.6 | 0 | 0 | 0 | 112 | K197 T198 I199 S203 H204 Y205 | K197-L201 VanDerWaalsContact O-CB 3.24Å; K197-L201 WeakPolarHBondContact O-CB 3.48Å; K197-L201 PolarHBondContact O-N 3.26Å; T198-L201 PolarHBondContact O-N 3.08Å; I199-L201 VanDerWaalsContact C-N 3.33Å; I199-L201 PolarHBondContact O-N 2.96Å; L201-S203 VanDerWaalsContact C-N 3.35Å; L201-S203 PolarHBondContact O-N 3.17Å; L201-H204 WeakPolarHBondContact O-CB 3.36Å; L201-H204 PolarHBondContact O-N 3.49Å; L201-Y205 HydrophobicContact CD1-CD2 4.04Å; L201-Y205 HydrophobicContact CD1-CE2 3.51Å; L201-Y205 HydrophobicContact CD2-CE2 3.9Å; L201-Y205 HydrophobicContact CG-CD2 3.84Å; L201-Y205 HydrophobicContact CG-CE2 3.47Å; L201-Y205 VanDerWaalsContact CG-CE2 3.47Å; L201-Y205 VanDerWaalsContact O-CD2 3.32Å; L201-Y205 WeakPolarHBondContact O-CD2 3.4Å; L201-Y205 PolarHBondContact O-N 3.47Å |
| 202 | R | 94.9 | Very high | 96.7 | Very high | 149 Ų | 149 | 94.3 Ų | 94.3 | 56% | 0.562 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.5 | -45.6 | 175.8 | -171.3 | -175.5 | -59.8 | 162.8 | 2.5 | 111.4 | T198 I199 D200 H204 Y205 E206 | T198-R202 WeakPolarHBondContact O-CB 3.48Å; T198-R202 PolarHBondContact O-N 2.96Å; I199-R202 PolarHBondContact O-N 3.29Å; D200-R202 PolarHBondContact O-N 3.39Å; R202-H204 VanDerWaalsContact C-N 3.29Å; R202-H204 PolarHBondContact O-N 3.09Å; R202-Y205 PolarHBondContact O-N 3.44Å; R202-Y205 VanDerWaalsContact O-N 3.17Å; R202-E206 WeakPolarHBondContact O-CG 3.48Å; R202-E206 PolarHBondContact O-N 3.19Å |
| 203 | S | 96.3 | Very high | 96.6 | Very high | 48 Ų | 48 | 91.9 Ų | 91.9 | 34% | 0.336 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.6 | -35.4 | 176.1 | 175.7 | 0 | 0 | 0 | 0 | 112.7 | I199 D200 L201 R207 | I199-S203 PolarHBondContact O-N 3.15Å; D200-S203 WeakPolarHBondContact O-CB 3.24Å; D200-S203 PolarHBondContact O-N 3.11Å; L201-S203 VanDerWaalsContact C-N 3.35Å; L201-S203 PolarHBondContact O-N 3.17Å; S203-R207 WeakPolarHBondContact O-CG 3.47Å; S203-R207 PolarHBondContact O-N 2.85Å; S203-R207 VanDerWaalsContact O-N 3.12Å; S203-R207 PolarHBondContact O-NE 2.91Å |
| 204 | H | 95.7 | Very high | 96.5 | Very high | 106 Ų | 106 | 91.1 Ų | 91.1 | 49% | 0.491 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 173.1 | -81.9 | -74.8 | 0 | 0 | 0 | 111.9 | D200 L201 R202 R207 L208 | D200-H204 PolarHBondContact O-CD2 2.92Å; D200-H204 PolarHBondContact O-N 2.94Å; L201-H204 WeakPolarHBondContact O-CB 3.36Å; L201-H204 PolarHBondContact O-N 3.49Å; R202-H204 VanDerWaalsContact C-N 3.29Å; R202-H204 PolarHBondContact O-N 3.09Å; H204-R207 PolarHBondContact CD2-NH2 3.17Å; H204-R207 PolarHBondContact CE1-NH2 3.28Å; H204-R207 VanDerWaalsContact CG-NH2 3.33Å; H204-R207 PolarHBondContact ND1-NH2 3.38Å; H204-R207 PolarHBondContact NE2-NH2 2.93Å; H204-R207 PolarHBondContact O-N 2.89Å; H204-L208 WeakPolarHBondContact O-CB 3.43Å; H204-L208 PolarHBondContact O-N 3.05Å |
| 205 | Y | 94.9 | Very high | 96.3 | Very high | 113 Ų | 113 | 91.2 Ų | 91.2 | 44% | 0.443 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 175.9 | -76.8 | -54 | 0 | 0 | 0 | 112.9 | L201 R202 R207 L208 A209 | L201-Y205 HydrophobicContact CD1-CD2 4.04Å; L201-Y205 HydrophobicContact CD1-CE2 3.51Å; L201-Y205 HydrophobicContact CD2-CE2 3.9Å; L201-Y205 HydrophobicContact CG-CD2 3.84Å; L201-Y205 HydrophobicContact CG-CE2 3.47Å; L201-Y205 VanDerWaalsContact CG-CE2 3.47Å; L201-Y205 VanDerWaalsContact O-CD2 3.32Å; L201-Y205 WeakPolarHBondContact O-CD2 3.4Å; L201-Y205 PolarHBondContact O-N 3.47Å; R202-Y205 PolarHBondContact O-N 3.44Å; R202-Y205 VanDerWaalsContact O-N 3.17Å; Y205-R207 PolarHBondContact O-N 3.1Å; Y205-L208 PolarHBondContact O-N 3.39Å; Y205-A209 WeakPolarHBondContact O-CB 3.47Å; Y205-A209 PolarHBondContact O-N 3.41Å |
| 206 | E | 94.6 | Very high | 96.3 | Very high | 110 Ų | 110 | 85.3 Ų | 85.3 | 51% | 0.514 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 175.6 | -74.7 | 169.7 | -167.4 | 0 | 0 | 111.6 | R202 A209 N210 | R202-E206 WeakPolarHBondContact O-CG 3.48Å; R202-E206 PolarHBondContact O-N 3.19Å; E206-A209 PolarHBondContact O-N 2.72Å; E206-N210 VanDerWaalsContact O-CG 3.31Å; E206-N210 PolarHBondContact O-N 2.98Å; E206-N210 PolarHBondContact O-ND2 2.98Å |
| 207 | R | 96.1 | Very high | 96.2 | Very high | 126 Ų | 126 | 81.2 Ų | 81.2 | 48% | 0.475 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 174.8 | -78 | -178.4 | -76.1 | 160.6 | -8.5 | 112.1 | S203 H204 Y205 N210 L211 | S203-R207 WeakPolarHBondContact O-CG 3.47Å; S203-R207 PolarHBondContact O-N 2.85Å; S203-R207 VanDerWaalsContact O-N 3.12Å; S203-R207 PolarHBondContact O-NE 2.91Å; H204-R207 PolarHBondContact CD2-NH2 3.17Å; H204-R207 PolarHBondContact CE1-NH2 3.28Å; H204-R207 VanDerWaalsContact CG-NH2 3.33Å; H204-R207 PolarHBondContact ND1-NH2 3.38Å; H204-R207 PolarHBondContact NE2-NH2 2.93Å; H204-R207 PolarHBondContact O-N 2.89Å; Y205-R207 PolarHBondContact O-N 3.1Å; R207-N210 PolarHBondContact O-N 3.47Å; R207-L211 WeakPolarHBondContact O-CG 3.32Å; R207-L211 PolarHBondContact O-N 3.25Å |
| 208 | L | 95.8 | Very high | 96.1 | Very high | 64 Ų | 64 | 80.6 Ų | 80.6 | 34% | 0.335 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 177.3 | -179.3 | 61.3 | 0 | 0 | 0 | 111.4 | H204 Y205 N210 L211 R212 | H204-L208 WeakPolarHBondContact O-CB 3.43Å; H204-L208 PolarHBondContact O-N 3.05Å; Y205-L208 PolarHBondContact O-N 3.39Å; L208-N210 VanDerWaalsContact C-N 3.35Å; L208-N210 PolarHBondContact O-N 3.49Å; L208-L211 PolarHBondContact O-N 2.81Å; L208-R212 HydrophobicContact CD1-CG 4.31Å; L208-R212 HydrophobicContact CG-CG 4.47Å; L208-R212 WeakPolarHBondContact O-CB 3.4Å; L208-R212 VanDerWaalsContact O-CG 3.32Å; L208-R212 WeakPolarHBondContact O-CG 3.32Å; L208-R212 PolarHBondContact O-N 2.98Å |
| 209 | A | 95.6 | Very high | 96 | Very high | 15 Ų | 15 | 77.9 Ų | 77.9 | 12% | 0.124 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y205 E206 L211 R212 R213 G408 | Y205-A209 WeakPolarHBondContact O-CB 3.47Å; Y205-A209 PolarHBondContact O-N 3.41Å; E206-A209 PolarHBondContact O-N 2.72Å; A209-L211 PolarHBondContact O-N 3.27Å; A209-R212 PolarHBondContact O-N 3.34Å; A209-R213 VanDerWaalsContact O-CB 3.28Å; A209-R213 WeakPolarHBondContact O-CB 3.41Å; A209-R213 PolarHBondContact O-N 3.12Å; A209-G408 VanDerWaalsContact CA-O 3.23Å; A209-G408 WeakPolarHBondContact CA-O 3.43Å; A209-G408 VanDerWaalsContact CB-O 3.31Å; A209-G408 WeakPolarHBondContact CB-O 3.23Å |
| 210 | N | 95.6 | Very high | 95.8 | Very high | 108 Ų | 108 | 74.1 Ų | 74.1 | 58% | 0.578 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.8 | -41.4 | 176.5 | -70.8 | -26.9 | 0 | 0 | 0 | 112.7 | E206 R207 L208 S214 | E206-N210 VanDerWaalsContact O-CG 3.31Å; E206-N210 PolarHBondContact O-N 2.98Å; E206-N210 PolarHBondContact O-ND2 2.98Å; R207-N210 PolarHBondContact O-N 3.47Å; L208-N210 VanDerWaalsContact C-N 3.35Å; L208-N210 PolarHBondContact O-N 3.49Å; N210-S214 WeakPolarHBondContact O-CB 3.42Å; N210-S214 PolarHBondContact O-N 2.94Å |
| 211 | L | 96.5 | Very high | 95.7 | Very high | 125 Ų | 125 | 74.9 Ų | 74.9 | 65% | 0.654 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.4 | -46.5 | 176 | -73.2 | 172.4 | 0 | 0 | 0 | 111.7 | R207 L208 A209 S214 H215 | R207-L211 WeakPolarHBondContact O-CG 3.32Å; R207-L211 PolarHBondContact O-N 3.25Å; L208-L211 PolarHBondContact O-N 2.81Å; A209-L211 PolarHBondContact O-N 3.27Å; L211-S214 PolarHBondContact O-N 3.36Å; L211-H215 WeakPolarHBondContact O-CB 3.48Å; L211-H215 PolarHBondContact O-N 3.01Å |
| 212 | R | 96.7 | Very high | 95.5 | Very high | 29 Ų | 29 | 75.5 Ų | 75.5 | 11% | 0.109 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.3 | -48 | 176 | -72.7 | 173.1 | 173 | -173.5 | -5.5 | 111 | L208 A209 S214 H215 I216 I338 L339 D340 S410 | L208-R212 HydrophobicContact CD1-CG 4.31Å; L208-R212 HydrophobicContact CG-CG 4.47Å; L208-R212 WeakPolarHBondContact O-CB 3.4Å; L208-R212 VanDerWaalsContact O-CG 3.32Å; L208-R212 WeakPolarHBondContact O-CG 3.32Å; L208-R212 PolarHBondContact O-N 2.98Å; A209-R212 PolarHBondContact O-N 3.34Å; R212-S214 PolarHBondContact O-N 2.83Å; R212-H215 PolarHBondContact O-N 3.19Å; R212-I216 WeakPolarHBondContact O-CB 3.36Å; R212-I216 VanDerWaalsContact O-CG1 3.22Å; R212-I216 WeakPolarHBondContact O-CG1 3.47Å; R212-I216 PolarHBondContact O-N 2.71Å; R212-I338 HydrophobicContact CB-CG2 4.01Å; R212-I338 VanDerWaalsContact CD-O 3.26Å; R212-I338 WeakPolarHBondContact CD-O 3.26Å; R212-I338 HydrophobicContact CG-CG2 3.97Å; R212-I338 WeakPolarHBondContact CG-O 3.31Å; R212-I338 PolarHBondContact NE-O 2.94Å; R212-L339 PolarHBondContact NH1-O 3.36Å; R212-D340 IonicContact NH2-OD2 3.7Å; R212-S410 PolarHBondContact NH1-OG 2.81Å |
| 213 | R | 96.4 | Very high | 95.5 | Very high | 53 Ų | 53 | 73 Ų | 73 | 20% | 0.2 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.8 | -50.7 | 176.1 | -171.6 | -157 | -172.6 | 85.6 | 5.5 | 111.4 | A209 H215 I216 L217 P402 S404 E405 L407 | A209-R213 VanDerWaalsContact O-CB 3.28Å; A209-R213 WeakPolarHBondContact O-CB 3.41Å; A209-R213 PolarHBondContact O-N 3.12Å; R213-H215 VanDerWaalsContact C-N 3.33Å; R213-H215 PolarHBondContact O-N 2.88Å; R213-I216 PolarHBondContact O-N 2.76Å; R213-L217 HydrophobicContact CG-CD1 4.05Å; R213-L217 HydrophobicContact CG-CG 4.49Å; R213-L217 VanDerWaalsContact O-CG 3.29Å; R213-L217 WeakPolarHBondContact O-CG 3.22Å; R213-L217 PolarHBondContact O-N 2.91Å; R213-P402 PolarHBondContact NH2-O 3.46Å; R213-S404 PolarHBondContact NH1-O 3.47Å; R213-S404 PolarHBondContact NH2-O 2.84Å; R213-E405 PolarHBondContact NH1-O 3.27Å; R213-L407 HydrophobicContact CG-CB 4.29Å; R213-L407 HydrophobicContact CG-CD2 4.01Å; R213-L407 HydrophobicContact CG-CG 4.17Å |
| 214 | S | 95.7 | Very high | 95.4 | Very high | 74 Ų | 74 | 71 Ų | 71 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 179.3 | -170.8 | 0 | 0 | 0 | 0 | 111.5 | N210 L211 R212 L217 E218 | N210-S214 WeakPolarHBondContact O-CB 3.42Å; N210-S214 PolarHBondContact O-N 2.94Å; L211-S214 PolarHBondContact O-N 3.36Å; R212-S214 PolarHBondContact O-N 2.83Å; S214-L217 PolarHBondContact O-N 2.93Å; S214-E218 WeakPolarHBondContact O-CB 3.23Å; S214-E218 PolarHBondContact O-N 2.63Å |
| 215 | H | 95.9 | Very high | 95.3 | Very high | 96 Ų | 96 | 67.6 Ų | 67.6 | 44% | 0.444 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 179.9 | -174 | -162.7 | 0 | 0 | 0 | 112 | L211 R212 R213 E218 L219 | L211-H215 WeakPolarHBondContact O-CB 3.48Å; L211-H215 PolarHBondContact O-N 3.01Å; R212-H215 PolarHBondContact O-N 3.19Å; R213-H215 VanDerWaalsContact C-N 3.33Å; R213-H215 PolarHBondContact O-N 2.88Å; H215-E218 PolarHBondContact O-N 3.46Å; H215-L219 VanDerWaalsContact O-CB 3.23Å; H215-L219 WeakPolarHBondContact O-CB 3.28Å; H215-L219 PolarHBondContact O-N 3.14Å |
| 216 | I | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 176.7 | -69.8 | 168.6 | 0 | 0 | 0 | 110.6 | R212 R213 E218 L219 T220 L335 I338 L339 V400 L407 | R212-I216 WeakPolarHBondContact O-CB 3.36Å; R212-I216 VanDerWaalsContact O-CG1 3.22Å; R212-I216 WeakPolarHBondContact O-CG1 3.47Å; R212-I216 PolarHBondContact O-N 2.71Å; R213-I216 PolarHBondContact O-N 2.76Å; I216-E218 PolarHBondContact O-N 3.32Å; I216-L219 WeakPolarHBondContact O-CB 3.05Å; I216-L219 PolarHBondContact O-N 3.08Å; I216-T220 HydrophobicContact CG2-CG2 4.42Å; I216-T220 WeakPolarHBondContact O-CG2 3.46Å; I216-T220 PolarHBondContact O-N 3.42Å; I216-T220 PolarHBondContact O-OG1 3.41Å; I216-L335 HydrophobicContact CB-CD2 4.23Å; I216-L335 HydrophobicContact CD1-CD2 4.12Å; I216-L335 HydrophobicContact CG1-CD2 3.71Å; I216-L335 HydrophobicContact CG2-CD2 3.66Å; I216-I338 HydrophobicContact CD1-CG2 4.03Å; I216-I338 HydrophobicContact CG1-CB 4.48Å; I216-I338 HydrophobicContact CG1-CD1 4.3Å; I216-I338 HydrophobicContact CG1-CG2 3.87Å; I216-L339 HydrophobicContact CD1-CD1 4.39Å; I216-L339 HydrophobicContact CD1-CD2 3.53Å; I216-L339 HydrophobicContact CD1-CG 3.88Å; I216-V400 HydrophobicContact CG2-CB 4.25Å; I216-V400 HydrophobicContact CG2-CG1 3.91Å; I216-L407 HydrophobicContact CB-CD2 4.39Å; I216-L407 HydrophobicContact CD1-CD1 3.81Å; I216-L407 HydrophobicContact CD1-CG 4.32Å; I216-L407 HydrophobicContact CG2-CD1 4.33Å; I216-L407 HydrophobicContact CG2-CD2 3.96Å |
| 217 | L | 95.5 | Very high | 95.1 | Very high | 43 Ų | 43 | 63.9 Ų | 63.9 | 23% | 0.225 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.8 | -36 | 179.4 | -67.3 | 176.2 | 0 | 0 | 0 | 112.4 | R213 S214 S221 V400 P402 L407 | R213-L217 HydrophobicContact CG-CD1 4.05Å; R213-L217 HydrophobicContact CG-CG 4.49Å; R213-L217 VanDerWaalsContact O-CG 3.29Å; R213-L217 WeakPolarHBondContact O-CG 3.22Å; R213-L217 PolarHBondContact O-N 2.91Å; S214-L217 PolarHBondContact O-N 2.93Å; L217-S221 VanDerWaalsContact O-CB 3.23Å; L217-S221 WeakPolarHBondContact O-CB 3.37Å; L217-S221 PolarHBondContact O-N 2.98Å; L217-S221 PolarHBondContact O-OG 2.86Å; L217-V400 WeakPolarHBondContact CD2-O 3.41Å; L217-P402 HydrophobicContact CD2-CB 4.32Å; L217-P402 HydrophobicContact CD2-CG 4.13Å; L217-L407 HydrophobicContact CD2-CD2 4.36Å |
| 218 | E | 95.6 | Very high | 94.7 | Very high | 117 Ų | 117 | 61.5 Ų | 61.5 | 55% | 0.547 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 171.9 | -174.5 | 177.7 | -175.3 | 0 | 0 | 110.9 | S214 H215 I216 T220 S221 V222 | S214-E218 WeakPolarHBondContact O-CB 3.23Å; S214-E218 PolarHBondContact O-N 2.63Å; H215-E218 PolarHBondContact O-N 3.46Å; I216-E218 PolarHBondContact O-N 3.32Å; E218-T220 VanDerWaalsContact C-N 3.35Å; E218-T220 PolarHBondContact O-N 3.5Å; E218-S221 PolarHBondContact O-N 3.3Å; E218-S221 PolarHBondContact O-OG 2.87Å; E218-S221 VanDerWaalsContact O-OG 3.14Å; E218-V222 HydrophobicContact CG-CG2 4.35Å; E218-V222 WeakPolarHBondContact O-CB 3.23Å; E218-V222 WeakPolarHBondContact O-CG2 3.43Å; E218-V222 PolarHBondContact O-N 3.42Å |
| 219 | L | 95.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 60.2 Ų | 60.2 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.6 | -46 | 178.1 | 179.8 | 67.9 | 0 | 0 | 0 | 111.9 | H215 I216 I223 F224 L331 I334 L335 I338 | H215-L219 VanDerWaalsContact O-CB 3.23Å; H215-L219 WeakPolarHBondContact O-CB 3.28Å; H215-L219 PolarHBondContact O-N 3.14Å; I216-L219 WeakPolarHBondContact O-CB 3.05Å; I216-L219 PolarHBondContact O-N 3.08Å; L219-I223 HydrophobicContact CD1-CB 4.07Å; L219-I223 HydrophobicContact CD1-CD1 3.88Å; L219-I223 HydrophobicContact CD1-CG1 4.29Å; L219-I223 PolarHBondContact O-N 3.28Å; L219-F224 HydrophobicContact CD1-CD2 3.83Å; L219-F224 HydrophobicContact CD1-CE2 3.9Å; L219-F224 HydrophobicContact CG-CD2 3.98Å; L219-F224 HydrophobicContact CG-CE2 4.42Å; L219-F224 PolarHBondContact O-N 3.35Å; L219-L331 HydrophobicContact CD2-CD1 3.84Å; L219-L331 HydrophobicContact CG-CD1 4.27Å; L219-I334 HydrophobicContact CD2-CB 4.31Å; L219-I334 HydrophobicContact CD2-CG2 3.49Å; L219-I334 VanDerWaalsContact CD2-CG2 3.49Å; L219-L335 HydrophobicContact CD2-CD2 4.36Å; L219-I338 HydrophobicContact CD2-CD1 4.03Å |
| 220 | T | 95 | Very high | 93 | Very high | 16 Ų | 16 | 68 Ų | 68 | 10% | 0.098 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -83.3 | -12 | -177.6 | 59 | 0 | 0 | 0 | 0 | 114 | I216 E218 F224 P225 L331 V400 | I216-T220 HydrophobicContact CG2-CG2 4.42Å; I216-T220 WeakPolarHBondContact O-CG2 3.46Å; I216-T220 PolarHBondContact O-N 3.42Å; I216-T220 PolarHBondContact O-OG1 3.41Å; E218-T220 VanDerWaalsContact C-N 3.35Å; E218-T220 PolarHBondContact O-N 3.5Å; T220-F224 CarbonylContact C-O 3.55Å; T220-F224 CarbonylContact O-C 3.49Å; T220-F224 VanDerWaalsContact O-C 3.28Å; T220-P225 WeakPolarHBondContact O-CA 3.4Å; T220-L331 HydrophobicContact CG2-CD1 4.11Å; T220-L331 HydrophobicContact CG2-CD2 4.41Å; T220-V400 HydrophobicContact CG2-CB 3.9Å; T220-V400 HydrophobicContact CG2-CG1 3.87Å; T220-V400 HydrophobicContact CG2-CG2 3.93Å |
| 221 | S | 93.7 | Very high | 91.2 | Very high | 78 Ų | 78 | 67 Ų | 67 | 55% | 0.545 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -93.6 | -29 | 171.9 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | L217 E218 | L217-S221 VanDerWaalsContact O-CB 3.23Å; L217-S221 WeakPolarHBondContact O-CB 3.37Å; L217-S221 PolarHBondContact O-N 2.98Å; L217-S221 PolarHBondContact O-OG 2.86Å; E218-S221 PolarHBondContact O-N 3.3Å; E218-S221 PolarHBondContact O-OG 2.87Å; E218-S221 VanDerWaalsContact O-OG 3.14Å |
| 222 | V | 93.1 | Very high | 88.8 | Confident | 103 Ų | 103 | 64.5 Ų | 64.5 | 62% | 0.624 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -104.6 | -46.3 | -173.5 | -178.4 | 0 | 0 | 0 | 0 | 112.7 | E218 | E218-V222 HydrophobicContact CG-CG2 4.35Å; E218-V222 WeakPolarHBondContact O-CB 3.23Å; E218-V222 WeakPolarHBondContact O-CG2 3.43Å; E218-V222 PolarHBondContact O-N 3.42Å |
| 223 | I | 94 | Very high | 86.3 | Confident | 98 Ų | 98 | 69.8 Ų | 69.8 | 50% | 0.503 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -43 | -170.9 | -53.7 | -172.8 | 0 | 0 | 0 | 111.2 | L219 P225 | L219-I223 HydrophobicContact CD1-CB 4.07Å; L219-I223 HydrophobicContact CD1-CD1 3.88Å; L219-I223 HydrophobicContact CD1-CG1 4.29Å; L219-I223 PolarHBondContact O-N 3.28Å; I223-P225 WeakPolarHBondContact O-CD 3.27Å |
| 224 | F | 95 | Very high | 83.6 | Confident | 5 Ų | 5 | 78.6 Ų | 78.6 | 2% | 0.022 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -121.6 | 61.6 | 178.7 | -58.9 | -84.8 | 0 | 0 | 0 | 112.6 | L219 T220 I226 I281 Y327 Q330 L331 I334 | L219-F224 HydrophobicContact CD1-CD2 3.83Å; L219-F224 HydrophobicContact CD1-CE2 3.9Å; L219-F224 HydrophobicContact CG-CD2 3.98Å; L219-F224 HydrophobicContact CG-CE2 4.42Å; L219-F224 PolarHBondContact O-N 3.35Å; T220-F224 CarbonylContact C-O 3.55Å; T220-F224 CarbonylContact O-C 3.49Å; T220-F224 VanDerWaalsContact O-C 3.28Å; F224-I226 WeakPolarHBondContact O-CG1 3.23Å; F224-I226 PolarHBondContact O-N 3.4Å; F224-I281 HydrophobicContact CD1-CD1 4.3Å; F224-I281 HydrophobicContact CD1-CG1 4.45Å; F224-Y327 AromaticContact CE1-CD1 3.99Å; F224-Y327 HydrophobicContact CE1-CD1 3.99Å; F224-Q330 HydrophobicContact CE1-CB 4.48Å; F224-Q330 HydrophobicContact CZ-CB 4.4Å; F224-Q330 HydrophobicContact CZ-CG 3.99Å; F224-L331 HydrophobicContact CB-CD1 4.19Å; F224-L331 HydrophobicContact CB-CD2 4.12Å; F224-L331 HydrophobicContact CD1-CB 4.25Å; F224-L331 HydrophobicContact CD2-CD1 3.86Å; F224-L331 HydrophobicContact CE1-CB 4.46Å; F224-L331 HydrophobicContact CE2-CD1 4.46Å; F224-L331 HydrophobicContact CG-CB 4.26Å; F224-L331 HydrophobicContact CG-CD1 4.08Å; F224-I334 HydrophobicContact CE2-CD1 3.95Å; F224-I334 HydrophobicContact CZ-CD1 4.18Å |
| 225 | P | 94.1 | Very high | 80.7 | Confident | 34 Ų | 34 | 80.7 Ų | 80.7 | 22% | 0.221 | 43% | 0.428 | C | S | . | . | trans | -51.1 | 123.8 | 169.8 | -23.9 | 32 | 0 | 0 | 0 | 111.3 | T220 I223 I281 T282 | T220-P225 WeakPolarHBondContact O-CA 3.4Å; I223-P225 WeakPolarHBondContact O-CD 3.27Å; P225-I281 CarbonylContact O-C 3.51Å; P225-I281 WeakPolarHBondContact O-CA 3.29Å; P225-T282 PolarHBondContact O-N 3.46Å | ||
| 226 | I | 92.8 | Very high | 78.1 | Confident | 23 Ų | 23 | 81.6 Ų | 81.6 | 12% | 0.118 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 115.4 | 173.9 | -52.1 | 179.1 | 0 | 0 | 0 | 108.4 | F224 I279 S280 I281 L331 L396 M397 V400 | F224-I226 WeakPolarHBondContact O-CG1 3.23Å; F224-I226 PolarHBondContact O-N 3.4Å; I226-I279 HydrophobicContact CG2-CG2 3.55Å; I226-S280 WeakPolarHBondContact CA-O 3.43Å; I226-I281 HydrophobicContact CG1-CG1 4.41Å; I226-L331 HydrophobicContact CD1-CD2 3.86Å; I226-L396 HydrophobicContact CD1-CB 4.12Å; I226-M397 HydrophobicContact CG2-CB 4.2Å; I226-M397 HydrophobicContact CG2-CG 4.4Å; I226-M397 HydrophobicContact CG2-SD 4.5Å; I226-V400 HydrophobicContact CD1-CG2 4.25Å |
| 227 | E | 90.7 | Very high | 75.6 | Confident | 122 Ų | 122 | 85.3 Ų | 85.3 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 142.5 | -174.6 | -62.9 | -177 | 179.6 | 0 | 0 | 111.6 | V229 S280 | E227-V229 PolarHBondContact O-N 3.43Å; E227-S280 PolarHBondContact N-O 3.47Å; E227-S280 PolarHBondContact O-N 2.95Å; E227-S280 PolarHBondContact O-OG 3.04Å |
| 228 | E | 88.8 | Confident | 73 | Confident | 77 Ų | 77 | 90.3 Ų | 90.3 | 36% | 0.36 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 119.2 | 169.6 | -71.2 | 179.4 | -167.3 | 0 | 0 | 110.5 | R394 M397 | E228-R394 IonicContact OE1-CZ 3.48Å; E228-R394 IonicContact OE1-NH1 3.84Å; E228-R394 PolarHBondContact OE1-NH1 3.28Å; E228-R394 IonicContact OE1-NH2 2.76Å; E228-M397 HydrophobicContact CG-CE 4.12Å; E228-M397 HydrophobicContact CG-SD 4.42Å |
