| 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 | 36.7 | Very low | 45.5 | Very low | 229 Ų | 229 | 139.9 Ų | 139.9 | 100% | 1.128 | 83% | 0.833 | S | S | * | * | 0 | 133 | 0 | -80.9 | 171 | 177.8 | 0 | 0 | 108.5 | |||||
| 2 | I | 40.3 | Very low | 45.2 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 78% | 0.779 | 84% | 0.839 | S | S | * | * | trans | 65.5 | 124 | 135 | -57.8 | 169.5 | 0 | 0 | 0 | 119.1 | ||||
| 3 | V | 48.9 | Very low | 44.9 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | trans | -103 | 149 | 163.2 | -156.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 4 | P | 55.5 | Low | 44.3 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | -135.1 | 136.5 | 115 | 29.1 | -14.4 | 0 | 0 | 0 | 111.3 | |||||
| 5 | A | 40.3 | Very low | 43.5 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 78% | 0.777 | 83% | 0.833 | S | S | * | * | 72.3 | 113.7 | 53.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 6 | A | 49.9 | Very low | 43.1 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 78% | 0.777 | 83% | 0.832 | S | S | * | * | trans | -122 | 140.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 7 | P | 58 | Low | 42.9 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 141.7 | -179.3 | 33 | -33.9 | 0 | 0 | 0 | 112.8 | ||
| 8 | Y | 41.3 | Very low | 42.8 | Very low | 236 Ų | 236 | 145.6 Ų | 145.6 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 162.3 | 172 | -112.2 | -105.4 | 0 | 0 | 0 | 111.4 | ||
| 9 | L | 42.6 | Very low | 42.8 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 141.7 | 179 | -64.9 | 166.5 | 0 | 0 | 0 | 112.9 | ||
| 10 | P | 49.8 | Very low | 42.4 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 80% | 0.799 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 160.8 | 149.3 | 36.3 | -30.9 | 0 | 0 | 0 | 110.5 | ||
| 11 | G | 37.4 | Very low | 42.3 | Very low | 71 Ų | 71 | 139.4 Ų | 139.4 | 73% | 0.732 | 83% | 0.83 | S | S | * | * | cis | 156.8 | 131.5 | -2.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 12 | L | 42 | Very low | 42.6 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | -143.8 | 172.2 | -179.2 | -88.3 | 174.5 | 0 | 0 | 0 | 111.1 | ||||
| 13 | I | 41.4 | Very low | 43.5 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | 90.1 | 86.2 | 167.8 | -47.6 | 171.7 | 0 | 0 | 0 | 116.9 | ||||
| 14 | Q | 36.8 | Very low | 43.2 | Very low | 193 Ų | 193 | 130.8 Ų | 130.8 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | 47.2 | 131.6 | 108.2 | -168.5 | 173 | -4.7 | 0 | 0 | 121.9 | |||||
| 15 | G | 31.9 | Very low | 42.6 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | 176.7 | 141.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 16 | N | 36.8 | Very low | 42.8 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -121.2 | 155 | -178.8 | -82.9 | 3.1 | 0 | 0 | 0 | 112.3 | ||||
| 17 | Q | 39.6 | Very low | 42.4 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | 176.7 | 112 | 135 | -97.9 | 157.2 | 6.3 | 0 | 0 | 108.6 | ||||
| 18 | E | 42 | Very low | 41.9 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | 74.9 | 137.5 | 87.3 | -71.7 | 166.5 | 66.3 | 0 | 0 | 113.1 | |||||
| 19 | A | 41.2 | Very low | 42.2 | Very low | 100 Ų | 100 | 131 Ų | 131 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | cis | -132.8 | -155.7 | 12 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 20 | A | 36.2 | Very low | 41.9 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | cis | -152.6 | -134.3 | 13.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 21 | A | 38.7 | Very low | 41.6 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -123.1 | 171.5 | -162.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 22 | A | 43.3 | Very low | 41.6 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | cis | 171 | -170.7 | -23.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 23 | P | 59.3 | Low | 41.6 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | cis | -106.2 | -157.2 | -36.9 | 23.2 | 1.7 | 0 | 0 | 0 | 109.1 | ||||
| 24 | D | 43.3 | Very low | 41.4 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | cis | -157.7 | 167.8 | 27 | -88.6 | -60.2 | 0 | 0 | 0 | 108.6 | ||||
| 25 | T | 42.9 | Very low | 41.4 | Very low | 134 Ų | 134 | 132 Ų | 132 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | cis | -145.8 | 167.9 | -0.6 | -3.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 26 | M | 44.4 | Very low | 41.8 | Very low | 177 Ų | 177 | 133 Ų | 133 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -94.1 | 143 | -175.1 | -67.4 | 178.9 | 167.7 | 0 | 0 | 116.3 | ||||
| 27 | A | 42.3 | Very low | 42.3 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -176.9 | 106.9 | 135.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 28 | Q | 46.9 | Very low | 42.8 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | 72.1 | 151.1 | 78.9 | -63.7 | -60.9 | -13.5 | 0 | 0 | 114.2 | |||||
| 29 | P | 48.4 | Very low | 42.9 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | trans | -112.5 | 167.6 | -135.7 | 41.1 | -33.7 | 0 | 0 | 0 | 114.5 | ||||
| 30 | Y | 35 | Very low | 42.8 | Very low | 234 Ų | 234 | 131.2 Ų | 131.2 | 92% | 0.918 | 79% | 0.79 | S | S | * | * | trans | -122.6 | 134.4 | 165.9 | -82.1 | -83.4 | 0 | 0 | 0 | 112.3 | ||||
| 31 | A | 43.5 | Very low | 42.7 | Very low | 87 Ų | 87 | 129.6 Ų | 129.6 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | trans | -130.5 | 168.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 32 | S | 38.5 | Very low | 43.2 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | trans | 63.1 | 132.9 | 176.4 | 68 | 0 | 0 | 0 | 0 | 117 | ||||
| 33 | A | 41.1 | Very low | 43.1 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -136.8 | 105.9 | 171 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 34 | Q | 38.1 | Very low | 42.2 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -159 | 136.5 | 177.5 | -120.3 | 171.3 | -19.5 | 0 | 0 | 111.8 | ||||
| 35 | F | 37.1 | Very low | 41.7 | Very low | 182 Ų | 182 | 136.2 Ų | 136.2 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | trans | 66.6 | 105.7 | 169.2 | -71.9 | -83.7 | 0 | 0 | 0 | 121.2 | ||||
| 36 | A | 40 | Very low | 41.5 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | 38.7 | 164.5 | 114.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 37 | P | 46.9 | Very low | 41 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | cis | -127.7 | -159.4 | -11.2 | 42.9 | -26.8 | 0 | 0 | 0 | 112.2 | ||||
| 38 | P | 49.9 | Very low | 40.9 | Very low | 128 Ų | 128 | 138 Ų | 138 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -127.9 | 137 | 146.4 | 36 | -25.4 | 0 | 0 | 0 | 115.1 | ||||
| 39 | Q | 44.2 | Very low | 41 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | trans | -121.2 | 166.4 | 159.5 | -85.8 | -171.2 | -5.8 | 0 | 0 | 106.6 | ||||
| 40 | N | 39.5 | Very low | 40.7 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | cis | -156.4 | 166.7 | -3.8 | -117.7 | -6.9 | 0 | 0 | 0 | 106.7 | ||||
| 41 | G | 33.8 | Very low | 41.2 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 176.4 | 58.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 42 | I | 48.3 | Very low | 41 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -81.3 | 161.8 | 164.3 | 56.9 | 171.5 | 0 | 0 | 0 | 111 | ||||
| 43 | P | 42.3 | Very low | 41.3 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | -118.3 | 160.6 | 107.3 | 34.9 | -35.2 | 0 | 0 | 0 | 112.1 | |||||
| 44 | A | 40.2 | Very low | 41.2 | Very low | 87 Ų | 87 | 136.8 Ų | 136.8 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | -122.9 | 144.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 45 | E | 32.1 | Very low | 41.8 | Very low | 197 Ų | 197 | 134.8 Ų | 134.8 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -142 | 143.5 | 159.8 | -128.5 | 171.1 | 169.3 | 0 | 0 | 112.7 | ||||
| 46 | Y | 39.1 | Very low | 41.5 | Very low | 223 Ų | 223 | 134.4 Ų | 134.4 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | trans | -64.1 | 163 | -164.6 | -94.3 | -115.8 | 0 | 0 | 0 | 116.3 | ||||
| 47 | T | 33.2 | Very low | 41.2 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | 118.8 | 121.7 | 139.7 | -48.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 48 | A | 41.7 | Very low | 40.8 | Very low | 86 Ų | 86 | 140 Ų | 140 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -117.5 | 167.2 | 148.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 49 | P | 47.7 | Very low | 40.1 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | cis | -140.6 | 166.3 | 12.1 | 43.3 | -26.4 | 0 | 0 | 0 | 117.3 | ||||
| 50 | H | 42.8 | Very low | 39.7 | Very low | 179 Ų | 179 | 138.7 Ų | 138.7 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | 60.8 | 177.5 | 164.1 | -55.1 | -54.9 | 0 | 0 | 0 | 116.2 | ||||
| 51 | P | 44.7 | Very low | 39.5 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | cis | -123.8 | -165.3 | -9.1 | 42.5 | -26.8 | 0 | 0 | 0 | 114 | ||||
| 52 | H | 39.7 | Very low | 39.7 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -72.9 | 159.6 | 168.8 | -63.1 | -90.1 | 0 | 0 | 0 | 112.7 | ||||
| 53 | P | 44 | Very low | 39.4 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | -141.2 | -176.2 | 105.2 | 39.1 | -25.9 | 0 | 0 | 0 | 114.8 | |||||
| 54 | A | 39.8 | Very low | 39.6 | Very low | 84 Ų | 84 | 138 Ų | 138 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | trans | -87.2 | -176.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 55 | P | 50.2 | Low | 39.1 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | -132 | 162.9 | 96.3 | 39.3 | -32.5 | 0 | 0 | 0 | 115.4 | |||||
| 56 | E | 30.9 | Very low | 39.3 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -80.4 | 156 | 172.6 | -50.9 | 161.1 | 122.7 | 0 | 0 | 109.3 | ||||
| 57 | Y | 34.7 | Very low | 39.2 | Very low | 207 Ų | 207 | 135.3 Ų | 135.3 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | 179.4 | 157.5 | 68.3 | -142.9 | -141 | 0 | 0 | 0 | 104.7 | |||||
| 58 | T | 37.2 | Very low | 39.4 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | cis | -161.8 | 164 | 8.5 | -15.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 59 | G | 35.7 | Very low | 39.3 | Very low | 76 Ų | 76 | 140.9 Ų | 140.9 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | 141.9 | 114.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 60 | Q | 36.9 | Very low | 38.5 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | -93.3 | 146.7 | 179.8 | -62.1 | 163.5 | -85.7 | 0 | 0 | 112 | ||||
| 61 | T | 34 | Very low | 38.4 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | 174.9 | 110.4 | 120.3 | -72.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 62 | T | 38.5 | Very low | 38.7 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | 24.4 | 123.7 | 154.7 | 60.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 63 | V | 41.6 | Very low | 39.4 | Very low | 122 Ų | 122 | 143 Ų | 143 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | trans | -73.8 | 166.6 | 148 | -127.1 | 0 | 0 | 0 | 0 | 110.3 | E65 | V63-E65 HydrophobicContact CG1-CB 4.4Š| ||
| 64 | P | 45.9 | Very low | 38.7 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | -127 | 152.5 | 53.9 | 39.4 | -25.1 | 0 | 0 | 0 | 113.7 | |||||
| 65 | E | 31.6 | Very low | 38.4 | Very low | 151 Ų | 151 | 145.4 Ų | 145.4 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | 68.2 | 120.4 | 54.6 | -160.9 | 171.3 | 146.3 | 0 | 0 | 113.7 | V63 | V63-E65 HydrophobicContact CG1-CB 4.4Š| |||
| 66 | H | 35.4 | Very low | 37.4 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -115.7 | 124.2 | -172.2 | -56 | -67.2 | 0 | 0 | 0 | 111.4 | ||||
| 67 | T | 37 | Very low | 37.5 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -128.6 | 124.9 | -179.9 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 68 | L | 36.5 | Very low | 37.5 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | 42.6 | 104.2 | 152.2 | -70.1 | 159 | 0 | 0 | 0 | 119.1 | L70 | L68-L70 PolarHBondContact O-N 3.5Š| ||
| 69 | N | 40.2 | Very low | 37.1 | Very low | 166 Ų | 166 | 141 Ų | 141 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -68.7 | 126.1 | 162.2 | -81.2 | -7.7 | 0 | 0 | 0 | 111.7 | ||||
| 70 | L | 32.2 | Very low | 37 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -149.2 | 114 | 167.8 | -165.8 | 75.1 | 0 | 0 | 0 | 110.2 | L68 | L68-L70 PolarHBondContact O-N 3.5Š| ||
| 71 | Y | 39.3 | Very low | 36.8 | Very low | 228 Ų | 228 | 141.8 Ų | 141.8 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | trans | -148.6 | 129 | -179.3 | -95.4 | -71.8 | 0 | 0 | 0 | 113.1 | ||||
| 72 | P | 51.3 | Low | 37.1 | Very low | 113 Ų | 113 | 142 Ų | 142 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -142.5 | 180 | 134.4 | 38.8 | -25.2 | 0 | 0 | 0 | 112.1 | ||||
| 73 | P | 54.5 | Low | 37 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | cis | -133.2 | -165.2 | -41.8 | 38.1 | -20.9 | 0 | 0 | 0 | 112.8 | ||||
| 74 | A | 30.5 | Very low | 36.5 | Very low | 87 Ų | 87 | 142.1 Ų | 142.1 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | 79.9 | 151.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 75 | Q | 33.2 | Very low | 35.8 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | -162.6 | -173.4 | -12.3 | -118.2 | -179.9 | 15.7 | 0 | 0 | 111.6 | ||||
| 76 | T | 28.6 | Very low | 35.8 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | 78 | 128.6 | 174.3 | 65.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 77 | H | 32 | Very low | 35.8 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | 79.1 | 132.4 | 57 | -94.8 | -81.3 | 0 | 0 | 0 | 113.6 | |||||
| 78 | S | 35.8 | Very low | 35.6 | Very low | 84 Ų | 84 | 139.8 Ų | 139.8 | 59% | 0.587 | 79% | 0.794 | S | S | * | * | cis | -153.4 | 157.4 | 4 | -52.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 79 | E | 29.3 | Very low | 35.4 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | 61.7 | 144.8 | 133 | -82.5 | 176.8 | 83 | 0 | 0 | 128 | ||||
| 80 | Q | 32.3 | Very low | 35.2 | Very low | 173 Ų | 173 | 137 Ų | 137 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | 81 | 132.4 | 144.5 | -75.2 | 175.9 | 41.4 | 0 | 0 | 122.7 | ||||