| 229 | V | 83.7 | Confident | 70.7 | Confident | 36 Ų | 36 | 91 Ų | 91 | 22% | 0.218 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 109.8 | 173.8 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | E227 T231 S278 S280 | E227-V229 PolarHBondContact O-N 3.43Å; V229-T231 PolarHBondContact O-N 3.1Å; V229-S278 WeakPolarHBondContact CB-OG 3.36Å; V229-S278 PolarHBondContact N-O 3.48Å; V229-S280 VanDerWaalsContact CG2-CB 3.49Å; V229-S280 WeakPolarHBondContact CG2-OG 3.2Å |
| 230 | K | 71.1 | Confident | 68.2 | Low | 180 Ų | 180 | 94.8 Ų | 94.8 | 78% | 0.783 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 103 | 171.6 | -66.7 | -178.6 | -177.4 | 176.4 | 0 | 108.7 | G232 | K230-G232 PolarHBondContact O-N 3.43Å |
| 231 | T | 57.3 | Low | 65.7 | Low | 87 Ų | 87 | 99.9 Ų | 99.9 | 53% | 0.534 | 58% | 0.576 | S | S | . | * | trans | -70.5 | 80.7 | 172.9 | -31.5 | 0 | 0 | 0 | 0 | 109.3 | V229 V233 D276 | V229-T231 PolarHBondContact O-N 3.1Å; T231-V233 PolarHBondContact O-N 3.49Å; T231-V233 VanDerWaalsContact O-N 3.09Å; T231-D276 PolarHBondContact OG1-O 2.71Å | ||
| 232 | G | 47.9 | Very low | 63.4 | Low | 71 Ų | 71 | 105.8 Ų | 105.8 | 73% | 0.732 | 60% | 0.595 | S | S | * | * | trans | -81.1 | 75.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K230 R234 | K230-G232 PolarHBondContact O-N 3.43Å; G232-R234 PolarHBondContact O-N 2.85Å | ||
| 233 | V | 42.6 | Very low | 61.1 | Low | 141 Ų | 141 | 105.6 Ų | 105.6 | 86% | 0.855 | 60% | 0.598 | S | S | * | * | trans | -85.4 | 75.5 | 154.8 | -173.8 | 0 | 0 | 0 | 0 | 107 | T231 | T231-V233 PolarHBondContact O-N 3.49Å; T231-V233 VanDerWaalsContact O-N 3.09Å | ||
| 234 | R | 39.4 | Very low | 58.6 | Low | 237 Ų | 237 | 108.5 Ų | 108.5 | 89% | 0.894 | 62% | 0.615 | S | S | * | * | trans | -89.2 | 108.1 | 159.8 | -108.7 | -173.9 | -178.5 | -176.7 | -0.4 | 106.6 | G232 | G232-R234 PolarHBondContact O-N 2.85Š| ||
| 235 | D | 35.2 | Very low | 56.1 | Low | 118 Ų | 118 | 111.9 Ų | 111.9 | 63% | 0.631 | 64% | 0.639 | S | S | * | * | trans | -58.6 | 126.7 | 164 | -156 | -16.1 | 0 | 0 | 0 | 108 | A237 | D235-A237 PolarHBondContact O-N 2.91Š| ||
| 236 | P | 42.7 | Very low | 54.1 | Low | 116 Ų | 116 | 115.3 Ų | 115.3 | 75% | 0.753 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -2.6 | -176.5 | -18.3 | 30.7 | 0 | 0 | 0 | 114.4 | ||
| 237 | A | 43.1 | Very low | 52.1 | Low | 78 Ų | 78 | 122.9 Ų | 122.9 | 65% | 0.645 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -9.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D235 V239 | D235-A237 PolarHBondContact O-N 2.91Å; A237-V239 VanDerWaalsContact C-N 3.32Å; A237-V239 PolarHBondContact O-N 3.33Å |
| 238 | D | 41.3 | Very low | 50.1 | Low | 147 Ų | 147 | 120 Ų | 120 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | trans | -97.6 | 40.9 | -173.4 | -144.8 | 10 | 0 | 0 | 0 | 113.5 | ||||
| 239 | V | 47.2 | Very low | 48.6 | Very low | 131 Ų | 131 | 120.4 Ų | 120.4 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | trans | -109.4 | 53.9 | 170.7 | -115.7 | 0 | 0 | 0 | 0 | 109.9 | A237 | A237-V239 VanDerWaalsContact C-N 3.32Å; A237-V239 PolarHBondContact O-N 3.33Å | ||
| 240 | S | 44.2 | Very low | 47.6 | Very low | 92 Ų | 92 | 122.5 Ų | 122.5 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | trans | -165.2 | 91.7 | 162.8 | 55.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 241 | S | 41.2 | Very low | 47.6 | Very low | 123 Ų | 123 | 118.1 Ų | 118.1 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | trans | 179 | 63.2 | 147.9 | -75.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 242 | E | 46.8 | Very low | 48.1 | Very low | 202 Ų | 202 | 117.9 Ų | 117.9 | 94% | 0.944 | 71% | 0.713 | S | S | * | * | trans | -99.9 | 87.5 | 157.5 | -75.9 | -150.2 | 160.6 | 0 | 0 | 109.2 | ||||
| 243 | S | 45.1 | Very low | 49 | Very low | 100 Ų | 100 | 117.5 Ų | 117.5 | 70% | 0.699 | 70% | 0.699 | S | S | * | * | trans | -169.3 | 126.1 | 152.1 | 53.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 244 | D | 40.5 | Very low | 50.5 | Low | 159 Ų | 159 | 117.4 Ų | 117.4 | 85% | 0.85 | 69% | 0.687 | S | S | * | * | trans | 81.7 | 97.7 | 170.6 | -61.2 | -19.2 | 0 | 0 | 0 | 118.8 | ||||
| 245 | S | 43.3 | Very low | 51.9 | Low | 75 Ų | 75 | 111.1 Ų | 111.1 | 52% | 0.524 | 67% | 0.67 | S | S | . | * | 179.8 | 97.7 | 115.4 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | M247 T248 | S245-M247 PolarHBondContact O-N 2.93Å; S245-T248 PolarHBondContact O-OG1 3.02Å; S245-T248 PolarHBondContact OG-OG1 2.95Å | |||
| 246 | A | 51 | Low | 53.3 | Low | 107 Ų | 107 | 107.6 Ų | 107.6 | 88% | 0.884 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 19.8 | 166 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 247 | M | 50.1 | Low | 54.5 | Low | 181 Ų | 181 | 107 Ų | 107 | 89% | 0.892 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.2 | 3.6 | -177.6 | -81.9 | -69.4 | 177.5 | 0 | 0 | 114.2 | S245 | S245-M247 PolarHBondContact O-N 2.93Š|
| 248 | T | 50.4 | Low | 55.6 | Low | 63 Ų | 63 | 105.9 Ų | 105.9 | 39% | 0.387 | 64% | 0.635 | S | S | . | * | trans | -109.7 | 3.1 | 177.3 | 55 | 0 | 0 | 0 | 0 | 113.6 | S245 S250 T251 V252 | S245-T248 PolarHBondContact O-OG1 3.02Å; S245-T248 PolarHBondContact OG-OG1 2.95Å; T248-S250 VanDerWaalsContact C-N 3.31Å; T248-S250 PolarHBondContact O-N 3.41Å; T248-T251 PolarHBondContact O-N 3.5Å; T248-V252 VanDerWaalsContact O-CB 3.29Å; T248-V252 WeakPolarHBondContact O-CB 3.4Å; T248-V252 WeakPolarHBondContact O-CG2 3.46Å; T248-V252 PolarHBondContact O-N 3.05Å | ||
| 249 | S | 57.4 | Low | 56.5 | Low | 84 Ų | 84 | 107.5 Ų | 107.5 | 59% | 0.587 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -59.8 | -32.9 | -173.3 | -168.4 | 0 | 0 | 0 | 0 | 114.2 | S253 | S249-S253 WeakPolarHBondContact O-CB 3.47Å; S249-S253 PolarHBondContact O-N 3.26Å; S249-S253 PolarHBondContact O-OG 2.93Å |
| 250 | S | 62.4 | Low | 57.2 | Low | 80 Ų | 80 | 105.2 Ų | 105.2 | 56% | 0.559 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -75 | -44.1 | -178.9 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | T248 K254 | T248-S250 VanDerWaalsContact C-N 3.31Å; T248-S250 PolarHBondContact O-N 3.41Å; S250-K254 WeakPolarHBondContact O-CB 3.4Å; S250-K254 VanDerWaalsContact O-CG 3.31Å; S250-K254 WeakPolarHBondContact O-CG 3.36Å; S250-K254 PolarHBondContact O-N 3.36Å |
| 251 | T | 70.6 | Confident | 58.3 | Low | 89 Ų | 89 | 102.5 Ų | 102.5 | 55% | 0.546 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72.6 | -39.8 | 178.3 | -32.6 | 0 | 0 | 0 | 0 | 110.9 | T248 K254 L255 | T248-T251 PolarHBondContact O-N 3.5Å; T251-K254 PolarHBondContact O-N 3.14Å; T251-L255 HydrophobicContact CG2-CD1 4.29Å; T251-L255 VanDerWaalsContact O-CB 3.31Å; T251-L255 WeakPolarHBondContact O-CB 3.25Å; T251-L255 WeakPolarHBondContact O-CG 3.43Å; T251-L255 PolarHBondContact O-N 3.25Å |
| 252 | V | 67.5 | Low | 59.4 | Low | 82 Ų | 82 | 98.4 Ų | 98.4 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.6 | -38.9 | 175.3 | 174.8 | 0 | 0 | 0 | 0 | 111 | T248 L255 A256 | T248-V252 VanDerWaalsContact O-CB 3.29Å; T248-V252 WeakPolarHBondContact O-CB 3.4Å; T248-V252 WeakPolarHBondContact O-CG2 3.46Å; T248-V252 PolarHBondContact O-N 3.05Å; V252-L255 PolarHBondContact O-N 2.65Å; V252-A256 VanDerWaalsContact O-CB 3.23Å; V252-A256 WeakPolarHBondContact O-CB 3.28Å; V252-A256 PolarHBondContact O-N 3.03Å |
| 253 | S | 66.8 | Low | 60.1 | Low | 63 Ų | 63 | 95.1 Ų | 95.1 | 44% | 0.441 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 173.7 | -61 | 0 | 0 | 0 | 0 | 112.3 | S249 A256 E257 | S249-S253 WeakPolarHBondContact O-CB 3.47Å; S249-S253 PolarHBondContact O-N 3.26Å; S249-S253 PolarHBondContact O-OG 2.93Å; S253-A256 PolarHBondContact O-N 3.39Å; S253-E257 VanDerWaalsContact O-CB 3.29Å; S253-E257 WeakPolarHBondContact O-CB 3.38Å; S253-E257 PolarHBondContact O-N 2.9Å |
| 254 | K | 74.7 | Confident | 60.7 | Low | 138 Ų | 138 | 91 Ų | 91 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.4 | -35.6 | 174.6 | -75.8 | 177.8 | 177.9 | -178.7 | 0 | 112.7 | S250 T251 A258 | S250-K254 WeakPolarHBondContact O-CB 3.4Å; S250-K254 VanDerWaalsContact O-CG 3.31Å; S250-K254 WeakPolarHBondContact O-CG 3.36Å; S250-K254 PolarHBondContact O-N 3.36Å; T251-K254 PolarHBondContact O-N 3.14Å; K254-A258 VanDerWaalsContact O-CB 3.23Å; K254-A258 WeakPolarHBondContact O-CB 3.21Å; K254-A258 PolarHBondContact O-N 2.68Å |
| 255 | L | 69.3 | Low | 61.3 | Low | 105 Ų | 105 | 87.6 Ų | 87.6 | 55% | 0.55 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.1 | -37.1 | 174.2 | -73.5 | 168.3 | 0 | 0 | 0 | 111.3 | T251 V252 A258 R259 | T251-L255 HydrophobicContact CG2-CD1 4.29Å; T251-L255 VanDerWaalsContact O-CB 3.31Å; T251-L255 WeakPolarHBondContact O-CB 3.25Å; T251-L255 WeakPolarHBondContact O-CG 3.43Å; T251-L255 PolarHBondContact O-N 3.25Å; V252-L255 PolarHBondContact O-N 2.65Å; L255-A258 PolarHBondContact O-N 3.28Å; L255-R259 WeakPolarHBondContact O-CB 3.12Å; L255-R259 VanDerWaalsContact O-CG 3.31Å; L255-R259 WeakPolarHBondContact O-CG 3.48Å; L255-R259 PolarHBondContact O-N 3.35Å |
| 256 | A | 64.6 | Low | 61.8 | Low | 44 Ų | 44 | 86.2 Ų | 86.2 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.5 | -35.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V252 S253 R260 | V252-A256 VanDerWaalsContact O-CB 3.23Å; V252-A256 WeakPolarHBondContact O-CB 3.28Å; V252-A256 PolarHBondContact O-N 3.03Å; S253-A256 PolarHBondContact O-N 3.39Å; A256-R260 WeakPolarHBondContact O-CB 3.43Å; A256-R260 VanDerWaalsContact O-CG 3.24Å; A256-R260 WeakPolarHBondContact O-CG 3.46Å; A256-R260 PolarHBondContact O-N 3.14Å; A256-R260 PolarHBondContact O-NE 3.16Å |
| 257 | E | 66.4 | Low | 62 | Low | 105 Ų | 105 | 89 Ų | 89 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 170.1 | -172.5 | 179.6 | -178.4 | 0 | 0 | 111.4 | S253 R259 R260 T261 | S253-E257 VanDerWaalsContact O-CB 3.29Å; S253-E257 WeakPolarHBondContact O-CB 3.38Å; S253-E257 PolarHBondContact O-N 2.9Å; E257-R259 VanDerWaalsContact C-N 3.34Å; E257-R259 PolarHBondContact O-N 3.23Å; E257-R260 CarbonylContact O-C 3.28Å; E257-R260 WeakPolarHBondContact O-CA 3.5Å; E257-R260 WeakPolarHBondContact O-CB 3.17Å; E257-R260 PolarHBondContact O-N 3.15Å; E257-T261 PolarHBondContact O-N 3.29Å |
| 258 | A | 66.8 | Low | 62.5 | Low | 54 Ų | 54 | 88.8 Ų | 88.8 | 45% | 0.446 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.3 | -35.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K254 L255 R260 T261 | K254-A258 VanDerWaalsContact O-CB 3.23Å; K254-A258 WeakPolarHBondContact O-CB 3.21Å; K254-A258 PolarHBondContact O-N 2.68Å; L255-A258 PolarHBondContact O-N 3.28Å; A258-R260 PolarHBondContact O-N 3.01Å; A258-T261 WeakPolarHBondContact CA-OG1 3.38Å; A258-T261 PolarHBondContact O-N 2.99Å; A258-T261 PolarHBondContact O-OG1 3.09Å |
| 259 | R | 59.9 | Low | 63 | Low | 180 Ų | 180 | 86.8 Ų | 86.8 | 68% | 0.679 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -69.4 | -22.5 | 172 | -75.3 | -176.6 | 86.2 | 168.7 | 5.8 | 113 | L255 E257 | L255-R259 WeakPolarHBondContact O-CB 3.12Å; L255-R259 VanDerWaalsContact O-CG 3.31Å; L255-R259 WeakPolarHBondContact O-CG 3.48Å; L255-R259 PolarHBondContact O-N 3.35Å; E257-R259 VanDerWaalsContact C-N 3.34Å; E257-R259 PolarHBondContact O-N 3.23Å |
| 260 | R | 62.3 | Low | 63 | Low | 84 Ų | 84 | 86.7 Ų | 86.7 | 32% | 0.317 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -85.8 | -20.1 | 174.7 | -77.8 | -174 | -68.2 | 164.8 | 2.1 | 112.5 | A256 E257 A258 C270 D271 D272 | A256-R260 WeakPolarHBondContact O-CB 3.43Å; A256-R260 VanDerWaalsContact O-CG 3.24Å; A256-R260 WeakPolarHBondContact O-CG 3.46Å; A256-R260 PolarHBondContact O-N 3.14Å; A256-R260 PolarHBondContact O-NE 3.16Å; E257-R260 CarbonylContact O-C 3.28Å; E257-R260 WeakPolarHBondContact O-CA 3.5Å; E257-R260 WeakPolarHBondContact O-CB 3.17Å; E257-R260 PolarHBondContact O-N 3.15Å; A258-R260 PolarHBondContact O-N 3.01Å; R260-C270 CarbonylContact O-C 3.51Å; R260-C270 WeakPolarHBondContact O-CA 3.2Å; R260-D271 WeakPolarHBondContact CB-O 3.46Å; R260-D271 WeakPolarHBondContact CD-O 3.18Å; R260-D271 WeakPolarHBondContact CG-O 3.49Å; R260-D271 PolarHBondContact O-N 3.23Å; R260-D272 IonicContact NH1-OD1 2.67Å; R260-D272 PolarHBondContact NH1-OD1 2.99Å |
| 261 | T | 67.1 | Low | 62.9 | Low | 35 Ų | 35 | 83.4 Ų | 83.4 | 22% | 0.215 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 113.9 | 175.1 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | E257 A258 V269 C270 | E257-T261 PolarHBondContact O-N 3.29Å; A258-T261 WeakPolarHBondContact CA-OG1 3.38Å; A258-T261 PolarHBondContact O-N 2.99Å; A258-T261 PolarHBondContact O-OG1 3.09Å; T261-V269 CarbonylContact C-O 3.55Å; T261-V269 VanDerWaalsContact CA-O 3.29Å; T261-V269 WeakPolarHBondContact CA-O 3.46Å; T261-C270 HydrophobicContact CG2-CB 4.39Å; T261-C270 WeakPolarHBondContact CG2-SG 3.42Å |
| 262 | T | 64.1 | Low | 62.2 | Low | 37 Ų | 37 | 85.1 Ų | 85.1 | 23% | 0.227 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 135.7 | 171.1 | -54.6 | 0 | 0 | 0 | 0 | 109.9 | L264 V269 | T262-L264 HydrophobicContact CG2-CD2 3.75Å; T262-L264 HydrophobicContact CG2-CG 3.96Å; T262-V269 PolarHBondContact N-O 3.01Å; T262-V269 PolarHBondContact O-N 3.1Å |
| 263 | Y | 62.3 | Low | 61.6 | Low | 132 Ų | 132 | 84.1 Ų | 84.1 | 52% | 0.518 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 109 | 175.8 | -173.1 | -102.8 | 0 | 0 | 0 | 110 | G266 R267 W268 | Y263-G266 VanDerWaalsContact CE2-C 3.42Å; Y263-G266 VanDerWaalsContact CZ-CA 3.47Å; Y263-G266 VanDerWaalsContact OH-CA 3.28Å; Y263-G266 WeakPolarHBondContact OH-CA 3.39Å; Y263-R267 WeakPolarHBondContact CA-O 3.33Å; Y263-W268 AromaticContact CD2-CD1 3.91Å; Y263-W268 AromaticContact CD2-CD2 3.86Å; Y263-W268 HydrophobicContact CD2-CD2 3.86Å; Y263-W268 AromaticContact CD2-CE2 3.76Å; Y263-W268 HydrophobicContact CD2-CE3 4.48Å; Y263-W268 AromaticContact CD2-CG 3.97Å; Y263-W268 HydrophobicContact CD2-CG 3.97Å; Y263-W268 HydrophobicContact CD2-CZ2 4.32Å; Y263-W268 AromaticContact CD2-NE1 3.77Å |
| 264 | L | 57.8 | Low | 61 | Low | 14 Ų | 14 | 86 Ų | 86 | 7% | 0.073 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 119.1 | -178.5 | -61.2 | 177.4 | 0 | 0 | 0 | 109.7 | T262 G266 R267 N291 D293 L390 | T262-L264 HydrophobicContact CG2-CD2 3.75Å; T262-L264 HydrophobicContact CG2-CG 3.96Å; L264-G266 PolarHBondContact O-N 2.93Å; L264-R267 PolarHBondContact N-O 3.29Å; L264-R267 PolarHBondContact O-N 3.41Å; L264-N291 HydrophobicContact CD1-CB 4.29Å; L264-N291 WeakPolarHBondContact CD1-O 3.46Å; L264-D293 HydrophobicContact CD2-CB 3.55Å; L264-L390 HydrophobicContact CB-CD1 4.33Å; L264-L390 HydrophobicContact CD1-CD1 4.2Å |
| 265 | S | 53 | Low | 60 | Low | 88 Ų | 88 | 81.5 Ų | 81.5 | 62% | 0.615 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 40.4 | 170.4 | -57.6 | 0 | 0 | 0 | 0 | 115.1 | V426 | S265-V426 VanDerWaalsContact CB-CG1 3.44Å; S265-V426 VanDerWaalsContact O-CG1 3.29Å; S265-V426 WeakPolarHBondContact O-CG1 3.21Å |
| 266 | G | 54.4 | Low | 59.5 | Low | 45 Ų | 45 | 81.5 Ų | 81.5 | 46% | 0.464 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.5 | -5.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y263 L264 | Y263-G266 VanDerWaalsContact CE2-C 3.42Å; Y263-G266 VanDerWaalsContact CZ-CA 3.47Å; Y263-G266 VanDerWaalsContact OH-CA 3.28Å; Y263-G266 WeakPolarHBondContact OH-CA 3.39Å; L264-G266 PolarHBondContact O-N 2.93Å |
| 267 | R | 55.1 | Low | 60 | Low | 167 Ų | 167 | 80.6 Ų | 80.6 | 63% | 0.63 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133 | 138.6 | -173.7 | -162.9 | 178.9 | -166 | -175.6 | 4.3 | 112.3 | Y263 L264 | Y263-R267 WeakPolarHBondContact CA-O 3.33Å; L264-R267 PolarHBondContact N-O 3.29Å; L264-R267 PolarHBondContact O-N 3.41Å |
| 268 | W | 60.5 | Low | 61 | Low | 175 Ų | 175 | 76.5 Ų | 76.5 | 66% | 0.663 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 122.2 | 166.5 | -68.2 | 99.3 | 0 | 0 | 0 | 109.6 | Y263 | Y263-W268 AromaticContact CD2-CD1 3.91Å; Y263-W268 AromaticContact CD2-CD2 3.86Å; Y263-W268 HydrophobicContact CD2-CD2 3.86Å; Y263-W268 AromaticContact CD2-CE2 3.76Å; Y263-W268 HydrophobicContact CD2-CE3 4.48Å; Y263-W268 AromaticContact CD2-CG 3.97Å; Y263-W268 HydrophobicContact CD2-CG 3.97Å; Y263-W268 HydrophobicContact CD2-CZ2 4.32Å; Y263-W268 AromaticContact CD2-NE1 3.77Å |
| 269 | V | 59.5 | Low | 62.1 | Low | 22 Ų | 22 | 74 Ų | 74 | 13% | 0.133 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122.7 | 177.8 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | T261 T262 L390 | T261-V269 CarbonylContact C-O 3.55Å; T261-V269 VanDerWaalsContact CA-O 3.29Å; T261-V269 WeakPolarHBondContact CA-O 3.46Å; T262-V269 PolarHBondContact N-O 3.01Å; T262-V269 PolarHBondContact O-N 3.1Å; V269-L390 HydrophobicContact CG2-CD1 4.37Å |
| 270 | C | 58 | Low | 63.6 | Low | 81 Ų | 81 | 65.5 Ų | 65.5 | 55% | 0.547 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 115.3 | 172.5 | -56 | 0 | 0 | 0 | 0 | 109.1 | R260 T261 | R260-C270 CarbonylContact O-C 3.51Å; R260-C270 WeakPolarHBondContact O-CA 3.2Å; T261-C270 HydrophobicContact CG2-CB 4.39Å; T261-C270 WeakPolarHBondContact CG2-SG 3.42Å |
| 271 | D | 59.3 | Low | 65 | Low | 11 Ų | 11 | 61.5 Ų | 61.5 | 6% | 0.059 | 33% | 0.332 | C | S | . | . | trans | -97.9 | 126.8 | 168.9 | -169.2 | -2 | 0 | 0 | 0 | 109.3 | R260 H273 N290 | R260-D271 WeakPolarHBondContact CB-O 3.46Å; R260-D271 WeakPolarHBondContact CD-O 3.18Å; R260-D271 WeakPolarHBondContact CG-O 3.49Å; R260-D271 PolarHBondContact O-N 3.23Å; D271-H273 PolarHBondContact O-N 3.35Å; D271-H273 IonicContact OD1-CG 2.74Å; D271-H273 PolarHBondContact OD1-N 2.89Å; D271-H273 IonicContact OD1-ND1 3.17Å; D271-H273 PolarHBondContact OD1-ND1 3.47Å; D271-N290 PolarHBondContact OD2-ND2 3.27Å | ||
| 272 | D | 57.7 | Low | 66.1 | Low | 126 Ų | 126 | 62.2 Ų | 62.2 | 67% | 0.674 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -70.6 | -13.5 | 175.4 | -75.3 | -41.5 | 0 | 0 | 0 | 112.9 | R260 | R260-D272 IonicContact NH1-OD1 2.67Å; R260-D272 PolarHBondContact NH1-OD1 2.99Å |
| 273 | H | 55 | Low | 67.1 | Low | 61 Ų | 61 | 61.3 Ų | 61.3 | 28% | 0.282 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -98.7 | 136 | 176.7 | -54.1 | 75.2 | 0 | 0 | 0 | 108.8 | D271 G275 R394 | D271-H273 PolarHBondContact O-N 3.35Å; D271-H273 IonicContact OD1-CG 2.74Å; D271-H273 PolarHBondContact OD1-N 2.89Å; D271-H273 IonicContact OD1-ND1 3.17Å; D271-H273 PolarHBondContact OD1-ND1 3.47Å; H273-G275 PolarHBondContact O-N 3.37Å; H273-R394 PolarHBondContact CE1-NH2 3.01Å; H273-R394 VanDerWaalsContact CE1-NH2 3.34Å; H273-R394 PolarHBondContact NE2-NH2 3.06Å |
| 274 | N | 53 | Low | 68 | Low | 101 Ų | 101 | 58.6 Ų | 58.6 | 54% | 0.54 | 33% | 0.333 | S | S | . | . | trans | -47.1 | 133.3 | 176.6 | -98.6 | 23.2 | 0 | 0 | 0 | 109.8 | D276 T277 | N274-D276 PolarHBondContact O-N 2.88Å; N274-T277 PolarHBondContact O-N 3.4Å; N274-T277 PolarHBondContact O-OG1 3.44Å | ||
| 275 | G | 53.6 | Low | 69.1 | Low | 45 Ų | 45 | 68.1 Ų | 68.1 | 46% | 0.464 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -0.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | H273 | H273-G275 PolarHBondContact O-N 3.37Š|
| 276 | D | 59.5 | Low | 70.8 | Confident | 104 Ų | 104 | 65.4 Ų | 65.4 | 56% | 0.556 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 4 | 175.7 | -58.4 | -35.8 | 0 | 0 | 0 | 113.5 | T231 N274 | T231-D276 PolarHBondContact OG1-O 2.71Å; N274-D276 PolarHBondContact O-N 2.88Å |
| 277 | T | 75.6 | Confident | 72.5 | Confident | 25 Ų | 25 | 64.6 Ų | 64.6 | 15% | 0.153 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 117.5 | -179.2 | -38.7 | 0 | 0 | 0 | 0 | 109.7 | N274 N290 | N274-T277 PolarHBondContact O-N 3.4Å; N274-T277 PolarHBondContact O-OG1 3.44Å; T277-N290 WeakPolarHBondContact O-CB 3.49Å; T277-N290 PolarHBondContact O-N 2.79Å |
| 278 | S | 85.4 | Confident | 74.1 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 13% | 0.133 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 149.1 | 172.1 | 57.8 | 0 | 0 | 0 | 0 | 109.8 | V229 L288 | V229-S278 WeakPolarHBondContact CB-OG 3.36Å; V229-S278 PolarHBondContact N-O 3.48Å; S278-L288 WeakPolarHBondContact CA-O 3.31Å |