| 81 | S | 33.7 | Very low | 35.2 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -93.6 | 168.9 | 172.4 | -40.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 82 | P | 40.3 | Very low | 35 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | -136.5 | 179.7 | 102.2 | 37.9 | -27.3 | 0 | 0 | 0 | 113.8 | |||||
| 83 | A | 35.1 | Very low | 34.1 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -108.5 | 169.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 84 | D | 31.4 | Very low | 33.2 | Very low | 161 Ų | 161 | 127.7 Ų | 127.7 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -146.4 | 168.9 | 154.6 | -139.7 | -29.6 | 0 | 0 | 0 | 112.5 | ||||
| 85 | T | 32.2 | Very low | 33.3 | Very low | 121 Ų | 121 | 129 Ų | 129 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -125.2 | 146.3 | -147.5 | -56.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 86 | S | 31.4 | Very low | 33.5 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -157.3 | 135.9 | 159.1 | -80.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 87 | A | 34.1 | Very low | 33.8 | Very low | 87 Ų | 87 | 128.1 Ų | 128.1 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | trans | -4.1 | 123.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 88 | Q | 33.4 | Very low | 34 | Very low | 182 Ų | 182 | 126.7 Ų | 126.7 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | 79.8 | 117.4 | 70.1 | -78.8 | -173.3 | -14.4 | 0 | 0 | 116.8 | |||||
| 89 | T | 32 | Very low | 34 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 91% | 0.908 | 79% | 0.793 | S | S | * | * | -161.4 | 168.7 | 129.4 | 6.1 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 90 | V | 36.3 | Very low | 34.4 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -140.7 | 162 | -150.7 | -147.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 91 | S | 31.8 | Very low | 34.8 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | 102.8 | 126.8 | 157.2 | -53.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 92 | G | 35.9 | Very low | 35.3 | Very low | 80 Ų | 80 | 124.4 Ų | 124.4 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | 168 | 30.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 93 | T | 33.1 | Very low | 35.5 | Very low | 141 Ų | 141 | 124.7 Ų | 124.7 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -69.6 | 153.6 | 169.1 | 29.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 94 | A | 34.9 | Very low | 35.7 | Very low | 82 Ų | 82 | 126.7 Ų | 126.7 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | cis | -170.2 | -172.7 | -15.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 95 | T | 32.3 | Very low | 36 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | cis | -164 | 159.3 | 8.1 | -19.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 96 | Q | 37.7 | Very low | 36.3 | Very low | 172 Ų | 172 | 123.9 Ų | 123.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 67.3 | 154 | 158.8 | -67.1 | 166.8 | 24.3 | 0 | 0 | 116.5 | ||||
| 97 | T | 35.1 | Very low | 36.9 | Very low | 110 Ų | 110 | 123.9 Ų | 123.9 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | cis | -153.6 | 163.5 | -1.8 | -1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 98 | D | 35.8 | Very low | 37.2 | Very low | 144 Ų | 144 | 128 Ų | 128 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | 59.2 | 121.1 | 152.1 | -62.7 | -51.5 | 0 | 0 | 0 | 123.9 | ||||
| 99 | D | 36.2 | Very low | 37.3 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | 42.1 | 106.4 | 129.6 | -145.4 | -82.4 | 0 | 0 | 0 | 121.8 | |||||
| 100 | A | 36.9 | Very low | 37.6 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -158.7 | 139.7 | 144.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 101 | A | 41.3 | Very low | 38.2 | Very low | 84 Ų | 84 | 126.5 Ų | 126.5 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 150.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T103 | A101-T103 PolarHBondContact O-N 2.86Š|
| 102 | P | 44.4 | Very low | 38.7 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 118.1 | 169.9 | 30.3 | -32.7 | 0 | 0 | 0 | 110.8 | ||
| 103 | T | 44.9 | Very low | 39.3 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 134.2 | 179.4 | -61.6 | 0 | 0 | 0 | 0 | 112.7 | A101 G105 | A101-T103 PolarHBondContact O-N 2.86Å; T103-G105 PolarHBondContact O-N 3.25Å |
| 104 | D | 38.1 | Very low | 39.7 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -32.1 | 114.4 | 168.3 | -159.3 | -30.3 | 0 | 0 | 0 | 114.8 | ||||
| 105 | G | 37.3 | Very low | 40.7 | Very low | 67 Ų | 67 | 129.6 Ų | 129.6 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | trans | -100.6 | 84.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T103 P107 | T103-G105 PolarHBondContact O-N 3.25Å; G105-P107 VanDerWaalsContact O-CD 3.27Å; G105-P107 WeakPolarHBondContact O-CD 3.42Å | ||
| 106 | Q | 39.7 | Very low | 41.6 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | -64.4 | 121.6 | 178 | -71.1 | -167.7 | -21.6 | 0 | 0 | 113.2 | Q108 | Q106-Q108 PolarHBondContact O-N 3.41Š| ||
| 107 | P | 43.4 | Very low | 42.2 | Very low | 122 Ų | 122 | 128 Ų | 128 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | trans | -79.8 | 114.3 | 161.8 | -4.4 | 24 | 0 | 0 | 0 | 108.7 | G105 T109 | G105-P107 VanDerWaalsContact O-CD 3.27Å; G105-P107 WeakPolarHBondContact O-CD 3.42Å; P107-T109 PolarHBondContact O-N 3.24Å | ||
| 108 | Q | 40.8 | Very low | 43.3 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | trans | -70.7 | 103.3 | 178.6 | -75.7 | -171.6 | -21.3 | 0 | 0 | 111.9 | Q106 | Q106-Q108 PolarHBondContact O-N 3.41Š| ||
| 109 | T | 36.4 | Very low | 45 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 80% | 0.798 | 73% | 0.734 | S | S | * | * | trans | 43.4 | 93.5 | 153.8 | 52.9 | 0 | 0 | 0 | 0 | 117 | P107 | P107-T109 PolarHBondContact O-N 3.24Š| ||
| 110 | Q | 37.8 | Very low | 47.5 | Very low | 172 Ų | 172 | 124.6 Ų | 124.6 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | trans | -57.2 | 144.7 | 157.2 | -60.6 | 169.3 | 0.8 | 0 | 0 | 110.6 | S112 | Q110-S112 PolarHBondContact O-N 2.77Å; Q110-S112 VanDerWaalsContact O-N 3.1Å | ||
| 111 | P | 47.7 | Very low | 50.1 | Low | 127 Ų | 127 | 123.6 Ų | 123.6 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | trans | -72.1 | 101.1 | 165.2 | 30.3 | -31.8 | 0 | 0 | 0 | 109.2 | E113 | P111-E113 PolarHBondContact O-N 2.72Å; P111-E113 VanDerWaalsContact O-N 3.14Å | ||
| 112 | S | 42.5 | Very low | 52.7 | Low | 106 Ų | 106 | 121.7 Ų | 121.7 | 74% | 0.741 | 68% | 0.678 | S | S | * | * | trans | -67.6 | 109.6 | -179.8 | -52.8 | 0 | 0 | 0 | 0 | 111.8 | Q110 N114 | Q110-S112 PolarHBondContact O-N 2.77Å; Q110-S112 VanDerWaalsContact O-N 3.1Å; S112-N114 VanDerWaalsContact C-N 3.28Å; S112-N114 PolarHBondContact O-N 3.08Å | ||
| 113 | E | 48.5 | Very low | 55.1 | Low | 180 Ų | 180 | 117.2 Ų | 117.2 | 84% | 0.841 | 64% | 0.644 | S | S | * | * | trans | -68.6 | 82.5 | 169.5 | -76.7 | -167.6 | 90.7 | 0 | 0 | 111.1 | P111 T115 | P111-E113 PolarHBondContact O-N 2.72Å; P111-E113 VanDerWaalsContact O-N 3.14Å; E113-T115 VanDerWaalsContact C-N 3.26Å; E113-T115 PolarHBondContact O-N 2.79Å; E113-T115 PolarHBondContact O-OG1 2.89Å | ||
| 114 | N | 42.4 | Very low | 57.6 | Low | 108 Ų | 108 | 110.7 Ų | 110.7 | 58% | 0.578 | 60% | 0.604 | S | S | * | * | trans | -79.2 | 78.5 | 169.9 | -171 | -30.8 | 0 | 0 | 0 | 109.7 | S112 E116 N117 | S112-N114 VanDerWaalsContact C-N 3.28Å; S112-N114 PolarHBondContact O-N 3.08Å; N114-E116 PolarHBondContact O-N 2.93Å; N114-N117 PolarHBondContact O-N 3.47Å; N114-N117 PolarHBondContact OD1-ND2 3.32Å; N114-N117 VanDerWaalsContact OD1-ND2 3.1Å | ||
| 115 | T | 54.6 | Low | 60.5 | Low | 97 Ų | 97 | 106.1 Ų | 106.1 | 60% | 0.595 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -8.8 | -172.9 | -62.2 | 0 | 0 | 0 | 0 | 114.7 | E113 K118 | E113-T115 VanDerWaalsContact C-N 3.26Å; E113-T115 PolarHBondContact O-N 2.79Å; E113-T115 PolarHBondContact O-OG1 2.89Å; T115-K118 VanDerWaalsContact O-CD 3.31Å; T115-K118 WeakPolarHBondContact O-CD 3.31Å; T115-K118 WeakPolarHBondContact O-CG 3.41Å |
| 116 | E | 51.9 | Low | 63.4 | Low | 182 Ų | 182 | 103 Ų | 103 | 85% | 0.85 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -0.9 | -175.5 | -152.4 | 161.8 | -160.8 | 0 | 0 | 114.1 | N114 | N114-E116 PolarHBondContact O-N 2.93Š|
| 117 | N | 50.6 | Low | 66.1 | Low | 71 Ų | 71 | 96.3 Ų | 96.3 | 38% | 0.38 | 52% | 0.517 | S | S | . | . | trans | -108.5 | 38.4 | -177 | -86 | -83.9 | 0 | 0 | 0 | 114.4 | N114 S119 Q120 | N114-N117 PolarHBondContact O-N 3.47Å; N114-N117 PolarHBondContact OD1-ND2 3.32Å; N114-N117 VanDerWaalsContact OD1-ND2 3.1Å; N117-S119 PolarHBondContact O-N 3.4Å; N117-Q120 HydrophobicContact CB-CG 4.03Å; N117-Q120 PolarHBondContact O-N 3.02Å; N117-Q120 PolarHBondContact OD1-NE2 2.89Å | ||
| 118 | K | 58.5 | Low | 68.7 | Low | 161 Ų | 161 | 93.4 Ų | 93.4 | 70% | 0.7 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 19.2 | -164.9 | -51.4 | -170 | 70.7 | 170.6 | 0 | 117.6 | T115 N170 | T115-K118 VanDerWaalsContact O-CD 3.31Å; T115-K118 WeakPolarHBondContact O-CD 3.31Å; T115-K118 WeakPolarHBondContact O-CG 3.41Å; K118-N170 PolarHBondContact O-OD1 2.88Å |
| 119 | S | 72 | Confident | 71.4 | Confident | 75 Ų | 75 | 85.1 Ų | 85.1 | 52% | 0.524 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -154 | 39.2 | 172 | -167.3 | 0 | 0 | 0 | 0 | 112.8 | N117 | N117-S119 PolarHBondContact O-N 3.4Š|
| 120 | Q | 87.3 | Confident | 74.3 | Confident | 105 Ų | 105 | 79.2 Ų | 79.2 | 49% | 0.491 | 42% | 0.42 | S | S | . | . | trans | -75.2 | 125.5 | 170.3 | -65.5 | -65.7 | -11 | 0 | 0 | 109.8 | N117 S171 | N117-Q120 HydrophobicContact CB-CG 4.03Å; N117-Q120 PolarHBondContact O-N 3.02Å; N117-Q120 PolarHBondContact OD1-NE2 2.89Å; Q120-S171 PolarHBondContact O-N 3.14Å | ||
| 121 | P | 92.3 | Very high | 77.1 | Confident | 75 Ų | 75 | 76.3 Ų | 76.3 | 49% | 0.487 | 41% | 0.405 | S | S | . | . | trans | -68.2 | 135.4 | -177.2 | 27.5 | -34.7 | 0 | 0 | 0 | 111.2 | L149 F168 E169 | P121-L149 HydrophobicContact CB-CD1 3.87Å; P121-F168 CarbonylContact C-O 3.5Å; P121-F168 WeakPolarHBondContact CA-O 3.39Å; P121-F168 VanDerWaalsContact CB-O 3.31Å; P121-F168 WeakPolarHBondContact CB-O 3.35Å; P121-E169 WeakPolarHBondContact CA-O 3.43Å | ||
| 122 | K | 95.4 | Very high | 79.4 | Confident | 45 Ų | 45 | 80.1 Ų | 80.1 | 20% | 0.196 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 127.8 | -171 | -176.8 | 160.5 | 169.6 | 174.7 | 0 | 111.7 | F168 A174 D175 | K122-F168 PolarHBondContact N-O 2.99Å; K122-F168 PolarHBondContact O-N 2.82Å; K122-A174 HydrophobicContact CB-CB 3.89Å; K122-A174 HydrophobicContact CD-CB 4Å; K122-A174 HydrophobicContact CG-CB 3.81Å; K122-D175 IonicContact NZ-OD1 3.1Å; K122-D175 PolarHBondContact NZ-OD1 2.99Å; K122-D175 IonicContact NZ-OD2 3.11Å; K122-D175 PolarHBondContact NZ-OD2 3.02Å |
| 123 | R | 95.9 | Very high | 82 | Confident | 36 Ų | 36 | 75.9 Ų | 75.9 | 14% | 0.136 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 127.1 | -180 | -163.3 | 177.7 | -138.3 | -131.8 | 3.7 | 110.9 | D150 E152 F165 V166 T167 A196 | R123-D150 IonicContact NH2-OD2 3.91Å; R123-D150 PolarHBondContact NH2-OD2 3.19Å; R123-D150 VanDerWaalsContact NH2-OD2 3.17Å; R123-E152 IonicContact CZ-OE2 3.37Å; R123-E152 IonicContact NH1-OE2 3.01Å; R123-E152 PolarHBondContact NH1-OE2 2.7Å; R123-E152 IonicContact NH2-OE2 2.78Å; R123-E152 PolarHBondContact NH2-OE2 3.35Å; R123-F165 HydrophobicContact CG-CB 4.17Å; R123-F165 VanDerWaalsContact NH1-CD2 3.28Å; R123-V166 WeakPolarHBondContact CA-O 3.28Å; R123-T167 PolarHBondContact NE-OG1 2.81Å; R123-A196 HydrophobicContact CB-CB 3.94Å; R123-A196 HydrophobicContact CG-CB 3.75Å; R123-A196 WeakPolarHBondContact O-CB 3.24Å; R123-A196 PolarHBondContact O-N 3.01Å |
| 124 | L | 97.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 150.2 | 169.9 | -57.4 | -179.8 | 0 | 0 | 0 | 109.9 | F142 F165 V166 F168 A174 A177 R178 V193 N194 | L124-F142 HydrophobicContact CD1-CD1 4.41Å; L124-F142 HydrophobicContact CD1-CE1 4.16Å; L124-F165 CarbonylContact O-C 3.59Å; L124-F165 WeakPolarHBondContact O-CA 3.38Å; L124-V166 PolarHBondContact N-O 2.86Å; L124-V166 PolarHBondContact O-N 2.66Å; L124-F168 HydrophobicContact CD1-CD2 4.19Å; L124-F168 HydrophobicContact CD1-CE2 3.77Å; L124-A174 HydrophobicContact CD1-CB 4.1Å; L124-A174 WeakPolarHBondContact CD1-O 3.4Å; L124-A174 HydrophobicContact CD2-CB 4.01Å; L124-A174 HydrophobicContact CG-CB 4.02Å; L124-A177 HydrophobicContact CD1-CB 4.29Å; L124-R178 HydrophobicContact CD1-CB 4.36Å; L124-R178 HydrophobicContact CD2-CB 4.35Å; L124-V193 HydrophobicContact CB-CG1 4.07Å; L124-V193 HydrophobicContact CD1-CG1 3.74Å; L124-V193 HydrophobicContact CG-CG1 4.34Å; L124-N194 CarbonylContact C-O 3.56Å; L124-N194 WeakPolarHBondContact CA-O 3.48Å |
| 125 | H | 98.1 | Very high | 86.9 | Confident | 42 Ų | 42 | 69.9 Ų | 69.9 | 19% | 0.194 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 133.1 | 165.7 | 169.1 | -101.6 | 0 | 0 | 0 | 108.3 | S127 F163 F165 V193 N194 A196 | H125-S127 PolarHBondContact CE1-OG 3.41Å; H125-F163 AromaticContact CD2-CD2 3.78Å; H125-F163 AromaticContact NE2-CD2 3.37Å; H125-F163 WeakPolarHBondContact NE2-CD2 3.35Å; H125-F163 AromaticContact NE2-CE2 4Å; H125-F163 AromaticContact NE2-CG 3.73Å; H125-F165 HydrophobicContact CB-CD1 3.96Å; H125-F165 HydrophobicContact CB-CE1 3.89Å; H125-F165 AromaticContact CD2-CE1 3.61Å; H125-F165 AromaticContact CD2-CZ 3.98Å; H125-V193 WeakPolarHBondContact O-CA 3.5Å; H125-N194 PolarHBondContact N-O 3.46Å; H125-N194 PolarHBondContact O-N 3.06Å; H125-A196 HydrophobicContact CB-CB 4.21Å |
| 126 | V | 97.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 104.4 | -175.7 | -169.7 | 0 | 0 | 0 | 0 | 108.7 | I129 L138 F142 F163 G164 V166 E192 V193 | V126-I129 HydrophobicContact CG1-CG2 3.61Å; V126-L138 HydrophobicContact CG1-CD2 4.48Å; V126-F142 HydrophobicContact CB-CZ 4.31Å; V126-F142 HydrophobicContact CG1-CE2 4.04Å; V126-F142 HydrophobicContact CG1-CZ 3.79Å; V126-F142 HydrophobicContact CG2-CE1 4.02Å; V126-F142 HydrophobicContact CG2-CE2 4.01Å; V126-F142 HydrophobicContact CG2-CZ 3.45Å; V126-F142 VanDerWaalsContact CG2-CZ 3.45Å; V126-F163 CarbonylContact O-C 3.52Å; V126-F163 WeakPolarHBondContact O-CA 3.46Å; V126-F163 VanDerWaalsContact O-CB 3.27Å; V126-F163 WeakPolarHBondContact O-CB 3.28Å; V126-G164 PolarHBondContact N-O 3.37Å; V126-G164 PolarHBondContact O-N 3.43Å; V126-V166 HydrophobicContact CG2-CG2 4.08Å; V126-E192 CarbonylContact C-O 3.6Å; V126-E192 WeakPolarHBondContact CA-O 3.27Å; V126-V193 HydrophobicContact CG1-CG2 4.37Å |