| 279 | I | 90.7 | Very high | 75.5 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.4 | 176.2 | -58.7 | 174.9 | 0 | 0 | 0 | 107.3 | I226 S287 L288 N290 L393 R394 | I226-I279 HydrophobicContact CG2-CG2 3.55Å; I279-S287 CarbonylContact O-C 3.6Å; I279-S287 WeakPolarHBondContact O-CA 3.45Å; I279-L288 PolarHBondContact N-O 3.16Å; I279-L288 PolarHBondContact O-N 2.84Å; I279-N290 HydrophobicContact CD1-CB 4.47Å; I279-N290 VanDerWaalsContact CD1-OD1 3.3Å; I279-N290 WeakPolarHBondContact CD1-OD1 3.33Å; I279-L393 HydrophobicContact CB-CB 3.93Å; I279-L393 HydrophobicContact CB-CD1 4.12Å; I279-L393 HydrophobicContact CD1-CB 4.33Å; I279-L393 HydrophobicContact CG2-CB 3.61Å; I279-L393 HydrophobicContact CG2-CD1 3.97Å; I279-L393 HydrophobicContact CG2-CG 4.44Å; I279-L393 VanDerWaalsContact O-CD1 3.25Å; I279-L393 WeakPolarHBondContact O-CD1 3.45Å; I279-R394 HydrophobicContact CD1-CB 3.68Å; I279-R394 HydrophobicContact CD1-CG 4.33Å |
| 280 | S | 91.9 | Very high | 76.6 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.014 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 151.1 | 176.3 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | I226 E227 V229 G283 I286 | I226-S280 WeakPolarHBondContact CA-O 3.43Å; E227-S280 PolarHBondContact N-O 3.47Å; E227-S280 PolarHBondContact O-N 2.95Å; E227-S280 PolarHBondContact O-OG 3.04Å; V229-S280 VanDerWaalsContact CG2-CB 3.49Å; V229-S280 WeakPolarHBondContact CG2-OG 3.2Å; S280-G283 VanDerWaalsContact CB-O 3.29Å; S280-G283 WeakPolarHBondContact CB-O 3.2Å; S280-I286 CarbonylContact C-O 3.5Å; S280-I286 VanDerWaalsContact CA-O 3.28Å; S280-I286 WeakPolarHBondContact CA-O 3.21Å |
| 281 | I | 92.1 | Very high | 77.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 124.8 | 168.8 | -174.3 | 168 | 0 | 0 | 0 | 108.7 | F224 P225 I226 G283 I286 A324 A328 L331 L393 | F224-I281 HydrophobicContact CD1-CD1 4.3Å; F224-I281 HydrophobicContact CD1-CG1 4.45Å; P225-I281 CarbonylContact O-C 3.51Å; P225-I281 WeakPolarHBondContact O-CA 3.29Å; I226-I281 HydrophobicContact CG1-CG1 4.41Å; I281-G283 PolarHBondContact O-N 3.13Å; I281-I286 HydrophobicContact CG2-CG2 3.79Å; I281-I286 PolarHBondContact N-O 3.08Å; I281-I286 VanDerWaalsContact O-CB 3.26Å; I281-I286 WeakPolarHBondContact O-CB 3.34Å; I281-I286 VanDerWaalsContact O-CG2 3.24Å; I281-I286 WeakPolarHBondContact O-CG2 3.4Å; I281-A324 HydrophobicContact CG2-CB 3.81Å; I281-A328 HydrophobicContact CD1-CB 4.38Å; I281-L331 HydrophobicContact CD1-CD2 4.36Å; I281-L393 HydrophobicContact CB-CD1 4.19Å; I281-L393 HydrophobicContact CB-CD2 4.25Å; I281-L393 HydrophobicContact CD1-CD2 4.11Å; I281-L393 HydrophobicContact CG2-CD1 4.14Å; I281-L393 HydrophobicContact CG2-CD2 4.36Å |
| 282 | T | 89.6 | Confident | 78.8 | Confident | 51 Ų | 51 | 46.5 Ų | 46.5 | 31% | 0.313 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 66.1 | 16.8 | -178.9 | -42.1 | 0 | 0 | 0 | 0 | 113.7 | P225 | P225-T282 PolarHBondContact O-N 3.46Š|
| 283 | G | 84.8 | Confident | 80.1 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 19% | 0.186 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 131.4 | 164.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S280 I281 W285 I286 | S280-G283 VanDerWaalsContact CB-O 3.29Å; S280-G283 WeakPolarHBondContact CB-O 3.2Å; I281-G283 PolarHBondContact O-N 3.13Å; G283-W285 PolarHBondContact O-N 3.22Å; G283-I286 PolarHBondContact O-N 3Å; G283-I286 VanDerWaalsContact O-N 3.08Å |
| 284 | P | 82 | Confident | 81.7 | Confident | 75 Ų | 75 | 40.7 Ų | 40.7 | 49% | 0.487 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.1 | -167.8 | -25.2 | 34.2 | 0 | 0 | 0 | 115.8 | ||
| 285 | W | 80.1 | Confident | 83.3 | Confident | 213 Ų | 213 | 38.3 Ų | 38.3 | 81% | 0.807 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -11.3 | -176.4 | -21.5 | 92.6 | 0 | 0 | 0 | 113.5 | G283 T320 | G283-W285 PolarHBondContact O-N 3.22Å; W285-T320 WeakPolarHBondContact O-CG2 3.3Å; W285-T320 PolarHBondContact O-OG1 2.92Å |
| 286 | I | 88.6 | Confident | 84.8 | Confident | 32 Ų | 32 | 38.3 Ų | 38.3 | 16% | 0.164 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -115.8 | 83 | -178.3 | -60.4 | 162.3 | 0 | 0 | 0 | 106.2 | S280 I281 G283 A323 A324 Y327 | S280-I286 CarbonylContact C-O 3.5Å; S280-I286 VanDerWaalsContact CA-O 3.28Å; S280-I286 WeakPolarHBondContact CA-O 3.21Å; I281-I286 HydrophobicContact CG2-CG2 3.79Å; I281-I286 PolarHBondContact N-O 3.08Å; I281-I286 VanDerWaalsContact O-CB 3.26Å; I281-I286 WeakPolarHBondContact O-CB 3.34Å; I281-I286 VanDerWaalsContact O-CG2 3.24Å; I281-I286 WeakPolarHBondContact O-CG2 3.4Å; G283-I286 PolarHBondContact O-N 3Å; G283-I286 VanDerWaalsContact O-N 3.08Å; I286-A323 HydrophobicContact CG2-CB 4.39Å; I286-A324 VanDerWaalsContact CG2-CA 3.48Å; I286-A324 HydrophobicContact CG2-CB 3.56Å; I286-Y327 HydrophobicContact CD1-CD2 4.35Å; I286-Y327 HydrophobicContact CD1-CE2 3.81Å; I286-Y327 HydrophobicContact CG2-CD2 3.97Å; I286-Y327 HydrophobicContact CG2-CE2 4.4Å |
| 287 | S | 89.5 | Confident | 86.2 | Confident | 28 Ų | 28 | 33.5 Ų | 33.5 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 146.5 | -171.5 | 63.6 | 0 | 0 | 0 | 0 | 113 | I279 | I279-S287 CarbonylContact O-C 3.6Å; I279-S287 WeakPolarHBondContact O-CA 3.45Å |
| 288 | L | 90.5 | Very high | 86.7 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 143.9 | 170.8 | -64.5 | 172.9 | 0 | 0 | 0 | 110.5 | S278 I279 Y294 I321 A324 L325 T392 L393 | S278-L288 WeakPolarHBondContact CA-O 3.31Å; I279-L288 PolarHBondContact N-O 3.16Å; I279-L288 PolarHBondContact O-N 2.84Å; L288-Y294 HydrophobicContact CB-CE1 4.23Å; L288-Y294 HydrophobicContact CD2-CD1 4.26Å; L288-Y294 HydrophobicContact CD2-CE1 3.64Å; L288-Y294 HydrophobicContact CG-CE1 4.32Å; L288-I321 HydrophobicContact CD2-CB 4.1Å; L288-I321 HydrophobicContact CD2-CG1 4.16Å; L288-I321 HydrophobicContact CD2-CG2 3.78Å; L288-A324 HydrophobicContact CD1-CB 3.92Å; L288-A324 HydrophobicContact CD2-CB 3.79Å; L288-A324 HydrophobicContact CG-CB 3.55Å; L288-L325 HydrophobicContact CD1-CD2 3.64Å; L288-L325 HydrophobicContact CD1-CG 3.99Å; L288-L325 HydrophobicContact CD2-CD2 4.42Å; L288-L325 HydrophobicContact CD2-CG 4.09Å; L288-T392 HydrophobicContact CD1-CG2 4.49Å; L288-L393 HydrophobicContact CB-CD1 3.86Å; L288-L393 HydrophobicContact CB-CG 4.3Å; L288-L393 HydrophobicContact CD1-CD1 3.87Å; L288-L393 HydrophobicContact CD1-CD2 4.32Å; L288-L393 HydrophobicContact CD1-CG 3.78Å; L288-L393 HydrophobicContact CG-CD1 3.99Å; L288-L393 HydrophobicContact CG-CG 4.4Å |
| 289 | P | 88.3 | Confident | 86.6 | Confident | 39 Ų | 39 | 37.1 Ų | 37.1 | 25% | 0.253 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 135.4 | 171.3 | 25.3 | -31.2 | 0 | 0 | 0 | 110.1 | N291 G292 D293 Y294 | P289-N291 VanDerWaalsContact C-N 3.27Å; P289-N291 PolarHBondContact O-N 3.16Å; P289-G292 PolarHBondContact O-N 2.96Å; P289-D293 WeakPolarHBondContact CG-O 3.35Å; P289-Y294 HydrophobicContact CG-CD1 4.08Å; P289-Y294 HydrophobicContact CG-CE1 4.09Å |
| 290 | N | 83.1 | Confident | 86.4 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -37.9 | -174.5 | -179.1 | 56.1 | 0 | 0 | 0 | 112.9 | D271 T277 I279 G292 H391 R394 | D271-N290 PolarHBondContact OD2-ND2 3.27Å; T277-N290 WeakPolarHBondContact O-CB 3.49Å; T277-N290 PolarHBondContact O-N 2.79Å; I279-N290 HydrophobicContact CD1-CB 4.47Å; I279-N290 VanDerWaalsContact CD1-OD1 3.3Å; I279-N290 WeakPolarHBondContact CD1-OD1 3.33Å; N290-G292 PolarHBondContact O-N 3.09Å; N290-H391 PolarHBondContact O-CD2 2.83Å; N290-H391 VanDerWaalsContact O-CG 3.22Å; N290-R394 WeakPolarHBondContact OD1-CB 3.33Å |
| 291 | N | 80.1 | Confident | 85.9 | Confident | 14 Ų | 14 | 38.9 Ų | 38.9 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -6.9 | -177.4 | 64.7 | -2.9 | 0 | 0 | 0 | 114 | L264 P289 D293 | L264-N291 HydrophobicContact CD1-CB 4.29Å; L264-N291 WeakPolarHBondContact CD1-O 3.46Å; P289-N291 VanDerWaalsContact C-N 3.27Å; P289-N291 PolarHBondContact O-N 3.16Å; N291-D293 VanDerWaalsContact C-N 3.33Å; N291-D293 WeakPolarHBondContact OD1-CB 3.37Å; N291-D293 PolarHBondContact OD1-N 2.92Å |
| 292 | G | 83.1 | Confident | 85.4 | Confident | 14 Ų | 14 | 43.3 Ų | 43.3 | 14% | 0.144 | 24% | 0.241 | C | C | . | . | trans | 75.4 | 18.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | P289 N290 Y294 | P289-G292 PolarHBondContact O-N 2.96Å; N290-G292 PolarHBondContact O-N 3.09Å; G292-Y294 WeakPolarHBondContact O-CD2 3.22Å; G292-Y294 PolarHBondContact O-N 2.66Å | ||
| 293 | D | 84.9 | Confident | 84.8 | Confident | 55 Ų | 55 | 46.7 Ų | 46.7 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | trans | -79.1 | 94.1 | 174.2 | -172.6 | 7.9 | 0 | 0 | 0 | 112.2 | L264 P289 N291 S295 | L264-D293 HydrophobicContact CD2-CB 3.55Å; P289-D293 WeakPolarHBondContact CG-O 3.35Å; N291-D293 VanDerWaalsContact C-N 3.33Å; N291-D293 WeakPolarHBondContact OD1-CB 3.37Å; N291-D293 PolarHBondContact OD1-N 2.92Å; D293-S295 VanDerWaalsContact CG-OG 3.32Å; D293-S295 PolarHBondContact O-N 3.37Å; D293-S295 WeakPolarHBondContact OD1-CB 3.24Å; D293-S295 PolarHBondContact OD1-N 2.85Å; D293-S295 PolarHBondContact OD1-OG 3.39Å; D293-S295 PolarHBondContact OD2-OG 3.19Å; D293-S295 VanDerWaalsContact OD2-OG 3.1Å | ||
| 294 | Y | 89.1 | Confident | 84.2 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | trans | -87.8 | 22.4 | 176.9 | -52.8 | -56.1 | 0 | 0 | 0 | 113.6 | L288 P289 G292 A296 Y297 I321 F362 V366 T392 | L288-Y294 HydrophobicContact CB-CE1 4.23Å; L288-Y294 HydrophobicContact CD2-CD1 4.26Å; L288-Y294 HydrophobicContact CD2-CE1 3.64Å; L288-Y294 HydrophobicContact CG-CE1 4.32Å; P289-Y294 HydrophobicContact CG-CD1 4.08Å; P289-Y294 HydrophobicContact CG-CE1 4.09Å; G292-Y294 WeakPolarHBondContact O-CD2 3.22Å; G292-Y294 PolarHBondContact O-N 2.66Å; Y294-A296 PolarHBondContact O-N 3Å; Y294-Y297 VanDerWaalsContact O-CB 3.3Å; Y294-Y297 WeakPolarHBondContact O-CB 3.31Å; Y294-Y297 PolarHBondContact O-N 3.42Å; Y294-I321 HydrophobicContact CD1-CG2 3.89Å; Y294-I321 HydrophobicContact CE1-CG2 4.47Å; Y294-I321 HydrophobicContact CG-CG2 4.45Å; Y294-F362 AromaticContact CD2-CE1 3.89Å; Y294-F362 HydrophobicContact CD2-CE1 3.89Å; Y294-F362 HydrophobicContact CD2-CZ 4.4Å; Y294-F362 AromaticContact CG-CE1 3.9Å; Y294-F362 HydrophobicContact CG-CE1 3.9Å; Y294-F362 HydrophobicContact CG-CZ 4.16Å; Y294-V366 HydrophobicContact CD2-CG1 4.15Å; Y294-V366 HydrophobicContact CD2-CG2 4.28Å; Y294-V366 HydrophobicContact CE2-CG1 3.57Å; Y294-V366 HydrophobicContact CE2-CG2 4.19Å; Y294-T392 WeakPolarHBondContact OH-CB 3.38Å; Y294-T392 PolarHBondContact OH-OG1 2.77Å | ||
| 295 | S | 85.8 | Confident | 83.4 | Confident | 50 Ų | 50 | 53.5 Ų | 53.5 | 35% | 0.35 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -53 | -37.5 | 179.5 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | D293 Y297 Y298 S299 | D293-S295 VanDerWaalsContact CG-OG 3.32Å; D293-S295 PolarHBondContact O-N 3.37Å; D293-S295 WeakPolarHBondContact OD1-CB 3.24Å; D293-S295 PolarHBondContact OD1-N 2.85Å; D293-S295 PolarHBondContact OD1-OG 3.39Å; D293-S295 PolarHBondContact OD2-OG 3.19Å; D293-S295 VanDerWaalsContact OD2-OG 3.1Å; S295-Y297 PolarHBondContact O-N 3.38Å; S295-Y298 PolarHBondContact O-N 3.34Å; S295-Y298 VanDerWaalsContact O-N 3.1Å; S295-S299 PolarHBondContact O-N 3.34Å; S295-S299 PolarHBondContact O-OG 3.4Å |
| 296 | A | 85.7 | Confident | 82.5 | Confident | 46 Ų | 46 | 48.9 Ų | 48.9 | 38% | 0.38 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59 | -32.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y294 W300 P317 I321 | Y294-A296 PolarHBondContact O-N 3Å; A296-W300 WeakPolarHBondContact O-CB 3.26Å; A296-W300 PolarHBondContact O-N 2.87Å; A296-P317 HydrophobicContact CB-CB 4.23Å; A296-I321 HydrophobicContact CB-CD1 4.24Å |
| 297 | Y | 88.2 | Confident | 81 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.9 | -48.9 | 173.4 | 175.4 | -85.3 | 0 | 0 | 0 | 110.7 | Y294 S295 W300 V301 A318 I321 S322 L357 F362 | Y294-Y297 VanDerWaalsContact O-CB 3.3Å; Y294-Y297 WeakPolarHBondContact O-CB 3.31Å; Y294-Y297 PolarHBondContact O-N 3.42Å; S295-Y297 PolarHBondContact O-N 3.38Å; Y297-W300 PolarHBondContact O-N 3.36Å; Y297-V301 HydrophobicContact CD1-CG2 4.16Å; Y297-V301 HydrophobicContact CE1-CG2 3.72Å; Y297-V301 HydrophobicContact CE2-CG2 4.22Å; Y297-V301 WeakPolarHBondContact O-CG2 3.49Å; Y297-V301 PolarHBondContact O-N 3.35Å; Y297-A318 HydrophobicContact CD2-CB 3.68Å; Y297-A318 HydrophobicContact CE2-CB 4Å; Y297-A318 HydrophobicContact CG-CB 4.46Å; Y297-I321 HydrophobicContact CD2-CG2 4.39Å; Y297-S322 WeakPolarHBondContact CE2-OG 3.12Å; Y297-L357 PolarHBondContact OH-N 2.94Å; Y297-L357 PolarHBondContact OH-O 3.45Å; Y297-F362 HydrophobicContact CD1-CD1 4.27Å; Y297-F362 AromaticContact CD1-CD2 3.86Å; Y297-F362 HydrophobicContact CD1-CD2 3.86Å; Y297-F362 HydrophobicContact CD1-CE1 4.33Å; Y297-F362 AromaticContact CD1-CE2 3.94Å; Y297-F362 HydrophobicContact CD1-CE2 3.94Å; Y297-F362 HydrophobicContact CD1-CG 4.02Å; Y297-F362 HydrophobicContact CD1-CZ 4.16Å; Y297-F362 HydrophobicContact CD2-CD2 4.29Å; Y297-F362 AromaticContact CD2-CE2 3.78Å; Y297-F362 HydrophobicContact CD2-CE2 3.78Å; Y297-F362 HydrophobicContact CD2-CZ 4.25Å; Y297-F362 HydrophobicContact CE1-CB 4.11Å; Y297-F362 HydrophobicContact CE1-CD1 4.44Å; Y297-F362 AromaticContact CE1-CD2 3.47Å; Y297-F362 HydrophobicContact CE1-CD2 3.47Å; Y297-F362 VanDerWaalsContact CE1-CD2 3.47Å; Y297-F362 AromaticContact CE1-CE2 3.93Å; Y297-F362 HydrophobicContact CE1-CE2 3.93Å; Y297-F362 AromaticContact CE1-CG 3.75Å; Y297-F362 HydrophobicContact CE1-CG 3.75Å; Y297-F362 AromaticContact CE2-CD2 3.95Å; Y297-F362 HydrophobicContact CE2-CD2 3.95Å; Y297-F362 AromaticContact CE2-CE2 3.78Å; Y297-F362 HydrophobicContact CE2-CE2 3.78Å; Y297-F362 HydrophobicContact CG-CD2 4.28Å; Y297-F362 AromaticContact CG-CE2 3.89Å; Y297-F362 HydrophobicContact CG-CE2 3.89Å; Y297-F362 HydrophobicContact CG-CZ 4.02Å; Y297-F362 AromaticContact CZ-CD2 3.53Å; Y297-F362 AromaticContact CZ-CE2 3.87Å |
| 298 | Y | 86.1 | Confident | 79.2 | Confident | 42 Ų | 42 | 60.1 Ų | 60.1 | 17% | 0.165 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.7 | -44.6 | -177.3 | -51.2 | -52.3 | 0 | 0 | 0 | 112.1 | S295 W300 V301 E302 K359 F362 T363 | S295-Y298 PolarHBondContact O-N 3.34Å; S295-Y298 VanDerWaalsContact O-N 3.1Å; Y298-W300 VanDerWaalsContact C-N 3.28Å; Y298-W300 PolarHBondContact O-N 3.31Å; Y298-V301 PolarHBondContact O-N 2.98Å; Y298-E302 WeakPolarHBondContact O-CG 3.37Å; Y298-E302 PolarHBondContact O-N 3.22Å; Y298-K359 HydrophobicContact CD1-CB 3.88Å; Y298-K359 HydrophobicContact CD1-CD 4.4Å; Y298-K359 HydrophobicContact CD1-CG 3.71Å; Y298-K359 HydrophobicContact CD2-CG 4.47Å; Y298-K359 HydrophobicContact CE1-CB 4.1Å; Y298-K359 HydrophobicContact CE1-CG 3.71Å; Y298-K359 HydrophobicContact CE2-CG 4.5Å; Y298-K359 HydrophobicContact CG-CD 4.35Å; Y298-K359 HydrophobicContact CG-CG 4.13Å; Y298-F362 HydrophobicContact CE1-CB 4.22Å; Y298-F362 AromaticContact CE1-CD1 3.52Å; Y298-F362 HydrophobicContact CE1-CD1 3.52Å; Y298-F362 HydrophobicContact CE1-CE1 4.14Å; Y298-F362 HydrophobicContact CE1-CG 4.09Å; Y298-F362 AromaticContact CZ-CD1 3.72Å; Y298-F362 VanDerWaalsContact OH-CD1 3.25Å; Y298-F362 WeakPolarHBondContact OH-CD1 3.35Å; Y298-T363 PolarHBondContact OH-OG1 2.91Å; Y298-T363 VanDerWaalsContact OH-OG1 3.11Å |
| 299 | S | 84.9 | Confident | 77.4 | Confident | 79 Ų | 79 | 62.3 Ų | 62.3 | 55% | 0.552 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -56.6 | -45.1 | 178.8 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | S295 E303 | S295-S299 PolarHBondContact O-N 3.34Å; S295-S299 PolarHBondContact O-OG 3.4Å; S299-E303 WeakPolarHBondContact O-CB 3.4Å; S299-E303 PolarHBondContact O-N 3.48Å |
| 300 | W | 84.9 | Confident | 75.5 | Confident | 34 Ų | 34 | 66.3 Ų | 66.3 | 13% | 0.129 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.6 | -41.8 | 179 | -173.8 | 87.6 | 0 | 0 | 0 | 113 | A296 Y297 Y298 E302 E303 K304 N316 P317 A318 N356 | A296-W300 WeakPolarHBondContact O-CB 3.26Å; A296-W300 PolarHBondContact O-N 2.87Å; Y297-W300 PolarHBondContact O-N 3.36Å; Y298-W300 VanDerWaalsContact C-N 3.28Å; Y298-W300 PolarHBondContact O-N 3.31Å; W300-E302 VanDerWaalsContact C-N 3.31Å; W300-E302 PolarHBondContact O-N 2.95Å; W300-E303 PolarHBondContact O-N 3.34Å; W300-K304 HydrophobicContact CH2-CD 3.48Å; W300-K304 VanDerWaalsContact CH2-CD 3.48Å; W300-K304 HydrophobicContact CH2-CG 4.28Å; W300-K304 HydrophobicContact CZ2-CD 4.04Å; W300-K304 HydrophobicContact CZ2-CG 4.4Å; W300-K304 HydrophobicContact CZ3-CD 3.87Å; W300-K304 WeakPolarHBondContact O-CB 3.1Å; W300-K304 PolarHBondContact O-N 2.98Å; W300-N316 VanDerWaalsContact CD2-OD1 3.26Å; W300-N316 VanDerWaalsContact CE2-CG 3.45Å; W300-N316 WeakPolarHBondContact CH2-ND2 3.42Å; W300-N316 VanDerWaalsContact CZ2-CG 3.49Å; W300-N316 WeakPolarHBondContact CZ2-ND2 3.13Å; W300-N316 PolarHBondContact NE1-OD1 3.19Å; W300-P317 HydrophobicContact CB-CG 4.19Å; W300-P317 HydrophobicContact CG-CG 4.31Å; W300-A318 HydrophobicContact CB-CB 4.42Å; W300-A318 HydrophobicContact CD2-CB 3.83Å; W300-A318 HydrophobicContact CE3-CB 3.22Å; W300-A318 HydrophobicContact CG-CB 4.31Å; W300-A318 HydrophobicContact CZ3-CB 3.69Å; W300-N356 WeakPolarHBondContact CZ3-ND2 3.41Å |
| 301 | V | 83.1 | Confident | 74.1 | Confident | 5 Ų | 5 | 72.7 Ų | 72.7 | 3% | 0.03 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 178.8 | 169.8 | 0 | 0 | 0 | 0 | 111.8 | Y297 Y298 K305 N356 | Y297-V301 HydrophobicContact CD1-CG2 4.16Å; Y297-V301 HydrophobicContact CE1-CG2 3.72Å; Y297-V301 HydrophobicContact CE2-CG2 4.22Å; Y297-V301 WeakPolarHBondContact O-CG2 3.49Å; Y297-V301 PolarHBondContact O-N 3.35Å; Y298-V301 PolarHBondContact O-N 2.98Å; V301-K305 WeakPolarHBondContact O-CG 3.47Å; V301-K305 PolarHBondContact O-N 3.47Å; V301-N356 HydrophobicContact CG1-CB 4.2Å; V301-N356 HydrophobicContact CG2-CB 4.11Å |
| 302 | E | 80.8 | Confident | 72.8 | Confident | 93 Ų | 93 | 80 Ų | 80 | 44% | 0.435 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -73.7 | -35.8 | 176 | -65.1 | -55.8 | 133.5 | 0 | 0 | 112.7 | Y298 W300 K305 T306 | Y298-E302 WeakPolarHBondContact O-CG 3.37Å; Y298-E302 PolarHBondContact O-N 3.22Å; W300-E302 VanDerWaalsContact C-N 3.31Å; W300-E302 PolarHBondContact O-N 2.95Å; E302-K305 PolarHBondContact O-N 3.5Å; E302-K305 IonicContact OE1-NZ 3.89Å; E302-K305 PolarHBondContact OE1-NZ 3.07Å; E302-K305 IonicContact OE2-NZ 3.92Å; E302-K305 PolarHBondContact OE2-NZ 3.12Å; E302-T306 PolarHBondContact O-OG1 3.31Å |
| 303 | E | 77.8 | Confident | 71.4 | Confident | 123 Ų | 123 | 86.2 Ų | 86.2 | 58% | 0.575 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67.2 | -36.9 | 175 | -173 | 171.4 | -167 | 0 | 0 | 112.4 | S299 W300 K305 T306 T307 | S299-E303 WeakPolarHBondContact O-CB 3.4Å; S299-E303 PolarHBondContact O-N 3.48Å; W300-E303 PolarHBondContact O-N 3.34Å; E303-K305 VanDerWaalsContact C-N 3.31Å; E303-K305 PolarHBondContact O-N 2.99Å; E303-T306 PolarHBondContact O-N 3.01Å; E303-T306 PolarHBondContact O-OG1 3.4Å; E303-T307 PolarHBondContact O-N 3.14Å; E303-T307 VanDerWaalsContact O-N 3.08Å; E303-T307 PolarHBondContact O-OG1 3.43Å |
| 304 | K | 71.3 | Confident | 70 | Confident | 100 Ų | 100 | 93.7 Ų | 93.7 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -30.5 | 174.7 | -160.8 | -166.5 | -168.4 | 173.5 | 0 | 113 | W300 T306 Y319 N356 | W300-K304 HydrophobicContact CH2-CD 3.48Å; W300-K304 VanDerWaalsContact CH2-CD 3.48Å; W300-K304 HydrophobicContact CH2-CG 4.28Å; W300-K304 HydrophobicContact CZ2-CD 4.04Å; W300-K304 HydrophobicContact CZ2-CG 4.4Å; W300-K304 HydrophobicContact CZ3-CD 3.87Å; W300-K304 WeakPolarHBondContact O-CB 3.1Å; W300-K304 PolarHBondContact O-N 2.98Å; K304-T306 VanDerWaalsContact C-N 3.27Å; K304-T306 PolarHBondContact O-N 3.43Å; K304-Y319 PolarHBondContact NZ-OH 3.32Å; K304-N356 WeakPolarHBondContact CD-ND2 3.44Å |
| 305 | K | 64.7 | Low | 68.7 | Low | 136 Ų | 136 | 97.5 Ų | 97.5 | 59% | 0.591 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.7 | -28.2 | 175.1 | -72.4 | 173.8 | -176.1 | 168 | 0 | 112.4 | V301 E302 E303 | V301-K305 WeakPolarHBondContact O-CG 3.47Å; V301-K305 PolarHBondContact O-N 3.47Å; E302-K305 PolarHBondContact O-N 3.5Å; E302-K305 IonicContact OE1-NZ 3.89Å; E302-K305 PolarHBondContact OE1-NZ 3.07Å; E302-K305 IonicContact OE2-NZ 3.92Å; E302-K305 PolarHBondContact OE2-NZ 3.12Å; E303-K305 VanDerWaalsContact C-N 3.31Å; E303-K305 PolarHBondContact O-N 2.99Å |