| 127 | S | 97.6 | Very high | 91 | Very high | 16 Ų | 16 | 63.1 Ų | 63.1 | 11% | 0.112 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 160.8 | -178.2 | 28 | 0 | 0 | 0 | 0 | 114 | H125 I129 I191 E192 | H125-S127 PolarHBondContact CE1-OG 3.41Å; S127-I129 VanDerWaalsContact C-N 3.26Å; S127-I129 PolarHBondContact O-N 3.47Å; S127-I191 WeakPolarHBondContact O-CA 3.4Å; S127-E192 PolarHBondContact N-O 3.01Å; S127-E192 PolarHBondContact O-N 2.9Å; S127-E192 WeakPolarHBondContact OG-CB 3.09Å; S127-E192 PolarHBondContact OG-OE2 2.75Å |
| 128 | N | 97.6 | Very high | 93.2 | Very high | 60 Ų | 60 | 59.7 Ų | 59.7 | 32% | 0.321 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 64.5 | 18.1 | 178.4 | -158.8 | 25.8 | 0 | 0 | 0 | 115.9 | G162 R189 K190 | N128-G162 CarbonylContact C-O 3.56Å; N128-G162 WeakPolarHBondContact CA-O 2.97Å; N128-G162 PolarHBondContact N-O 3.28Å; N128-R189 WeakPolarHBondContact O-CB 3.31Å; N128-R189 PolarHBondContact O-NE 3.37Å; N128-R189 PolarHBondContact OD1-NE 2.83Å; N128-R189 PolarHBondContact OD1-NH2 3.27Å; N128-K190 WeakPolarHBondContact CB-O 3.37Å; N128-K190 PolarHBondContact ND2-O 3.47Å |
| 129 | I | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -66.7 | 152.6 | 175.4 | 63.3 | 175.5 | 0 | 0 | 0 | 111.6 | V126 S127 F133 L138 G162 I191 | V126-I129 HydrophobicContact CG1-CG2 3.61Å; S127-I129 VanDerWaalsContact C-N 3.26Å; S127-I129 PolarHBondContact O-N 3.47Å; I129-F133 HydrophobicContact CB-CD1 4.39Å; I129-F133 HydrophobicContact CD1-CB 4.2Å; I129-L138 HydrophobicContact CD1-CD1 4.25Å; I129-L138 HydrophobicContact CD1-CD2 4.32Å; I129-L138 HydrophobicContact CG2-CD2 4.46Å; I129-G162 PolarHBondContact N-O 2.94Å; I129-G162 VanDerWaalsContact N-O 3.08Å; I129-G162 WeakPolarHBondContact O-CA 3.36Å; I129-I191 HydrophobicContact CG2-CG2 3.95Å | ||
| 130 | P | 96.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 60.1 Ų | 60.1 | 4% | 0.039 | 28% | 0.281 | C | S | . | . | trans | -60.8 | 142.4 | 177.3 | -21.8 | 33 | 0 | 0 | 0 | 112.7 | R132 F133 E187 | P130-R132 PolarHBondContact O-N 2.82Å; P130-F133 HydrophobicContact CB-CD2 3.86Å; P130-F133 HydrophobicContact CB-CE2 4.22Å; P130-F133 HydrophobicContact CG-CD2 3.82Å; P130-F133 HydrophobicContact CG-CE2 3.75Å; P130-F133 HydrophobicContact CG-CZ 4.44Å; P130-F133 WeakPolarHBondContact O-CB 3.47Å; P130-F133 PolarHBondContact O-N 3.25Å; P130-E187 HydrophobicContact CB-CB 4.48Å; P130-E187 WeakPolarHBondContact CB-OE2 3.21Å; P130-E187 HydrophobicContact CG-CB 3.76Å; P130-E187 HydrophobicContact CG-CG 3.93Å; P130-E187 WeakPolarHBondContact CG-OE2 3.43Å | ||
| 131 | F | 96.9 | Very high | 96.6 | Very high | 111 Ų | 111 | 56.6 Ų | 56.6 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -13.5 | -176.9 | -55.2 | -54 | 0 | 0 | 0 | 114.4 | R134 S160 | F131-R134 PolarHBondContact O-NH1 3.47Å; F131-S160 WeakPolarHBondContact CD1-O 3.44Å; F131-S160 VanDerWaalsContact O-CB 3.31Å; F131-S160 WeakPolarHBondContact O-CB 3.17Å |
| 132 | R | 96.2 | Very high | 96.8 | Very high | 207 Ų | 207 | 53 Ų | 53 | 78% | 0.781 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -24.2 | 175.7 | -65.9 | -71.2 | 162.8 | 169.5 | -4.8 | 113.3 | P130 R134 | P130-R132 PolarHBondContact O-N 2.82Å; R132-R134 PolarHBondContact O-NH1 2.82Å; R132-R134 VanDerWaalsContact O-NH1 3.11Å |
| 133 | F | 96.6 | Very high | 96.8 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 8% | 0.075 | 25% | 0.25 | C | S | . | . | trans | -57.8 | 143.1 | -176.8 | -89.5 | -135.7 | 0 | 0 | 0 | 113.4 | I129 P130 D137 L138 M141 I153 V186 E187 | I129-F133 HydrophobicContact CB-CD1 4.39Å; I129-F133 HydrophobicContact CD1-CB 4.2Å; P130-F133 HydrophobicContact CB-CD2 3.86Å; P130-F133 HydrophobicContact CB-CE2 4.22Å; P130-F133 HydrophobicContact CG-CD2 3.82Å; P130-F133 HydrophobicContact CG-CE2 3.75Å; P130-F133 HydrophobicContact CG-CZ 4.44Å; P130-F133 WeakPolarHBondContact O-CB 3.47Å; P130-F133 PolarHBondContact O-N 3.25Å; F133-D137 WeakPolarHBondContact CA-OD2 3.44Å; F133-D137 HydrophobicContact CB-CB 4.43Å; F133-D137 HydrophobicContact CD1-CB 3.74Å; F133-D137 HydrophobicContact CD2-CB 4.34Å; F133-D137 HydrophobicContact CE1-CB 3.92Å; F133-D137 HydrophobicContact CE2-CB 4.5Å; F133-D137 HydrophobicContact CG-CB 3.95Å; F133-D137 HydrophobicContact CZ-CB 4.28Å; F133-L138 HydrophobicContact CD1-CD2 4.05Å; F133-L138 HydrophobicContact CD1-CG 4.42Å; F133-M141 HydrophobicContact CE1-SD 3.77Å; F133-M141 HydrophobicContact CZ-SD 4.26Å; F133-I153 WeakPolarHBondContact O-CD1 3.44Å; F133-V186 HydrophobicContact CE1-CG1 4.08Å; F133-V186 HydrophobicContact CE2-CG1 4.14Å; F133-V186 HydrophobicContact CZ-CG1 3.41Å; F133-V186 VanDerWaalsContact CZ-CG1 3.41Å; F133-E187 HydrophobicContact CE2-CG 4.37Å | ||
| 134 | R | 97 | Very high | 96.8 | Very high | 100 Ų | 100 | 57.6 Ų | 57.6 | 38% | 0.377 | 28% | 0.275 | S | S | . | . | trans | -132.8 | -179.5 | 179.7 | -60.3 | -58.9 | 177.5 | -100.5 | 0.5 | 110.3 | F131 R132 P136 D137 L138 | F131-R134 PolarHBondContact O-NH1 3.47Å; R132-R134 PolarHBondContact O-NH1 2.82Å; R132-R134 VanDerWaalsContact O-NH1 3.11Å; R134-P136 HydrophobicContact CB-CG 4.31Å; R134-D137 PolarHBondContact N-OD2 3.47Å; R134-D137 PolarHBondContact O-N 3.15Å; R134-L138 PolarHBondContact O-N 3.33Å | ||
| 135 | D | 96.4 | Very high | 96.8 | Very high | 62 Ų | 62 | 59.3 Ų | 59.3 | 33% | 0.332 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -45.2 | -52 | 174.2 | 169.5 | -77.9 | 0 | 0 | 0 | 113.5 | D137 L138 R139 V151 | D135-D137 PolarHBondContact O-N 3.19Å; D135-L138 PolarHBondContact O-N 3.49Å; D135-R139 WeakPolarHBondContact O-CG 3.25Å; D135-R139 PolarHBondContact O-N 3.32Å; D135-R139 VanDerWaalsContact OD1-CD 3.3Å; D135-R139 WeakPolarHBondContact OD1-CD 3.33Å; D135-R139 IonicContact OD1-CZ 3.01Å; D135-R139 IonicContact OD1-NE 2.75Å; D135-R139 PolarHBondContact OD1-NE 3.23Å; D135-R139 IonicContact OD2-CZ 2.63Å; D135-R139 VanDerWaalsContact OD2-CZ 3.25Å; D135-R139 IonicContact OD2-NE 3.92Å; D135-R139 PolarHBondContact OD2-NE 3.29Å; D135-R139 IonicContact OD2-NH2 2.66Å; D135-R139 PolarHBondContact OD2-NH2 2.7Å; D135-V151 WeakPolarHBondContact OD2-CB 3.4Å |
| 136 | P | 97.3 | Very high | 96.7 | Very high | 79 Ų | 79 | 58.1 Ų | 58.1 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.1 | -38.4 | -178.2 | 21.5 | -34.6 | 0 | 0 | 0 | 113.8 | R134 L138 R139 Q140 | R134-P136 HydrophobicContact CB-CG 4.31Å; P136-L138 PolarHBondContact O-N 2.91Å; P136-R139 PolarHBondContact O-N 3.44Å; P136-Q140 WeakPolarHBondContact O-CB 3.2Å; P136-Q140 PolarHBondContact O-N 2.68Å |
| 137 | D | 96.5 | Very high | 96.6 | Very high | 57 Ų | 57 | 63.9 Ų | 63.9 | 31% | 0.305 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.2 | -41.9 | -178.5 | -46.5 | -61.9 | 0 | 0 | 0 | 111 | F133 R134 D135 Q140 M141 | F133-D137 WeakPolarHBondContact CA-OD2 3.44Å; F133-D137 HydrophobicContact CB-CB 4.43Å; F133-D137 HydrophobicContact CD1-CB 3.74Å; F133-D137 HydrophobicContact CD2-CB 4.34Å; F133-D137 HydrophobicContact CE1-CB 3.92Å; F133-D137 HydrophobicContact CE2-CB 4.5Å; F133-D137 HydrophobicContact CG-CB 3.95Å; F133-D137 HydrophobicContact CZ-CB 4.28Å; R134-D137 PolarHBondContact N-OD2 3.47Å; R134-D137 PolarHBondContact O-N 3.15Å; D135-D137 PolarHBondContact O-N 3.19Å; D137-Q140 PolarHBondContact O-N 3.45Å; D137-M141 PolarHBondContact O-N 3.45Å |
| 138 | L | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.6 | -39.1 | 173.1 | -69.3 | -178.8 | 0 | 0 | 0 | 111.7 | V126 I129 F133 R134 D135 P136 Q140 M141 F142 V151 I153 V166 | V126-L138 HydrophobicContact CG1-CD2 4.48Å; I129-L138 HydrophobicContact CD1-CD1 4.25Å; I129-L138 HydrophobicContact CD1-CD2 4.32Å; I129-L138 HydrophobicContact CG2-CD2 4.46Å; F133-L138 HydrophobicContact CD1-CD2 4.05Å; F133-L138 HydrophobicContact CD1-CG 4.42Å; R134-L138 PolarHBondContact O-N 3.33Å; D135-L138 PolarHBondContact O-N 3.49Å; P136-L138 PolarHBondContact O-N 2.91Å; L138-Q140 VanDerWaalsContact C-N 3.33Å; L138-Q140 PolarHBondContact O-N 2.92Å; L138-M141 PolarHBondContact O-N 3.38Å; L138-F142 HydrophobicContact CD2-CD2 4.3Å; L138-F142 HydrophobicContact CD2-CE2 3.99Å; L138-F142 WeakPolarHBondContact O-CB 3.3Å; L138-F142 WeakPolarHBondContact O-CD2 3.48Å; L138-F142 PolarHBondContact O-N 3.02Å; L138-V151 HydrophobicContact CB-CG1 3.92Å; L138-V151 HydrophobicContact CD1-CG1 3.63Å; L138-V151 HydrophobicContact CG-CG1 4.41Å; L138-I153 HydrophobicContact CD1-CD1 3.74Å; L138-I153 HydrophobicContact CD1-CG1 3.7Å; L138-I153 HydrophobicContact CG-CD1 4.4Å; L138-V166 HydrophobicContact CB-CG2 4.35Å; L138-V166 HydrophobicContact CD1-CG2 4.34Å |
| 139 | R | 96.8 | Very high | 96.5 | Very high | 87 Ų | 87 | 65.3 Ų | 65.3 | 33% | 0.328 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 174.2 | -74.3 | -174.1 | -167.5 | -86.5 | -11.9 | 112.2 | D135 P136 G143 I148 V151 | D135-R139 WeakPolarHBondContact O-CG 3.25Å; D135-R139 PolarHBondContact O-N 3.32Å; D135-R139 VanDerWaalsContact OD1-CD 3.3Å; D135-R139 WeakPolarHBondContact OD1-CD 3.33Å; D135-R139 IonicContact OD1-CZ 3.01Å; D135-R139 IonicContact OD1-NE 2.75Å; D135-R139 PolarHBondContact OD1-NE 3.23Å; D135-R139 IonicContact OD2-CZ 2.63Å; D135-R139 VanDerWaalsContact OD2-CZ 3.25Å; D135-R139 IonicContact OD2-NE 3.92Å; D135-R139 PolarHBondContact OD2-NE 3.29Å; D135-R139 IonicContact OD2-NH2 2.66Å; D135-R139 PolarHBondContact OD2-NH2 2.7Å; P136-R139 PolarHBondContact O-N 3.44Å; R139-G143 VanDerWaalsContact O-CA 3.25Å; R139-G143 WeakPolarHBondContact O-CA 3.49Å; R139-G143 PolarHBondContact O-N 3.23Å; R139-I148 HydrophobicContact CB-CD1 4.5Å; R139-I148 HydrophobicContact CG-CD1 4.36Å; R139-I148 PolarHBondContact NH1-O 2.72Å; R139-V151 HydrophobicContact CG-CG2 3.94Å |
| 140 | Q | 96.6 | Very high | 96.4 | Very high | 158 Ų | 158 | 68.5 Ų | 68.5 | 74% | 0.738 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.9 | -44.7 | 176.7 | -174.9 | 173.2 | -7.2 | 0 | 0 | 111.5 | P136 D137 L138 | P136-Q140 WeakPolarHBondContact O-CB 3.2Å; P136-Q140 PolarHBondContact O-N 2.68Å; D137-Q140 PolarHBondContact O-N 3.45Å; L138-Q140 VanDerWaalsContact C-N 3.33Å; L138-Q140 PolarHBondContact O-N 2.92Å |
| 141 | M | 95.1 | Very high | 96.4 | Very high | 31 Ų | 31 | 69 Ų | 69 | 15% | 0.153 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.6 | -44.4 | 177.5 | -82.7 | -165 | 62 | 0 | 0 | 113.8 | F133 D137 L138 Q144 L181 V186 I191 | F133-M141 HydrophobicContact CE1-SD 3.77Å; F133-M141 HydrophobicContact CZ-SD 4.26Å; D137-M141 PolarHBondContact O-N 3.45Å; L138-M141 PolarHBondContact O-N 3.38Å; M141-Q144 PolarHBondContact O-NE2 3.36Å; M141-L181 HydrophobicContact CE-CD1 4.13Å; M141-L181 HydrophobicContact CE-CD2 3.77Å; M141-L181 HydrophobicContact CE-CG 4.48Å; M141-V186 HydrophobicContact CE-CG2 3.77Å; M141-V186 HydrophobicContact SD-CG1 4.08Å; M141-V186 HydrophobicContact SD-CG2 3.99Å; M141-I191 HydrophobicContact CE-CD1 3.69Å |
| 142 | F | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -94.1 | -25.6 | -171.1 | -76.4 | -99.3 | 0 | 0 | 0 | 113.2 | L124 V126 L138 Q144 F145 I148 V166 F168 A177 L181 V193 | L124-F142 HydrophobicContact CD1-CD1 4.41Å; L124-F142 HydrophobicContact CD1-CE1 4.16Å; V126-F142 HydrophobicContact CB-CZ 4.31Å; V126-F142 HydrophobicContact CG1-CE2 4.04Å; V126-F142 HydrophobicContact CG1-CZ 3.79Å; V126-F142 HydrophobicContact CG2-CE1 4.02Å; V126-F142 HydrophobicContact CG2-CE2 4.01Å; V126-F142 HydrophobicContact CG2-CZ 3.45Å; V126-F142 VanDerWaalsContact CG2-CZ 3.45Å; L138-F142 HydrophobicContact CD2-CD2 4.3Å; L138-F142 HydrophobicContact CD2-CE2 3.99Å; L138-F142 WeakPolarHBondContact O-CB 3.3Å; L138-F142 WeakPolarHBondContact O-CD2 3.48Å; L138-F142 PolarHBondContact O-N 3.02Å; F142-Q144 VanDerWaalsContact C-N 3.25Å; F142-Q144 PolarHBondContact O-N 3.14Å; F142-F145 PolarHBondContact O-N 2.86Å; F142-F145 VanDerWaalsContact O-N 3.08Å; F142-I148 HydrophobicContact CB-CD1 3.68Å; F142-V166 HydrophobicContact CB-CG1 4.17Å; F142-V166 HydrophobicContact CD1-CG1 4.46Å; F142-V166 HydrophobicContact CD2-CG2 4.24Å; F142-V166 HydrophobicContact CG-CG1 4.34Å; F142-V166 HydrophobicContact CG-CG2 4.25Å; F142-F168 HydrophobicContact CB-CE2 4.39Å; F142-F168 HydrophobicContact CB-CZ 3.87Å; F142-F168 AromaticContact CD1-CE2 3.94Å; F142-F168 HydrophobicContact CD1-CE2 3.94Å; F142-F168 AromaticContact CD1-CZ 3.99Å; F142-F168 HydrophobicContact CD1-CZ 3.99Å; F142-F168 HydrophobicContact CG-CZ 4.44Å; F142-A177 HydrophobicContact CD1-CB 4.03Å; F142-A177 HydrophobicContact CE1-CB 4.49Å; F142-L181 HydrophobicContact CD1-CD1 3.68Å; F142-L181 HydrophobicContact CD2-CD1 3.85Å; F142-L181 HydrophobicContact CE1-CD1 3.54Å; F142-L181 HydrophobicContact CE2-CD1 3.7Å; F142-L181 HydrophobicContact CG-CD1 3.83Å; F142-L181 HydrophobicContact CZ-CB 4.47Å; F142-L181 HydrophobicContact CZ-CD1 3.54Å; F142-V193 HydrophobicContact CE1-CG1 4.07Å; F142-V193 HydrophobicContact CE1-CG2 4.14Å; F142-V193 HydrophobicContact CZ-CG1 4.43Å; F142-V193 HydrophobicContact CZ-CG2 3.83Å |
| 143 | G | 96.2 | Very high | 96.4 | Very high | 35 Ų | 35 | 56.9 Ų | 56.9 | 36% | 0.361 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.6 | -21.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R139 F145 G146 | R139-G143 VanDerWaalsContact O-CA 3.25Å; R139-G143 WeakPolarHBondContact O-CA 3.49Å; R139-G143 PolarHBondContact O-N 3.23Å; G143-F145 PolarHBondContact O-N 3.01Å; G143-G146 PolarHBondContact O-N 3.48Å |
| 144 | Q | 96.6 | Very high | 96.4 | Very high | 142 Ų | 142 | 58 Ų | 58 | 66% | 0.664 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.5 | 171.9 | 69.2 | -175.3 | -48.7 | 0 | 0 | 113.5 | M141 F142 | M141-Q144 PolarHBondContact O-NE2 3.36Å; F142-Q144 VanDerWaalsContact C-N 3.25Å; F142-Q144 PolarHBondContact O-N 3.14Å |
| 145 | F | 96.3 | Very high | 96.4 | Very high | 36 Ų | 36 | 58.3 Ų | 58.3 | 16% | 0.158 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -22 | -178.6 | -60.7 | -72.3 | 0 | 0 | 0 | 113.6 | F142 G143 F168 R176 A177 K180 L181 | F142-F145 PolarHBondContact O-N 2.86Å; F142-F145 VanDerWaalsContact O-N 3.08Å; G143-F145 PolarHBondContact O-N 3.01Å; F145-F168 HydrophobicContact CB-CE1 4.38Å; F145-R176 PolarHBondContact O-NH2 2.83Å; F145-A177 HydrophobicContact CB-CB 3.72Å; F145-A177 HydrophobicContact CD2-CB 3.67Å; F145-A177 HydrophobicContact CE2-CB 4.5Å; F145-A177 HydrophobicContact CG-CB 3.73Å; F145-K180 HydrophobicContact CE1-CB 3.65Å; F145-K180 HydrophobicContact CE1-CG 3.86Å; F145-K180 HydrophobicContact CZ-CB 3.67Å; F145-K180 HydrophobicContact CZ-CG 4.39Å; F145-L181 HydrophobicContact CD2-CD1 4.28Å; F145-L181 HydrophobicContact CE2-CD1 3.71Å; F145-L181 HydrophobicContact CE2-CD2 4.06Å; F145-L181 HydrophobicContact CE2-CG 3.7Å; F145-L181 HydrophobicContact CZ-CD2 4.35Å; F145-L181 HydrophobicContact CZ-CG 4.18Å |
| 146 | G | 95.6 | Very high | 96.4 | Very high | 16 Ų | 16 | 60.2 Ų | 60.2 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 165.3 | 173.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G143 I148 D173 | G143-G146 PolarHBondContact O-N 3.48Å; G146-I148 PolarHBondContact O-N 3.5Å; G146-D173 WeakPolarHBondContact CA-OD2 3.3Å |
| 147 | K | 96.8 | Very high | 96.3 | Very high | 121 Ų | 121 | 65.7 Ų | 65.7 | 53% | 0.526 | 33% | 0.326 | S | S | . | . | trans | -74 | 126 | -174.2 | 177 | 152.1 | 158.2 | -94 | 0 | 112.1 | F168 E169 | K147-F168 WeakPolarHBondContact O-CA 3.1Å; K147-E169 HydrophobicContact CB-CB 4.34Å; K147-E169 WeakPolarHBondContact CB-OE2 3.39Å; K147-E169 WeakPolarHBondContact CD-OE2 3.37Å; K147-E169 WeakPolarHBondContact CE-OE2 3.35Å; K147-E169 HydrophobicContact CG-CB 4.44Å; K147-E169 VanDerWaalsContact CG-OE2 3.3Å; K147-E169 WeakPolarHBondContact CG-OE2 3.45Å; K147-E169 IonicContact NZ-OE1 2.68Å; K147-E169 PolarHBondContact NZ-OE1 2.83Å; K147-E169 IonicContact NZ-OE2 2.7Å; K147-E169 PolarHBondContact NZ-OE2 3.11Å; K147-E169 PolarHBondContact O-N 3.21Å | ||
| 148 | I | 96.8 | Very high | 96.2 | Very high | 20 Ų | 20 | 74.8 Ų | 74.8 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 121.9 | 180 | -61.5 | 167.7 | 0 | 0 | 0 | 109.9 | R139 F142 G146 V151 V166 F168 | R139-I148 HydrophobicContact CB-CD1 4.5Å; R139-I148 HydrophobicContact CG-CD1 4.36Å; R139-I148 PolarHBondContact NH1-O 2.72Å; F142-I148 HydrophobicContact CB-CD1 3.68Å; G146-I148 PolarHBondContact O-N 3.5Å; I148-V151 HydrophobicContact CG2-CG2 3.53Å; I148-V166 HydrophobicContact CD1-CG1 3.96Å; I148-V166 HydrophobicContact CG1-CG1 3.94Å; I148-V166 HydrophobicContact CG2-CG1 3.89Å; I148-F168 HydrophobicContact CG1-CD1 4.32Å; I148-F168 HydrophobicContact CG1-CE1 4.1Å; I148-F168 HydrophobicContact CG1-CZ 4.37Å |
| 149 | L | 95.8 | Very high | 96.1 | Very high | 86 Ų | 86 | 76.1 Ų | 76.1 | 45% | 0.45 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -51.5 | 175.2 | -59.3 | 178.5 | 0 | 0 | 0 | 111.4 | P121 T167 E169 | P121-L149 HydrophobicContact CB-CD1 3.87Å; L149-T167 PolarHBondContact N-O 2.84Å; L149-E169 HydrophobicContact CD1-CB 4.28Å; L149-E169 HydrophobicContact CD2-CB 3.98Å; L149-E169 HydrophobicContact CD2-CG 4.34Å; L149-E169 HydrophobicContact CG-CB 4Å |
| 150 | D | 95.1 | Very high | 96.1 | Very high | 67 Ų | 67 | 72.6 Ų | 72.6 | 36% | 0.358 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 145.3 | -169.8 | 164.6 | 57.8 | 0 | 0 | 0 | 110.9 | R123 T167 | R123-D150 IonicContact NH2-OD2 3.91Å; R123-D150 PolarHBondContact NH2-OD2 3.19Å; R123-D150 VanDerWaalsContact NH2-OD2 3.17Å; D150-T167 PolarHBondContact N-O 3.41Å; D150-T167 PolarHBondContact O-N 2.8Å; D150-T167 PolarHBondContact OD2-OG1 2.82Å |
| 151 | V | 96.9 | Very high | 96.1 | Very high | 17 Ų | 17 | 71 Ų | 71 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 127.7 | 171.8 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | D135 L138 R139 I148 F165 V166 | D135-V151 WeakPolarHBondContact OD2-CB 3.4Å; L138-V151 HydrophobicContact CB-CG1 3.92Å; L138-V151 HydrophobicContact CD1-CG1 3.63Å; L138-V151 HydrophobicContact CG-CG1 4.41Å; R139-V151 HydrophobicContact CG-CG2 3.94Å; I148-V151 HydrophobicContact CG2-CG2 3.53Å; V151-F165 WeakPolarHBondContact CA-O 3.39Å; V151-V166 HydrophobicContact CG1-CG2 4.4Å; V151-V166 HydrophobicContact CG2-CG1 4.49Å |
| 152 | E | 96.5 | Very high | 96.2 | Very high | 44 Ų | 44 | 69.7 Ų | 69.7 | 21% | 0.206 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 120 | -179 | 175.7 | -179.2 | -125.7 | 0 | 0 | 109.8 | R123 I154 G164 F165 R199 | R123-E152 IonicContact CZ-OE2 3.37Å; R123-E152 IonicContact NH1-OE2 3.01Å; R123-E152 PolarHBondContact NH1-OE2 2.7Å; R123-E152 IonicContact NH2-OE2 2.78Å; R123-E152 PolarHBondContact NH2-OE2 3.35Å; E152-I154 HydrophobicContact CG-CD1 3.96Å; E152-G164 CarbonylContact O-C 3.37Å; E152-G164 WeakPolarHBondContact O-CA 3.07Å; E152-F165 PolarHBondContact N-O 2.63Å; E152-F165 PolarHBondContact O-N 3.17Å; E152-R199 IonicContact OE1-CZ 2.84Å; E152-R199 IonicContact OE1-NH1 3.8Å; E152-R199 PolarHBondContact OE1-NH1 3.41Å; E152-R199 IonicContact OE1-NH2 2.67Å; E152-R199 PolarHBondContact OE1-NH2 2.87Å; E152-R199 IonicContact OE2-CZ 2.8Å; E152-R199 IonicContact OE2-NE 3.5Å; E152-R199 IonicContact OE2-NH1 3.17Å; E152-R199 PolarHBondContact OE2-NH1 3.12Å; E152-R199 IonicContact OE2-NH2 3.09Å; E152-R199 PolarHBondContact OE2-NH2 3.3Å; E152-R199 VanDerWaalsContact OE2-NH2 3.09Å |
| 153 | I | 97 | Very high | 96.2 | Very high | 19 Ų | 19 | 71.7 Ų | 71.7 | 10% | 0.097 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.6 | 172.9 | -70.5 | 162.6 | 0 | 0 | 0 | 108.6 | F133 L138 F155 | F133-I153 WeakPolarHBondContact O-CD1 3.44Å; L138-I153 HydrophobicContact CD1-CD1 3.74Å; L138-I153 HydrophobicContact CD1-CG1 3.7Å; L138-I153 HydrophobicContact CG-CD1 4.4Å; I153-F155 HydrophobicContact CB-CE2 3.85Å; I153-F155 HydrophobicContact CB-CZ 4.28Å; I153-F155 HydrophobicContact CG2-CD2 4.27Å; I153-F155 HydrophobicContact CG2-CE1 4.48Å; I153-F155 HydrophobicContact CG2-CE2 3.66Å; I153-F155 HydrophobicContact CG2-CZ 3.76Å; I153-F155 WeakPolarHBondContact O-CD2 3.37Å; I153-F155 WeakPolarHBondContact O-CE2 3.49Å |
| 154 | I | 96.2 | Very high | 96.3 | Very high | 42 Ų | 42 | 70 Ų | 70 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 118.7 | -177.4 | -59.3 | -53.3 | 0 | 0 | 0 | 109.3 | E152 K161 F163 F165 | E152-I154 HydrophobicContact CG-CD1 3.96Å; I154-K161 HydrophobicContact CG2-CB 4.34Å; I154-K161 HydrophobicContact CG2-CD 4.16Å; I154-K161 WeakPolarHBondContact O-CB 3.48Å; I154-K161 PolarHBondContact O-N 3.5Å; I154-F163 HydrophobicContact CB-CD2 4.27Å; I154-F163 HydrophobicContact CB-CE2 3.8Å; I154-F163 HydrophobicContact CB-CZ 3.94Å; I154-F163 HydrophobicContact CG1-CD2 4.04Å; I154-F163 HydrophobicContact CG1-CE2 3.46Å; I154-F163 VanDerWaalsContact CG1-CE2 3.46Å; I154-F163 HydrophobicContact CG1-CZ 4.02Å; I154-F163 HydrophobicContact CG2-CE2 4.3Å; I154-F163 HydrophobicContact CG2-CZ 3.97Å; I154-F163 PolarHBondContact N-O 2.87Å; I154-F163 VanDerWaalsContact N-O 3.15Å; I154-F165 HydrophobicContact CD1-CD2 4.36Å; I154-F165 HydrophobicContact CD1-CE2 4.03Å; I154-F165 HydrophobicContact CG1-CD2 4.31Å; I154-F165 HydrophobicContact CG1-CE2 3.84Å |
| 155 | F | 96.4 | Very high | 96.3 | Very high | 105 Ų | 105 | 64.9 Ų | 64.9 | 46% | 0.461 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 153 | 174.5 | -65.6 | -92.4 | 0 | 0 | 0 | 110.7 | I153 G159 | I153-F155 HydrophobicContact CB-CE2 3.85Å; I153-F155 HydrophobicContact CB-CZ 4.28Å; I153-F155 HydrophobicContact CG2-CD2 4.27Å; I153-F155 HydrophobicContact CG2-CE1 4.48Å; I153-F155 HydrophobicContact CG2-CE2 3.66Å; I153-F155 HydrophobicContact CG2-CZ 3.76Å; I153-F155 WeakPolarHBondContact O-CD2 3.37Å; I153-F155 WeakPolarHBondContact O-CE2 3.49Å; F155-G159 WeakPolarHBondContact CA-O 3.22Å |
| 156 | N | 96.2 | Very high | 96.4 | Very high | 102 Ų | 102 | 63.1 Ų | 63.1 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 174.4 | 163.6 | -167.8 | 12 | 0 | 0 | 0 | 107.7 | R158 G159 | N156-R158 PolarHBondContact O-N 3.47Å; N156-G159 PolarHBondContact N-O 3.15Å; N156-G159 PolarHBondContact O-N 2.9Å; N156-G159 VanDerWaalsContact O-O 3.14Å |
| 157 | E | 95.1 | Very high | 96.4 | Very high | 194 Ų | 194 | 63.4 Ų | 63.4 | 91% | 0.907 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.9 | -179.8 | -61.4 | 174.5 | 161 | 0 | 0 | 113.6 | ||
| 158 | R | 94.9 | Very high | 96.4 | Very high | 248 Ų | 248 | 57.6 Ų | 57.6 | 94% | 0.936 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 2.8 | 177.8 | -61.3 | -172.9 | 177.8 | -145.2 | -1.6 | 114.9 | N156 | N156-R158 PolarHBondContact O-N 3.47Š|
| 159 | G | 95.3 | Very high | 96.3 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 113.2 | -159.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | F155 N156 K161 | F155-G159 WeakPolarHBondContact CA-O 3.22Å; N156-G159 PolarHBondContact N-O 3.15Å; N156-G159 PolarHBondContact O-N 2.9Å; N156-G159 VanDerWaalsContact O-O 3.14Å; G159-K161 PolarHBondContact O-N 3.16Å |
| 160 | S | 96.3 | Very high | 96.3 | Very high | 13 Ų | 13 | 57.2 Ų | 57.2 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 137 | -176.2 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | F131 G162 | F131-S160 WeakPolarHBondContact CD1-O 3.44Å; F131-S160 VanDerWaalsContact O-CB 3.31Å; F131-S160 WeakPolarHBondContact O-CB 3.17Å; S160-G162 PolarHBondContact O-N 3.02Å; S160-G162 PolarHBondContact OG-N 3.37Å |
| 161 | K | 97.1 | Very high | 96.3 | Very high | 123 Ų | 123 | 55.8 Ų | 55.8 | 54% | 0.535 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 3.7 | 176.7 | -160 | 172.5 | 169.1 | -163.8 | 0 | 112.8 | I154 G159 F163 | I154-K161 HydrophobicContact CG2-CB 4.34Å; I154-K161 HydrophobicContact CG2-CD 4.16Å; I154-K161 WeakPolarHBondContact O-CB 3.48Å; I154-K161 PolarHBondContact O-N 3.5Å; G159-K161 PolarHBondContact O-N 3.16Å; K161-F163 VanDerWaalsContact C-N 3.34Å; K161-F163 HydrophobicContact CB-CD1 4.19Å; K161-F163 HydrophobicContact CB-CE1 4.07Å; K161-F163 HydrophobicContact CD-CD1 4.36Å; K161-F163 HydrophobicContact CD-CE1 3.48Å; K161-F163 VanDerWaalsContact CD-CE1 3.48Å; K161-F163 HydrophobicContact CD-CZ 4.09Å; K161-F163 HydrophobicContact CG-CD1 4.11Å; K161-F163 HydrophobicContact CG-CE1 3.71Å |
| 162 | G | 96.6 | Very high | 96.3 | Very high | 5 Ų | 5 | 57.1 Ų | 57.1 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.4 | 20.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N128 I129 S160 | N128-G162 CarbonylContact C-O 3.56Å; N128-G162 WeakPolarHBondContact CA-O 2.97Å; N128-G162 PolarHBondContact N-O 3.28Å; I129-G162 PolarHBondContact N-O 2.94Å; I129-G162 VanDerWaalsContact N-O 3.08Å; I129-G162 WeakPolarHBondContact O-CA 3.36Å; S160-G162 PolarHBondContact O-N 3.02Å; S160-G162 PolarHBondContact OG-N 3.37Å |
| 163 | F | 97.5 | Very high | 96.3 | Very high | 41 Ų | 41 | 56.2 Ų | 56.2 | 18% | 0.18 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 161.6 | 169.6 | 73.2 | -95.9 | 0 | 0 | 0 | 112 | H125 V126 I154 K161 F165 | H125-F163 AromaticContact CD2-CD2 3.78Å; H125-F163 AromaticContact NE2-CD2 3.37Å; H125-F163 WeakPolarHBondContact NE2-CD2 3.35Å; H125-F163 AromaticContact NE2-CE2 4Å; H125-F163 AromaticContact NE2-CG 3.73Å; V126-F163 CarbonylContact O-C 3.52Å; V126-F163 WeakPolarHBondContact O-CA 3.46Å; V126-F163 VanDerWaalsContact O-CB 3.27Å; V126-F163 WeakPolarHBondContact O-CB 3.28Å; I154-F163 HydrophobicContact CB-CD2 4.27Å; I154-F163 HydrophobicContact CB-CE2 3.8Å; I154-F163 HydrophobicContact CB-CZ 3.94Å; I154-F163 HydrophobicContact CG1-CD2 4.04Å; I154-F163 HydrophobicContact CG1-CE2 3.46Å; I154-F163 VanDerWaalsContact CG1-CE2 3.46Å; I154-F163 HydrophobicContact CG1-CZ 4.02Å; I154-F163 HydrophobicContact CG2-CE2 4.3Å; I154-F163 HydrophobicContact CG2-CZ 3.97Å; I154-F163 PolarHBondContact N-O 2.87Å; I154-F163 VanDerWaalsContact N-O 3.15Å; K161-F163 VanDerWaalsContact C-N 3.34Å; K161-F163 HydrophobicContact CB-CD1 4.19Å; K161-F163 HydrophobicContact CB-CE1 4.07Å; K161-F163 HydrophobicContact CD-CD1 4.36Å; K161-F163 HydrophobicContact CD-CE1 3.48Å; K161-F163 VanDerWaalsContact CD-CE1 3.48Å; K161-F163 HydrophobicContact CD-CZ 4.09Å; K161-F163 HydrophobicContact CG-CD1 4.11Å; K161-F163 HydrophobicContact CG-CE1 3.71Å; F163-F165 HydrophobicContact CE2-CE2 4.15Å; F163-F165 HydrophobicContact CE2-CZ 4.25Å |
| 164 | G | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | -169.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V126 E152 | V126-G164 PolarHBondContact N-O 3.37Å; V126-G164 PolarHBondContact O-N 3.43Å; E152-G164 CarbonylContact O-C 3.37Å; E152-G164 WeakPolarHBondContact O-CA 3.07Å |
| 165 | F | 97.6 | Very high | 96.2 | Very high | 34 Ų | 34 | 55 Ų | 55 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 142.2 | 177.8 | -58 | -83.2 | 0 | 0 | 0 | 109.9 | R123 L124 H125 V151 E152 I154 F163 A196 | R123-F165 HydrophobicContact CG-CB 4.17Å; R123-F165 VanDerWaalsContact NH1-CD2 3.28Å; L124-F165 CarbonylContact O-C 3.59Å; L124-F165 WeakPolarHBondContact O-CA 3.38Å; H125-F165 HydrophobicContact CB-CD1 3.96Å; H125-F165 HydrophobicContact CB-CE1 3.89Å; H125-F165 AromaticContact CD2-CE1 3.61Å; H125-F165 AromaticContact CD2-CZ 3.98Å; V151-F165 WeakPolarHBondContact CA-O 3.39Å; E152-F165 PolarHBondContact N-O 2.63Å; E152-F165 PolarHBondContact O-N 3.17Å; I154-F165 HydrophobicContact CD1-CD2 4.36Å; I154-F165 HydrophobicContact CD1-CE2 4.03Å; I154-F165 HydrophobicContact CG1-CD2 4.31Å; I154-F165 HydrophobicContact CG1-CE2 3.84Å; F163-F165 HydrophobicContact CE2-CE2 4.15Å; F163-F165 HydrophobicContact CE2-CZ 4.25Å; F165-A196 HydrophobicContact CD1-CB 3.74Å; F165-A196 HydrophobicContact CE1-CB 4Å |
| 166 | V | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 124.3 | 175.5 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | R123 L124 V126 L138 F142 I148 V151 F168 | R123-V166 WeakPolarHBondContact CA-O 3.28Å; L124-V166 PolarHBondContact N-O 2.86Å; L124-V166 PolarHBondContact O-N 2.66Å; V126-V166 HydrophobicContact CG2-CG2 4.08Å; L138-V166 HydrophobicContact CB-CG2 4.35Å; L138-V166 HydrophobicContact CD1-CG2 4.34Å; F142-V166 HydrophobicContact CB-CG1 4.17Å; F142-V166 HydrophobicContact CD1-CG1 4.46Å; F142-V166 HydrophobicContact CD2-CG2 4.24Å; F142-V166 HydrophobicContact CG-CG1 4.34Å; F142-V166 HydrophobicContact CG-CG2 4.25Å; I148-V166 HydrophobicContact CD1-CG1 3.96Å; I148-V166 HydrophobicContact CG1-CG1 3.94Å; I148-V166 HydrophobicContact CG2-CG1 3.89Å; V151-V166 HydrophobicContact CG1-CG2 4.4Å; V151-V166 HydrophobicContact CG2-CG1 4.49Å; V166-F168 HydrophobicContact CG1-CD2 4.09Å; V166-F168 HydrophobicContact CG1-CE2 3.78Å; V166-F168 HydrophobicContact CG1-CZ 4.43Å |