| 306 | T | 61.2 | Low | 68.4 | Low | 115 Ų | 115 | 96 Ų | 96 | 71% | 0.706 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -96.9 | -18.5 | -174.3 | 51 | 0 | 0 | 0 | 0 | 113.3 | E302 E303 K304 | E302-T306 PolarHBondContact O-OG1 3.31Å; E303-T306 PolarHBondContact O-N 3.01Å; E303-T306 PolarHBondContact O-OG1 3.4Å; K304-T306 VanDerWaalsContact C-N 3.27Å; K304-T306 PolarHBondContact O-N 3.43Å |
| 307 | T | 58.5 | Low | 68.2 | Low | 82 Ų | 82 | 96 Ų | 96 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | trans | -122 | 102.3 | -171.2 | -31.7 | 0 | 0 | 0 | 0 | 111.8 | E303 G309 | E303-T307 PolarHBondContact O-N 3.14Å; E303-T307 VanDerWaalsContact O-N 3.08Å; E303-T307 PolarHBondContact O-OG1 3.43Å; T307-G309 VanDerWaalsContact C-N 3.32Å; T307-G309 PolarHBondContact O-N 3.17Å | ||
| 308 | Q | 51.2 | Low | 68 | Low | 214 Ų | 214 | 95.9 Ų | 95.9 | 100% | 1 | 51% | 0.509 | S | S | * | . | trans | -83.7 | 72.4 | 167.4 | -70.8 | -174.4 | 1.2 | 0 | 0 | 109.8 | ||||
| 309 | G | 51.7 | Low | 68 | Low | 48 Ų | 48 | 99.7 Ų | 99.7 | 50% | 0.495 | 52% | 0.524 | S | S | . | . | trans | -115.7 | 155.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | T307 | T307-G309 VanDerWaalsContact C-N 3.32Å; T307-G309 PolarHBondContact O-N 3.17Å | ||
| 310 | P | 50.2 | Low | 68.2 | Low | 123 Ų | 123 | 97.6 Ų | 97.6 | 80% | 0.799 | 51% | 0.508 | S | S | * | . | trans | -65.8 | 136.4 | 178.9 | 27.1 | -31.7 | 0 | 0 | 0 | 111.6 | M312 | P310-M312 PolarHBondContact O-N 3.22Š| ||
| 311 | D | 53.7 | Low | 68.5 | Low | 142 Ų | 142 | 96.4 Ų | 96.4 | 76% | 0.759 | 50% | 0.504 | S | S | * | . | trans | -65.3 | 94 | -174.1 | -154.2 | 14.4 | 0 | 0 | 0 | 111.1 | ||||
| 312 | M | 52.5 | Low | 68.9 | Low | 166 Ų | 166 | 96.9 Ų | 96.9 | 82% | 0.818 | 51% | 0.507 | S | S | * | . | trans | -132.1 | 57.7 | -179.2 | -79.1 | -96.2 | 78.9 | 0 | 0 | 110.7 | P310 | P310-M312 PolarHBondContact O-N 3.22Š| ||
| 313 | E | 52.6 | Low | 69.3 | Low | 146 Ų | 146 | 93.9 Ų | 93.9 | 68% | 0.682 | 50% | 0.498 | S | S | * | . | trans | -139.4 | 118.3 | 167.7 | -71.6 | -165.1 | 161.7 | 0 | 0 | 112.4 | S315 | E313-S315 PolarHBondContact O-N 3.13Å; E313-S315 VanDerWaalsContact O-N 3.08Å | ||
| 314 | Q | 55.7 | Low | 70.1 | Confident | 211 Ų | 211 | 88 Ų | 88 | 99% | 0.986 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -74.9 | 9.7 | -174 | -127.6 | 137.4 | 1.5 | 0 | 0 | 114.1 | ||
| 315 | S | 62.2 | Low | 71.1 | Confident | 91 Ų | 91 | 83.2 Ų | 83.2 | 64% | 0.636 | 45% | 0.45 | S | S | * | . | trans | -158.8 | 88.3 | 176.8 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | E313 P317 | E313-S315 PolarHBondContact O-N 3.13Å; E313-S315 VanDerWaalsContact O-N 3.08Å; S315-P317 WeakPolarHBondContact O-CD 3.27Å | ||
| 316 | N | 78.6 | Confident | 72.5 | Confident | 18 Ų | 18 | 77.4 Ų | 77.4 | 10% | 0.096 | 43% | 0.427 | C | S | . | . | trans | -81.9 | 114.8 | 174.9 | 177.6 | -4.3 | 0 | 0 | 0 | 110.9 | W300 A318 Y319 T320 | W300-N316 VanDerWaalsContact CD2-OD1 3.26Å; W300-N316 VanDerWaalsContact CE2-CG 3.45Å; W300-N316 WeakPolarHBondContact CH2-ND2 3.42Å; W300-N316 VanDerWaalsContact CZ2-CG 3.49Å; W300-N316 WeakPolarHBondContact CZ2-ND2 3.13Å; W300-N316 PolarHBondContact NE1-OD1 3.19Å; N316-A318 VanDerWaalsContact C-N 3.25Å; N316-A318 PolarHBondContact O-N 3.29Å; N316-A318 WeakPolarHBondContact OD1-CB 3.31Å; N316-A318 PolarHBondContact OD1-N 2.91Å; N316-Y319 HydrophobicContact CB-CD2 3.59Å; N316-Y319 HydrophobicContact CB-CE2 4.29Å; N316-Y319 HydrophobicContact CB-CG 4.15Å; N316-Y319 WeakPolarHBondContact ND2-CD2 3.49Å; N316-Y319 WeakPolarHBondContact ND2-CE2 3.47Å; N316-Y319 VanDerWaalsContact ND2-CG 3.34Å; N316-Y319 PolarHBondContact O-N 2.87Å; N316-T320 PolarHBondContact O-N 3.46Å; N316-T320 VanDerWaalsContact O-N 3.1Å; N316-T320 PolarHBondContact O-OG1 2.86Å | ||
| 317 | P | 82.4 | Confident | 74.1 | Confident | 45 Ų | 45 | 76 Ų | 76 | 29% | 0.292 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.8 | -31.5 | -179.4 | 26.2 | -34.6 | 0 | 0 | 0 | 112.9 | A296 W300 S315 T320 I321 | A296-P317 HydrophobicContact CB-CB 4.23Å; W300-P317 HydrophobicContact CB-CG 4.19Å; W300-P317 HydrophobicContact CG-CG 4.31Å; S315-P317 WeakPolarHBondContact O-CD 3.27Å; P317-T320 PolarHBondContact O-N 3.13Å; P317-I321 WeakPolarHBondContact O-CB 3.29Å; P317-I321 VanDerWaalsContact O-CG1 3.25Å; P317-I321 WeakPolarHBondContact O-CG1 3.21Å; P317-I321 PolarHBondContact O-N 3.22Å |
| 318 | A | 84.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.6 | -40.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y297 W300 N316 S322 | Y297-A318 HydrophobicContact CD2-CB 3.68Å; Y297-A318 HydrophobicContact CE2-CB 4Å; Y297-A318 HydrophobicContact CG-CB 4.46Å; W300-A318 HydrophobicContact CB-CB 4.42Å; W300-A318 HydrophobicContact CD2-CB 3.83Å; W300-A318 HydrophobicContact CE3-CB 3.22Å; W300-A318 HydrophobicContact CG-CB 4.31Å; W300-A318 HydrophobicContact CZ3-CB 3.69Å; N316-A318 VanDerWaalsContact C-N 3.25Å; N316-A318 PolarHBondContact O-N 3.29Å; N316-A318 WeakPolarHBondContact OD1-CB 3.31Å; N316-A318 PolarHBondContact OD1-N 2.91Å; A318-S322 WeakPolarHBondContact O-CB 3.01Å; A318-S322 PolarHBondContact O-N 3.48Å; A318-S322 PolarHBondContact O-OG 2.87Å |
| 319 | Y | 86 | Confident | 78 | Confident | 123 Ų | 123 | 61.9 Ų | 61.9 | 48% | 0.482 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.2 | -38.6 | 175.2 | -67.9 | -33.9 | 0 | 0 | 0 | 112.1 | K304 N316 A323 | K304-Y319 PolarHBondContact NZ-OH 3.32Å; N316-Y319 HydrophobicContact CB-CD2 3.59Å; N316-Y319 HydrophobicContact CB-CE2 4.29Å; N316-Y319 HydrophobicContact CB-CG 4.15Å; N316-Y319 WeakPolarHBondContact ND2-CD2 3.49Å; N316-Y319 WeakPolarHBondContact ND2-CE2 3.47Å; N316-Y319 VanDerWaalsContact ND2-CG 3.34Å; N316-Y319 PolarHBondContact O-N 2.87Å; Y319-A323 WeakPolarHBondContact O-CB 3.4Å; Y319-A323 PolarHBondContact O-N 3.28Å |
| 320 | T | 88.9 | Confident | 80 | Confident | 34 Ų | 34 | 63 Ų | 63 | 21% | 0.209 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.7 | -49.5 | 174.3 | -66.7 | 0 | 0 | 0 | 0 | 112 | W285 N316 P317 A323 A324 | W285-T320 WeakPolarHBondContact O-CG2 3.3Å; W285-T320 PolarHBondContact O-OG1 2.92Å; N316-T320 PolarHBondContact O-N 3.46Å; N316-T320 VanDerWaalsContact O-N 3.1Å; N316-T320 PolarHBondContact O-OG1 2.86Å; P317-T320 PolarHBondContact O-N 3.13Å; T320-A323 PolarHBondContact O-N 3.24Å; T320-A324 WeakPolarHBondContact O-CB 3.33Å; T320-A324 PolarHBondContact O-N 3.47Å |
| 321 | I | 90.9 | Very high | 82.2 | Confident | 9 Ų | 9 | 57.1 Ų | 57.1 | 5% | 0.046 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 179.8 | -70 | 167.3 | 0 | 0 | 0 | 110.7 | L288 Y294 A296 Y297 P317 A323 A324 L325 F362 | L288-I321 HydrophobicContact CD2-CB 4.1Å; L288-I321 HydrophobicContact CD2-CG1 4.16Å; L288-I321 HydrophobicContact CD2-CG2 3.78Å; Y294-I321 HydrophobicContact CD1-CG2 3.89Å; Y294-I321 HydrophobicContact CE1-CG2 4.47Å; Y294-I321 HydrophobicContact CG-CG2 4.45Å; A296-I321 HydrophobicContact CB-CD1 4.24Å; Y297-I321 HydrophobicContact CD2-CG2 4.39Å; P317-I321 WeakPolarHBondContact O-CB 3.29Å; P317-I321 VanDerWaalsContact O-CG1 3.25Å; P317-I321 WeakPolarHBondContact O-CG1 3.21Å; P317-I321 PolarHBondContact O-N 3.22Å; I321-A323 PolarHBondContact O-N 2.92Å; I321-A324 PolarHBondContact O-N 3.33Å; I321-L325 HydrophobicContact CG2-CD1 3.83Å; I321-L325 HydrophobicContact CG2-CG 4.46Å; I321-L325 WeakPolarHBondContact O-CB 3.45Å; I321-L325 WeakPolarHBondContact O-CG 3.28Å; I321-L325 PolarHBondContact O-N 2.93Å; I321-F362 HydrophobicContact CG2-CE2 4.31Å; I321-F362 HydrophobicContact CG2-CZ 3.79Å |
| 322 | S | 90.9 | Very high | 84.3 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 11% | 0.105 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 177.1 | -78.5 | 0 | 0 | 0 | 0 | 112.5 | Y297 A318 A324 L325 C326 F352 | Y297-S322 WeakPolarHBondContact CE2-OG 3.12Å; A318-S322 WeakPolarHBondContact O-CB 3.01Å; A318-S322 PolarHBondContact O-N 3.48Å; A318-S322 PolarHBondContact O-OG 2.87Å; S322-A324 PolarHBondContact O-N 2.91Å; S322-L325 PolarHBondContact O-N 3.3Å; S322-C326 VanDerWaalsContact O-CB 3.23Å; S322-C326 WeakPolarHBondContact O-CB 3.25Å; S322-C326 PolarHBondContact O-N 2.94Å; S322-F352 VanDerWaalsContact CB-O 3.31Å; S322-F352 WeakPolarHBondContact CB-O 3.32Å; S322-F352 PolarHBondContact OG-O 2.83Å |
| 323 | A | 90.6 | Very high | 86.3 | Confident | 30 Ų | 30 | 44.7 Ų | 44.7 | 25% | 0.248 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I286 Y319 T320 I321 L325 C326 Y327 | I286-A323 HydrophobicContact CG2-CB 4.39Å; Y319-A323 WeakPolarHBondContact O-CB 3.4Å; Y319-A323 PolarHBondContact O-N 3.28Å; T320-A323 PolarHBondContact O-N 3.24Å; I321-A323 PolarHBondContact O-N 2.92Å; A323-L325 PolarHBondContact O-N 3.49Å; A323-C326 WeakPolarHBondContact O-CB 3.44Å; A323-C326 PolarHBondContact O-N 2.76Å; A323-Y327 HydrophobicContact CB-CE2 4.47Å; A323-Y327 WeakPolarHBondContact O-CD2 3.38Å; A323-Y327 PolarHBondContact O-N 2.89Å |
| 324 | A | 92.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.2 | -40.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I281 I286 L288 T320 I321 S322 Y327 A328 | I281-A324 HydrophobicContact CG2-CB 3.81Å; I286-A324 VanDerWaalsContact CG2-CA 3.48Å; I286-A324 HydrophobicContact CG2-CB 3.56Å; L288-A324 HydrophobicContact CD1-CB 3.92Å; L288-A324 HydrophobicContact CD2-CB 3.79Å; L288-A324 HydrophobicContact CG-CB 3.55Å; T320-A324 WeakPolarHBondContact O-CB 3.33Å; T320-A324 PolarHBondContact O-N 3.47Å; I321-A324 PolarHBondContact O-N 3.33Å; S322-A324 PolarHBondContact O-N 2.91Å; A324-Y327 PolarHBondContact O-N 3.31Å; A324-A328 VanDerWaalsContact O-CB 3.31Å; A324-A328 WeakPolarHBondContact O-CB 3.17Å; A324-A328 PolarHBondContact O-N 3Å |
| 325 | L | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.9 | -35.1 | 174.3 | -69.2 | 170.7 | 0 | 0 | 0 | 112.6 | L288 I321 S322 A323 A328 T329 F352 F362 V366 L369 T392 | L288-L325 HydrophobicContact CD1-CD2 3.64Å; L288-L325 HydrophobicContact CD1-CG 3.99Å; L288-L325 HydrophobicContact CD2-CD2 4.42Å; L288-L325 HydrophobicContact CD2-CG 4.09Å; I321-L325 HydrophobicContact CG2-CD1 3.83Å; I321-L325 HydrophobicContact CG2-CG 4.46Å; I321-L325 WeakPolarHBondContact O-CB 3.45Å; I321-L325 WeakPolarHBondContact O-CG 3.28Å; I321-L325 PolarHBondContact O-N 2.93Å; S322-L325 PolarHBondContact O-N 3.3Å; A323-L325 PolarHBondContact O-N 3.49Å; L325-A328 PolarHBondContact O-N 2.77Å; L325-T329 WeakPolarHBondContact O-CB 3.37Å; L325-T329 PolarHBondContact O-N 3.17Å; L325-T329 PolarHBondContact O-OG1 2.08Å; L325-F352 HydrophobicContact CB-CB 4.25Å; L325-F352 HydrophobicContact CB-CD1 3.89Å; L325-F352 HydrophobicContact CB-CD2 3.8Å; L325-F352 HydrophobicContact CB-CE1 4.14Å; L325-F352 HydrophobicContact CB-CE2 4.04Å; L325-F352 HydrophobicContact CB-CG 3.71Å; L325-F352 HydrophobicContact CB-CZ 4.2Å; L325-F352 HydrophobicContact CD1-CD1 3.92Å; L325-F352 HydrophobicContact CD1-CE1 3.8Å; L325-F352 HydrophobicContact CD1-CZ 4.36Å; L325-F362 HydrophobicContact CD1-CE1 4.39Å; L325-F362 HydrophobicContact CD1-CE2 3.64Å; L325-F362 HydrophobicContact CD1-CZ 3.4Å; L325-V366 HydrophobicContact CD1-CG2 3.86Å; L325-V366 HydrophobicContact CD2-CG2 4.37Å; L325-L369 HydrophobicContact CD2-CD2 3.92Å; L325-T392 HydrophobicContact CD2-CG2 4.18Å |
| 326 | C | 93.3 | Very high | 92 | Very high | 14 Ų | 14 | 26.8 Ų | 26.8 | 10% | 0.095 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.7 | -46.8 | 175 | -166.4 | 0 | 0 | 0 | 0 | 110.5 | S322 A323 T329 Q330 N349 F352 C353 | S322-C326 VanDerWaalsContact O-CB 3.23Å; S322-C326 WeakPolarHBondContact O-CB 3.25Å; S322-C326 PolarHBondContact O-N 2.94Å; A323-C326 WeakPolarHBondContact O-CB 3.44Å; A323-C326 PolarHBondContact O-N 2.76Å; C326-T329 WeakPolarHBondContact O-CB 3.15Å; C326-T329 PolarHBondContact O-N 3.09Å; C326-Q330 PolarHBondContact O-N 3.05Å; C326-N349 PolarHBondContact SG-O 3.47Å; C326-F352 HydrophobicContact CB-CB 4.08Å; C326-C353 HydrophobicContact CB-CB 4.43Å; C326-C353 WeakPolarHBondContact CB-SG 3.25Å; C326-C353 WeakPolarHBondContact SG-CB 3.42Å; C326-C353 CovalentContact SG-SG 2.08Å; C326-C353 PolarHBondContact SG-SG 3.5Å |
| 327 | Y | 94.4 | Very high | 92.8 | Very high | 84 Ų | 84 | 33.5 Ų | 33.5 | 33% | 0.329 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 174.4 | -71.1 | -56.5 | 0 | 0 | 0 | 113.1 | F224 I286 A323 A324 T329 Q330 L331 | F224-Y327 AromaticContact CE1-CD1 3.99Å; F224-Y327 HydrophobicContact CE1-CD1 3.99Å; I286-Y327 HydrophobicContact CD1-CD2 4.35Å; I286-Y327 HydrophobicContact CD1-CE2 3.81Å; I286-Y327 HydrophobicContact CG2-CD2 3.97Å; I286-Y327 HydrophobicContact CG2-CE2 4.4Å; A323-Y327 HydrophobicContact CB-CE2 4.47Å; A323-Y327 WeakPolarHBondContact O-CD2 3.38Å; A323-Y327 PolarHBondContact O-N 2.89Å; A324-Y327 PolarHBondContact O-N 3.31Å; Y327-T329 VanDerWaalsContact C-N 3.32Å; Y327-T329 PolarHBondContact O-N 3.36Å; Y327-Q330 PolarHBondContact O-N 3.31Å; Y327-L331 WeakPolarHBondContact O-CB 3.5Å; Y327-L331 PolarHBondContact O-N 3.15Å |
| 328 | A | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I281 A324 L325 L331 V332 L369 L393 L396 | I281-A328 HydrophobicContact CD1-CB 4.38Å; A324-A328 VanDerWaalsContact O-CB 3.31Å; A324-A328 WeakPolarHBondContact O-CB 3.17Å; A324-A328 PolarHBondContact O-N 3Å; L325-A328 PolarHBondContact O-N 2.77Å; A328-L331 PolarHBondContact O-N 2.93Å; A328-V332 WeakPolarHBondContact O-CB 3.47Å; A328-V332 WeakPolarHBondContact O-CG2 3.49Å; A328-V332 PolarHBondContact O-N 3.11Å; A328-L369 HydrophobicContact CB-CD2 4.19Å; A328-L393 HydrophobicContact CB-CD2 3.86Å; A328-L396 HydrophobicContact CB-CD1 4.15Å |
| 329 | T | 95.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 175.1 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | L325 C326 Y327 L331 V332 N333 L347 F352 | L325-T329 WeakPolarHBondContact O-CB 3.37Å; L325-T329 PolarHBondContact O-N 3.17Å; L325-T329 PolarHBondContact O-OG1 2.08Å; C326-T329 WeakPolarHBondContact O-CB 3.15Å; C326-T329 PolarHBondContact O-N 3.09Å; Y327-T329 VanDerWaalsContact C-N 3.32Å; Y327-T329 PolarHBondContact O-N 3.36Å; T329-L331 PolarHBondContact O-N 2.86Å; T329-V332 PolarHBondContact O-N 2.99Å; T329-N333 WeakPolarHBondContact O-CB 3.49Å; T329-N333 PolarHBondContact O-N 3.34Å; T329-N333 PolarHBondContact O-ND2 2.96Å; T329-L347 HydrophobicContact CG2-CB 4.43Å; T329-L347 HydrophobicContact CG2-CD2 3.65Å; T329-L347 HydrophobicContact CG2-CG 4Å; T329-F352 WeakPolarHBondContact OG1-CE2 3.23Å |
| 330 | Q | 94.9 | Very high | 94.3 | Very high | 71 Ų | 71 | 32.6 Ų | 32.6 | 33% | 0.332 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 176.7 | -173.1 | 179.9 | 14.9 | 0 | 0 | 111.5 | F224 C326 Y327 N333 I334 N349 | F224-Q330 HydrophobicContact CE1-CB 4.48Å; F224-Q330 HydrophobicContact CZ-CB 4.4Å; F224-Q330 HydrophobicContact CZ-CG 3.99Å; C326-Q330 PolarHBondContact O-N 3.05Å; Y327-Q330 PolarHBondContact O-N 3.31Å; Q330-N333 PolarHBondContact O-N 3.04Å; Q330-I334 HydrophobicContact CG-CD1 3.96Å; Q330-I334 VanDerWaalsContact O-CG1 3.28Å; Q330-I334 WeakPolarHBondContact O-CG1 3.26Å; Q330-I334 PolarHBondContact O-N 2.98Å; Q330-N349 WeakPolarHBondContact CA-OD1 3.33Å |
| 331 | L | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.3 | -48.9 | 176.8 | 177.4 | 60.9 | 0 | 0 | 0 | 111 | L219 T220 F224 I226 I281 Y327 A328 T329 N333 I334 L335 | L219-L331 HydrophobicContact CD2-CD1 3.84Å; L219-L331 HydrophobicContact CG-CD1 4.27Å; T220-L331 HydrophobicContact CG2-CD1 4.11Å; T220-L331 HydrophobicContact CG2-CD2 4.41Å; F224-L331 HydrophobicContact CB-CD1 4.19Å; F224-L331 HydrophobicContact CB-CD2 4.12Å; F224-L331 HydrophobicContact CD1-CB 4.25Å; F224-L331 HydrophobicContact CD2-CD1 3.86Å; F224-L331 HydrophobicContact CE1-CB 4.46Å; F224-L331 HydrophobicContact CE2-CD1 4.46Å; F224-L331 HydrophobicContact CG-CB 4.26Å; F224-L331 HydrophobicContact CG-CD1 4.08Å; I226-L331 HydrophobicContact CD1-CD2 3.86Å; I281-L331 HydrophobicContact CD1-CD2 4.36Å; Y327-L331 WeakPolarHBondContact O-CB 3.5Å; Y327-L331 PolarHBondContact O-N 3.15Å; A328-L331 PolarHBondContact O-N 2.93Å; T329-L331 PolarHBondContact O-N 2.86Å; L331-N333 VanDerWaalsContact C-N 3.3Å; L331-N333 PolarHBondContact O-N 2.61Å; L331-I334 PolarHBondContact O-N 3.34Å; L331-I334 VanDerWaalsContact O-N 3.1Å; L331-L335 HydrophobicContact CD1-CD1 4.03Å; L331-L335 HydrophobicContact CD1-CD2 4.15Å; L331-L335 HydrophobicContact CD1-CG 3.83Å; L331-L335 HydrophobicContact CD2-CD1 4.43Å; L331-L335 HydrophobicContact CG-CD1 3.84Å; L331-L335 HydrophobicContact CG-CG 4.08Å; L331-L335 WeakPolarHBondContact O-CB 3.31Å; L331-L335 VanDerWaalsContact O-CG 3.25Å; L331-L335 WeakPolarHBondContact O-CG 3.47Å; L331-L335 PolarHBondContact O-N 2.79Å |
| 332 | V | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.8 | -43.4 | 178.3 | 166.9 | 0 | 0 | 0 | 0 | 112 | A328 T329 L335 S336 L343 L369 N372 I373 L376 L396 | A328-V332 WeakPolarHBondContact O-CB 3.47Å; A328-V332 WeakPolarHBondContact O-CG2 3.49Å; A328-V332 PolarHBondContact O-N 3.11Å; T329-V332 PolarHBondContact O-N 2.99Å; V332-L335 PolarHBondContact O-N 3.37Å; V332-S336 WeakPolarHBondContact O-CB 3.5Å; V332-S336 PolarHBondContact O-N 2.58Å; V332-S336 PolarHBondContact O-OG 3.03Å; V332-L343 HydrophobicContact CG1-CD1 3.73Å; V332-L343 HydrophobicContact CG1-CD2 4.43Å; V332-L369 HydrophobicContact CB-CD1 4.37Å; V332-L369 HydrophobicContact CG2-CD1 4.04Å; V332-N372 HydrophobicContact CG1-CB 3.95Å; V332-I373 HydrophobicContact CG2-CD1 4.16Å; V332-I373 HydrophobicContact CG2-CG1 3.46Å; V332-I373 VanDerWaalsContact CG2-CG1 3.46Å; V332-L376 HydrophobicContact CG1-CD1 3.98Å; V332-L396 HydrophobicContact CG2-CD1 4.19Å; V332-L396 HydrophobicContact CG2-CD2 3.82Å |
| 333 | N | 95.5 | Very high | 94.7 | Very high | 46 Ų | 46 | 39.3 Ų | 39.3 | 25% | 0.246 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.8 | -35.2 | 177.5 | -75.2 | -27.1 | 0 | 0 | 0 | 112.6 | T329 Q330 L331 S336 H337 L347 N349 | T329-N333 WeakPolarHBondContact O-CB 3.49Å; T329-N333 PolarHBondContact O-N 3.34Å; T329-N333 PolarHBondContact O-ND2 2.96Å; Q330-N333 PolarHBondContact O-N 3.04Å; L331-N333 VanDerWaalsContact C-N 3.3Å; L331-N333 PolarHBondContact O-N 2.61Å; N333-S336 PolarHBondContact O-OG 3.08Å; N333-H337 PolarHBondContact O-N 2.81Å; N333-L347 PolarHBondContact ND2-O 2.98Å; N333-N349 PolarHBondContact ND2-OD1 3.06Å |
| 334 | I | 96.4 | Very high | 94.7 | Very high | 53 Ų | 53 | 40.8 Ų | 40.8 | 27% | 0.272 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -72.5 | -43.4 | 174.5 | -65.3 | 164.4 | 0 | 0 | 0 | 110.5 | L219 F224 Q330 L331 S336 H337 I338 | L219-I334 HydrophobicContact CD2-CB 4.31Å; L219-I334 HydrophobicContact CD2-CG2 3.49Å; L219-I334 VanDerWaalsContact CD2-CG2 3.49Å; F224-I334 HydrophobicContact CE2-CD1 3.95Å; F224-I334 HydrophobicContact CZ-CD1 4.18Å; Q330-I334 HydrophobicContact CG-CD1 3.96Å; Q330-I334 VanDerWaalsContact O-CG1 3.28Å; Q330-I334 WeakPolarHBondContact O-CG1 3.26Å; Q330-I334 PolarHBondContact O-N 2.98Å; L331-I334 PolarHBondContact O-N 3.34Å; L331-I334 VanDerWaalsContact O-N 3.1Å; I334-S336 VanDerWaalsContact C-N 3.35Å; I334-S336 PolarHBondContact O-N 3.1Å; I334-H337 PolarHBondContact O-N 2.85Å; I334-I338 HydrophobicContact CG2-CD1 3.73Å; I334-I338 HydrophobicContact CG2-CG1 4.31Å; I334-I338 WeakPolarHBondContact O-CG1 3.41Å; I334-I338 PolarHBondContact O-N 3.18Å |
| 335 | L | 96.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 178.4 | -69.8 | 179.9 | 0 | 0 | 0 | 111.3 | I216 L219 L331 V332 H337 I338 L339 L376 L396 L399 V400 | I216-L335 HydrophobicContact CB-CD2 4.23Å; I216-L335 HydrophobicContact CD1-CD2 4.12Å; I216-L335 HydrophobicContact CG1-CD2 3.71Å; I216-L335 HydrophobicContact CG2-CD2 3.66Å; L219-L335 HydrophobicContact CD2-CD2 4.36Å; L331-L335 HydrophobicContact CD1-CD1 4.03Å; L331-L335 HydrophobicContact CD1-CD2 4.15Å; L331-L335 HydrophobicContact CD1-CG 3.83Å; L331-L335 HydrophobicContact CD2-CD1 4.43Å; L331-L335 HydrophobicContact CG-CD1 3.84Å; L331-L335 HydrophobicContact CG-CG 4.08Å; L331-L335 WeakPolarHBondContact O-CB 3.31Å; L331-L335 VanDerWaalsContact O-CG 3.25Å; L331-L335 WeakPolarHBondContact O-CG 3.47Å; L331-L335 PolarHBondContact O-N 2.79Å; V332-L335 PolarHBondContact O-N 3.37Å; L335-H337 VanDerWaalsContact C-N 3.29Å; L335-H337 PolarHBondContact O-N 3.01Å; L335-I338 PolarHBondContact O-N 2.81Å; L335-L339 VanDerWaalsContact O-CB 3.23Å; L335-L339 WeakPolarHBondContact O-CB 3.48Å; L335-L339 WeakPolarHBondContact O-CG 3.19Å; L335-L339 PolarHBondContact O-N 3Å; L335-L376 HydrophobicContact CB-CD1 4.08Å; L335-L396 HydrophobicContact CD1-CD2 4.26Å; L335-L399 HydrophobicContact CD1-CD2 4Å; L335-V400 HydrophobicContact CD1-CG1 3.83Å; L335-V400 HydrophobicContact CD2-CG1 4.42Å |
| 336 | S | 96 | Very high | 94.3 | Very high | 17 Ų | 17 | 51.7 Ų | 51.7 | 12% | 0.119 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 176.5 | 70.9 | 0 | 0 | 0 | 0 | 111.7 | V332 N333 I334 D340 V341 | V332-S336 WeakPolarHBondContact O-CB 3.5Å; V332-S336 PolarHBondContact O-N 2.58Å; V332-S336 PolarHBondContact O-OG 3.03Å; N333-S336 PolarHBondContact O-OG 3.08Å; I334-S336 VanDerWaalsContact C-N 3.35Å; I334-S336 PolarHBondContact O-N 3.1Å; S336-D340 WeakPolarHBondContact O-CA 3.45Å; S336-D340 PolarHBondContact O-N 3.02Å; S336-V341 WeakPolarHBondContact CB-O 3.44Å; S336-V341 PolarHBondContact O-N 3.37Å |
| 337 | H | 95.4 | Very high | 94.1 | Very high | 160 Ų | 160 | 51.5 Ų | 51.5 | 74% | 0.741 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -67.3 | -44.6 | 174.8 | -172.2 | 65.6 | 0 | 0 | 0 | 112.7 | N333 I334 L335 D340 | N333-H337 PolarHBondContact O-N 2.81Å; I334-H337 PolarHBondContact O-N 2.85Å; L335-H337 VanDerWaalsContact C-N 3.29Å; L335-H337 PolarHBondContact O-N 3.01Å; H337-D340 PolarHBondContact O-N 3.12Å |
| 338 | I | 96.3 | Very high | 93.8 | Very high | 20 Ų | 20 | 51.3 Ų | 51.3 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 178.1 | -66.5 | 168.2 | 0 | 0 | 0 | 110.9 | R212 I216 L219 I334 L335 D340 | R212-I338 HydrophobicContact CB-CG2 4.01Å; R212-I338 VanDerWaalsContact CD-O 3.26Å; R212-I338 WeakPolarHBondContact CD-O 3.26Å; R212-I338 HydrophobicContact CG-CG2 3.97Å; R212-I338 WeakPolarHBondContact CG-O 3.31Å; R212-I338 PolarHBondContact NE-O 2.94Å; I216-I338 HydrophobicContact CD1-CG2 4.03Å; I216-I338 HydrophobicContact CG1-CB 4.48Å; I216-I338 HydrophobicContact CG1-CD1 4.3Å; I216-I338 HydrophobicContact CG1-CG2 3.87Å; L219-I338 HydrophobicContact CD2-CD1 4.03Å; I334-I338 HydrophobicContact CG2-CD1 3.73Å; I334-I338 HydrophobicContact CG2-CG1 4.31Å; I334-I338 WeakPolarHBondContact O-CG1 3.41Å; I334-I338 PolarHBondContact O-N 3.18Å; L335-I338 PolarHBondContact O-N 2.81Å; I338-D340 VanDerWaalsContact C-N 3.27Å; I338-D340 PolarHBondContact O-N 2.74Å |
| 339 | L | 95.5 | Very high | 93.1 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -77.1 | -14.7 | -179.1 | -66.1 | 173.2 | 0 | 0 | 0 | 113 | R212 I216 L335 V341 L376 Q380 | R212-L339 PolarHBondContact NH1-O 3.36Å; I216-L339 HydrophobicContact CD1-CD1 4.39Å; I216-L339 HydrophobicContact CD1-CD2 3.53Å; I216-L339 HydrophobicContact CD1-CG 3.88Å; L335-L339 VanDerWaalsContact O-CB 3.23Å; L335-L339 WeakPolarHBondContact O-CB 3.48Å; L335-L339 WeakPolarHBondContact O-CG 3.19Å; L335-L339 PolarHBondContact O-N 3Å; L339-V341 HydrophobicContact CB-CG2 3.92Å; L339-L376 HydrophobicContact CD1-CD2 4.32Å; L339-Q380 HydrophobicContact CD1-CG 3.79Å; L339-Q380 HydrophobicContact CD2-CG 4.36Å |
| 340 | D | 94.8 | Very high | 92.6 | Very high | 125 Ų | 125 | 58.5 Ų | 58.5 | 67% | 0.668 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 50.9 | -174.8 | -168.6 | 33 | 0 | 0 | 0 | 111.4 | R212 S336 H337 I338 | R212-D340 IonicContact NH2-OD2 3.7Å; S336-D340 WeakPolarHBondContact O-CA 3.45Å; S336-D340 PolarHBondContact O-N 3.02Å; H337-D340 PolarHBondContact O-N 3.12Å; I338-D340 VanDerWaalsContact C-N 3.27Å; I338-D340 PolarHBondContact O-N 2.74Å |
| 341 | V | 94.3 | Very high | 92.2 | Very high | 18 Ų | 18 | 57.6 Ų | 57.6 | 11% | 0.109 | 31% | 0.306 | C | S | . | . | trans | -121.1 | 122 | -178.6 | 177.6 | 0 | 0 | 0 | 0 | 109 | S336 L339 L343 Y375 L376 | S336-V341 WeakPolarHBondContact CB-O 3.44Å; S336-V341 PolarHBondContact O-N 3.37Å; L339-V341 HydrophobicContact CB-CG2 3.92Å; V341-L343 PolarHBondContact O-N 2.63Å; V341-Y375 HydrophobicContact CG1-CD1 3.77Å; V341-Y375 HydrophobicContact CG1-CE1 3.47Å; V341-Y375 VanDerWaalsContact CG1-CE1 3.47Å; V341-L376 HydrophobicContact CB-CD2 3.92Å; V341-L376 HydrophobicContact CG1-CD2 3.89Å | ||
| 342 | N | 92.3 | Very high | 91.9 | Very high | 142 Ų | 142 | 57.8 Ų | 57.8 | 76% | 0.759 | 31% | 0.307 | S | S | * | . | trans | -75.6 | 122.4 | 175.6 | -67 | -36.4 | 0 | 0 | 0 | 110.1 | Y375 | N342-Y375 WeakPolarHBondContact O-CE1 3.11Š| ||
| 343 | L | 91.1 | Very high | 90.9 | Very high | 38 Ų | 38 | 61.8 Ų | 61.8 | 20% | 0.199 | 33% | 0.334 | C | S | . | . | trans | -75.8 | 139.4 | 179.8 | -63.8 | 178.3 | 0 | 0 | 0 | 111.3 | V332 V341 K345 N372 L376 | V332-L343 HydrophobicContact CG1-CD1 3.73Å; V332-L343 HydrophobicContact CG1-CD2 4.43Å; V341-L343 PolarHBondContact O-N 2.63Å; L343-K345 PolarHBondContact O-N 2.85Å; L343-N372 HydrophobicContact CD1-CB 4.21Å; L343-N372 HydrophobicContact CD2-CB 4.01Å; L343-N372 HydrophobicContact CG-CB 4.47Å; L343-L376 HydrophobicContact CD2-CD1 4.17Å; L343-L376 HydrophobicContact CD2-CD2 3.79Å; L343-L376 HydrophobicContact CD2-CG 3.77Å | ||
| 344 | P | 90.4 | Very high | 89.8 | Confident | 62 Ų | 62 | 62.2 Ų | 62.2 | 40% | 0.403 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -72.1 | -26.9 | -177.2 | 27.6 | -35.4 | 0 | 0 | 0 | 113.4 | N372 Y375 | P344-N372 WeakPolarHBondContact CD-OD1 3.18Å; P344-Y375 HydrophobicContact CG-CD1 4.45Å; P344-Y375 HydrophobicContact CG-CD2 3.92Å; P344-Y375 HydrophobicContact CG-CE2 4.49Å; P344-Y375 HydrophobicContact CG-CG 3.89Å |
| 345 | K | 90.9 | Very high | 88.8 | Confident | 82 Ų | 82 | 68.4 Ų | 68.4 | 36% | 0.357 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -116 | 125.4 | 179.4 | -51.6 | -60.3 | -179.2 | -174 | 0 | 109.7 | L343 L347 K368 A371 N372 | L343-K345 PolarHBondContact O-N 2.85Å; K345-L347 PolarHBondContact O-N 3.47Å; K345-K368 HydrophobicContact CB-CB 3.94Å; K345-K368 HydrophobicContact CB-CG 4.1Å; K345-K368 HydrophobicContact CG-CB 4.33Å; K345-K368 HydrophobicContact CG-CG 4.34Å; K345-A371 HydrophobicContact CG-CB 4.09Å; K345-N372 WeakPolarHBondContact CB-OD1 3.35Å; K345-N372 PolarHBondContact N-OD1 2.75Å; K345-N372 PolarHBondContact O-ND2 2.96Å; K345-N372 PolarHBondContact O-OD1 3.17Å |
| 346 | K | 88.6 | Confident | 87.8 | Confident | 147 Ų | 147 | 71 Ų | 71 | 64% | 0.639 | 39% | 0.391 | S | S | * | . | trans | -70.7 | 125 | 170.6 | -65.7 | -177.2 | -179.5 | 178 | 0 | 109.1 | E446 T447 | K346-E446 PolarHBondContact NZ-O 2.9Å; K346-T447 PolarHBondContact NZ-OG1 3.08Å | ||
| 347 | L | 88.9 | Confident | 87.3 | Confident | 10 Ų | 10 | 71.8 Ų | 71.8 | 5% | 0.052 | 39% | 0.394 | C | S | . | . | trans | -141.3 | 118.4 | 178.9 | -163.6 | 79.6 | 0 | 0 | 0 | 109.3 | T329 N333 K345 E351 F352 A365 K368 L369 | T329-L347 HydrophobicContact CG2-CB 4.43Å; T329-L347 HydrophobicContact CG2-CD2 3.65Å; T329-L347 HydrophobicContact CG2-CG 4Å; N333-L347 PolarHBondContact ND2-O 2.98Å; K345-L347 PolarHBondContact O-N 3.47Å; L347-E351 VanDerWaalsContact CD1-CD 3.43Å; L347-E351 HydrophobicContact CD1-CG 4.43Å; L347-E351 WeakPolarHBondContact CD1-OE2 3.14Å; L347-F352 HydrophobicContact CD2-CE2 4.09Å; L347-A365 HydrophobicContact CD1-CB 4.47Å; L347-K368 HydrophobicContact CD1-CB 3.95Å; L347-K368 HydrophobicContact CD1-CD 3.96Å; L347-L369 HydrophobicContact CD2-CB 3.64Å; L347-L369 HydrophobicContact CD2-CD1 3.88Å; L347-L369 HydrophobicContact CD2-CG 4.26Å | ||
| 348 | C | 86.7 | Confident | 86.8 | Confident | 79 Ų | 79 | 66.5 Ų | 66.5 | 53% | 0.534 | 38% | 0.375 | S | S | . | . | trans | -85.9 | 144.5 | -179.4 | -68.3 | 0 | 0 | 0 | 0 | 110.2 | S350 E351 | C348-S350 PolarHBondContact O-N 3.08Å; C348-S350 VanDerWaalsContact O-N 3.15Å; C348-E351 VanDerWaalsContact O-CB 3.27Å; C348-E351 WeakPolarHBondContact O-CB 3.4Å; C348-E351 PolarHBondContact O-N 3.07Å | ||
| 349 | N | 82.4 | Confident | 86.3 | Confident | 66 Ų | 66 | 71.6 Ų | 71.6 | 35% | 0.353 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -58.6 | -31 | 177.2 | -59.5 | -22.3 | 0 | 0 | 0 | 111.9 | C326 Q330 N333 E351 | C326-N349 PolarHBondContact SG-O 3.47Å; Q330-N349 WeakPolarHBondContact CA-OD1 3.33Å; N333-N349 PolarHBondContact ND2-OD1 3.06Å; N349-E351 PolarHBondContact O-N 2.73Å |
| 350 | S | 84.8 | Confident | 85.8 | Confident | 86 Ų | 86 | 76.7 Ų | 76.7 | 60% | 0.601 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -70.6 | -13.2 | 178.9 | 51.9 | 0 | 0 | 0 | 0 | 114.6 | C348 F352 C353 G354 | C348-S350 PolarHBondContact O-N 3.08Å; C348-S350 VanDerWaalsContact O-N 3.15Å; S350-F352 VanDerWaalsContact C-N 3.27Å; S350-F352 PolarHBondContact O-N 3.38Å; S350-C353 PolarHBondContact O-N 3.41Å; S350-C353 VanDerWaalsContact O-N 3.13Å; S350-G354 PolarHBondContact O-N 3.33Å |
| 351 | E | 87 | Confident | 85.5 | Confident | 53 Ų | 53 | 76.3 Ų | 76.3 | 25% | 0.248 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -61.8 | -33.9 | -172.8 | -166.2 | 159.9 | 169.9 | 0 | 0 | 112.4 | L347 C348 N349 L357 A365 K368 | L347-E351 VanDerWaalsContact CD1-CD 3.43Å; L347-E351 HydrophobicContact CD1-CG 4.43Å; L347-E351 WeakPolarHBondContact CD1-OE2 3.14Å; C348-E351 VanDerWaalsContact O-CB 3.27Å; C348-E351 WeakPolarHBondContact O-CB 3.4Å; C348-E351 PolarHBondContact O-N 3.07Å; N349-E351 PolarHBondContact O-N 2.73Å; E351-L357 WeakPolarHBondContact O-CD1 3.46Å; E351-A365 HydrophobicContact CG-CB 4.07Å; E351-A365 WeakPolarHBondContact OE1-CB 3.05Å; E351-K368 IonicContact OE1-NZ 3.43Å |
| 352 | F | 88.2 | Confident | 85.3 | Confident | 4 Ų | 4 | 75.4 Ų | 75.4 | 2% | 0.018 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -11.7 | 175.8 | -62.2 | -71.1 | 0 | 0 | 0 | 114.4 | S322 L325 C326 T329 L347 S350 L357 F362 A365 V366 L369 | S322-F352 VanDerWaalsContact CB-O 3.31Å; S322-F352 WeakPolarHBondContact CB-O 3.32Å; S322-F352 PolarHBondContact OG-O 2.83Å; L325-F352 HydrophobicContact CB-CB 4.25Å; L325-F352 HydrophobicContact CB-CD1 3.89Å; L325-F352 HydrophobicContact CB-CD2 3.8Å; L325-F352 HydrophobicContact CB-CE1 4.14Å; L325-F352 HydrophobicContact CB-CE2 4.04Å; L325-F352 HydrophobicContact CB-CG 3.71Å; L325-F352 HydrophobicContact CB-CZ 4.2Å; L325-F352 HydrophobicContact CD1-CD1 3.92Å; L325-F352 HydrophobicContact CD1-CE1 3.8Å; L325-F352 HydrophobicContact CD1-CZ 4.36Å; C326-F352 HydrophobicContact CB-CB 4.08Å; T329-F352 WeakPolarHBondContact OG1-CE2 3.23Å; L347-F352 HydrophobicContact CD2-CE2 4.09Å; S350-F352 VanDerWaalsContact C-N 3.27Å; S350-F352 PolarHBondContact O-N 3.38Å; F352-L357 HydrophobicContact CD1-CD1 4.41Å; F352-F362 HydrophobicContact CD1-CD2 4.46Å; F352-F362 HydrophobicContact CD1-CE2 4.31Å; F352-F362 HydrophobicContact CE1-CD2 4.44Å; F352-F362 HydrophobicContact CE1-CE2 4.38Å; F352-A365 HydrophobicContact CE1-CB 3.69Å; F352-A365 HydrophobicContact CZ-CB 3.62Å; F352-V366 HydrophobicContact CE1-CG2 3.97Å; F352-V366 HydrophobicContact CZ-CG2 4.17Å; F352-L369 HydrophobicContact CE2-CD2 4.2Å |
| 353 | C | 77.4 | Confident | 85.1 | Confident | 84 Ų | 84 | 70.1 Ų | 70.1 | 57% | 0.568 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 2.7 | -172.8 | -88.8 | 0 | 0 | 0 | 0 | 113 | C326 S350 | C326-C353 HydrophobicContact CB-CB 4.43Å; C326-C353 WeakPolarHBondContact CB-SG 3.25Å; C326-C353 WeakPolarHBondContact SG-CB 3.42Å; C326-C353 CovalentContact SG-SG 2.08Å; C326-C353 PolarHBondContact SG-SG 3.5Å; S350-C353 PolarHBondContact O-N 3.41Å; S350-C353 VanDerWaalsContact O-N 3.13Å |
| 354 | G | 72.3 | Confident | 85 | Confident | 55 Ų | 55 | 76 Ų | 76 | 57% | 0.567 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -93 | -154.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S350 | S350-G354 PolarHBondContact O-N 3.33Š|
| 355 | E | 73.9 | Confident | 85 | Confident | 183 Ų | 183 | 73.1 Ų | 73.1 | 86% | 0.855 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -62.8 | 157.3 | 174 | -67.9 | -172.5 | 175.4 | 0 | 0 | 112.2 | L357 | E355-L357 PolarHBondContact O-N 3Š|
| 356 | N | 77.4 | Confident | 85 | Confident | 55 Ų | 55 | 69.7 Ų | 69.7 | 29% | 0.294 | 37% | 0.366 | S | S | . | . | trans | -53.5 | 110.9 | -179.3 | -71.4 | -16.7 | 0 | 0 | 0 | 111.2 | W300 V301 K304 | W300-N356 WeakPolarHBondContact CZ3-ND2 3.41Å; V301-N356 HydrophobicContact CG1-CB 4.2Å; V301-N356 HydrophobicContact CG2-CB 4.11Å; K304-N356 WeakPolarHBondContact CD-ND2 3.44Å | ||
| 357 | L | 84.1 | Confident | 85.1 | Confident | 34 Ų | 34 | 64.9 Ų | 64.9 | 18% | 0.178 | 35% | 0.345 | C | S | . | . | trans | -67 | 143 | 177.6 | -62.5 | 178.6 | 0 | 0 | 0 | 111.4 | Y297 E351 F352 E355 K361 F362 | Y297-L357 PolarHBondContact OH-N 2.94Å; Y297-L357 PolarHBondContact OH-O 3.45Å; E351-L357 WeakPolarHBondContact O-CD1 3.46Å; F352-L357 HydrophobicContact CD1-CD1 4.41Å; E355-L357 PolarHBondContact O-N 3Å; L357-K361 HydrophobicContact CB-CB 4.4Å; L357-K361 HydrophobicContact CD2-CB 4.46Å; L357-F362 HydrophobicContact CB-CB 3.96Å; L357-F362 HydrophobicContact CD1-CB 4.26Å; L357-F362 HydrophobicContact CD1-CD2 4.21Å | ||
| 358 | S | 85.7 | Confident | 85.2 | Confident | 49 Ų | 49 | 67.5 Ų | 67.5 | 34% | 0.343 | 36% | 0.356 | S | S | . | . | trans | -62.3 | 153.8 | 167 | 73.9 | 0 | 0 | 0 | 0 | 110.8 | Q360 K361 F362 | S358-Q360 PolarHBondContact O-N 3.47Å; S358-Q360 VanDerWaalsContact O-N 3.14Å; S358-K361 PolarHBondContact O-N 3.49Å; S358-K361 VanDerWaalsContact O-N 3.09Å; S358-K361 WeakPolarHBondContact OG-CG 3.19Å; S358-K361 PolarHBondContact OG-N 3.46Å; S358-F362 WeakPolarHBondContact O-CB 3.4Å; S358-F362 PolarHBondContact O-N 2.87Å | ||
| 359 | K | 85.5 | Confident | 85.6 | Confident | 127 Ų | 127 | 63.8 Ų | 63.8 | 55% | 0.552 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -49.2 | -43.1 | 179.4 | -179.3 | 175.1 | -177.8 | -177.2 | 0 | 112.9 | Y298 T363 | Y298-K359 HydrophobicContact CD1-CB 3.88Å; Y298-K359 HydrophobicContact CD1-CD 4.4Å; Y298-K359 HydrophobicContact CD1-CG 3.71Å; Y298-K359 HydrophobicContact CD2-CG 4.47Å; Y298-K359 HydrophobicContact CE1-CB 4.1Å; Y298-K359 HydrophobicContact CE1-CG 3.71Å; Y298-K359 HydrophobicContact CE2-CG 4.5Å; Y298-K359 HydrophobicContact CG-CD 4.35Å; Y298-K359 HydrophobicContact CG-CG 4.13Å; K359-T363 VanDerWaalsContact O-CB 3.31Å; K359-T363 WeakPolarHBondContact O-CB 3.39Å; K359-T363 PolarHBondContact O-N 2.95Å; K359-T363 PolarHBondContact O-OG1 3.23Å |
| 360 | Q | 85.3 | Confident | 86.1 | Confident | 112 Ų | 112 | 60.7 Ų | 60.7 | 52% | 0.523 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.9 | -47.5 | 179 | -69.2 | 177.1 | -8.5 | 0 | 0 | 112.5 | S358 T363 R364 | S358-Q360 PolarHBondContact O-N 3.47Å; S358-Q360 VanDerWaalsContact O-N 3.14Å; Q360-T363 PolarHBondContact O-N 3.46Å; Q360-R364 WeakPolarHBondContact O-CB 3.33Å; Q360-R364 PolarHBondContact O-N 2.89Å |
| 361 | K | 87.9 | Confident | 86.5 | Confident | 116 Ų | 116 | 57.5 Ų | 57.5 | 50% | 0.504 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 178.5 | -73.6 | -176.6 | 178.8 | -177.4 | 0 | 110.9 | L357 S358 R364 A365 | L357-K361 HydrophobicContact CB-CB 4.4Å; L357-K361 HydrophobicContact CD2-CB 4.46Å; S358-K361 PolarHBondContact O-N 3.49Å; S358-K361 VanDerWaalsContact O-N 3.09Å; S358-K361 WeakPolarHBondContact OG-CG 3.19Å; S358-K361 PolarHBondContact OG-N 3.46Å; K361-R364 PolarHBondContact O-N 2.88Å; K361-A365 WeakPolarHBondContact O-CB 2.93Å; K361-A365 PolarHBondContact O-N 3.2Å |
| 362 | F | 89.9 | Confident | 86.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.5 | -50 | 176.5 | -177 | -86.8 | 0 | 0 | 0 | 111.9 | Y294 Y297 Y298 I321 L325 F352 L357 S358 R364 A365 V366 | Y294-F362 AromaticContact CD2-CE1 3.89Å; Y294-F362 HydrophobicContact CD2-CE1 3.89Å; Y294-F362 HydrophobicContact CD2-CZ 4.4Å; Y294-F362 AromaticContact CG-CE1 3.9Å; Y294-F362 HydrophobicContact CG-CE1 3.9Å; Y294-F362 HydrophobicContact CG-CZ 4.16Å; Y297-F362 HydrophobicContact CD1-CD1 4.27Å; Y297-F362 AromaticContact CD1-CD2 3.86Å; Y297-F362 HydrophobicContact CD1-CD2 3.86Å; Y297-F362 HydrophobicContact CD1-CE1 4.33Å; Y297-F362 AromaticContact CD1-CE2 3.94Å; Y297-F362 HydrophobicContact CD1-CE2 3.94Å; Y297-F362 HydrophobicContact CD1-CG 4.02Å; Y297-F362 HydrophobicContact CD1-CZ 4.16Å; Y297-F362 HydrophobicContact CD2-CD2 4.29Å; Y297-F362 AromaticContact CD2-CE2 3.78Å; Y297-F362 HydrophobicContact CD2-CE2 3.78Å; Y297-F362 HydrophobicContact CD2-CZ 4.25Å; Y297-F362 HydrophobicContact CE1-CB 4.11Å; Y297-F362 HydrophobicContact CE1-CD1 4.44Å; Y297-F362 AromaticContact CE1-CD2 3.47Å; Y297-F362 HydrophobicContact CE1-CD2 3.47Å; Y297-F362 VanDerWaalsContact CE1-CD2 3.47Å; Y297-F362 AromaticContact CE1-CE2 3.93Å; Y297-F362 HydrophobicContact CE1-CE2 3.93Å; Y297-F362 AromaticContact CE1-CG 3.75Å; Y297-F362 HydrophobicContact CE1-CG 3.75Å; Y297-F362 AromaticContact CE2-CD2 3.95Å; Y297-F362 HydrophobicContact CE2-CD2 3.95Å; Y297-F362 AromaticContact CE2-CE2 3.78Å; Y297-F362 HydrophobicContact CE2-CE2 3.78Å; Y297-F362 HydrophobicContact CG-CD2 4.28Å; Y297-F362 AromaticContact CG-CE2 3.89Å; Y297-F362 HydrophobicContact CG-CE2 3.89Å; Y297-F362 HydrophobicContact CG-CZ 4.02Å; Y297-F362 AromaticContact CZ-CD2 3.53Å; Y297-F362 AromaticContact CZ-CE2 3.87Å; Y298-F362 HydrophobicContact CE1-CB 4.22Å; Y298-F362 AromaticContact CE1-CD1 3.52Å; Y298-F362 HydrophobicContact CE1-CD1 3.52Å; Y298-F362 HydrophobicContact CE1-CE1 4.14Å; Y298-F362 HydrophobicContact CE1-CG 4.09Å; Y298-F362 AromaticContact CZ-CD1 3.72Å; Y298-F362 VanDerWaalsContact OH-CD1 3.25Å; Y298-F362 WeakPolarHBondContact OH-CD1 3.35Å; I321-F362 HydrophobicContact CG2-CE2 4.31Å; I321-F362 HydrophobicContact CG2-CZ 3.79Å; L325-F362 HydrophobicContact CD1-CE1 4.39Å; L325-F362 HydrophobicContact CD1-CE2 3.64Å; L325-F362 HydrophobicContact CD1-CZ 3.4Å; F352-F362 HydrophobicContact CD1-CD2 4.46Å; F352-F362 HydrophobicContact CD1-CE2 4.31Å; F352-F362 HydrophobicContact CE1-CD2 4.44Å; F352-F362 HydrophobicContact CE1-CE2 4.38Å; L357-F362 HydrophobicContact CB-CB 3.96Å; L357-F362 HydrophobicContact CD1-CB 4.26Å; L357-F362 HydrophobicContact CD1-CD2 4.21Å; S358-F362 WeakPolarHBondContact O-CB 3.4Å; S358-F362 PolarHBondContact O-N 2.87Å; F362-R364 VanDerWaalsContact C-N 3.29Å; F362-R364 PolarHBondContact O-N 3.4Å; F362-A365 PolarHBondContact O-N 2.98Å; F362-V366 HydrophobicContact CD1-CG2 4Å; F362-V366 HydrophobicContact CE1-CG2 3.65Å; F362-V366 HydrophobicContact CZ-CG2 3.97Å; F362-V366 WeakPolarHBondContact O-CG2 3.39Å; F362-V366 PolarHBondContact O-N 3.44Å |
| 363 | T | 88.3 | Confident | 87.2 | Confident | 30 Ų | 30 | 54.8 Ų | 54.8 | 18% | 0.184 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 179 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | Y298 K359 Q360 K367 | Y298-T363 PolarHBondContact OH-OG1 2.91Å; Y298-T363 VanDerWaalsContact OH-OG1 3.11Å; K359-T363 VanDerWaalsContact O-CB 3.31Å; K359-T363 WeakPolarHBondContact O-CB 3.39Å; K359-T363 PolarHBondContact O-N 2.95Å; K359-T363 PolarHBondContact O-OG1 3.23Å; Q360-T363 PolarHBondContact O-N 3.46Å; T363-K367 HydrophobicContact CG2-CD 4.29Å; T363-K367 WeakPolarHBondContact O-CB 3.43Å; T363-K367 WeakPolarHBondContact O-CG 3.48Å; T363-K367 PolarHBondContact O-N 3.04Å |
| 364 | R | 88.9 | Confident | 87.9 | Confident | 163 Ų | 163 | 51 Ų | 51 | 62% | 0.615 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.8 | -43.6 | 177.2 | -173.3 | -179.1 | -68.9 | 158.7 | -0.9 | 112 | Q360 K361 F362 K367 K368 | Q360-R364 WeakPolarHBondContact O-CB 3.33Å; Q360-R364 PolarHBondContact O-N 2.89Å; K361-R364 PolarHBondContact O-N 2.88Å; F362-R364 VanDerWaalsContact C-N 3.29Å; F362-R364 PolarHBondContact O-N 3.4Å; R364-K367 PolarHBondContact O-N 3.28Å; R364-K368 WeakPolarHBondContact O-CG 3.35Å; R364-K368 PolarHBondContact O-N 3.5Å |
| 365 | A | 91.1 | Very high | 89 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L347 E351 F352 K361 F362 K367 K368 L369 | L347-A365 HydrophobicContact CD1-CB 4.47Å; E351-A365 HydrophobicContact CG-CB 4.07Å; E351-A365 WeakPolarHBondContact OE1-CB 3.05Å; F352-A365 HydrophobicContact CE1-CB 3.69Å; F352-A365 HydrophobicContact CZ-CB 3.62Å; K361-A365 WeakPolarHBondContact O-CB 2.93Å; K361-A365 PolarHBondContact O-N 3.2Å; F362-A365 PolarHBondContact O-N 2.98Å; A365-K367 PolarHBondContact O-N 2.99Å; A365-K368 WeakPolarHBondContact O-CB 3.44Å; A365-K368 PolarHBondContact O-N 3.13Å; A365-L369 PolarHBondContact O-N 3.26Å |