| 167 | T | 96.2 | Very high | 96.3 | Very high | 21 Ų | 21 | 50.4 Ų | 50.4 | 13% | 0.129 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 108.8 | 179.4 | -48.3 | 0 | 0 | 0 | 0 | 109.3 | R123 L149 D150 | R123-T167 PolarHBondContact NE-OG1 2.81Å; L149-T167 PolarHBondContact N-O 2.84Å; D150-T167 PolarHBondContact N-O 3.41Å; D150-T167 PolarHBondContact O-N 2.8Å; D150-T167 PolarHBondContact OD2-OG1 2.82Å |
| 168 | F | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 153.6 | 172.7 | -75.9 | -95.1 | 0 | 0 | 0 | 111.5 | P121 K122 L124 F142 F145 K147 I148 V166 D173 A174 A177 | P121-F168 CarbonylContact C-O 3.5Å; P121-F168 WeakPolarHBondContact CA-O 3.39Å; P121-F168 VanDerWaalsContact CB-O 3.31Å; P121-F168 WeakPolarHBondContact CB-O 3.35Å; K122-F168 PolarHBondContact N-O 2.99Å; K122-F168 PolarHBondContact O-N 2.82Å; L124-F168 HydrophobicContact CD1-CD2 4.19Å; L124-F168 HydrophobicContact CD1-CE2 3.77Å; F142-F168 HydrophobicContact CB-CE2 4.39Å; F142-F168 HydrophobicContact CB-CZ 3.87Å; F142-F168 AromaticContact CD1-CE2 3.94Å; F142-F168 HydrophobicContact CD1-CE2 3.94Å; F142-F168 AromaticContact CD1-CZ 3.99Å; F142-F168 HydrophobicContact CD1-CZ 3.99Å; F142-F168 HydrophobicContact CG-CZ 4.44Å; F145-F168 HydrophobicContact CB-CE1 4.38Å; K147-F168 WeakPolarHBondContact O-CA 3.1Å; I148-F168 HydrophobicContact CG1-CD1 4.32Å; I148-F168 HydrophobicContact CG1-CE1 4.1Å; I148-F168 HydrophobicContact CG1-CZ 4.37Å; V166-F168 HydrophobicContact CG1-CD2 4.09Å; V166-F168 HydrophobicContact CG1-CE2 3.78Å; V166-F168 HydrophobicContact CG1-CZ 4.43Å; F168-D173 HydrophobicContact CD1-CB 4.02Å; F168-D173 HydrophobicContact CE1-CB 4.47Å; F168-A174 HydrophobicContact CB-CB 4.04Å; F168-A174 HydrophobicContact CD2-CB 3.64Å; F168-A174 HydrophobicContact CE2-CB 4.32Å; F168-A174 HydrophobicContact CG-CB 3.97Å; F168-A177 HydrophobicContact CE1-CB 4.45Å; F168-A177 HydrophobicContact CE2-CB 3.94Å; F168-A177 HydrophobicContact CZ-CB 3.57Å |
| 169 | E | 95.6 | Very high | 96.5 | Very high | 64 Ų | 64 | 38.3 Ų | 38.3 | 30% | 0.299 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -69.9 | -35.7 | 171.1 | -178.5 | 163.8 | -122.6 | 0 | 0 | 113 | P121 K147 L149 | P121-E169 WeakPolarHBondContact CA-O 3.43Å; K147-E169 HydrophobicContact CB-CB 4.34Å; K147-E169 WeakPolarHBondContact CB-OE2 3.39Å; K147-E169 WeakPolarHBondContact CD-OE2 3.37Å; K147-E169 WeakPolarHBondContact CE-OE2 3.35Å; K147-E169 HydrophobicContact CG-CB 4.44Å; K147-E169 VanDerWaalsContact CG-OE2 3.3Å; K147-E169 WeakPolarHBondContact CG-OE2 3.45Å; K147-E169 IonicContact NZ-OE1 2.68Å; K147-E169 PolarHBondContact NZ-OE1 2.83Å; K147-E169 IonicContact NZ-OE2 2.7Å; K147-E169 PolarHBondContact NZ-OE2 3.11Å; K147-E169 PolarHBondContact O-N 3.21Å; L149-E169 HydrophobicContact CD1-CB 4.28Å; L149-E169 HydrophobicContact CD2-CB 3.98Å; L149-E169 HydrophobicContact CD2-CG 4.34Å; L149-E169 HydrophobicContact CG-CB 4Å |
| 170 | N | 95.3 | Very high | 96.6 | Very high | 34 Ų | 34 | 44 Ų | 44 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -116.7 | 138.8 | -178.5 | -179.3 | 25.5 | 0 | 0 | 0 | 111.4 | K118 D173 A174 | K118-N170 PolarHBondContact O-OD1 2.88Å; N170-D173 HydrophobicContact CB-CB 4.26Å; N170-D173 PolarHBondContact ND2-OD1 2.89Å; N170-A174 PolarHBondContact O-N 3.27Å |
| 171 | S | 94.9 | Very high | 96.6 | Very high | 36 Ų | 36 | 44 Ų | 44 | 25% | 0.252 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.2 | -44.1 | -178.8 | 55.8 | 0 | 0 | 0 | 0 | 113 | Q120 D173 A174 D175 | Q120-S171 PolarHBondContact O-N 3.14Å; S171-D173 VanDerWaalsContact C-N 3.25Å; S171-D173 PolarHBondContact O-N 3.1Å; S171-A174 WeakPolarHBondContact O-CB 3.49Å; S171-A174 PolarHBondContact O-N 3.27Å; S171-D175 PolarHBondContact O-N 2.93Å |
| 172 | A | 95.8 | Very high | 96.6 | Very high | 45 Ų | 45 | 42.6 Ų | 42.6 | 37% | 0.372 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.5 | -30.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D175 R176 | A172-D175 PolarHBondContact O-N 2.86Å; A172-R176 WeakPolarHBondContact O-CG 3.46Å; A172-R176 PolarHBondContact O-N 3.31Å; A172-R176 VanDerWaalsContact O-N 3.15Å; A172-R176 PolarHBondContact O-NH1 3Å |
| 173 | D | 96.3 | Very high | 96.6 | Very high | 25 Ų | 25 | 43.4 Ų | 43.4 | 13% | 0.134 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.2 | -39.1 | 177.2 | -62.8 | 2 | 0 | 0 | 0 | 111.2 | G146 F168 N170 S171 R176 A177 | G146-D173 WeakPolarHBondContact CA-OD2 3.3Å; F168-D173 HydrophobicContact CD1-CB 4.02Å; F168-D173 HydrophobicContact CE1-CB 4.47Å; N170-D173 HydrophobicContact CB-CB 4.26Å; N170-D173 PolarHBondContact ND2-OD1 2.89Å; S171-D173 VanDerWaalsContact C-N 3.25Å; S171-D173 PolarHBondContact O-N 3.1Å; D173-R176 PolarHBondContact O-N 3.08Å; D173-R176 IonicContact OD1-CZ 3.19Å; D173-R176 IonicContact OD1-NH1 2.79Å; D173-R176 PolarHBondContact OD1-NH1 3.35Å; D173-R176 IonicContact OD1-NH2 2.72Å; D173-R176 PolarHBondContact OD1-NH2 2.88Å; D173-R176 IonicContact OD2-NH2 3.96Å; D173-A177 WeakPolarHBondContact O-CB 3.47Å; D173-A177 PolarHBondContact O-N 2.81Å |
| 174 | A | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K122 L124 F168 N170 S171 A177 R178 | K122-A174 HydrophobicContact CB-CB 3.89Å; K122-A174 HydrophobicContact CD-CB 4Å; K122-A174 HydrophobicContact CG-CB 3.81Å; L124-A174 HydrophobicContact CD1-CB 4.1Å; L124-A174 WeakPolarHBondContact CD1-O 3.4Å; L124-A174 HydrophobicContact CD2-CB 4.01Å; L124-A174 HydrophobicContact CG-CB 4.02Å; F168-A174 HydrophobicContact CB-CB 4.04Å; F168-A174 HydrophobicContact CD2-CB 3.64Å; F168-A174 HydrophobicContact CE2-CB 4.32Å; F168-A174 HydrophobicContact CG-CB 3.97Å; N170-A174 PolarHBondContact O-N 3.27Å; S171-A174 WeakPolarHBondContact O-CB 3.49Å; S171-A174 PolarHBondContact O-N 3.27Å; A174-A177 PolarHBondContact O-N 3.11Å; A174-R178 VanDerWaalsContact O-CB 3.28Å; A174-R178 WeakPolarHBondContact O-CB 3.46Å; A174-R178 PolarHBondContact O-N 2.87Å |
| 175 | D | 96.3 | Very high | 96.6 | Very high | 35 Ų | 35 | 48.6 Ų | 48.6 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.1 | -44.2 | 175 | -70.6 | -58.4 | 0 | 0 | 0 | 111.7 | K122 S171 A172 A177 R178 E179 | K122-D175 IonicContact NZ-OD1 3.1Å; K122-D175 PolarHBondContact NZ-OD1 2.99Å; K122-D175 IonicContact NZ-OD2 3.11Å; K122-D175 PolarHBondContact NZ-OD2 3.02Å; S171-D175 PolarHBondContact O-N 2.93Å; A172-D175 PolarHBondContact O-N 2.86Å; D175-A177 VanDerWaalsContact C-N 3.34Å; D175-A177 PolarHBondContact O-N 2.93Å; D175-R178 WeakPolarHBondContact O-CB 3.31Å; D175-R178 PolarHBondContact O-N 2.78Å; D175-R178 IonicContact OD1-CZ 3.11Å; D175-R178 IonicContact OD1-NE 3.76Å; D175-R178 IonicContact OD1-NH1 3.16Å; D175-R178 PolarHBondContact OD1-NH1 2.9Å; D175-R178 VanDerWaalsContact OD1-NH1 3.16Å; D175-R178 IonicContact OD1-NH2 3.15Å; D175-R178 PolarHBondContact OD1-NH2 2.95Å; D175-R178 VanDerWaalsContact OD1-NH2 3.15Å; D175-E179 WeakPolarHBondContact O-CB 3.46Å; D175-E179 WeakPolarHBondContact O-CG 3.18Å; D175-E179 PolarHBondContact O-N 2.74Å |
| 176 | R | 97.2 | Very high | 96.5 | Very high | 112 Ų | 112 | 48 Ų | 48 | 42% | 0.423 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.2 | -45 | 172.7 | -66.8 | -167.6 | -48.1 | -83.9 | 7.2 | 111.8 | F145 A172 D173 E179 K180 | F145-R176 PolarHBondContact O-NH2 2.83Å; A172-R176 WeakPolarHBondContact O-CG 3.46Å; A172-R176 PolarHBondContact O-N 3.31Å; A172-R176 VanDerWaalsContact O-N 3.15Å; A172-R176 PolarHBondContact O-NH1 3Å; D173-R176 PolarHBondContact O-N 3.08Å; D173-R176 IonicContact OD1-CZ 3.19Å; D173-R176 IonicContact OD1-NH1 2.79Å; D173-R176 PolarHBondContact OD1-NH1 3.35Å; D173-R176 IonicContact OD1-NH2 2.72Å; D173-R176 PolarHBondContact OD1-NH2 2.88Å; D173-R176 IonicContact OD2-NH2 3.96Å; R176-E179 PolarHBondContact O-N 2.82Å; R176-K180 WeakPolarHBondContact O-CB 3.32Å; R176-K180 WeakPolarHBondContact O-CG 3.37Å; R176-K180 PolarHBondContact O-N 2.8Å |
| 177 | A | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L124 F142 F145 F168 D173 A174 D175 K180 L181 | L124-A177 HydrophobicContact CD1-CB 4.29Å; F142-A177 HydrophobicContact CD1-CB 4.03Å; F142-A177 HydrophobicContact CE1-CB 4.49Å; F145-A177 HydrophobicContact CB-CB 3.72Å; F145-A177 HydrophobicContact CD2-CB 3.67Å; F145-A177 HydrophobicContact CE2-CB 4.5Å; F145-A177 HydrophobicContact CG-CB 3.73Å; F168-A177 HydrophobicContact CE1-CB 4.45Å; F168-A177 HydrophobicContact CE2-CB 3.94Å; F168-A177 HydrophobicContact CZ-CB 3.57Å; D173-A177 WeakPolarHBondContact O-CB 3.47Å; D173-A177 PolarHBondContact O-N 2.81Å; A174-A177 PolarHBondContact O-N 3.11Å; D175-A177 VanDerWaalsContact C-N 3.34Å; D175-A177 PolarHBondContact O-N 2.93Å; A177-K180 PolarHBondContact O-N 2.98Å; A177-L181 VanDerWaalsContact O-CB 3.28Å; A177-L181 WeakPolarHBondContact O-CB 3.41Å; A177-L181 PolarHBondContact O-N 2.96Å |
| 178 | R | 97.5 | Very high | 96.3 | Very high | 66 Ų | 66 | 57.2 Ų | 57.2 | 25% | 0.249 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.5 | -52 | 174.8 | 177 | -165 | 66.7 | -177.7 | 0.1 | 111.2 | L124 A174 D175 K180 L181 H182 V193 N195 | L124-R178 HydrophobicContact CD1-CB 4.36Å; L124-R178 HydrophobicContact CD2-CB 4.35Å; A174-R178 VanDerWaalsContact O-CB 3.28Å; A174-R178 WeakPolarHBondContact O-CB 3.46Å; A174-R178 PolarHBondContact O-N 2.87Å; D175-R178 WeakPolarHBondContact O-CB 3.31Å; D175-R178 PolarHBondContact O-N 2.78Å; D175-R178 IonicContact OD1-CZ 3.11Å; D175-R178 IonicContact OD1-NE 3.76Å; D175-R178 IonicContact OD1-NH1 3.16Å; D175-R178 PolarHBondContact OD1-NH1 2.9Å; D175-R178 VanDerWaalsContact OD1-NH1 3.16Å; D175-R178 IonicContact OD1-NH2 3.15Å; D175-R178 PolarHBondContact OD1-NH2 2.95Å; D175-R178 VanDerWaalsContact OD1-NH2 3.15Å; R178-K180 VanDerWaalsContact C-N 3.3Å; R178-K180 PolarHBondContact O-N 3.44Å; R178-L181 PolarHBondContact O-N 3.1Å; R178-H182 WeakPolarHBondContact O-CB 3.5Å; R178-H182 PolarHBondContact O-N 3.03Å; R178-V193 HydrophobicContact CB-CB 4.49Å; R178-V193 HydrophobicContact CB-CG1 3.97Å; R178-V193 HydrophobicContact CG-CB 4.31Å; R178-V193 HydrophobicContact CG-CG1 4.12Å; R178-N195 PolarHBondContact NH1-OD1 3.02Å |
| 179 | E | 96.6 | Very high | 96.3 | Very high | 121 Ų | 121 | 61 Ų | 61 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.8 | -26.7 | -176.2 | -75.2 | 152.8 | -148.3 | 0 | 0 | 113.8 | D175 R176 | D175-E179 WeakPolarHBondContact O-CB 3.46Å; D175-E179 WeakPolarHBondContact O-CG 3.18Å; D175-E179 PolarHBondContact O-N 2.74Å; R176-E179 PolarHBondContact O-N 2.82Å |
| 180 | K | 96.8 | Very high | 96.4 | Very high | 149 Ų | 149 | 64.1 Ų | 64.1 | 65% | 0.648 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -91.1 | -27.6 | 177.4 | -65.3 | -59.6 | -175.1 | -174.5 | 0 | 114.3 | F145 R176 A177 R178 T184 | F145-K180 HydrophobicContact CE1-CB 3.65Å; F145-K180 HydrophobicContact CE1-CG 3.86Å; F145-K180 HydrophobicContact CZ-CB 3.67Å; F145-K180 HydrophobicContact CZ-CG 4.39Å; R176-K180 WeakPolarHBondContact O-CB 3.32Å; R176-K180 WeakPolarHBondContact O-CG 3.37Å; R176-K180 PolarHBondContact O-N 2.8Å; A177-K180 PolarHBondContact O-N 2.98Å; R178-K180 VanDerWaalsContact C-N 3.3Å; R178-K180 PolarHBondContact O-N 3.44Å; K180-T184 VanDerWaalsContact O-CG2 3.24Å; K180-T184 WeakPolarHBondContact O-CG2 3.37Å |
| 181 | L | 96.8 | Very high | 96.5 | Very high | 13 Ų | 13 | 62.5 Ų | 62.5 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -102.5 | -23 | -177.6 | -65.4 | -179.8 | 0 | 0 | 0 | 114.3 | M141 F142 F145 A177 R178 G183 T184 I191 V193 | M141-L181 HydrophobicContact CE-CD1 4.13Å; M141-L181 HydrophobicContact CE-CD2 3.77Å; M141-L181 HydrophobicContact CE-CG 4.48Å; F142-L181 HydrophobicContact CD1-CD1 3.68Å; F142-L181 HydrophobicContact CD2-CD1 3.85Å; F142-L181 HydrophobicContact CE1-CD1 3.54Å; F142-L181 HydrophobicContact CE2-CD1 3.7Å; F142-L181 HydrophobicContact CG-CD1 3.83Å; F142-L181 HydrophobicContact CZ-CB 4.47Å; F142-L181 HydrophobicContact CZ-CD1 3.54Å; F145-L181 HydrophobicContact CD2-CD1 4.28Å; F145-L181 HydrophobicContact CE2-CD1 3.71Å; F145-L181 HydrophobicContact CE2-CD2 4.06Å; F145-L181 HydrophobicContact CE2-CG 3.7Å; F145-L181 HydrophobicContact CZ-CD2 4.35Å; F145-L181 HydrophobicContact CZ-CG 4.18Å; A177-L181 VanDerWaalsContact O-CB 3.28Å; A177-L181 WeakPolarHBondContact O-CB 3.41Å; A177-L181 PolarHBondContact O-N 2.96Å; R178-L181 PolarHBondContact O-N 3.1Å; L181-G183 PolarHBondContact O-N 3.24Å; L181-T184 WeakPolarHBondContact O-CB 3.39Å; L181-T184 PolarHBondContact O-N 3.47Å; L181-T184 VanDerWaalsContact O-N 3.11Å; L181-T184 PolarHBondContact O-OG1 2.74Å; L181-I191 HydrophobicContact CB-CD1 4.31Å; L181-V193 HydrophobicContact CB-CG2 3.87Å |
| 182 | H | 97.6 | Very high | 96.6 | Very high | 93 Ų | 93 | 64.9 Ų | 64.9 | 43% | 0.431 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 122.3 | 176.5 | -177.4 | 110.1 | 0 | 0 | 0 | 110.5 | R178 T184 V193 | R178-H182 WeakPolarHBondContact O-CB 3.5Å; R178-H182 PolarHBondContact O-N 3.03Å; H182-T184 VanDerWaalsContact C-N 3.32Å; H182-T184 PolarHBondContact O-N 3.34Å; H182-V193 HydrophobicContact CB-CB 4.18Å; H182-V193 PolarHBondContact ND1-N 2.78Å; H182-V193 PolarHBondContact ND1-O 3.17Å |
| 183 | G | 96.6 | Very high | 96.7 | Very high | 23 Ų | 23 | 62.8 Ų | 62.8 | 24% | 0.237 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 5.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L181 K190 I191 | L181-G183 PolarHBondContact O-N 3.24Å; G183-K190 WeakPolarHBondContact O-CE 3.45Å; G183-K190 WeakPolarHBondContact O-CG 3.15Å; G183-I191 VanDerWaalsContact CA-O 3.22Å; G183-I191 WeakPolarHBondContact CA-O 3.27Å; G183-I191 PolarHBondContact N-O 3.35Å |
| 184 | T | 96.9 | Very high | 96.8 | Very high | 47 Ų | 47 | 65 Ų | 65 | 29% | 0.288 | 33% | 0.329 | S | S | . | . | trans | -70.8 | 157.3 | 170.1 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | K180 L181 H182 K190 I191 | K180-T184 VanDerWaalsContact O-CG2 3.24Å; K180-T184 WeakPolarHBondContact O-CG2 3.37Å; L181-T184 WeakPolarHBondContact O-CB 3.39Å; L181-T184 PolarHBondContact O-N 3.47Å; L181-T184 VanDerWaalsContact O-N 3.11Å; L181-T184 PolarHBondContact O-OG1 2.74Å; H182-T184 VanDerWaalsContact C-N 3.32Å; H182-T184 PolarHBondContact O-N 3.34Å; T184-K190 CarbonylContact O-C 3.5Å; T184-K190 WeakPolarHBondContact O-CA 3.17Å; T184-I191 WeakPolarHBondContact O-CG1 3.43Å; T184-I191 PolarHBondContact O-N 3.5Å; T184-I191 WeakPolarHBondContact OG1-CG1 3.17Å | ||
| 185 | V | 96.9 | Very high | 96.8 | Very high | 102 Ų | 102 | 69.1 Ų | 69.1 | 62% | 0.618 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 123.8 | -179.2 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | R189 K190 | V185-R189 CarbonylContact C-O 3.58Å; V185-R189 WeakPolarHBondContact CA-O 3.21Å; V185-K190 HydrophobicContact CG2-CB 4.42Å |
| 186 | V | 95.2 | Very high | 96.7 | Very high | 23 Ų | 23 | 68.3 Ų | 68.3 | 14% | 0.139 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 122 | -175.1 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | F133 M141 G188 R189 I191 | F133-V186 HydrophobicContact CE1-CG1 4.08Å; F133-V186 HydrophobicContact CE2-CG1 4.14Å; F133-V186 HydrophobicContact CZ-CG1 3.41Å; F133-V186 VanDerWaalsContact CZ-CG1 3.41Å; M141-V186 HydrophobicContact CE-CG2 3.77Å; M141-V186 HydrophobicContact SD-CG1 4.08Å; M141-V186 HydrophobicContact SD-CG2 3.99Å; V186-G188 PolarHBondContact O-N 3.35Å; V186-G188 VanDerWaalsContact O-N 3.14Å; V186-R189 PolarHBondContact N-O 3.15Å; V186-R189 WeakPolarHBondContact O-CB 3.33Å; V186-R189 PolarHBondContact O-N 2.97Å; V186-I191 HydrophobicContact CB-CG2 3.97Å; V186-I191 HydrophobicContact CG2-CD1 4.11Å; V186-I191 HydrophobicContact CG2-CG1 4.08Å; V186-I191 HydrophobicContact CG2-CG2 3.89Å |
| 187 | E | 94.3 | Very high | 96.3 | Very high | 141 Ų | 141 | 69.2 Ų | 69.2 | 66% | 0.659 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 38.5 | -170.8 | -54.6 | -169.7 | 151.1 | 0 | 0 | 113.3 | P130 F133 R189 | P130-E187 HydrophobicContact CB-CB 4.48Å; P130-E187 WeakPolarHBondContact CB-OE2 3.21Å; P130-E187 HydrophobicContact CG-CB 3.76Å; P130-E187 HydrophobicContact CG-CG 3.93Å; P130-E187 WeakPolarHBondContact CG-OE2 3.43Å; F133-E187 HydrophobicContact CE2-CG 4.37Å; E187-R189 VanDerWaalsContact C-N 3.27Å; E187-R189 PolarHBondContact O-N 2.79Å |
| 188 | G | 95.8 | Very high | 95.4 | Very high | 72 Ų | 72 | 73 Ų | 73 | 74% | 0.742 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 0.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | V186 | V186-G188 PolarHBondContact O-N 3.35Å; V186-G188 VanDerWaalsContact O-N 3.14Å |
| 189 | R | 96.8 | Very high | 94.4 | Very high | 79 Ų | 79 | 76.3 Ų | 76.3 | 30% | 0.298 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 128.2 | 177.1 | -53.3 | -178.8 | 70.8 | 109.3 | 2.3 | 110.7 | N128 V185 V186 E187 I191 | N128-R189 WeakPolarHBondContact O-CB 3.31Å; N128-R189 PolarHBondContact O-NE 3.37Å; N128-R189 PolarHBondContact OD1-NE 2.83Å; N128-R189 PolarHBondContact OD1-NH2 3.27Å; V185-R189 CarbonylContact C-O 3.58Å; V185-R189 WeakPolarHBondContact CA-O 3.21Å; V186-R189 PolarHBondContact N-O 3.15Å; V186-R189 WeakPolarHBondContact O-CB 3.33Å; V186-R189 PolarHBondContact O-N 2.97Å; E187-R189 VanDerWaalsContact C-N 3.27Å; E187-R189 PolarHBondContact O-N 2.79Å; R189-I191 PolarHBondContact O-N 3.2Å |
| 190 | K | 97.6 | Very high | 93.2 | Very high | 130 Ų | 130 | 77.3 Ų | 77.3 | 57% | 0.565 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 106.4 | 171.4 | -173.8 | 178 | -179.3 | -178.2 | 0 | 109.5 | N128 G183 T184 V185 | N128-K190 WeakPolarHBondContact CB-O 3.37Å; N128-K190 PolarHBondContact ND2-O 3.47Å; G183-K190 WeakPolarHBondContact O-CE 3.45Å; G183-K190 WeakPolarHBondContact O-CG 3.15Å; T184-K190 CarbonylContact O-C 3.5Å; T184-K190 WeakPolarHBondContact O-CA 3.17Å; V185-K190 HydrophobicContact CG2-CB 4.42Å |
| 191 | I | 97.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.005 | 43% | 0.433 | C | S | . | . | trans | -78.6 | 156.3 | 178.7 | 67 | 156.1 | 0 | 0 | 0 | 111.1 | S127 I129 M141 L181 G183 T184 V186 R189 V193 | S127-I191 WeakPolarHBondContact O-CA 3.4Å; I129-I191 HydrophobicContact CG2-CG2 3.95Å; M141-I191 HydrophobicContact CE-CD1 3.69Å; L181-I191 HydrophobicContact CB-CD1 4.31Å; G183-I191 VanDerWaalsContact CA-O 3.22Å; G183-I191 WeakPolarHBondContact CA-O 3.27Å; G183-I191 PolarHBondContact N-O 3.35Å; T184-I191 WeakPolarHBondContact O-CG1 3.43Å; T184-I191 PolarHBondContact O-N 3.5Å; T184-I191 WeakPolarHBondContact OG1-CG1 3.17Å; V186-I191 HydrophobicContact CB-CG2 3.97Å; V186-I191 HydrophobicContact CG2-CD1 4.11Å; V186-I191 HydrophobicContact CG2-CG1 4.08Å; V186-I191 HydrophobicContact CG2-CG2 3.89Å; R189-I191 PolarHBondContact O-N 3.2Å; I191-V193 HydrophobicContact CD1-CG2 4.43Å | ||
| 192 | E | 97.6 | Very high | 89.9 | Confident | 86 Ų | 86 | 83.1 Ų | 83.1 | 40% | 0.402 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.9 | 178.3 | -65.8 | 169.6 | 162.3 | 0 | 0 | 109 | V126 S127 | V126-E192 CarbonylContact C-O 3.6Å; V126-E192 WeakPolarHBondContact CA-O 3.27Å; S127-E192 PolarHBondContact N-O 3.01Å; S127-E192 PolarHBondContact O-N 2.9Å; S127-E192 WeakPolarHBondContact OG-CB 3.09Å; S127-E192 PolarHBondContact OG-OE2 2.75Å |
| 193 | V | 97.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 123.8 | 175.1 | -169.8 | 0 | 0 | 0 | 0 | 109 | L124 H125 V126 F142 R178 L181 H182 I191 | L124-V193 HydrophobicContact CB-CG1 4.07Å; L124-V193 HydrophobicContact CD1-CG1 3.74Å; L124-V193 HydrophobicContact CG-CG1 4.34Å; H125-V193 WeakPolarHBondContact O-CA 3.5Å; V126-V193 HydrophobicContact CG1-CG2 4.37Å; F142-V193 HydrophobicContact CE1-CG1 4.07Å; F142-V193 HydrophobicContact CE1-CG2 4.14Å; F142-V193 HydrophobicContact CZ-CG1 4.43Å; F142-V193 HydrophobicContact CZ-CG2 3.83Å; R178-V193 HydrophobicContact CB-CB 4.49Å; R178-V193 HydrophobicContact CB-CG1 3.97Å; R178-V193 HydrophobicContact CG-CB 4.31Å; R178-V193 HydrophobicContact CG-CG1 4.12Å; L181-V193 HydrophobicContact CB-CG2 3.87Å; H182-V193 HydrophobicContact CB-CB 4.18Å; H182-V193 PolarHBondContact ND1-N 2.78Å; H182-V193 PolarHBondContact ND1-O 3.17Å; I191-V193 HydrophobicContact CD1-CG2 4.43Å |
| 194 | N | 97.2 | Very high | 86 | Confident | 71 Ų | 71 | 92.6 Ų | 92.6 | 38% | 0.38 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 162.8 | -177.9 | -74.6 | -50.9 | 0 | 0 | 0 | 110 | L124 H125 A196 | L124-N194 CarbonylContact C-O 3.56Å; L124-N194 WeakPolarHBondContact CA-O 3.48Å; H125-N194 PolarHBondContact N-O 3.46Å; H125-N194 PolarHBondContact O-N 3.06Å; N194-A196 PolarHBondContact O-N 3.09Å |
| 195 | N | 96.3 | Very high | 84 | Confident | 87 Ų | 87 | 99 Ų | 99 | 47% | 0.465 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 133 | 169.4 | -64.8 | 23.4 | 0 | 0 | 0 | 108.7 | R178 | R178-N195 PolarHBondContact NH1-OD1 3.02Å |
| 196 | A | 94.3 | Very high | 82.1 | Confident | 19 Ų | 19 | 99.8 Ų | 99.8 | 16% | 0.157 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 141.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | R123 H125 F165 N194 A198 | R123-A196 HydrophobicContact CB-CB 3.94Å; R123-A196 HydrophobicContact CG-CB 3.75Å; R123-A196 WeakPolarHBondContact O-CB 3.24Å; R123-A196 PolarHBondContact O-N 3.01Å; H125-A196 HydrophobicContact CB-CB 4.21Å; F165-A196 HydrophobicContact CD1-CB 3.74Å; F165-A196 HydrophobicContact CE1-CB 4Å; N194-A196 PolarHBondContact O-N 3.09Å; A196-A198 PolarHBondContact O-N 2.67Å |
| 197 | T | 88.3 | Confident | 80.3 | Confident | 131 Ų | 131 | 103.8 Ų | 103.8 | 80% | 0.804 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 126.7 | 160.8 | -47.1 | 0 | 0 | 0 | 0 | 108.5 | R199 | T197-R199 PolarHBondContact O-N 2.76Š|
| 198 | A | 78.1 | Confident | 78.6 | Confident | 80 Ų | 80 | 102.2 Ų | 102.2 | 66% | 0.661 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 134 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A196 V200 | A196-A198 PolarHBondContact O-N 2.67Å; A198-V200 PolarHBondContact O-N 3.36Å |
| 199 | R | 76.1 | Confident | 77 | Confident | 135 Ų | 135 | 104 Ų | 104 | 51% | 0.509 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 124.3 | 167 | -79 | -172.6 | 143.8 | 162.9 | -0.4 | 107.7 | E152 T197 M201 | E152-R199 IonicContact OE1-CZ 2.84Å; E152-R199 IonicContact OE1-NH1 3.8Å; E152-R199 PolarHBondContact OE1-NH1 3.41Å; E152-R199 IonicContact OE1-NH2 2.67Å; E152-R199 PolarHBondContact OE1-NH2 2.87Å; E152-R199 IonicContact OE2-CZ 2.8Å; E152-R199 IonicContact OE2-NE 3.5Å; E152-R199 IonicContact OE2-NH1 3.17Å; E152-R199 PolarHBondContact OE2-NH1 3.12Å; E152-R199 IonicContact OE2-NH2 3.09Å; E152-R199 PolarHBondContact OE2-NH2 3.3Å; E152-R199 VanDerWaalsContact OE2-NH2 3.09Å; T197-R199 PolarHBondContact O-N 2.76Å; R199-M201 PolarHBondContact O-N 3.27Å |
| 200 | V | 72.6 | Confident | 74.9 | Confident | 142 Ų | 142 | 110.7 Ų | 110.7 | 86% | 0.861 | 58% | 0.58 | S | S | * | * | trans | -71 | 76.8 | 169.6 | -175 | 0 | 0 | 0 | 0 | 108.1 | A198 T202 | A198-V200 PolarHBondContact O-N 3.36Å; V200-T202 VanDerWaalsContact C-N 3.29Å; V200-T202 PolarHBondContact O-N 2.81Å | ||
| 201 | M | 63.4 | Low | 73 | Confident | 162 Ų | 162 | 109.3 Ų | 109.3 | 80% | 0.798 | 58% | 0.582 | S | S | * | * | trans | -64.3 | 97.8 | 162 | -73.7 | -175.6 | 168.6 | 0 | 0 | 106.4 | R199 N203 | R199-M201 PolarHBondContact O-N 3.27Å; M201-N203 PolarHBondContact O-N 2.88Å | ||
| 202 | T | 61.5 | Low | 70.5 | Confident | 121 Ų | 121 | 115.6 Ų | 115.6 | 74% | 0.742 | 62% | 0.616 | S | S | * | * | trans | -63.6 | 91.9 | 164.9 | 179.3 | 0 | 0 | 0 | 0 | 107.2 | V200 K204 | V200-T202 VanDerWaalsContact C-N 3.29Å; V200-T202 PolarHBondContact O-N 2.81Å; T202-K204 PolarHBondContact O-N 3.49Å | ||
| 203 | N | 55.3 | Low | 68.4 | Low | 139 Ų | 139 | 114.6 Ų | 114.6 | 74% | 0.743 | 63% | 0.629 | S | S | * | * | trans | -72.5 | 79.3 | 179.2 | -169.5 | -20 | 0 | 0 | 0 | 107.5 | M201 K205 | M201-N203 PolarHBondContact O-N 2.88Å; N203-K205 PolarHBondContact O-N 3.26Å; N203-K205 PolarHBondContact OD1-N 3.01Å | ||
| 204 | K | 56.3 | Low | 66.1 | Low | 177 Ų | 177 | 125.8 Ų | 125.8 | 77% | 0.77 | 67% | 0.671 | S | S | * | * | trans | -63.7 | 76 | 158.8 | -79.1 | -168.6 | 66.4 | 179.9 | 0 | 107.6 | T202 T206 | T202-K204 PolarHBondContact O-N 3.49Å; K204-T206 VanDerWaalsContact C-N 3.31Å; K204-T206 PolarHBondContact O-N 3.35Å | ||
| 205 | K | 55.5 | Low | 63.9 | Low | 182 Ų | 182 | 131.3 Ų | 131.3 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | trans | -55.3 | 102.8 | 159.8 | -173 | 172.6 | -172.8 | 175.1 | 0 | 105.4 | N203 V207 | N203-K205 PolarHBondContact O-N 3.26Å; N203-K205 PolarHBondContact OD1-N 3.01Å; K205-V207 VanDerWaalsContact C-N 3.33Å; K205-V207 PolarHBondContact O-N 3.35Å | ||
| 206 | T | 56.8 | Low | 61.7 | Low | 117 Ų | 117 | 133.9 Ų | 133.9 | 72% | 0.718 | 71% | 0.705 | S | S | * | * | trans | -59.5 | 100 | 178.4 | -63.3 | 0 | 0 | 0 | 0 | 107.2 | K204 N208 | K204-T206 VanDerWaalsContact C-N 3.31Å; K204-T206 PolarHBondContact O-N 3.35Å; T206-N208 PolarHBondContact O-N 2.96Å; T206-N208 VanDerWaalsContact O-N 3.14Å; T206-N208 PolarHBondContact O-OD1 2.77Å | ||
| 207 | V | 57.6 | Low | 59.4 | Low | 108 Ų | 108 | 139.1 Ų | 139.1 | 66% | 0.655 | 73% | 0.73 | S | S | * | * | trans | -73.7 | 107 | 175.4 | 62.5 | 0 | 0 | 0 | 0 | 106.7 | K205 P209 | K205-V207 VanDerWaalsContact C-N 3.33Å; K205-V207 PolarHBondContact O-N 3.35Å; V207-P209 WeakPolarHBondContact O-CD 3.36Å; V207-P209 VanDerWaalsContact O-N 3.15Å | ||
| 208 | N | 58.5 | Low | 57.7 | Low | 107 Ų | 107 | 139.2 Ų | 139.2 | 57% | 0.572 | 73% | 0.733 | S | S | * | * | trans | -58.6 | 119.3 | 174.4 | -69.6 | 17.7 | 0 | 0 | 0 | 107.3 | T206 Y210 T211 | T206-N208 PolarHBondContact O-N 2.96Å; T206-N208 VanDerWaalsContact O-N 3.14Å; T206-N208 PolarHBondContact O-OD1 2.77Å; N208-Y210 PolarHBondContact O-N 2.76Å; N208-T211 PolarHBondContact O-N 2.79Å | ||
| 209 | P | 60.7 | Low | 56.4 | Low | 111 Ų | 111 | 141.1 Ų | 141.1 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 12.8 | -169.3 | 28.7 | -35.9 | 0 | 0 | 0 | 114.5 | V207 | V207-P209 WeakPolarHBondContact O-CD 3.36Å; V207-P209 VanDerWaalsContact O-N 3.15Å |
| 210 | Y | 53.8 | Low | 55.2 | Low | 219 Ų | 219 | 141.6 Ų | 141.6 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118 | -6.8 | -175.9 | -70.2 | -77.4 | 0 | 0 | 0 | 114.2 | N208 | N208-Y210 PolarHBondContact O-N 2.76Š|
| 211 | T | 56.8 | Low | 54 | Low | 101 Ų | 101 | 138.9 Ų | 138.9 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -91.2 | -2.5 | -171.3 | -165.2 | 0 | 0 | 0 | 0 | 115.4 | N208 | N208-T211 PolarHBondContact O-N 2.79Š|
| 212 | N | 46.1 | Very low | 53.3 | Low | 132 Ų | 132 | 135.7 Ų | 135.7 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -139.5 | 141.4 | 168.3 | -60.9 | -76.7 | 0 | 0 | 0 | 107 | ||
| 213 | G | 53.2 | Low | 52.8 | Low | 65 Ų | 65 | 136.4 Ų | 136.4 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | cis | 153 | 36.6 | 7.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | K215 | G213-K215 PolarHBondContact O-N 2.89Š| ||
| 214 | W | 49.4 | Very low | 51.9 | Low | 236 Ų | 236 | 139.8 Ų | 139.8 | 89% | 0.894 | 76% | 0.762 | S | S | * | * | trans | -71.2 | 79.5 | -177.4 | -71.9 | 101.8 | 0 | 0 | 0 | 110.4 | L216 | W214-L216 PolarHBondContact O-N 2.82Š| ||
| 215 | K | 50.9 | Low | 50.9 | Low | 187 Ų | 187 | 137.1 Ų | 137.1 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -70.3 | 74.7 | 167.7 | -173.1 | -178.1 | 174 | -178.2 | 0 | 108.9 | G213 N217 | G213-K215 PolarHBondContact O-N 2.89Å; K215-N217 PolarHBondContact O-N 3.14Å | ||
| 216 | L | 51.1 | Low | 50.4 | Low | 141 Ų | 141 | 133.7 Ų | 133.7 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -62.5 | 120.1 | 170.3 | -68.5 | 174 | 0 | 0 | 0 | 108.4 | W214 P218 | W214-L216 PolarHBondContact O-N 2.82Å; L216-P218 WeakPolarHBondContact O-CD 3.43Å | ||
| 217 | N | 45.4 | Very low | 49.7 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 68% | 0.684 | 76% | 0.758 | S | S | * | * | trans | -74 | 121.7 | 171.2 | -65.2 | -36.5 | 0 | 0 | 0 | 108 | K215 V219 | K215-N217 PolarHBondContact O-N 3.14Å; N217-V219 VanDerWaalsContact C-N 3.25Å; N217-V219 PolarHBondContact O-N 2.81Å | ||
| 218 | P | 53.6 | Low | 48.7 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -82.5 | 65.7 | -174.6 | 33.9 | -36.1 | 0 | 0 | 0 | 111.9 | L216 | L216-P218 WeakPolarHBondContact O-CD 3.43Š|
| 219 | V | 50.3 | Low | 47.7 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -154.7 | 157 | 169.1 | 116.5 | 0 | 0 | 0 | 0 | 109.6 | N217 | N217-V219 VanDerWaalsContact C-N 3.25Å; N217-V219 PolarHBondContact O-N 2.81Å |