| 366 | V | 91.9 | Very high | 90 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 7% | 0.067 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 175.3 | 169.4 | 0 | 0 | 0 | 0 | 111.7 | Y294 L325 F352 F362 K368 L369 N370 | Y294-V366 HydrophobicContact CD2-CG1 4.15Å; Y294-V366 HydrophobicContact CD2-CG2 4.28Å; Y294-V366 HydrophobicContact CE2-CG1 3.57Å; Y294-V366 HydrophobicContact CE2-CG2 4.19Å; L325-V366 HydrophobicContact CD1-CG2 3.86Å; L325-V366 HydrophobicContact CD2-CG2 4.37Å; F352-V366 HydrophobicContact CE1-CG2 3.97Å; F352-V366 HydrophobicContact CZ-CG2 4.17Å; F362-V366 HydrophobicContact CD1-CG2 4Å; F362-V366 HydrophobicContact CE1-CG2 3.65Å; F362-V366 HydrophobicContact CZ-CG2 3.97Å; F362-V366 WeakPolarHBondContact O-CG2 3.39Å; F362-V366 PolarHBondContact O-N 3.44Å; V366-K368 VanDerWaalsContact C-N 3.34Å; V366-K368 PolarHBondContact O-N 3.48Å; V366-L369 WeakPolarHBondContact O-CB 3.07Å; V366-L369 PolarHBondContact O-N 2.95Å; V366-N370 PolarHBondContact O-N 3.19Å |
| 367 | K | 89.8 | Confident | 90.8 | Very high | 45 Ų | 45 | 40 Ų | 40 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.8 | -42.8 | 176 | -76.8 | 176 | 177.7 | 179.3 | 0 | 111.8 | T363 R364 A365 N370 A371 M423 V426 | T363-K367 HydrophobicContact CG2-CD 4.29Å; T363-K367 WeakPolarHBondContact O-CB 3.43Å; T363-K367 WeakPolarHBondContact O-CG 3.48Å; T363-K367 PolarHBondContact O-N 3.04Å; R364-K367 PolarHBondContact O-N 3.28Å; A365-K367 PolarHBondContact O-N 2.99Å; K367-N370 PolarHBondContact O-N 2.98Å; K367-A371 WeakPolarHBondContact O-CB 3.08Å; K367-A371 PolarHBondContact O-N 3.39Å; K367-M423 HydrophobicContact CB-CG 4.12Å; K367-M423 HydrophobicContact CG-CG 4.36Å; K367-V426 PolarHBondContact NZ-O 3.38Å |
| 368 | K | 92 | Very high | 91.2 | Very high | 66 Ų | 66 | 38.9 Ų | 38.9 | 29% | 0.287 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 174.4 | -71.8 | 175.3 | -177.1 | 177.7 | 0 | 111.6 | K345 L347 E351 R364 A365 V366 A371 N372 | K345-K368 HydrophobicContact CB-CB 3.94Å; K345-K368 HydrophobicContact CB-CG 4.1Å; K345-K368 HydrophobicContact CG-CB 4.33Å; K345-K368 HydrophobicContact CG-CG 4.34Å; L347-K368 HydrophobicContact CD1-CB 3.95Å; L347-K368 HydrophobicContact CD1-CD 3.96Å; E351-K368 IonicContact OE1-NZ 3.43Å; R364-K368 WeakPolarHBondContact O-CG 3.35Å; R364-K368 PolarHBondContact O-N 3.5Å; A365-K368 WeakPolarHBondContact O-CB 3.44Å; A365-K368 PolarHBondContact O-N 3.13Å; V366-K368 VanDerWaalsContact C-N 3.34Å; V366-K368 PolarHBondContact O-N 3.48Å; K368-A371 PolarHBondContact O-N 2.96Å; K368-N372 PolarHBondContact O-N 3.31Å; K368-N372 VanDerWaalsContact O-N 3.09Å |
| 369 | L | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.2 | -49.8 | 177.6 | 179.2 | 57.1 | 0 | 0 | 0 | 111.3 | L325 A328 V332 L347 F352 A365 V366 A371 N372 I373 T392 | L325-L369 HydrophobicContact CD2-CD2 3.92Å; A328-L369 HydrophobicContact CB-CD2 4.19Å; V332-L369 HydrophobicContact CB-CD1 4.37Å; V332-L369 HydrophobicContact CG2-CD1 4.04Å; L347-L369 HydrophobicContact CD2-CB 3.64Å; L347-L369 HydrophobicContact CD2-CD1 3.88Å; L347-L369 HydrophobicContact CD2-CG 4.26Å; F352-L369 HydrophobicContact CE2-CD2 4.2Å; A365-L369 PolarHBondContact O-N 3.26Å; V366-L369 WeakPolarHBondContact O-CB 3.07Å; V366-L369 PolarHBondContact O-N 2.95Å; L369-A371 VanDerWaalsContact C-N 3.29Å; L369-A371 PolarHBondContact O-N 3.3Å; L369-N372 WeakPolarHBondContact O-CB 3.24Å; L369-N372 PolarHBondContact O-N 3.05Å; L369-N372 VanDerWaalsContact O-N 3.17Å; L369-I373 HydrophobicContact CD1-CD1 4.06Å; L369-I373 HydrophobicContact CD1-CG1 4.34Å; L369-I373 HydrophobicContact CG-CD1 3.86Å; L369-I373 WeakPolarHBondContact O-CG1 3.42Å; L369-I373 PolarHBondContact O-N 3Å; L369-T392 HydrophobicContact CD2-CG2 3.9Å; L369-T392 HydrophobicContact CG-CG2 4.34Å |
| 370 | N | 92.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.011 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.1 | -36.9 | 179.1 | -73.3 | -3.9 | 0 | 0 | 0 | 112 | V366 K367 I373 L374 P389 T392 M423 | V366-N370 PolarHBondContact O-N 3.19Å; K367-N370 PolarHBondContact O-N 2.98Å; N370-I373 PolarHBondContact O-N 2.75Å; N370-L374 WeakPolarHBondContact O-CG 3.39Å; N370-L374 PolarHBondContact O-N 3.3Å; N370-P389 WeakPolarHBondContact CB-O 2.94Å; N370-P389 PolarHBondContact ND2-O 3.48Å; N370-T392 PolarHBondContact ND2-OG1 2.79Å; N370-T392 WeakPolarHBondContact OD1-CB 3.31Å; N370-T392 WeakPolarHBondContact OD1-CG2 3.36Å; N370-T392 PolarHBondContact OD1-OG1 2.82Å; N370-M423 VanDerWaalsContact C-CE 3.49Å; N370-M423 HydrophobicContact CB-CE 3.98Å; N370-M423 HydrophobicContact CB-SD 3.63Å |
| 371 | A | 92.4 | Very high | 92.5 | Very high | 18 Ų | 18 | 29.6 Ų | 29.6 | 15% | 0.149 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61 | -45.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K345 K367 K368 L369 L374 Y375 M423 | K345-A371 HydrophobicContact CG-CB 4.09Å; K367-A371 WeakPolarHBondContact O-CB 3.08Å; K367-A371 PolarHBondContact O-N 3.39Å; K368-A371 PolarHBondContact O-N 2.96Å; L369-A371 VanDerWaalsContact C-N 3.29Å; L369-A371 PolarHBondContact O-N 3.3Å; A371-L374 PolarHBondContact O-N 3.15Å; A371-Y375 VanDerWaalsContact O-CB 3.31Å; A371-Y375 WeakPolarHBondContact O-CB 3.39Å; A371-Y375 PolarHBondContact O-N 3.3Å; A371-M423 HydrophobicContact CB-CE 3.73Å |
| 372 | N | 94.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.8 | -41.1 | 175.9 | -71.4 | -13.9 | 0 | 0 | 0 | 112.2 | V332 L343 P344 K345 K368 L369 Y375 L376 | V332-N372 HydrophobicContact CG1-CB 3.95Å; L343-N372 HydrophobicContact CD1-CB 4.21Å; L343-N372 HydrophobicContact CD2-CB 4.01Å; L343-N372 HydrophobicContact CG-CB 4.47Å; P344-N372 WeakPolarHBondContact CD-OD1 3.18Å; K345-N372 WeakPolarHBondContact CB-OD1 3.35Å; K345-N372 PolarHBondContact N-OD1 2.75Å; K345-N372 PolarHBondContact O-ND2 2.96Å; K345-N372 PolarHBondContact O-OD1 3.17Å; K368-N372 PolarHBondContact O-N 3.31Å; K368-N372 VanDerWaalsContact O-N 3.09Å; L369-N372 WeakPolarHBondContact O-CB 3.24Å; L369-N372 PolarHBondContact O-N 3.05Å; L369-N372 VanDerWaalsContact O-N 3.17Å; N372-Y375 WeakPolarHBondContact O-CB 3.47Å; N372-Y375 PolarHBondContact O-N 3.24Å; N372-L376 WeakPolarHBondContact O-CG 3.29Å; N372-L376 PolarHBondContact O-N 3.49Å |
| 373 | I | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.7 | -50.6 | 177.2 | -68.4 | 165.5 | 0 | 0 | 0 | 110.6 | V332 L369 N370 Y375 L376 C377 T392 N395 L396 | V332-I373 HydrophobicContact CG2-CD1 4.16Å; V332-I373 HydrophobicContact CG2-CG1 3.46Å; V332-I373 VanDerWaalsContact CG2-CG1 3.46Å; L369-I373 HydrophobicContact CD1-CD1 4.06Å; L369-I373 HydrophobicContact CD1-CG1 4.34Å; L369-I373 HydrophobicContact CG-CD1 3.86Å; L369-I373 WeakPolarHBondContact O-CG1 3.42Å; L369-I373 PolarHBondContact O-N 3Å; N370-I373 PolarHBondContact O-N 2.75Å; I373-Y375 VanDerWaalsContact C-N 3.28Å; I373-Y375 PolarHBondContact O-N 3.18Å; I373-L376 PolarHBondContact O-N 3.2Å; I373-C377 PolarHBondContact O-N 3.1Å; I373-C377 PolarHBondContact O-SG 3.26Å; I373-T392 HydrophobicContact CD1-CG2 3.66Å; I373-N395 HydrophobicContact CG2-CB 3.6Å; I373-L396 HydrophobicContact CD1-CD1 3.84Å; I373-L396 HydrophobicContact CD1-CD2 4.48Å; I373-L396 HydrophobicContact CD1-CG 3.9Å; I373-L396 HydrophobicContact CG1-CD1 4.24Å; I373-L396 HydrophobicContact CG1-CD2 4.01Å; I373-L396 HydrophobicContact CG1-CG 3.95Å; I373-L396 HydrophobicContact CG2-CD2 4.07Å; I373-L396 HydrophobicContact CG2-CG 3.91Å |
| 374 | L | 93.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60 | -40.6 | 177.4 | -70.8 | 179.3 | 0 | 0 | 0 | 111.7 | N370 A371 L376 C377 F378 L387 P389 M423 | N370-L374 WeakPolarHBondContact O-CG 3.39Å; N370-L374 PolarHBondContact O-N 3.3Å; A371-L374 PolarHBondContact O-N 3.15Å; L374-L376 VanDerWaalsContact C-N 3.32Å; L374-L376 PolarHBondContact O-N 3.32Å; L374-C377 CarbonylContact O-C 3.53Å; L374-C377 WeakPolarHBondContact O-CA 3.33Å; L374-C377 WeakPolarHBondContact O-CB 3.14Å; L374-C377 PolarHBondContact O-N 3.47Å; L374-C377 VanDerWaalsContact O-N 3.09Å; L374-F378 HydrophobicContact CB-CE2 3.98Å; L374-F378 HydrophobicContact CB-CZ 4.07Å; L374-F378 WeakPolarHBondContact O-CD2 3.3Å; L374-F378 WeakPolarHBondContact O-CG 3.41Å; L374-F378 PolarHBondContact O-N 3.18Å; L374-L387 HydrophobicContact CD2-CB 4.1Å; L374-L387 HydrophobicContact CD2-CD1 4.34Å; L374-L387 HydrophobicContact CD2-CD2 4.49Å; L374-P389 HydrophobicContact CD1-CB 4.3Å; L374-M423 HydrophobicContact CD1-CE 3.54Å; L374-M423 HydrophobicContact CG-CE 4.42Å |
| 375 | Y | 93.6 | Very high | 92.5 | Very high | 62 Ų | 62 | 29.1 Ų | 29.1 | 24% | 0.243 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 176.9 | -167.8 | -95.8 | 0 | 0 | 0 | 112 | V341 N342 P344 A371 N372 I373 F378 S379 F413 V415 | V341-Y375 HydrophobicContact CG1-CD1 3.77Å; V341-Y375 HydrophobicContact CG1-CE1 3.47Å; V341-Y375 VanDerWaalsContact CG1-CE1 3.47Å; N342-Y375 WeakPolarHBondContact O-CE1 3.11Å; P344-Y375 HydrophobicContact CG-CD1 4.45Å; P344-Y375 HydrophobicContact CG-CD2 3.92Å; P344-Y375 HydrophobicContact CG-CE2 4.49Å; P344-Y375 HydrophobicContact CG-CG 3.89Å; A371-Y375 VanDerWaalsContact O-CB 3.31Å; A371-Y375 WeakPolarHBondContact O-CB 3.39Å; A371-Y375 PolarHBondContact O-N 3.3Å; N372-Y375 WeakPolarHBondContact O-CB 3.47Å; N372-Y375 PolarHBondContact O-N 3.24Å; I373-Y375 VanDerWaalsContact C-N 3.28Å; I373-Y375 PolarHBondContact O-N 3.18Å; Y375-F378 PolarHBondContact O-N 2.89Å; Y375-S379 PolarHBondContact O-N 2.95Å; Y375-F413 HydrophobicContact CD1-CZ 4.44Å; Y375-F413 HydrophobicContact CD2-CE2 4.47Å; Y375-F413 HydrophobicContact CE1-CE2 4.25Å; Y375-F413 AromaticContact CE1-CZ 3.71Å; Y375-F413 HydrophobicContact CE1-CZ 3.71Å; Y375-F413 HydrophobicContact CE2-CE2 4.01Å; Y375-F413 HydrophobicContact CE2-CZ 4.14Å; Y375-F413 AromaticContact CZ-CE2 3.9Å; Y375-F413 AromaticContact CZ-CZ 3.53Å; Y375-V415 HydrophobicContact CD2-CG2 3.92Å; Y375-V415 HydrophobicContact CE2-CG2 3.71Å |
| 376 | L | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 172.2 | -68.4 | -179.2 | 0 | 0 | 0 | 111.7 | V332 L335 L339 V341 L343 N372 I373 L374 F378 S379 Q380 L399 | V332-L376 HydrophobicContact CG1-CD1 3.98Å; L335-L376 HydrophobicContact CB-CD1 4.08Å; L339-L376 HydrophobicContact CD1-CD2 4.32Å; V341-L376 HydrophobicContact CB-CD2 3.92Å; V341-L376 HydrophobicContact CG1-CD2 3.89Å; L343-L376 HydrophobicContact CD2-CD1 4.17Å; L343-L376 HydrophobicContact CD2-CD2 3.79Å; L343-L376 HydrophobicContact CD2-CG 3.77Å; N372-L376 WeakPolarHBondContact O-CG 3.29Å; N372-L376 PolarHBondContact O-N 3.49Å; I373-L376 PolarHBondContact O-N 3.2Å; L374-L376 VanDerWaalsContact C-N 3.32Å; L374-L376 PolarHBondContact O-N 3.32Å; L376-F378 VanDerWaalsContact C-N 3.32Å; L376-F378 PolarHBondContact O-N 2.98Å; L376-S379 PolarHBondContact O-N 3.16Å; L376-S379 VanDerWaalsContact O-N 3.16Å; L376-S379 PolarHBondContact O-OG 3.46Å; L376-Q380 WeakPolarHBondContact O-CG 3.25Å; L376-Q380 PolarHBondContact O-N 3.01Å; L376-Q380 VanDerWaalsContact O-N 3.09Å; L376-L399 HydrophobicContact CB-CD2 3.76Å; L376-L399 HydrophobicContact CD1-CD2 4.31Å |
| 377 | C | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.8 | -43.2 | 174.6 | -66.7 | 0 | 0 | 0 | 0 | 112.6 | I373 L374 Q380 H381 V382 L387 | I373-C377 PolarHBondContact O-N 3.1Å; I373-C377 PolarHBondContact O-SG 3.26Å; L374-C377 CarbonylContact O-C 3.53Å; L374-C377 WeakPolarHBondContact O-CA 3.33Å; L374-C377 WeakPolarHBondContact O-CB 3.14Å; L374-C377 PolarHBondContact O-N 3.47Å; L374-C377 VanDerWaalsContact O-N 3.09Å; C377-Q380 CarbonylContact O-C 3.56Å; C377-Q380 PolarHBondContact O-N 3.31Å; C377-H381 PolarHBondContact O-N 2.96Å; C377-H381 VanDerWaalsContact O-N 3.15Å; C377-V382 HydrophobicContact CB-CB 3.97Å; C377-V382 HydrophobicContact CB-CG2 3.95Å; C377-V382 WeakPolarHBondContact O-CG2 3.38Å; C377-V382 PolarHBondContact O-N 3.32Å; C377-L387 HydrophobicContact CB-CD1 3.72Å; C377-L387 HydrophobicContact CB-CD2 3.91Å; C377-L387 HydrophobicContact CB-CG 4.5Å |
| 378 | F | 93.6 | Very high | 92 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 5% | 0.053 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 175.7 | -57.3 | -36.5 | 0 | 0 | 0 | 111.7 | L374 Y375 L376 Q380 H381 L384 L387 F413 V415 L419 | L374-F378 HydrophobicContact CB-CE2 3.98Å; L374-F378 HydrophobicContact CB-CZ 4.07Å; L374-F378 WeakPolarHBondContact O-CD2 3.3Å; L374-F378 WeakPolarHBondContact O-CG 3.41Å; L374-F378 PolarHBondContact O-N 3.18Å; Y375-F378 PolarHBondContact O-N 2.89Å; L376-F378 VanDerWaalsContact C-N 3.32Å; L376-F378 PolarHBondContact O-N 2.98Å; F378-Q380 PolarHBondContact O-N 3.27Å; F378-H381 PolarHBondContact O-N 3.42Å; F378-H381 VanDerWaalsContact O-N 3.14Å; F378-L384 HydrophobicContact CD1-CD2 3.63Å; F378-L384 HydrophobicContact CE1-CD2 3.57Å; F378-L387 HydrophobicContact CD1-CD1 4.27Å; F378-L387 HydrophobicContact CE1-CD1 3.92Å; F378-F413 HydrophobicContact CB-CD2 4.04Å; F378-F413 HydrophobicContact CB-CE2 4.4Å; F378-V415 HydrophobicContact CD2-CB 4.28Å; F378-V415 HydrophobicContact CD2-CG1 3.84Å; F378-V415 HydrophobicContact CD2-CG2 4.21Å; F378-V415 HydrophobicContact CE2-CG1 3.88Å; F378-L419 HydrophobicContact CE1-CD1 3.99Å; F378-L419 HydrophobicContact CZ-CB 3.95Å; F378-L419 HydrophobicContact CZ-CD1 3.97Å |
| 379 | S | 94.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.1 | -33.9 | 178.2 | 80.3 | 0 | 0 | 0 | 0 | 112.9 | Y375 L376 | Y375-S379 PolarHBondContact O-N 2.95Å; L376-S379 PolarHBondContact O-N 3.16Å; L376-S379 VanDerWaalsContact O-N 3.16Å; L376-S379 PolarHBondContact O-OG 3.46Å |
| 380 | Q | 94.5 | Very high | 91.4 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.028 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 12.1 | -178.6 | -55.3 | -48.6 | -66.5 | 0 | 0 | 113.6 | L339 L376 C377 F378 V382 L399 H406 L407 | L339-Q380 HydrophobicContact CD1-CG 3.79Å; L339-Q380 HydrophobicContact CD2-CG 4.36Å; L376-Q380 WeakPolarHBondContact O-CG 3.25Å; L376-Q380 PolarHBondContact O-N 3.01Å; L376-Q380 VanDerWaalsContact O-N 3.09Å; C377-Q380 CarbonylContact O-C 3.56Å; C377-Q380 PolarHBondContact O-N 3.31Å; F378-Q380 PolarHBondContact O-N 3.27Å; Q380-V382 VanDerWaalsContact C-N 3.27Å; Q380-V382 PolarHBondContact O-N 2.9Å; Q380-L399 HydrophobicContact CB-CD1 3.69Å; Q380-L399 HydrophobicContact CG-CD1 3.53Å; Q380-H406 WeakPolarHBondContact O-CB 3.48Å; Q380-H406 PolarHBondContact OE1-O 3.42Å; Q380-L407 HydrophobicContact CG-CD1 4.37Å |
| 381 | H | 93.4 | Very high | 91.2 | Very high | 84 Ų | 84 | 35 Ų | 35 | 39% | 0.389 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 41.7 | 178 | -70.7 | -94.8 | 0 | 0 | 0 | 113.7 | C377 F378 H406 R409 | C377-H381 PolarHBondContact O-N 2.96Å; C377-H381 VanDerWaalsContact O-N 3.15Å; F378-H381 PolarHBondContact O-N 3.42Å; F378-H381 VanDerWaalsContact O-N 3.14Å; H381-H406 HydrophobicContact CB-CB 4.07Å; H381-R409 VanDerWaalsContact CD2-CZ 3.47Å; H381-R409 PolarHBondContact CD2-NH1 3.45Å; H381-R409 VanDerWaalsContact CD2-NH1 3.28Å; H381-R409 PolarHBondContact NE2-NH1 3.22Å; H381-R409 PolarHBondContact NE2-NH2 3.42Å |
| 382 | V | 93.3 | Very high | 91.2 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 9% | 0.085 | 17% | 0.171 | C | C | . | . | trans | -65 | 142.2 | 170.5 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | C377 Q380 L384 L387 L399 | C377-V382 HydrophobicContact CB-CB 3.97Å; C377-V382 HydrophobicContact CB-CG2 3.95Å; C377-V382 WeakPolarHBondContact O-CG2 3.38Å; C377-V382 PolarHBondContact O-N 3.32Å; Q380-V382 VanDerWaalsContact C-N 3.27Å; Q380-V382 PolarHBondContact O-N 2.9Å; V382-L384 PolarHBondContact O-N 2.88Å; V382-L384 VanDerWaalsContact O-N 3.13Å; V382-L387 HydrophobicContact CG1-CD2 3.84Å; V382-L387 HydrophobicContact CG1-CG 4.27Å; V382-L399 HydrophobicContact CG2-CB 4.39Å; V382-L399 HydrophobicContact CG2-CD1 4.16Å | ||
| 383 | N | 89.4 | Confident | 91.2 | Very high | 81 Ų | 81 | 34.4 Ų | 34.4 | 43% | 0.433 | 17% | 0.172 | S | C | . | . | trans | -59.1 | 118.9 | -179.3 | -175.3 | -4.9 | 0 | 0 | 0 | 110.8 | D385 Q386 | N383-D385 VanDerWaalsContact C-N 3.25Å; N383-D385 PolarHBondContact O-N 3.01Å; N383-D385 PolarHBondContact OD1-N 3.37Å; N383-D385 VanDerWaalsContact OD1-N 3.12Å; N383-Q386 HydrophobicContact CB-CG 4.19Å; N383-Q386 WeakPolarHBondContact O-CB 2.9Å; N383-Q386 PolarHBondContact O-N 3.48Å; N383-Q386 VanDerWaalsContact O-N 3.13Å | ||
| 384 | L | 87.3 | Confident | 91 | Very high | 62 Ų | 62 | 35.2 Ų | 35.2 | 33% | 0.325 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -62.6 | -31.1 | -175.5 | -58.8 | 179.6 | 0 | 0 | 0 | 112.8 | F378 V382 Q386 L387 R416 | F378-L384 HydrophobicContact CD1-CD2 3.63Å; F378-L384 HydrophobicContact CE1-CD2 3.57Å; V382-L384 PolarHBondContact O-N 2.88Å; V382-L384 VanDerWaalsContact O-N 3.13Å; L384-Q386 PolarHBondContact O-N 2.97Å; L384-L387 HydrophobicContact CD2-CD1 4.13Å; L384-L387 PolarHBondContact O-N 3.08Å; L384-R416 HydrophobicContact CD1-CG 3.95Å |
| 385 | D | 86.8 | Confident | 91 | Very high | 142 Ų | 142 | 35.1 Ų | 35.1 | 76% | 0.759 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | -67 | -20.1 | -179.8 | -62 | -30.4 | 0 | 0 | 0 | 112.4 | N383 | N383-D385 VanDerWaalsContact C-N 3.25Å; N383-D385 PolarHBondContact O-N 3.01Å; N383-D385 PolarHBondContact OD1-N 3.37Å; N383-D385 VanDerWaalsContact OD1-N 3.12Å |
| 386 | Q | 86.3 | Confident | 91.1 | Very high | 85 Ų | 85 | 32.1 Ų | 32.1 | 40% | 0.397 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -90.2 | -18.3 | 179.2 | -61.6 | 178.1 | -8.3 | 0 | 0 | 112.6 | N383 L384 Y398 | N383-Q386 HydrophobicContact CB-CG 4.19Å; N383-Q386 WeakPolarHBondContact O-CB 2.9Å; N383-Q386 PolarHBondContact O-N 3.48Å; N383-Q386 VanDerWaalsContact O-N 3.13Å; L384-Q386 PolarHBondContact O-N 2.97Å; Q386-Y398 HydrophobicContact CB-CD2 4.05Å; Q386-Y398 HydrophobicContact CB-CE1 4.49Å; Q386-Y398 HydrophobicContact CB-CE2 3.82Å; Q386-Y398 HydrophobicContact CB-CG 4.46Å; Q386-Y398 WeakPolarHBondContact O-CE2 3.43Å |
| 387 | L | 88.5 | Confident | 91 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | trans | -83.1 | 131.3 | -173.1 | -64.2 | 177.6 | 0 | 0 | 0 | 110.9 | L374 C377 F378 V382 L384 N395 | L374-L387 HydrophobicContact CD2-CB 4.1Å; L374-L387 HydrophobicContact CD2-CD1 4.34Å; L374-L387 HydrophobicContact CD2-CD2 4.49Å; C377-L387 HydrophobicContact CB-CD1 3.72Å; C377-L387 HydrophobicContact CB-CD2 3.91Å; C377-L387 HydrophobicContact CB-CG 4.5Å; F378-L387 HydrophobicContact CD1-CD1 4.27Å; F378-L387 HydrophobicContact CE1-CD1 3.92Å; V382-L387 HydrophobicContact CG1-CD2 3.84Å; V382-L387 HydrophobicContact CG1-CG 4.27Å; L384-L387 HydrophobicContact CD2-CD1 4.13Å; L384-L387 PolarHBondContact O-N 3.08Å; L387-N395 HydrophobicContact CD2-CB 4.21Å | ||
| 388 | Q | 86.1 | Confident | 91 | Very high | 78 Ų | 78 | 36.4 Ų | 36.4 | 36% | 0.364 | 18% | 0.181 | S | C | . | . | trans | -126.5 | 123.6 | 176.4 | -71.6 | -61.7 | -34.8 | 0 | 0 | 109.8 | L390 H391 N395 | Q388-L390 PolarHBondContact O-N 3.18Å; Q388-H391 HydrophobicContact CB-CB 4.05Å; Q388-H391 PolarHBondContact O-N 3.23Å; Q388-N395 PolarHBondContact N-OD1 2.87Å; Q388-N395 PolarHBondContact O-ND2 3.08Å | ||
| 389 | P | 86.6 | Confident | 91 | Very high | 16 Ų | 16 | 35.9 Ų | 35.9 | 10% | 0.104 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -26.5 | -171.7 | -27.1 | 32.3 | 0 | 0 | 0 | 116.3 | N370 L374 L419 S422 | N370-P389 WeakPolarHBondContact CB-O 2.94Å; N370-P389 PolarHBondContact ND2-O 3.48Å; L374-P389 HydrophobicContact CD1-CB 4.3Å; P389-L419 HydrophobicContact CG-CD2 3.78Å; P389-S422 WeakPolarHBondContact CG-OG 3.33Å |
| 390 | L | 86.6 | Confident | 91.1 | Very high | 56 Ų | 56 | 36.1 Ų | 36.1 | 29% | 0.293 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -15.8 | -179.1 | -59.8 | 178.7 | 0 | 0 | 0 | 113.3 | L264 V269 Q388 T392 | L264-L390 HydrophobicContact CB-CD1 4.33Å; L264-L390 HydrophobicContact CD1-CD1 4.2Å; V269-L390 HydrophobicContact CG2-CD1 4.37Å; Q388-L390 PolarHBondContact O-N 3.18Å; L390-T392 PolarHBondContact O-N 3.29Å; L390-T392 VanDerWaalsContact O-N 3.08Å |
| 391 | H | 88.9 | Confident | 90.9 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.046 | 19% | 0.189 | C | C | . | . | trans | -86.3 | 83.5 | -173.3 | -60.8 | -171.8 | 0 | 0 | 0 | 111.7 | N290 Q388 R394 N395 | N290-H391 PolarHBondContact O-CD2 2.83Å; N290-H391 VanDerWaalsContact O-CG 3.22Å; Q388-H391 HydrophobicContact CB-CB 4.05Å; Q388-H391 PolarHBondContact O-N 3.23Å; H391-R394 HydrophobicContact CB-CB 3.7Å; H391-R394 HydrophobicContact CB-CG 4.44Å; H391-N395 WeakPolarHBondContact O-CB 3.23Å; H391-N395 PolarHBondContact O-N 3.04Å; H391-N395 VanDerWaalsContact O-N 3.13Å; H391-N395 PolarHBondContact O-ND2 3.09Å; H391-N395 VanDerWaalsContact O-ND2 3.12Å | ||