| 220 | V | 49.7 | Very low | 46.9 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | 54.2 | 56.3 | -172.7 | -66 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 221 | G | 47.3 | Very low | 46.1 | Very low | 85 Ų | 85 | 139.2 Ų | 139.2 | 88% | 0.876 | 78% | 0.782 | S | S | * | * | trans | -119.5 | 46.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 222 | A | 49.4 | Very low | 46.1 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -142.4 | 40.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 223 | V | 50.8 | Low | 45.5 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -141.2 | 144 | 161.8 | 172.4 | 0 | 0 | 0 | 0 | 108.7 | ||
| 224 | Y | 37.4 | Very low | 44.5 | Very low | 210 Ų | 210 | 144.7 Ų | 144.7 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | 72.7 | 81.8 | 172.7 | -118.8 | -95.6 | 0 | 0 | 0 | 118 | ||||
| 225 | S | 33.6 | Very low | 44.8 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -105.1 | 135.7 | 148.9 | -63.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 226 | P | 45.4 | Very low | 44.2 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | trans | -96.1 | 118.8 | 159.2 | 6.4 | 13.4 | 0 | 0 | 0 | 110.1 | ||||
| 227 | E | 42.7 | Very low | 44.6 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 64% | 0.64 | 81% | 0.805 | S | S | * | * | trans | -23.5 | 128 | 165.4 | -73.5 | -66.2 | 157.2 | 0 | 0 | 117.1 | Y229 | E227-Y229 VanDerWaalsContact OE2-CD2 3.31Å; E227-Y229 WeakPolarHBondContact OE2-CD2 3.46Å; E227-Y229 WeakPolarHBondContact OE2-CE2 3.35Å | ||
| 228 | F | 36.5 | Very low | 44.2 | Very low | 213 Ų | 213 | 138.3 Ų | 138.3 | 93% | 0.934 | 81% | 0.813 | S | S | * | * | trans | -144.6 | 119.8 | 137.6 | -91.5 | -69.8 | 0 | 0 | 0 | 110.2 | ||||
| 229 | Y | 36.8 | Very low | 44 | Very low | 201 Ų | 201 | 136.2 Ų | 136.2 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | -63.7 | 146.2 | -173.5 | -96.1 | -124.8 | 0 | 0 | 0 | 113.9 | E227 | E227-Y229 VanDerWaalsContact OE2-CD2 3.31Å; E227-Y229 WeakPolarHBondContact OE2-CD2 3.46Å; E227-Y229 WeakPolarHBondContact OE2-CE2 3.35Å | ||
| 230 | A | 44.9 | Very low | 43.4 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -109.8 | 132.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 231 | V | 36.2 | Very low | 42.8 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | trans | -139.8 | 132.2 | 168.9 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 232 | P | 58 | Low | 42.8 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 84% | 0.844 | 81% | 0.808 | S | S | * | * | trans | -100.1 | 160.7 | -167.6 | 37.9 | -36.3 | 0 | 0 | 0 | 115.3 | ||||
| 233 | G | 33.3 | Very low | 42.3 | Very low | 75 Ų | 75 | 135.8 Ų | 135.8 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -170.9 | 142.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 234 | F | 32.3 | Very low | 42 | Very low | 209 Ų | 209 | 134.1 Ų | 134.1 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | -91.6 | 176.3 | 177.3 | -59.5 | -97.5 | 0 | 0 | 0 | 111.4 | ||||
| 235 | P | 54.5 | Low | 41.9 | Very low | 119 Ų | 119 | 135 Ų | 135 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | cis | -131.4 | -171.3 | -6.5 | 26.8 | -2 | 0 | 0 | 0 | 115.1 | ||||
| 236 | Y | 38.6 | Very low | 42 | Very low | 220 Ų | 220 | 140.3 Ų | 140.3 | 86% | 0.863 | 81% | 0.813 | S | S | * | * | trans | -60.7 | 176.4 | 165.4 | -64.9 | -82.5 | 0 | 0 | 0 | 114 | ||||
| 237 | P | 59.7 | Low | 41.5 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | cis | -142.3 | -168.2 | 11.9 | 44.8 | -25.8 | 0 | 0 | 0 | 117.7 | ||||
| 238 | A | 38.2 | Very low | 41.2 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | 88 | 151.4 | 151.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 239 | A | 48.9 | Very low | 41.9 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | -96.8 | 160 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 240 | T | 36.7 | Very low | 42.3 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | -169 | 155.9 | 127.5 | 13.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 241 | A | 37.2 | Very low | 42.5 | Very low | 91 Ų | 91 | 141.7 Ų | 141.7 | 75% | 0.752 | 83% | 0.832 | S | S | * | * | trans | 40.2 | 118.1 | 145.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 242 | A | 47.1 | Very low | 42.4 | Very low | 107 Ų | 107 | 139 Ų | 139 | 88% | 0.884 | 83% | 0.831 | S | S | * | * | 45.1 | 107.8 | 127.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 243 | A | 39.5 | Very low | 42 | Very low | 94 Ų | 94 | 145.5 Ų | 145.5 | 78% | 0.777 | 84% | 0.839 | S | S | * | * | trans | -119.6 | 113 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110 | Y245 | A243-Y245 PolarHBondContact O-N 3.32Š| ||
| 244 | A | 44.3 | Very low | 42.1 | Very low | 103 Ų | 103 | 145.1 Ų | 145.1 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | trans | -78 | 120 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | R246 | A244-R246 PolarHBondContact O-N 2.81Š| ||
| 245 | Y | 35.3 | Very low | 42.5 | Very low | 229 Ų | 229 | 146.6 Ų | 146.6 | 90% | 0.898 | 84% | 0.835 | S | S | * | * | trans | -75.3 | 94.7 | 177.5 | -109 | -88.4 | 0 | 0 | 0 | 111.7 | A243 G247 | A243-Y245 PolarHBondContact O-N 3.32Å; Y245-G247 PolarHBondContact O-N 2.84Å | ||
| 246 | R | 37 | Very low | 41.8 | Very low | 230 Ų | 230 | 146.2 Ų | 146.2 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | trans | -52.6 | 127.4 | 160.4 | 173.9 | -164.9 | -87.2 | -109.3 | 6.2 | 108.6 | A244 | A244-R246 PolarHBondContact O-N 2.81Š| ||
| 247 | G | 34.5 | Very low | 41.9 | Very low | 67 Ų | 67 | 141.7 Ų | 141.7 | 69% | 0.691 | 83% | 0.825 | S | S | * | * | trans | -64.2 | 141.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y245 | Y245-G247 PolarHBondContact O-N 2.84Š| ||
| 248 | A | 36.2 | Very low | 40.9 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | trans | -121.2 | 136.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 249 | H | 50 | Low | 40.9 | Very low | 191 Ų | 191 | 146.2 Ų | 146.2 | 88% | 0.884 | 82% | 0.816 | S | S | * | * | trans | -83.8 | 131.9 | -168.6 | -60.8 | -99.9 | 0 | 0 | 0 | 112.2 | ||||
| 250 | L | 46.7 | Very low | 40.7 | Very low | 177 Ų | 177 | 148.6 Ų | 148.6 | 93% | 0.927 | 82% | 0.821 | S | S | * | * | trans | -118.1 | 133 | 157.8 | -75 | 178.2 | 0 | 0 | 0 | 110.9 | ||||
| 251 | R | 48.4 | Very low | 41 | Very low | 253 Ų | 253 | 150.1 Ų | 150.1 | 96% | 0.955 | 82% | 0.816 | S | S | * | * | trans | -104.2 | 94.4 | -166.7 | -176.2 | -169.1 | -155 | 165.9 | 5.6 | 108.9 | ||||
| 252 | G | 33.9 | Very low | 41.2 | Very low | 74 Ų | 74 | 157.4 Ų | 157.4 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | trans | -141.5 | 139.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 253 | R | 49.8 | Very low | 40.8 | Very low | 266 Ų | 266 | 157.1 Ų | 157.1 | 100% | 1.004 | 82% | 0.822 | S | S | * | * | trans | -67.1 | 127.7 | -179.7 | -76.3 | 173.8 | 164.7 | 167.6 | -6.6 | 111.8 | ||||
| 254 | G | 35.2 | Very low | 41.2 | Very low | 67 Ų | 67 | 157 Ų | 157 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | trans | 176 | 108 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T256 | G254-T256 PolarHBondContact O-N 3.41Š| ||
| 255 | R | 41.4 | Very low | 41.3 | Very low | 240 Ų | 240 | 156.4 Ų | 156.4 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -85.1 | 84.2 | 172.9 | -69.7 | -174.1 | 80.1 | -170.1 | 6.3 | 110 | V257 | R255-V257 PolarHBondContact O-N 3.25Š| ||
| 256 | T | 39.4 | Very low | 42.2 | Very low | 111 Ų | 111 | 151.1 Ų | 151.1 | 68% | 0.681 | 81% | 0.81 | S | S | * | * | trans | -78.5 | 102.5 | 164.3 | 39 | 0 | 0 | 0 | 0 | 109.6 | G254 Y258 | G254-T256 PolarHBondContact O-N 3.41Å; T256-Y258 VanDerWaalsContact C-N 3.31Å; T256-Y258 HydrophobicContact CG2-CE2 4.31Å; T256-Y258 PolarHBondContact O-N 3.11Å; T256-Y258 VanDerWaalsContact O-N 3.08Å | ||
| 257 | V | 40.7 | Very low | 43 | Very low | 125 Ų | 125 | 145.6 Ų | 145.6 | 76% | 0.758 | 80% | 0.804 | S | S | * | * | trans | -79.1 | 86.8 | 167.1 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | R255 | R255-V257 PolarHBondContact O-N 3.25Š| ||
| 258 | Y | 37.8 | Very low | 44.3 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | trans | -73 | 128.5 | 167.3 | -91.2 | -85.1 | 0 | 0 | 0 | 109.5 | T256 T260 | T256-Y258 VanDerWaalsContact C-N 3.31Å; T256-Y258 HydrophobicContact CG2-CE2 4.31Å; T256-Y258 PolarHBondContact O-N 3.11Å; T256-Y258 VanDerWaalsContact O-N 3.08Å; Y258-T260 PolarHBondContact O-N 3.29Å | ||
| 259 | N | 38.7 | Very low | 44.8 | Very low | 120 Ų | 120 | 149 Ų | 149 | 64% | 0.642 | 81% | 0.805 | S | S | * | * | trans | -60.4 | 122.7 | 171.5 | -117.9 | 26.8 | 0 | 0 | 0 | 109.3 | F261 | N259-F261 HydrophobicContact CB-CD2 3.91Å; N259-F261 HydrophobicContact CB-CE2 3.86Å; N259-F261 WeakPolarHBondContact ND2-CE2 3.31Å; N259-F261 PolarHBondContact O-N 2.92Å | ||
| 260 | T | 44.2 | Very low | 44.5 | Very low | 140 Ų | 140 | 147.5 Ų | 147.5 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -77.5 | 63.6 | 176.8 | 46.1 | 0 | 0 | 0 | 0 | 111.3 | Y258 R262 | Y258-T260 PolarHBondContact O-N 3.29Å; T260-R262 PolarHBondContact O-N 3.25Å | ||
| 261 | F | 43.9 | Very low | 44.6 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 77% | 0.768 | 79% | 0.791 | S | S | * | * | trans | -61.1 | 109.3 | 163.3 | -75.4 | -68.8 | 0 | 0 | 0 | 108.4 | N259 A263 | N259-F261 HydrophobicContact CB-CD2 3.91Å; N259-F261 HydrophobicContact CB-CE2 3.86Å; N259-F261 WeakPolarHBondContact ND2-CE2 3.31Å; N259-F261 PolarHBondContact O-N 2.92Å; F261-A263 PolarHBondContact O-N 2.97Å | ||
| 262 | R | 41.4 | Very low | 44.2 | Very low | 244 Ų | 244 | 136.9 Ų | 136.9 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -67.7 | 94.2 | -178.6 | -170.6 | -179.3 | -160.8 | -123 | 4.9 | 109 | T260 A264 | T260-R262 PolarHBondContact O-N 3.25Å; R262-A264 PolarHBondContact O-N 2.96Å | ||
| 263 | A | 38.3 | Very low | 44.3 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -59.1 | 101.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | F261 | F261-A263 PolarHBondContact O-N 2.97Š| ||
| 264 | A | 47.3 | Very low | 43.7 | Very low | 92 Ų | 92 | 135.6 Ų | 135.6 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 139.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | R262 | R262-A264 PolarHBondContact O-N 2.96Š|
| 265 | A | 48.3 | Very low | 43.8 | Very low | 90 Ų | 90 | 136 Ų | 136 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 144.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 266 | P | 53.1 | Low | 43.8 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 145 | 173.9 | 27.9 | -34.5 | 0 | 0 | 0 | 110.4 | ||
| 267 | P | 54.1 | Low | 43.5 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 150.6 | 174.3 | 29 | -34.7 | 0 | 0 | 0 | 110.8 | ||
| 268 | P | 60.8 | Low | 43.4 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 148.4 | 175.9 | 29 | -35 | 0 | 0 | 0 | 111.2 | ||
| 269 | P | 46.8 | Very low | 43.1 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 134 | 178.1 | 28.1 | -34.2 | 0 | 0 | 0 | 111.3 | ||
| 270 | I | 44.8 | Very low | 42.6 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -78 | 131.4 | 173.6 | -57.3 | 171.3 | 0 | 0 | 0 | 108.3 | A272 | I270-A272 PolarHBondContact O-N 3.15Å; I270-A272 VanDerWaalsContact O-N 3.12Å |
| 271 | P | 47.7 | Very low | 42 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | trans | -69.6 | 109 | 175.5 | 28 | -33.5 | 0 | 0 | 0 | 110.5 | Y273 | P271-Y273 PolarHBondContact O-N 2.95Š| ||
| 272 | A | 40.1 | Very low | 41.5 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -71.8 | 116.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I270 | I270-A272 PolarHBondContact O-N 3.15Å; I270-A272 VanDerWaalsContact O-N 3.12Å | ||
| 273 | Y | 37.4 | Very low | 41.1 | Very low | 231 Ų | 231 | 135 Ų | 135 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -67.4 | 138.5 | 166.8 | -95.5 | -100.9 | 0 | 0 | 0 | 109.9 | P271 G275 | P271-Y273 PolarHBondContact O-N 2.95Å; Y273-G275 PolarHBondContact O-N 3Å | ||
| 274 | G | 37.1 | Very low | 40.8 | Very low | 82 Ų | 82 | 133.4 Ų | 133.4 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -69.6 | 115.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 275 | G | 36.7 | Very low | 40.1 | Very low | 74 Ų | 74 | 133.9 Ų | 133.9 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -90 | 124.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y273 | Y273-G275 PolarHBondContact O-N 3Š|
| 276 | V | 40.4 | Very low | 39.5 | Very low | 136 Ų | 136 | 137 Ų | 137 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 141.7 | 175.5 | -74.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 277 | V | 34.8 | Very low | 38.6 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 132.3 | 174.1 | -73.8 | 0 | 0 | 0 | 0 | 111 | ||
| 278 | Y | 38 | Very low | 37.5 | Very low | 230 Ų | 230 | 144.1 Ų | 144.1 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -135.5 | 152.5 | 153 | -99.7 | -84 | 0 | 0 | 0 | 109.1 | ||||
| 279 | Q | 30.4 | Very low | 36 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -111.1 | 159 | -169.8 | -179.1 | 175 | -2.7 | 0 | 0 | 110.7 | ||||
| 280 | D | 29.6 | Very low | 35.1 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | 77.1 | 160.3 | 165.6 | -115.5 | -66.8 | 0 | 0 | 0 | 118 | ||||
| 281 | G | 31.8 | Very low | 34.5 | Very low | 72 Ų | 72 | 142.1 Ų | 142.1 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | 124.7 | 85.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 282 | F | 33 | Very low | 34 | Very low | 198 Ų | 198 | 142 Ų | 142 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | -83.6 | 112.6 | 170.9 | -177.2 | -80.6 | 0 | 0 | 0 | 110.7 | ||||
| 283 | Y | 32.9 | Very low | 33.6 | Very low | 231 Ų | 231 | 140.3 Ų | 140.3 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -167.5 | 158.3 | 156.6 | -118.1 | -80.9 | 0 | 0 | 0 | 110.3 | ||||
| 284 | G | 30.8 | Very low | 33.2 | Very low | 67 Ų | 67 | 140.6 Ų | 140.6 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | -140 | 159.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 285 | A | 33.3 | Very low | 33 | Very low | 102 Ų | 102 | 146.8 Ų | 146.8 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -165.6 | 153.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 286 | D | 36.2 | Very low | 32.7 | Very low | 156 Ų | 156 | 154.2 Ų | 154.2 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -79.1 | -169.2 | 172.7 | -58.7 | -97.2 | 0 | 0 | 0 | 113.1 | ||||