| 392 | T | 93 | Very high | 90.7 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.6 | -66.9 | -174 | -53.7 | 0 | 0 | 0 | 0 | 113.3 | L288 Y294 L325 L369 N370 I373 L390 L396 | L288-T392 HydrophobicContact CD1-CG2 4.49Å; Y294-T392 WeakPolarHBondContact OH-CB 3.38Å; Y294-T392 PolarHBondContact OH-OG1 2.77Å; L325-T392 HydrophobicContact CD2-CG2 4.18Å; L369-T392 HydrophobicContact CD2-CG2 3.9Å; L369-T392 HydrophobicContact CG-CG2 4.34Å; N370-T392 PolarHBondContact ND2-OG1 2.79Å; N370-T392 WeakPolarHBondContact OD1-CB 3.31Å; N370-T392 WeakPolarHBondContact OD1-CG2 3.36Å; N370-T392 PolarHBondContact OD1-OG1 2.82Å; I373-T392 HydrophobicContact CD1-CG2 3.66Å; L390-T392 PolarHBondContact O-N 3.29Å; L390-T392 VanDerWaalsContact O-N 3.08Å; T392-L396 PolarHBondContact O-N 3.1Å |
| 393 | L | 93.6 | Very high | 90.4 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -74.6 | -27 | -176.4 | -65.3 | -179 | 0 | 0 | 0 | 113.2 | I279 I281 L288 A328 L396 M397 | I279-L393 HydrophobicContact CB-CB 3.93Å; I279-L393 HydrophobicContact CB-CD1 4.12Å; I279-L393 HydrophobicContact CD1-CB 4.33Å; I279-L393 HydrophobicContact CG2-CB 3.61Å; I279-L393 HydrophobicContact CG2-CD1 3.97Å; I279-L393 HydrophobicContact CG2-CG 4.44Å; I279-L393 VanDerWaalsContact O-CD1 3.25Å; I279-L393 WeakPolarHBondContact O-CD1 3.45Å; I281-L393 HydrophobicContact CB-CD1 4.19Å; I281-L393 HydrophobicContact CB-CD2 4.25Å; I281-L393 HydrophobicContact CD1-CD2 4.11Å; I281-L393 HydrophobicContact CG2-CD1 4.14Å; I281-L393 HydrophobicContact CG2-CD2 4.36Å; L288-L393 HydrophobicContact CB-CD1 3.86Å; L288-L393 HydrophobicContact CB-CG 4.3Å; L288-L393 HydrophobicContact CD1-CD1 3.87Å; L288-L393 HydrophobicContact CD1-CD2 4.32Å; L288-L393 HydrophobicContact CD1-CG 3.78Å; L288-L393 HydrophobicContact CG-CD1 3.99Å; L288-L393 HydrophobicContact CG-CG 4.4Å; A328-L393 HydrophobicContact CB-CD2 3.86Å; L393-L396 HydrophobicContact CD2-CD1 4.14Å; L393-L396 WeakPolarHBondContact O-CB 3.14Å; L393-L396 PolarHBondContact O-N 2.98Å; L393-M397 PolarHBondContact O-N 2.88Å |
| 394 | R | 92.4 | Very high | 90.3 | Very high | 17 Ų | 17 | 39.6 Ų | 39.6 | 6% | 0.064 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.8 | -45.8 | 178.6 | -171 | 64.9 | -179.4 | -151.5 | 3.5 | 111.7 | E228 H273 I279 N290 H391 L396 M397 Y398 | E228-R394 IonicContact OE1-CZ 3.48Å; E228-R394 IonicContact OE1-NH1 3.84Å; E228-R394 PolarHBondContact OE1-NH1 3.28Å; E228-R394 IonicContact OE1-NH2 2.76Å; H273-R394 PolarHBondContact CE1-NH2 3.01Å; H273-R394 VanDerWaalsContact CE1-NH2 3.34Å; H273-R394 PolarHBondContact NE2-NH2 3.06Å; I279-R394 HydrophobicContact CD1-CB 3.68Å; I279-R394 HydrophobicContact CD1-CG 4.33Å; N290-R394 WeakPolarHBondContact OD1-CB 3.33Å; H391-R394 HydrophobicContact CB-CB 3.7Å; H391-R394 HydrophobicContact CB-CG 4.44Å; R394-L396 VanDerWaalsContact C-N 3.27Å; R394-L396 PolarHBondContact O-N 3.33Å; R394-M397 WeakPolarHBondContact O-CB 3.29Å; R394-M397 PolarHBondContact O-N 2.99Å; R394-M397 VanDerWaalsContact O-N 3.14Å; R394-Y398 HydrophobicContact CG-CD2 4.25Å; R394-Y398 HydrophobicContact CG-CE2 3.65Å; R394-Y398 VanDerWaalsContact NE-CZ 3.31Å; R394-Y398 PolarHBondContact NE-OH 3.19Å; R394-Y398 PolarHBondContact NH2-OH 3.45Å; R394-Y398 VanDerWaalsContact NH2-OH 3.11Å; R394-Y398 WeakPolarHBondContact O-CD2 3.31Å; R394-Y398 PolarHBondContact O-N 2.97Å |
| 395 | N | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -38.6 | 176.8 | -69.2 | -20 | 0 | 0 | 0 | 111 | I373 L387 Q388 H391 Y398 L399 | I373-N395 HydrophobicContact CG2-CB 3.6Å; L387-N395 HydrophobicContact CD2-CB 4.21Å; Q388-N395 PolarHBondContact N-OD1 2.87Å; Q388-N395 PolarHBondContact O-ND2 3.08Å; H391-N395 WeakPolarHBondContact O-CB 3.23Å; H391-N395 PolarHBondContact O-N 3.04Å; H391-N395 VanDerWaalsContact O-N 3.13Å; H391-N395 PolarHBondContact O-ND2 3.09Å; H391-N395 VanDerWaalsContact O-ND2 3.12Å; N395-Y398 PolarHBondContact O-N 3.27Å; N395-L399 PolarHBondContact O-N 3.02Å |
| 396 | L | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 172.2 | -79 | 173.4 | 0 | 0 | 0 | 112 | I226 A328 V332 L335 I373 T392 L393 R394 Y398 L399 V400 | I226-L396 HydrophobicContact CD1-CB 4.12Å; A328-L396 HydrophobicContact CB-CD1 4.15Å; V332-L396 HydrophobicContact CG2-CD1 4.19Å; V332-L396 HydrophobicContact CG2-CD2 3.82Å; L335-L396 HydrophobicContact CD1-CD2 4.26Å; I373-L396 HydrophobicContact CD1-CD1 3.84Å; I373-L396 HydrophobicContact CD1-CD2 4.48Å; I373-L396 HydrophobicContact CD1-CG 3.9Å; I373-L396 HydrophobicContact CG1-CD1 4.24Å; I373-L396 HydrophobicContact CG1-CD2 4.01Å; I373-L396 HydrophobicContact CG1-CG 3.95Å; I373-L396 HydrophobicContact CG2-CD2 4.07Å; I373-L396 HydrophobicContact CG2-CG 3.91Å; T392-L396 PolarHBondContact O-N 3.1Å; L393-L396 HydrophobicContact CD2-CD1 4.14Å; L393-L396 WeakPolarHBondContact O-CB 3.14Å; L393-L396 PolarHBondContact O-N 2.98Å; R394-L396 VanDerWaalsContact C-N 3.27Å; R394-L396 PolarHBondContact O-N 3.33Å; L396-Y398 VanDerWaalsContact C-N 3.3Å; L396-Y398 PolarHBondContact O-N 3.11Å; L396-L399 HydrophobicContact CD2-CD2 4.12Å; L396-L399 WeakPolarHBondContact O-CB 3.32Å; L396-L399 PolarHBondContact O-N 3.14Å; L396-L399 VanDerWaalsContact O-N 3.16Å; L396-V400 WeakPolarHBondContact O-CG2 3.28Å; L396-V400 PolarHBondContact O-N 2.72Å |
| 397 | M | 93.4 | Very high | 90.8 | Very high | 40 Ų | 40 | 38 Ų | 38 | 20% | 0.197 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.1 | -38.8 | 176.8 | -166 | 172 | 67.1 | 0 | 0 | 112 | I226 E228 L393 R394 S401 | I226-M397 HydrophobicContact CG2-CB 4.2Å; I226-M397 HydrophobicContact CG2-CG 4.4Å; I226-M397 HydrophobicContact CG2-SD 4.5Å; E228-M397 HydrophobicContact CG-CE 4.12Å; E228-M397 HydrophobicContact CG-SD 4.42Å; L393-M397 PolarHBondContact O-N 2.88Å; R394-M397 WeakPolarHBondContact O-CB 3.29Å; R394-M397 PolarHBondContact O-N 2.99Å; R394-M397 VanDerWaalsContact O-N 3.14Å; M397-S401 WeakPolarHBondContact O-CB 3.29Å; M397-S401 PolarHBondContact O-N 3.32Å; M397-S401 VanDerWaalsContact O-N 3.08Å |
| 398 | Y | 93.7 | Very high | 91 | Very high | 49 Ų | 49 | 37.9 Ų | 37.9 | 19% | 0.192 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.9 | -41.7 | 172.9 | -65.9 | -46.9 | 0 | 0 | 0 | 112.7 | Q386 R394 N395 L396 S401 | Q386-Y398 HydrophobicContact CB-CD2 4.05Å; Q386-Y398 HydrophobicContact CB-CE1 4.49Å; Q386-Y398 HydrophobicContact CB-CE2 3.82Å; Q386-Y398 HydrophobicContact CB-CG 4.46Å; Q386-Y398 WeakPolarHBondContact O-CE2 3.43Å; R394-Y398 HydrophobicContact CG-CD2 4.25Å; R394-Y398 HydrophobicContact CG-CE2 3.65Å; R394-Y398 VanDerWaalsContact NE-CZ 3.31Å; R394-Y398 PolarHBondContact NE-OH 3.19Å; R394-Y398 PolarHBondContact NH2-OH 3.45Å; R394-Y398 VanDerWaalsContact NH2-OH 3.11Å; R394-Y398 WeakPolarHBondContact O-CD2 3.31Å; R394-Y398 PolarHBondContact O-N 2.97Å; N395-Y398 PolarHBondContact O-N 3.27Å; L396-Y398 VanDerWaalsContact C-N 3.3Å; L396-Y398 PolarHBondContact O-N 3.11Å; Y398-S401 PolarHBondContact O-N 3.39Å |
| 399 | L | 95 | Very high | 91.4 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.4 | -47.5 | 176.2 | 173.3 | 64 | 0 | 0 | 0 | 112.1 | L335 L376 Q380 V382 N395 L396 S401 | L335-L399 HydrophobicContact CD1-CD2 4Å; L376-L399 HydrophobicContact CB-CD2 3.76Å; L376-L399 HydrophobicContact CD1-CD2 4.31Å; Q380-L399 HydrophobicContact CB-CD1 3.69Å; Q380-L399 HydrophobicContact CG-CD1 3.53Å; V382-L399 HydrophobicContact CG2-CB 4.39Å; V382-L399 HydrophobicContact CG2-CD1 4.16Å; N395-L399 PolarHBondContact O-N 3.02Å; L396-L399 HydrophobicContact CD2-CD2 4.12Å; L396-L399 WeakPolarHBondContact O-CB 3.32Å; L396-L399 PolarHBondContact O-N 3.14Å; L396-L399 VanDerWaalsContact O-N 3.16Å; L399-S401 VanDerWaalsContact C-N 3.35Å |
| 400 | V | 94.8 | Very high | 91.5 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 10.1 | -173.8 | -56 | 0 | 0 | 0 | 0 | 113.3 | I216 L217 T220 I226 L335 L396 | I216-V400 HydrophobicContact CG2-CB 4.25Å; I216-V400 HydrophobicContact CG2-CG1 3.91Å; L217-V400 WeakPolarHBondContact CD2-O 3.41Å; T220-V400 HydrophobicContact CG2-CB 3.9Å; T220-V400 HydrophobicContact CG2-CG1 3.87Å; T220-V400 HydrophobicContact CG2-CG2 3.93Å; I226-V400 HydrophobicContact CD1-CG2 4.25Å; L335-V400 HydrophobicContact CD1-CG1 3.83Å; L335-V400 HydrophobicContact CD2-CG1 4.42Å; L396-V400 WeakPolarHBondContact O-CG2 3.28Å; L396-V400 PolarHBondContact O-N 2.72Å |
| 401 | S | 91.6 | Very high | 91.5 | Very high | 31 Ų | 31 | 37.8 Ų | 37.8 | 22% | 0.217 | 21% | 0.214 | C | C | . | . | trans | -59.8 | 132.9 | -178.3 | 177.2 | 0 | 0 | 0 | 0 | 111 | M397 Y398 L399 S403 S404 | M397-S401 WeakPolarHBondContact O-CB 3.29Å; M397-S401 PolarHBondContact O-N 3.32Å; M397-S401 VanDerWaalsContact O-N 3.08Å; Y398-S401 PolarHBondContact O-N 3.39Å; L399-S401 VanDerWaalsContact C-N 3.35Å; S401-S403 PolarHBondContact O-N 3.09Å; S401-S403 PolarHBondContact OG-N 3.28Å; S401-S403 PolarHBondContact OG-OG 2.64Å; S401-S404 WeakPolarHBondContact O-CB 3.46Å; S401-S404 PolarHBondContact O-N 2.98Å; S401-S404 PolarHBondContact O-OG 2.81Å | ||
| 402 | P | 88.8 | Confident | 91.6 | Very high | 98 Ų | 98 | 42.9 Ų | 42.9 | 64% | 0.636 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -22.8 | 173.7 | -23.3 | 32.5 | 0 | 0 | 0 | 113.6 | R213 L217 | R213-P402 PolarHBondContact NH2-O 3.46Å; L217-P402 HydrophobicContact CD2-CB 4.32Å; L217-P402 HydrophobicContact CD2-CG 4.13Å |
| 403 | S | 86.9 | Confident | 91.5 | Very high | 106 Ų | 106 | 45.5 Ų | 45.5 | 74% | 0.741 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -7.1 | 179.3 | 69.6 | 0 | 0 | 0 | 0 | 114.3 | S401 E405 | S401-S403 PolarHBondContact O-N 3.09Å; S401-S403 PolarHBondContact OG-N 3.28Å; S401-S403 PolarHBondContact OG-OG 2.64Å; S403-E405 PolarHBondContact O-N 2.96Å |
| 404 | S | 86.7 | Confident | 91.2 | Very high | 24 Ų | 24 | 53.7 Ų | 53.7 | 17% | 0.168 | 30% | 0.298 | C | S | . | . | trans | -72.1 | 116.8 | -177.5 | 59.1 | 0 | 0 | 0 | 0 | 110.7 | R213 S401 H406 L407 | R213-S404 PolarHBondContact NH1-O 3.47Å; R213-S404 PolarHBondContact NH2-O 2.84Å; S401-S404 WeakPolarHBondContact O-CB 3.46Å; S401-S404 PolarHBondContact O-N 2.98Å; S401-S404 PolarHBondContact O-OG 2.81Å; S404-H406 VanDerWaalsContact C-N 3.31Å; S404-H406 PolarHBondContact O-N 3.35Å; S404-L407 VanDerWaalsContact OG-CB 3.27Å; S404-L407 WeakPolarHBondContact OG-CB 3.44Å | ||
| 405 | E | 85.6 | Confident | 90.8 | Very high | 164 Ų | 164 | 55.5 Ų | 55.5 | 77% | 0.766 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -31.4 | -177.2 | -170.2 | 176.2 | 165.8 | 0 | 0 | 112.5 | R213 S403 | R213-E405 PolarHBondContact NH1-O 3.27Å; S403-E405 PolarHBondContact O-N 2.96Å |
| 406 | H | 91.9 | Very high | 90 | Very high | 86 Ų | 86 | 60.8 Ų | 60.8 | 40% | 0.398 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 3 | -168.8 | -59.1 | -45 | 0 | 0 | 0 | 115.2 | Q380 H381 S404 G408 R409 | Q380-H406 WeakPolarHBondContact O-CB 3.48Å; Q380-H406 PolarHBondContact OE1-O 3.42Å; H381-H406 HydrophobicContact CB-CB 4.07Å; S404-H406 VanDerWaalsContact C-N 3.31Å; S404-H406 PolarHBondContact O-N 3.35Å; H406-G408 PolarHBondContact O-N 2.8Å; H406-R409 WeakPolarHBondContact O-CB 3.4Å; H406-R409 PolarHBondContact O-N 3.34Å; H406-R409 VanDerWaalsContact O-N 3.08Å |
| 407 | L | 94.1 | Very high | 88.9 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 3% | 0.026 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 128.3 | 178 | 179.8 | 63.3 | 0 | 0 | 0 | 111.7 | R213 I216 L217 Q380 S404 | R213-L407 HydrophobicContact CG-CB 4.29Å; R213-L407 HydrophobicContact CG-CD2 4.01Å; R213-L407 HydrophobicContact CG-CG 4.17Å; I216-L407 HydrophobicContact CB-CD2 4.39Å; I216-L407 HydrophobicContact CD1-CD1 3.81Å; I216-L407 HydrophobicContact CD1-CG 4.32Å; I216-L407 HydrophobicContact CG2-CD1 4.33Å; I216-L407 HydrophobicContact CG2-CD2 3.96Å; L217-L407 HydrophobicContact CD2-CD2 4.36Å; Q380-L407 HydrophobicContact CG-CD1 4.37Å; S404-L407 VanDerWaalsContact OG-CB 3.27Å; S404-L407 WeakPolarHBondContact OG-CB 3.44Å |
| 408 | G | 93.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -4.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | A209 H406 | A209-G408 VanDerWaalsContact CA-O 3.23Å; A209-G408 WeakPolarHBondContact CA-O 3.43Å; A209-G408 VanDerWaalsContact CB-O 3.31Å; A209-G408 WeakPolarHBondContact CB-O 3.23Å; H406-G408 PolarHBondContact O-N 2.8Å |
| 409 | R | 93.4 | Very high | 86.4 | Confident | 69 Ų | 69 | 64.3 Ų | 64.3 | 26% | 0.26 | 36% | 0.363 | S | S | . | . | trans | -56.3 | 141.6 | -178.1 | 173.7 | -177.1 | 171.9 | -82.5 | 0 | 111.8 | H381 H406 G411 P412 | H381-R409 VanDerWaalsContact CD2-CZ 3.47Å; H381-R409 PolarHBondContact CD2-NH1 3.45Å; H381-R409 VanDerWaalsContact CD2-NH1 3.28Å; H381-R409 PolarHBondContact NE2-NH1 3.22Å; H381-R409 PolarHBondContact NE2-NH2 3.42Å; H406-R409 WeakPolarHBondContact O-CB 3.4Å; H406-R409 PolarHBondContact O-N 3.34Å; H406-R409 VanDerWaalsContact O-N 3.08Å; R409-G411 PolarHBondContact NH1-O 3.01Å; R409-P412 PolarHBondContact NH1-O 2.86Å; R409-P412 VanDerWaalsContact NH1-O 3.1Å; R409-P412 PolarHBondContact NH2-O 3.33Å | ||
| 410 | S | 89.5 | Confident | 84.9 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 26% | 0.259 | 38% | 0.383 | S | S | . | . | trans | -108.7 | 141.7 | 165.9 | -51.2 | 0 | 0 | 0 | 0 | 109.7 | R212 | R212-S410 PolarHBondContact NH1-OG 2.81Š| ||
| 411 | G | 86.6 | Confident | 83.2 | Confident | 43 Ų | 43 | 73.2 Ų | 73.2 | 44% | 0.443 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 138.1 | 176.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R409 | R409-G411 PolarHBondContact NH1-O 3.01Š|
| 412 | P | 89.6 | Confident | 81.7 | Confident | 116 Ų | 116 | 73.1 Ų | 73.1 | 75% | 0.753 | 40% | 0.404 | S | S | * | . | trans | -61.8 | 147.4 | -176.5 | 26.3 | -34.3 | 0 | 0 | 0 | 111.4 | R409 | R409-P412 PolarHBondContact NH1-O 2.86Å; R409-P412 VanDerWaalsContact NH1-O 3.1Å; R409-P412 PolarHBondContact NH2-O 3.33Å | ||
| 413 | F | 91.1 | Very high | 80.3 | Confident | 57 Ų | 57 | 69.4 Ų | 69.4 | 25% | 0.25 | 38% | 0.378 | C | S | . | . | trans | -143.3 | 161.7 | 173.2 | 63.7 | -86.6 | 0 | 0 | 0 | 109 | Y375 F378 V415 | Y375-F413 HydrophobicContact CD1-CZ 4.44Å; Y375-F413 HydrophobicContact CD2-CE2 4.47Å; Y375-F413 HydrophobicContact CE1-CE2 4.25Å; Y375-F413 AromaticContact CE1-CZ 3.71Å; Y375-F413 HydrophobicContact CE1-CZ 3.71Å; Y375-F413 HydrophobicContact CE2-CE2 4.01Å; Y375-F413 HydrophobicContact CE2-CZ 4.14Å; Y375-F413 AromaticContact CZ-CE2 3.9Å; Y375-F413 AromaticContact CZ-CZ 3.53Å; F378-F413 HydrophobicContact CB-CD2 4.04Å; F378-F413 HydrophobicContact CB-CE2 4.4Å; F413-V415 HydrophobicContact CD2-CG2 4.16Å; F413-V415 HydrophobicContact CE2-CG2 3.75Å | ||
| 414 | E | 87 | Confident | 78.8 | Confident | 177 Ų | 177 | 70.7 Ų | 70.7 | 83% | 0.827 | 37% | 0.372 | S | S | * | . | trans | -111.4 | 135.8 | 178.9 | -67.4 | 179.1 | -174.9 | 0 | 0 | 108.9 | ||||
| 415 | V | 84.8 | Confident | 76.9 | Confident | 54 Ų | 54 | 76.7 Ų | 76.7 | 33% | 0.327 | 40% | 0.395 | S | S | . | . | trans | -95.8 | 128.9 | 172.8 | 178.7 | 0 | 0 | 0 | 0 | 107 | Y375 F378 F413 A417 | Y375-V415 HydrophobicContact CD2-CG2 3.92Å; Y375-V415 HydrophobicContact CE2-CG2 3.71Å; F378-V415 HydrophobicContact CD2-CB 4.28Å; F378-V415 HydrophobicContact CD2-CG1 3.84Å; F378-V415 HydrophobicContact CD2-CG2 4.21Å; F378-V415 HydrophobicContact CE2-CG1 3.88Å; F413-V415 HydrophobicContact CD2-CG2 4.16Å; F413-V415 HydrophobicContact CE2-CG2 3.75Å; V415-A417 PolarHBondContact O-N 3.42Å | ||
| 416 | R | 77.5 | Confident | 75 | Confident | 112 Ų | 112 | 70.7 Ų | 70.7 | 42% | 0.423 | 37% | 0.37 | S | S | . | . | trans | -81.1 | 120.2 | 175.1 | -64.1 | -132.9 | -46.5 | -174.8 | -1.2 | 110.8 | L384 D418 L419 E420 | L384-R416 HydrophobicContact CD1-CG 3.95Å; R416-D418 VanDerWaalsContact CB-OD1 3.22Å; R416-D418 WeakPolarHBondContact CB-OD1 3.48Å; R416-D418 IonicContact CZ-OD1 3.92Å; R416-D418 IonicContact CZ-OD2 3.05Å; R416-D418 IonicContact NE-OD1 3.06Å; R416-D418 PolarHBondContact NE-OD1 3.2Å; R416-D418 IonicContact NE-OD2 3.92Å; R416-D418 IonicContact NH1-OD2 3.17Å; R416-D418 IonicContact NH2-OD1 2.75Å; R416-D418 PolarHBondContact NH2-OD1 3.1Å; R416-D418 VanDerWaalsContact NH2-OD1 3.1Å; R416-D418 IonicContact NH2-OD2 3.9Å; R416-D418 PolarHBondContact NH2-OD2 3.34Å; R416-D418 PolarHBondContact O-N 2.98Å; R416-L419 HydrophobicContact CB-CD1 4.27Å; R416-L419 PolarHBondContact O-N 3.37Å; R416-E420 PolarHBondContact O-N 2.91Å | ||
| 417 | A | 71.7 | Confident | 72.5 | Confident | 71 Ų | 71 | 71.1 Ų | 71.1 | 59% | 0.587 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -59.7 | -30.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V415 E420 E421 | V415-A417 PolarHBondContact O-N 3.42Å; A417-E420 PolarHBondContact O-N 3.42Å; A417-E421 WeakPolarHBondContact O-CB 3.29Å; A417-E421 PolarHBondContact O-N 3.17Å |
| 418 | D | 69.3 | Low | 69.9 | Low | 76 Ų | 76 | 76.3 Ų | 76.3 | 41% | 0.406 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -72.9 | -35.5 | -177.2 | 66.9 | -21 | 0 | 0 | 0 | 113.7 | R416 S422 | R416-D418 VanDerWaalsContact CB-OD1 3.22Å; R416-D418 WeakPolarHBondContact CB-OD1 3.48Å; R416-D418 IonicContact CZ-OD1 3.92Å; R416-D418 IonicContact CZ-OD2 3.05Å; R416-D418 IonicContact NE-OD1 3.06Å; R416-D418 PolarHBondContact NE-OD1 3.2Å; R416-D418 IonicContact NE-OD2 3.92Å; R416-D418 IonicContact NH1-OD2 3.17Å; R416-D418 IonicContact NH2-OD1 2.75Å; R416-D418 PolarHBondContact NH2-OD1 3.1Å; R416-D418 VanDerWaalsContact NH2-OD1 3.1Å; R416-D418 IonicContact NH2-OD2 3.9Å; R416-D418 PolarHBondContact NH2-OD2 3.34Å; R416-D418 PolarHBondContact O-N 2.98Å; D418-S422 WeakPolarHBondContact O-CB 3.19Å; D418-S422 PolarHBondContact O-N 3.27Å |
| 419 | L | 65.5 | Low | 67.5 | Low | 16 Ų | 16 | 79.2 Ų | 79.2 | 8% | 0.084 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -74.1 | -32.3 | 173.3 | -79.6 | 154.8 | 0 | 0 | 0 | 111.3 | F378 P389 R416 S422 | F378-L419 HydrophobicContact CE1-CD1 3.99Å; F378-L419 HydrophobicContact CZ-CB 3.95Å; F378-L419 HydrophobicContact CZ-CD1 3.97Å; P389-L419 HydrophobicContact CG-CD2 3.78Å; R416-L419 HydrophobicContact CB-CD1 4.27Å; R416-L419 PolarHBondContact O-N 3.37Å; L419-S422 PolarHBondContact O-OG 2.94Å |
| 420 | E | 62.8 | Low | 65.2 | Low | 92 Ų | 92 | 79.5 Ų | 79.5 | 43% | 0.43 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.7 | -47.1 | 172.3 | -173.2 | 169.7 | -159 | 0 | 0 | 111.7 | R416 A417 S422 M423 | R416-E420 PolarHBondContact O-N 2.91Å; A417-E420 PolarHBondContact O-N 3.42Å; E420-S422 VanDerWaalsContact C-N 3.31Å; E420-S422 PolarHBondContact O-N 3.3Å; E420-M423 VanDerWaalsContact O-CB 3.26Å; E420-M423 WeakPolarHBondContact O-CB 3.2Å; E420-M423 PolarHBondContact O-N 3.41Å |
| 421 | E | 59.9 | Low | 62.7 | Low | 104 Ų | 104 | 83 Ų | 83 | 49% | 0.486 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.1 | -36.8 | 177.8 | -173.2 | 174 | -160.2 | 0 | 0 | 111.9 | A417 M423 E424 F425 | A417-E421 WeakPolarHBondContact O-CB 3.29Å; A417-E421 PolarHBondContact O-N 3.17Å; E421-M423 PolarHBondContact O-N 3.05Å; E421-M423 VanDerWaalsContact O-N 3.08Å; E421-E424 PolarHBondContact O-N 2.96Å; E421-F425 HydrophobicContact CG-CD2 3.54Å; E421-F425 HydrophobicContact CG-CE2 3.45Å; E421-F425 VanDerWaalsContact CG-CE2 3.45Å; E421-F425 WeakPolarHBondContact O-CD2 3.31Å; E421-F425 PolarHBondContact O-N 3.03Å; E421-F425 WeakPolarHBondContact OE1-CE2 3.44Å |
| 422 | S | 60.2 | Low | 60.3 | Low | 29 Ų | 29 | 84.1 Ų | 84.1 | 20% | 0.203 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -62.5 | -15.6 | 175.8 | 74.9 | 0 | 0 | 0 | 0 | 114.5 | P389 D418 L419 E420 | P389-S422 WeakPolarHBondContact CG-OG 3.33Å; D418-S422 WeakPolarHBondContact O-CB 3.19Å; D418-S422 PolarHBondContact O-N 3.27Å; L419-S422 PolarHBondContact O-OG 2.94Å; E420-S422 VanDerWaalsContact C-N 3.31Å; E420-S422 PolarHBondContact O-N 3.3Å |
| 423 | M | 59.3 | Low | 57.6 | Low | 19 Ų | 19 | 86.6 Ų | 86.6 | 9% | 0.094 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -86.5 | -26.2 | 173.8 | -155.1 | 96.1 | 62.9 | 0 | 0 | 112.7 | K367 N370 A371 L374 E420 E421 | K367-M423 HydrophobicContact CB-CG 4.12Å; K367-M423 HydrophobicContact CG-CG 4.36Å; N370-M423 VanDerWaalsContact C-CE 3.49Å; N370-M423 HydrophobicContact CB-CE 3.98Å; N370-M423 HydrophobicContact CB-SD 3.63Å; A371-M423 HydrophobicContact CB-CE 3.73Å; L374-M423 HydrophobicContact CD1-CE 3.54Å; L374-M423 HydrophobicContact CG-CE 4.42Å; E420-M423 VanDerWaalsContact O-CB 3.26Å; E420-M423 WeakPolarHBondContact O-CB 3.2Å; E420-M423 PolarHBondContact O-N 3.41Å; E421-M423 PolarHBondContact O-N 3.05Å; E421-M423 VanDerWaalsContact O-N 3.08Å |
| 424 | E | 53.7 | Low | 54.9 | Low | 134 Ų | 134 | 89.1 Ų | 89.1 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -85 | -32.5 | -176 | -64.7 | -166.1 | 155.1 | 0 | 0 | 112.7 | E421 V426 | E421-E424 PolarHBondContact O-N 2.96Å; E424-V426 PolarHBondContact O-N 3.03Å |
| 425 | F | 47 | Very low | 52.6 | Low | 149 Ų | 149 | 88.5 Ų | 88.5 | 65% | 0.654 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -82.1 | 2.3 | -169.7 | -89.5 | -86.3 | 0 | 0 | 0 | 117.6 | E421 D427 | E421-F425 HydrophobicContact CG-CD2 3.54Å; E421-F425 HydrophobicContact CG-CE2 3.45Å; E421-F425 VanDerWaalsContact CG-CE2 3.45Å; E421-F425 WeakPolarHBondContact O-CD2 3.31Å; E421-F425 PolarHBondContact O-N 3.03Å; E421-F425 WeakPolarHBondContact OE1-CE2 3.44Å; F425-D427 VanDerWaalsContact C-N 3.33Å; F425-D427 PolarHBondContact O-N 3.48Å |
| 426 | V | 45.5 | Very low | 50.3 | Low | 39 Ų | 39 | 94.5 Ų | 94.5 | 24% | 0.236 | 54% | 0.544 | C | S | . | . | trans | -93.1 | 45.2 | -171.6 | -161.1 | 0 | 0 | 0 | 0 | 112.7 | S265 K367 E424 | S265-V426 VanDerWaalsContact CB-CG1 3.44Å; S265-V426 VanDerWaalsContact O-CG1 3.29Å; S265-V426 WeakPolarHBondContact O-CG1 3.21Å; K367-V426 PolarHBondContact NZ-O 3.38Å; E424-V426 PolarHBondContact O-N 3.03Å | ||
| 427 | D | 41.1 | Very low | 48.5 | Very low | 95 Ų | 95 | 94.5 Ų | 94.5 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | trans | -146.7 | 78 | 162.5 | -137.6 | -15.6 | 0 | 0 | 0 | 112.7 | F425 G429 | F425-D427 VanDerWaalsContact C-N 3.33Å; F425-D427 PolarHBondContact O-N 3.48Å; D427-G429 PolarHBondContact O-N 3.44Å | ||
| 428 | P | 38.8 | Very low | 46.6 | Very low | 114 Ų | 114 | 94.4 Ų | 94.4 | 74% | 0.74 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -2.4 | 174.6 | -11 | 27.8 | 0 | 0 | 0 | 113.5 | ||
| 429 | G | 42.4 | Very low | 45.5 | Very low | 61 Ų | 61 | 97.5 Ų | 97.5 | 63% | 0.629 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -9.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | D427 | D427-G429 PolarHBondContact O-N 3.44Š|
| 430 | V | 45 | Very low | 44 | Very low | 75 Ų | 75 | 104 Ų | 104 | 46% | 0.455 | 61% | 0.614 | S | S | . | * | trans | -124.9 | 47.4 | -167.9 | -162.7 | 0 | 0 | 0 | 0 | 111.6 | G432 | V430-G432 VanDerWaalsContact C-N 3.31Š| ||
| 431 | A | 38.1 | Very low | 42.7 | Very low | 110 Ų | 110 | 110 Ų | 110 | 91% | 0.909 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -92 | 7.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 432 | G | 35.8 | Very low | 41.6 | Very low | 66 Ų | 66 | 111.1 Ų | 111.1 | 68% | 0.68 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -171.8 | 54.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V430 | V430-G432 VanDerWaalsContact C-N 3.31Š|
| 433 | E | 33.9 | Very low | 40.5 | Very low | 168 Ų | 168 | 114.5 Ų | 114.5 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | trans | -131.9 | 114.2 | 153.2 | -73.5 | -170.6 | 163.7 | 0 | 0 | 108.1 | ||||
| 434 | S | 33.1 | Very low | 39.6 | Very low | 111 Ų | 111 | 119 Ų | 119 | 78% | 0.776 | 70% | 0.695 | S | S | * | * | trans | -59.3 | 136.3 | -179.4 | 35 | 0 | 0 | 0 | 0 | 112 | E436 | S434-E436 PolarHBondContact O-N 3.4Å; S434-E436 VanDerWaalsContact O-N 3.15Å | ||
| 435 | D | 39.6 | Very low | 39 | Very low | 163 Ų | 163 | 120.7 Ų | 120.7 | 87% | 0.872 | 70% | 0.702 | S | S | * | * | trans | -41.6 | 105.2 | 163.5 | -152.4 | 7.4 | 0 | 0 | 0 | 111.6 | ||||
| 436 | E | 35 | Very low | 39 | Very low | 180 Ų | 180 | 122 Ų | 122 | 84% | 0.841 | 71% | 0.71 | S | S | * | * | trans | -114.2 | 97.7 | 158.9 | -85.5 | -136.5 | 135.2 | 0 | 0 | 109.4 | S434 | S434-E436 PolarHBondContact O-N 3.4Å; S434-E436 VanDerWaalsContact O-N 3.15Å | ||
| 437 | S | 41.1 | Very low | 39 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | 50.7 | 101.7 | 129.2 | -177.5 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 438 | G | 31.5 | Very low | 38.9 | Very low | 69 Ų | 69 | 126.4 Ų | 126.4 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | -172.5 | 94.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | E440 | G438-E440 PolarHBondContact O-N 3.33Å; G438-E440 VanDerWaalsContact O-N 3.08Å | ||
| 439 | D | 45.3 | Very low | 38.8 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | trans | -41.9 | 104.4 | 173.2 | -175.4 | 22.8 | 0 | 0 | 0 | 112.6 | ||||
| 440 | E | 34.5 | Very low | 38.7 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 72% | 0.715 | 73% | 0.725 | S | S | * | * | trans | -140.2 | 99 | 162.1 | -92.4 | -80.7 | 156.7 | 0 | 0 | 105.6 | G438 V442 | G438-E440 PolarHBondContact O-N 3.33Å; G438-E440 VanDerWaalsContact O-N 3.08Å; E440-V442 PolarHBondContact O-N 2.76Å | ||
| 441 | R | 35.3 | Very low | 38.4 | Very low | 216 Ų | 216 | 129.3 Ų | 129.3 | 82% | 0.815 | 74% | 0.739 | S | S | * | * | trans | -56.1 | 106.6 | 175.9 | -62 | 178.5 | -174.3 | -157.4 | 0.3 | 108.6 | S443 | R441-S443 VanDerWaalsContact C-N 3.3Å; R441-S443 PolarHBondContact O-N 3.43Å | ||
| 442 | V | 37.8 | Very low | 38.5 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -63.3 | 102.6 | 157.3 | -174.2 | 0 | 0 | 0 | 0 | 105.2 | E440 D444 | E440-V442 PolarHBondContact O-N 2.76Å; V442-D444 HydrophobicContact CG1-CB 4.14Å; V442-D444 PolarHBondContact O-N 3.15Å | ||
| 443 | S | 36 | Very low | 39.2 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | trans | -67.9 | 83.9 | 163.3 | -179.2 | 0 | 0 | 0 | 0 | 106.5 | R441 E445 | R441-S443 VanDerWaalsContact C-N 3.3Å; R441-S443 PolarHBondContact O-N 3.43Å; S443-E445 VanDerWaalsContact C-N 3.27Å | ||
| 444 | D | 41.2 | Very low | 39.6 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 62% | 0.615 | 74% | 0.736 | S | S | * | * | trans | -101.1 | 55.4 | 160.8 | -155.9 | -1.5 | 0 | 0 | 0 | 106.9 | V442 T447 | V442-D444 HydrophobicContact CG1-CB 4.14Å; V442-D444 PolarHBondContact O-N 3.15Å; D444-T447 PolarHBondContact OD1-OG1 3Å; D444-T447 VanDerWaalsContact OD1-OG1 3.07Å | ||
| 445 | E | 41.4 | Very low | 40.4 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | -78.3 | 129.5 | 151.9 | -99.4 | 175.5 | 128.1 | 0 | 0 | 105.5 | S443 | S443-E445 VanDerWaalsContact C-N 3.27Š| ||
| 446 | E | 45.9 | Very low | 40.6 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 102.7 | 29.7 | -179.4 | -54.7 | -87.5 | 136.6 | 0 | 0 | 117.4 | K346 | K346-E446 PolarHBondContact NZ-O 2.9Š|
| 447 | T | 46.2 | Very low | 41.1 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 47% | 0.472 | 72% | 0.722 | S | S | . | * | trans | -139.6 | 46.1 | 154.7 | -19.4 | 0 | 0 | 0 | 0 | 114.7 | K346 D444 | K346-T447 PolarHBondContact NZ-OG1 3.08Å; D444-T447 PolarHBondContact OD1-OG1 3Å; D444-T447 VanDerWaalsContact OD1-OG1 3.07Å | ||
| 448 | D | 38.3 | Very low | 40.9 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 81% | 0.807 | 72% | 0.719 | S | S | * | * | trans | -96.5 | 72.5 | 152.5 | -170.3 | 18.8 | 0 | 0 | 0 | 108.8 | ||||
| 449 | L | 37.6 | Very low | 41.2 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 84% | 0.843 | 72% | 0.72 | S | S | * | * | trans | -122.1 | 86.4 | 168.1 | -74.4 | 177.8 | 0 | 0 | 0 | 108.9 | ||||
| 450 | G | 39.6 | Very low | 41 | Very low | 30 Ų | 30 | 140.7 Ų | 140.7 | 31% | 0.309 | 73% | 0.727 | S | S | . | * | trans | 93.7 | 71.2 | 134.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | D452 | G450-D452 PolarHBondContact O-N 3.36Å; G450-D452 VanDerWaalsContact O-N 3.16Å | ||
| 451 | T | 39.6 | Very low | 41.1 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -62 | -1.7 | 144.4 | -34.4 | 0 | 0 | 0 | 0 | 111.8 | W453 | T451-W453 VanDerWaalsContact C-N 3.34Å; T451-W453 PolarHBondContact O-N 3.18Å |
| 452 | D | 40.5 | Very low | 41.1 | Very low | 128 Ų | 128 | 138 Ų | 138 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -80.8 | -5.1 | -179.9 | -67.7 | -26.7 | 0 | 0 | 0 | 114.7 | G450 E454 N455 | G450-D452 PolarHBondContact O-N 3.36Å; G450-D452 VanDerWaalsContact O-N 3.16Å; D452-E454 VanDerWaalsContact C-N 3.25Å; D452-E454 PolarHBondContact O-N 2.91Å; D452-N455 PolarHBondContact O-N 3.33Å |
| 453 | W | 50.7 | Low | 41 | Very low | 217 Ų | 217 | 139 Ų | 139 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -72.7 | -15.2 | 174.2 | -76.8 | 101.6 | 0 | 0 | 0 | 113.8 | T451 | T451-W453 VanDerWaalsContact C-N 3.34Å; T451-W453 PolarHBondContact O-N 3.18Å |
| 454 | E | 41.8 | Very low | 41 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -92.3 | -8.9 | 177.6 | -65.4 | -166.6 | 146.3 | 0 | 0 | 113.8 | D452 | D452-E454 VanDerWaalsContact C-N 3.25Å; D452-E454 PolarHBondContact O-N 2.91Å |
| 455 | N | 49.6 | Very low | 40.6 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | -109.2 | 58.3 | -179.9 | -80.2 | -22.9 | 0 | 0 | 0 | 112.2 | D452 P457 | D452-N455 PolarHBondContact O-N 3.33Å; N455-P457 WeakPolarHBondContact O-CD 3.31Å | ||
| 456 | L | 44.1 | Very low | 40.3 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | -73.2 | 123.1 | 160.6 | -69.1 | 176.3 | 0 | 0 | 0 | 108.8 | S458 | L456-S458 PolarHBondContact O-N 2.98Å; L456-S458 VanDerWaalsContact O-N 3.14Å | ||
| 457 | P | 45.8 | Very low | 39.6 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | trans | -57.9 | 124.1 | 167.9 | -15.2 | 27.2 | 0 | 0 | 0 | 107.9 | N455 | N455-P457 WeakPolarHBondContact O-CD 3.31Š| ||
| 458 | S | 36.3 | Very low | 38.8 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -43.4 | 125.7 | 175.7 | -160.3 | 0 | 0 | 0 | 0 | 109.3 | L456 R460 | L456-S458 PolarHBondContact O-N 2.98Å; L456-S458 VanDerWaalsContact O-N 3.14Å; S458-R460 PolarHBondContact O-N 2.81Å | ||
| 459 | P | 38.9 | Very low | 38.6 | Very low | 112 Ų | 112 | 139 Ų | 139 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -63.1 | 105.5 | -173.1 | 23.8 | -31.1 | 0 | 0 | 0 | 107.6 | F461 | P459-F461 PolarHBondContact O-N 2.82Š| ||
| 460 | R | 40.8 | Very low | 38.3 | Very low | 236 Ų | 236 | 140 Ų | 140 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | trans | -60.4 | 112.2 | 162.6 | -69.7 | -163.2 | 179.6 | 167.8 | 2.6 | 105 | S458 C462 | S458-R460 PolarHBondContact O-N 2.81Å; R460-C462 PolarHBondContact O-N 3.18Å; R460-C462 VanDerWaalsContact O-N 3.1Å | ||
| 461 | F | 36.9 | Very low | 37.9 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 83% | 0.833 | 78% | 0.778 | S | S | * | * | trans | -35.5 | 120.4 | 170.6 | -87.8 | -100.8 | 0 | 0 | 0 | 108.8 | P459 D463 | P459-F461 PolarHBondContact O-N 2.82Å; F461-D463 VanDerWaalsContact C-N 3.32Å; F461-D463 PolarHBondContact O-N 2.88Å | ||
| 462 | C | 34.2 | Very low | 37.4 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -60.7 | 103.3 | 165.9 | -64.6 | 0 | 0 | 0 | 0 | 106.5 | R460 I464 | R460-C462 PolarHBondContact O-N 3.18Å; R460-C462 VanDerWaalsContact O-N 3.1Å; C462-I464 PolarHBondContact O-N 3.08Å | ||
| 463 | D | 36.2 | Very low | 36.9 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -57.2 | 106.5 | 165.5 | -75.4 | -40.8 | 0 | 0 | 0 | 107.1 | F461 P465 | F461-D463 VanDerWaalsContact C-N 3.32Å; F461-D463 PolarHBondContact O-N 2.88Å; D463-P465 WeakPolarHBondContact O-CD 3.23Å | ||
| 464 | I | 36.3 | Very low | 36 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -58.9 | 119.1 | 172 | -61.1 | 165.8 | 0 | 0 | 0 | 105.9 | C462 S466 | C462-I464 PolarHBondContact O-N 3.08Å; I464-S466 VanDerWaalsContact C-N 3.29Å; I464-S466 PolarHBondContact O-N 2.96Å | ||
| 465 | P | 33 | Very low | 35.5 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -72.3 | 91 | 178.3 | 27.9 | -30.3 | 0 | 0 | 0 | 108.4 | D463 Q467 | D463-P465 WeakPolarHBondContact O-CD 3.23Å; P465-Q467 VanDerWaalsContact C-N 3.3Å; P465-Q467 PolarHBondContact O-N 3.36Å | ||
| 466 | S | 33.9 | Very low | 34.5 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -71.9 | 91.5 | 162.5 | 50.8 | 0 | 0 | 0 | 0 | 107.7 | I464 S468 | I464-S466 VanDerWaalsContact C-N 3.29Å; I464-S466 PolarHBondContact O-N 2.96Å; S466-S468 PolarHBondContact O-N 3.18Å; S466-S468 VanDerWaalsContact O-N 3.13Å | ||
| 467 | Q | 31.5 | Very low | 33.9 | Very low | 175 Ų | 175 | 140 Ų | 140 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -58.6 | 113 | 167.6 | -69 | -173.9 | -5 | 0 | 0 | 109.1 | P465 | P465-Q467 VanDerWaalsContact C-N 3.3Å; P465-Q467 PolarHBondContact O-N 3.36Å | ||
| 468 | S | 29.9 | Very low | 33.3 | Very low | 116 Ų | 116 | 143 Ų | 143 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -80.1 | 110.5 | 159.7 | 53.5 | 0 | 0 | 0 | 0 | 108.1 | S466 | S466-S468 PolarHBondContact O-N 3.18Å; S466-S468 VanDerWaalsContact O-N 3.13Å | ||
| 469 | V | 32.9 | Very low | 33 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | trans | -79.9 | 114.8 | 165.6 | 176.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 470 | E | 32.3 | Very low | 32.6 | Very low | 183 Ų | 183 | 142.9 Ų | 142.9 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -163.6 | 96.6 | 154.7 | -107.9 | 166.4 | -161.9 | 0 | 0 | 107 | ||||
| 471 | V | 31.5 | Very low | 33 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | 58 | 95.4 | 99.8 | -179.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 472 | S | 28.6 | Very low | 33.5 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 20.9 | 121.3 | 145.2 | -55.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 473 | Q | 30.6 | Very low | 33.3 | Very low | 202 Ų | 202 | 135 Ų | 135 | 94% | 0.944 | 79% | 0.785 | S | S | * | * | -155.9 | 138 | 125.3 | -108.9 | 168.3 | 33.2 | 0 | 0 | 112.3 | |||||
| 474 | S | 30.4 | Very low | 32.9 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -66.2 | 147.9 | -169.8 | -39 | 0 | 0 | 0 | 0 | 115 | ||||
| 475 | Q | 31.5 | Very low | 32.6 | Very low | 181 Ų | 181 | 129.6 Ų | 129.6 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | 170.8 | 130.9 | 115.2 | -95.7 | 176.1 | 8.6 | 0 | 0 | 112.7 | |||||
| 476 | S | 29 | Very low | 32.4 | Very low | 94 Ų | 94 | 129.2 Ų | 129.2 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | 32.8 | 135.5 | 141.4 | 60.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 477 | T | 31.6 | Very low | 32.2 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | cis | -179.5 | 152.4 | 39 | -6.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 478 | Q | 33.3 | Very low | 32.2 | Very low | 179 Ų | 179 | 126.1 Ų | 126.1 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | 79 | 110.9 | 149.3 | -63.7 | -168.4 | 19.9 | 0 | 0 | 122.8 | ||||
| 479 | A | 29.4 | Very low | 32.1 | Very low | 99 Ų | 99 | 124.5 Ų | 124.5 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | 66.8 | 137.8 | 120.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 480 | S | 31 | Very low | 31.9 | Very low | 114 Ų | 114 | 122 Ų | 122 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -82.6 | -163.5 | -166.4 | -44.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 481 | P | 48.3 | Very low | 31.9 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | -112.1 | -149.7 | -105.6 | 39.5 | -16.8 | 0 | 0 | 0 | 110.6 | |||||
| 482 | P | 48.5 | Very low | 32 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | cis | -143.7 | 177.4 | -1.5 | 35.9 | -11.3 | 0 | 0 | 0 | 118.3 | ||||
| 483 | I | 29.8 | Very low | 32 | Very low | 163 Ų | 163 | 122.9 Ų | 122.9 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | 52.6 | 135.3 | 137.8 | -63 | 160 | 0 | 0 | 0 | 122.4 | ||||
| 484 | A | 28.3 | Very low | 32 | Very low | 81 Ų | 81 | 118.8 Ų | 118.8 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | 116.9 | 114.2 | 142.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 485 | S | 29.3 | Very low | 32.2 | Very low | 103 Ų | 103 | 118.7 Ų | 118.7 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | 52.1 | 127 | 129.3 | 67.7 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 486 | S | 28.9 | Very low | 32.1 | Very low | 109 Ų | 109 | 114.7 Ų | 114.7 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 55.1 | 117 | 136.2 | 61.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 487 | S | 30.3 | Very low | 32.1 | Very low | 119 Ų | 119 | 114.7 Ų | 114.7 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | -179.6 | 150.9 | 105.2 | 69.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 488 | A | 30.8 | Very low | 32.1 | Very low | 101 Ų | 101 | 114.2 Ų | 114.2 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -70.3 | 151.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 489 | G | 28.3 | Very low | 32.1 | Very low | 83 Ų | 83 | 111.8 Ų | 111.8 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | 112.5 | 109.9 | 147.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 490 | G | 28.6 | Very low | 32.1 | Very low | 68 Ų | 68 | 113.2 Ų | 113.2 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 137 | 143.8 | 131.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 491 | M | 31.7 | Very low | 31.9 | Very low | 177 Ų | 177 | 112.6 Ų | 112.6 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | 85.1 | 96.2 | 157.2 | -46.8 | -166.4 | -57.2 | 0 | 0 | 114.6 | ||||
| 492 | I | 33.1 | Very low | 31.2 | Very low | 159 Ų | 159 | 118.5 Ų | 118.5 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | 39.8 | 110 | 69.9 | -22 | 165.4 | 0 | 0 | 0 | 114.1 | |||||
| 493 | S | 29.6 | Very low | 30.4 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | 150.9 | 106.5 | 138.9 | -72.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 494 | S | 30.6 | Very low | 30.7 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | 87.3 | 110.8 | 87.5 | -64.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 495 | A | 33.9 | Very low | 30.8 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | 178.1 | 118.7 | 126 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 496 | A | 29.8 | Very low | 30.9 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -89.4 | 167.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 497 | A | 30.2 | Very low | 31.3 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | trans | 80.9 | 121.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 498 | S | 29.7 | Very low | 31.4 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | -169.9 | 139.5 | 63.8 | -106.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 499 | V | 33.3 | Very low | 31.5 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 53 | 106.1 | 150.1 | -82.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 500 | T | 30.2 | Very low | 31.6 | Very low | 129 Ų | 129 | 145 Ų | 145 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | -6.6 | 130.4 | 128.5 | 48.5 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 501 | S | 27.3 | Very low | 31.8 | Very low | 101 Ų | 101 | 148.9 Ų | 148.9 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | 150.2 | 120 | 125.1 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 502 | W | 32.3 | Very low | 31.8 | Very low | 239 Ų | 239 | 147.4 Ų | 147.4 | 91% | 0.905 | 82% | 0.822 | S | S | * | * | trans | 178.1 | 77.7 | 140.6 | -91 | 10.3 | 0 | 0 | 0 | 109.7 | ||||
| 503 | F | 32.7 | Very low | 31.7 | Very low | 213 Ų | 213 | 146.8 Ų | 146.8 | 93% | 0.934 | 82% | 0.822 | S | S | * | * | trans | -152.7 | 89.2 | 152 | -106 | -77.6 | 0 | 0 | 0 | 108.7 | ||||
| 504 | K | 35.1 | Very low | 31.8 | Very low | 205 Ų | 205 | 149.2 Ų | 149.2 | 89% | 0.891 | 83% | 0.827 | S | S | * | * | trans | -158.7 | 108.5 | 147.3 | -127.9 | 174.3 | -178.5 | 175.2 | 0 | 111 | ||||
| 505 | A | 32.3 | Very low | 31.9 | Very low | 92 Ų | 92 | 151.3 Ų | 151.3 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | trans | 34.2 | 112.3 | 140.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 506 | Y | 29.9 | Very low | 31.7 | Very low | 217 Ų | 217 | 154.4 Ų | 154.4 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | -125.7 | 99.7 | 151.3 | -128.3 | -93 | 0 | 0 | 0 | 109.3 | ||||
| 507 | T | 37.3 | Very low | 31.9 | Very low | 145 Ų | 145 | 158.4 Ų | 158.4 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | -106.4 | 92 | 146.1 | 50.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 508 | G | 33.8 | Very low | 32 | Very low | 49 Ų | 49 | 163.4 Ų | 163.4 | 51% | 0.505 | 83% | 0.831 | S | S | . | * | trans | -79.8 | 158.4 | 150.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 509 | H | 32.5 | Very low | 32.2 | Very low | 178 Ų | 178 | 168 Ų | 168 | 82% | 0.824 | 84% | 0.837 | S | S | * | * | cis | -165.9 | 131.6 | 18.9 | -113 | -19.1 | 0 | 0 | 0 | 105.6 | ||||
| 510 | R | 30 | Very low | 32.1 | Very low | 320 Ų | 320 | 171.6 Ų | 171.6 | 100% | 1.208 | 84% | 0.842 | S | S | * | * | -170.6 | 0 | 107.2 | -122.2 | -178 | -178.6 | 172.6 | 1.4 | 111.1 |
Retrieved 510 of 510 residues in 870.9 ms
(Link to these results)