| 287 | I | 33.6 | Very low | 32.4 | Very low | 149 Ų | 149 | 152.4 Ų | 152.4 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | trans | 99.9 | 130.7 | 155 | -53.8 | -169.9 | 0 | 0 | 0 | 117.7 | ||||
| 288 | Y | 31.5 | Very low | 32.3 | Very low | 233 Ų | 233 | 154.2 Ų | 154.2 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | trans | 67.9 | 152.1 | 168.5 | -91.4 | -139.4 | 0 | 0 | 0 | 118.3 | ||||
| 289 | G | 28.6 | Very low | 32.2 | Very low | 51 Ų | 51 | 149.2 Ų | 149.2 | 53% | 0.526 | 80% | 0.802 | S | S | . | * | cis | 158.3 | 78.7 | -5.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 290 | G | 28.8 | Very low | 32.4 | Very low | 74 Ų | 74 | 147.1 Ų | 147.1 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 71.4 | 103.8 | 154.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 291 | Y | 32.2 | Very low | 32.8 | Very low | 229 Ų | 229 | 145.6 Ų | 145.6 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | -127.9 | 113.7 | 151.4 | -29.3 | -72.2 | 0 | 0 | 0 | 109.1 | ||||
| 292 | A | 36 | Very low | 33.1 | Very low | 108 Ų | 108 | 146.9 Ų | 146.9 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -97.6 | 135.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 293 | A | 32.4 | Very low | 33.2 | Very low | 63 Ų | 63 | 144.1 Ų | 144.1 | 52% | 0.521 | 80% | 0.803 | S | S | . | * | trans | -147.4 | 105.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | R295 | A293-R295 PolarHBondContact O-N 2.86Š| ||
| 294 | Y | 29.8 | Very low | 33.5 | Very low | 236 Ų | 236 | 137.7 Ų | 137.7 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -54.1 | 134.9 | 176.1 | -72.6 | -43.2 | 0 | 0 | 0 | 112.2 | ||||
| 295 | R | 32.2 | Very low | 34 | Very low | 213 Ų | 213 | 139.1 Ų | 139.1 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -137.2 | 138.5 | 161.9 | -40.4 | -71.8 | 174.2 | -151.7 | 4.2 | 107.2 | A293 | A293-R295 PolarHBondContact O-N 2.86Š| ||
| 296 | Y | 30.1 | Very low | 34.4 | Very low | 230 Ų | 230 | 138.2 Ų | 138.2 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -46.8 | 139.4 | -169.9 | -89.8 | -110.9 | 0 | 0 | 0 | 116.2 | ||||
| 297 | A | 34.4 | Very low | 34.7 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -74.9 | 137.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 298 | Q | 33.6 | Very low | 35.2 | Very low | 175 Ų | 175 | 138 Ų | 138 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -114.2 | 141.9 | 162.2 | -71.4 | -169.9 | -13.2 | 0 | 0 | 109 | T300 | Q298-T300 PolarHBondContact O-N 2.91Š| ||
| 299 | P | 35.9 | Very low | 35.9 | Very low | 125 Ų | 125 | 132 Ų | 132 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 120.9 | 176.5 | 28.9 | -32.7 | 0 | 0 | 0 | 110.3 | ||
| 300 | T | 34.7 | Very low | 36.8 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 130.7 | 170 | 46.1 | 0 | 0 | 0 | 0 | 110.2 | Q298 A302 | Q298-T300 PolarHBondContact O-N 2.91Å; T300-A302 PolarHBondContact O-N 2.91Å |
| 301 | P | 37.8 | Very low | 37.5 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 120.6 | 166.1 | 28.3 | -32.4 | 0 | 0 | 0 | 108.7 | T303 | P301-T303 PolarHBondContact O-N 2.91Å; P301-T303 VanDerWaalsContact O-N 3.11Å |
| 302 | A | 36.6 | Very low | 38.1 | Very low | 99 Ų | 99 | 133 Ų | 133 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -67.1 | 110.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | T300 A304 | T300-A302 PolarHBondContact O-N 2.91Å; A302-A304 PolarHBondContact O-N 2.94Å | ||
| 303 | T | 36.8 | Very low | 38.9 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | trans | -69.4 | 95 | 172.1 | 42.6 | 0 | 0 | 0 | 0 | 109.7 | P301 A305 | P301-T303 PolarHBondContact O-N 2.91Å; P301-T303 VanDerWaalsContact O-N 3.11Å; T303-A305 PolarHBondContact O-N 3.26Å; T303-A305 VanDerWaalsContact O-N 3.15Å | ||
| 304 | A | 38.3 | Very low | 39.6 | Very low | 96 Ų | 96 | 139 Ų | 139 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | trans | -57.8 | 115.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | A302 A306 | A302-A304 PolarHBondContact O-N 2.94Å; A304-A306 PolarHBondContact O-N 3.35Å | ||
| 305 | A | 41.8 | Very low | 40.2 | Very low | 98 Ų | 98 | 137.1 Ų | 137.1 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | -76 | 84.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T303 Y307 | T303-A305 PolarHBondContact O-N 3.26Å; T303-A305 VanDerWaalsContact O-N 3.15Å; A305-Y307 PolarHBondContact O-N 3.4Å | ||
| 306 | A | 41.1 | Very low | 40.7 | Very low | 83 Ų | 83 | 131.8 Ų | 131.8 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | trans | -66.7 | 96 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | A304 S308 | A304-A306 PolarHBondContact O-N 3.35Å; A306-S308 PolarHBondContact O-N 3.08Å | ||
| 307 | Y | 42.5 | Very low | 41.3 | Very low | 211 Ų | 211 | 125.7 Ų | 125.7 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -79.5 | 109.2 | 178.8 | -149.8 | -88 | 0 | 0 | 0 | 109.9 | A305 | A305-Y307 PolarHBondContact O-N 3.4Š| ||
| 308 | S | 43.3 | Very low | 41.5 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 62% | 0.622 | 76% | 0.757 | S | S | * | * | trans | -93.1 | 119.4 | 177.8 | 59.3 | 0 | 0 | 0 | 0 | 111 | A306 | A306-S308 PolarHBondContact O-N 3.08Š| ||
| 309 | D | 46.2 | Very low | 42.2 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 57% | 0.567 | 75% | 0.752 | S | S | * | * | trans | -72.4 | 157.2 | 168.5 | -152.9 | -57.8 | 0 | 0 | 0 | 111 | Y311 G312 | D309-Y311 PolarHBondContact O-N 3.35Å; D309-G312 PolarHBondContact O-N 3.34Å | ||
| 310 | S | 47.6 | Very low | 42.4 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.7 | -18.9 | 176.3 | 60.2 | 0 | 0 | 0 | 0 | 116.3 | ||
| 311 | Y | 43.8 | Very low | 42.7 | Very low | 209 Ų | 209 | 129.7 Ų | 129.7 | 82% | 0.82 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 16.1 | 176.8 | -80.8 | -89.6 | 0 | 0 | 0 | 114.8 | D309 R313 | D309-Y311 PolarHBondContact O-N 3.35Å; Y311-R313 PolarHBondContact O-N 3.22Å |
| 312 | G | 45.3 | Very low | 42.6 | Very low | 61 Ų | 61 | 132.3 Ų | 132.3 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | trans | 70.5 | 26.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | D309 | D309-G312 PolarHBondContact O-N 3.34Š| ||
| 313 | R | 52.6 | Low | 42.4 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | trans | -91.5 | 135.8 | 170.6 | -61.5 | -58.1 | -174.8 | 170.4 | 0.4 | 110 | Y311 Y315 | Y311-R313 PolarHBondContact O-N 3.22Å; R313-Y315 HydrophobicContact CB-CE2 4.18Å | ||
| 314 | V | 46.4 | Very low | 42.3 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | trans | -115 | 125.6 | 177.7 | -172.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 315 | Y | 42.8 | Very low | 42 | Very low | 197 Ų | 197 | 134 Ų | 134 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -107.9 | 123.3 | 173.7 | -68.3 | -85.1 | 0 | 0 | 0 | 109.1 | R313 | R313-Y315 HydrophobicContact CB-CE2 4.18Š| ||
| 316 | A | 42.7 | Very low | 42 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | trans | -84.3 | 128 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 317 | A | 44.3 | Very low | 41.5 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | -87.5 | 107.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 318 | D | 38.6 | Very low | 41.9 | Very low | 132 Ų | 132 | 132 Ų | 132 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -82.3 | 119.7 | 175.3 | -163.2 | -25.1 | 0 | 0 | 0 | 109.6 | Y320 | D318-Y320 VanDerWaalsContact C-N 3.31Å; D318-Y320 PolarHBondContact O-N 2.99Å | ||
| 319 | P | 48 | Very low | 41.4 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | trans | -83.6 | 13.9 | -166.1 | 33.2 | -37.1 | 0 | 0 | 0 | 115.9 | ||||
| 320 | Y | 40.1 | Very low | 40.6 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 70% | 0.698 | 78% | 0.783 | S | S | * | * | trans | -139.5 | 92 | 179.7 | -79.7 | -78.1 | 0 | 0 | 0 | 115.1 | D318 | D318-Y320 VanDerWaalsContact C-N 3.31Å; D318-Y320 PolarHBondContact O-N 2.99Å | ||
| 321 | H | 39.5 | Very low | 39.7 | Very low | 189 Ų | 189 | 137.7 Ų | 137.7 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | trans | -146.4 | 127.9 | 148.1 | -90.9 | -66.4 | 0 | 0 | 0 | 111.4 | ||||
| 322 | H | 35.9 | Very low | 39.1 | Very low | 176 Ų | 176 | 134.8 Ų | 134.8 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | trans | -88.1 | 164.6 | -178.7 | -79.7 | -102.2 | 0 | 0 | 0 | 113 | ||||
| 323 | A | 33.2 | Very low | 38.4 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -58.5 | 158.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 324 | L | 34.6 | Very low | 37.5 | Very low | 182 Ų | 182 | 131.5 Ų | 131.5 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | trans | -156.8 | 159.3 | 140.1 | -104.2 | 164.8 | 0 | 0 | 0 | 109.6 | ||||
| 325 | A | 31.8 | Very low | 37 | Very low | 92 Ų | 92 | 134 Ų | 134 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -99 | 156.9 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 326 | P | 42.5 | Very low | 36.6 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -91.9 | 129.7 | 173.6 | 34.5 | -31.4 | 0 | 0 | 0 | 113.1 | ||||
| 327 | A | 29.7 | Very low | 36.1 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | -141.4 | 150.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 328 | P | 52.1 | Low | 35.5 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -92.1 | 161.9 | -162.2 | 36.2 | -37.2 | 0 | 0 | 0 | 114.3 | ||||
| 329 | T | 31.2 | Very low | 35.3 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | 174.1 | 118.9 | 136.1 | -80.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 330 | Y | 30 | Very low | 35.3 | Very low | 229 Ų | 229 | 136.5 Ų | 136.5 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | 52.7 | 148.3 | 147.8 | -77.6 | -111.9 | 0 | 0 | 0 | 124.2 | ||||
| 331 | G | 29.4 | Very low | 35.1 | Very low | 66 Ų | 66 | 136.3 Ų | 136.3 | 68% | 0.68 | 83% | 0.828 | S | S | * | * | trans | 131.5 | 79.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 332 | V | 30.5 | Very low | 35.2 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | 51.9 | 113.3 | 83.6 | -174.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 333 | G | 30.1 | Very low | 35.1 | Very low | 75 Ų | 75 | 132.6 Ų | 132.6 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | cis | 168.1 | 155.2 | -6.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 334 | A | 34.6 | Very low | 35 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -152.2 | 145.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 335 | M | 35.9 | Very low | 35 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | trans | -79.7 | 139.7 | -170.6 | 46.4 | -81.5 | 159.5 | 0 | 0 | 114.3 | ||||
| 336 | N | 34.7 | Very low | 35.1 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | -157.4 | 137.9 | 122.3 | -107.3 | -11.2 | 0 | 0 | 0 | 109.6 | |||||
| 337 | A | 32.4 | Very low | 34.6 | Very low | 93 Ų | 93 | 138.5 Ų | 138.5 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -124.7 | 139.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 338 | F | 30.8 | Very low | 34.8 | Very low | 216 Ų | 216 | 138.9 Ų | 138.9 | 95% | 0.947 | 81% | 0.81 | S | S | * | * | trans | -150.1 | 124.4 | 148.1 | -123.3 | -83.3 | 0 | 0 | 0 | 108.1 | ||||
| 339 | A | 34.9 | Very low | 34 | Very low | 87 Ų | 87 | 141.3 Ų | 141.3 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | trans | -115.3 | 147.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 340 | P | 46.8 | Very low | 34.2 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -79.6 | 156.2 | 175.1 | 34.1 | -34.9 | 0 | 0 | 0 | 111.4 | ||||
| 341 | L | 37.3 | Very low | 34.5 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -127.4 | 138.1 | 166.8 | -162.7 | 75.7 | 0 | 0 | 0 | 109.9 | ||||
| 342 | T | 41.8 | Very low | 34.9 | Very low | 126 Ų | 126 | 139 Ų | 139 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -114.7 | 143.6 | 177.6 | 51.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 343 | D | 32 | Very low | 35.3 | Very low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -162.6 | 165.6 | 136.8 | -157.9 | 19.2 | 0 | 0 | 0 | 113.7 | ||||
| 344 | A | 32.6 | Very low | 35.7 | Very low | 76 Ų | 76 | 139 Ų | 139 | 63% | 0.628 | 81% | 0.806 | S | S | * | * | trans | 40.7 | 129.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 345 | K | 34.7 | Very low | 35.9 | Very low | 195 Ų | 195 | 142.7 Ų | 142.7 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | cis | 87.8 | 90.8 | 25.7 | -171 | 82.8 | 169.3 | -170.1 | 0 | 116 | ||||
| 346 | T | 32.4 | Very low | 36.1 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -166.3 | 139.7 | 137.5 | 15.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 347 | R | 32 | Very low | 36.1 | Very low | 225 Ų | 225 | 140.1 Ų | 140.1 | 85% | 0.849 | 80% | 0.804 | S | S | * | * | trans | 38 | 104 | 140.3 | -71.4 | 178 | 172.6 | 164.7 | -2.8 | 123 | ||||
| 348 | S | 34.8 | Very low | 36.1 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | 37.7 | 140.9 | 106.4 | 65.9 | 0 | 0 | 0 | 0 | 124 | |||||
| 349 | H | 35.3 | Very low | 36.3 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 79% | 0.787 | 79% | 0.789 | S | S | * | * | trans | 95.5 | 153 | 152.5 | -130.3 | -72.7 | 0 | 0 | 0 | 118.9 | D351 | H349-D351 IonicContact CE1-OD2 2.86Å; H349-D351 IonicContact ND1-OD2 3.25Å; H349-D351 PolarHBondContact ND1-OD2 3.49Å | ||
| 350 | A | 36 | Very low | 36.6 | Very low | 86 Ų | 86 | 138 Ų | 138 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | 78 | 143.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 351 | D | 34.8 | Very low | 36.2 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | cis | -176.8 | 167.6 | -39.6 | -98.4 | -46.4 | 0 | 0 | 0 | 105.6 | H349 | H349-D351 IonicContact CE1-OD2 2.86Å; H349-D351 IonicContact ND1-OD2 3.25Å; H349-D351 PolarHBondContact ND1-OD2 3.49Å | ||
| 352 | D | 38.6 | Very low | 36.4 | Very low | 154 Ų | 154 | 136 Ų | 136 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -62.7 | 138.1 | -174.7 | -68.6 | -88.8 | 0 | 0 | 0 | 115.7 | ||||
| 353 | V | 39.5 | Very low | 36.3 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 90% | 0.903 | 79% | 0.788 | S | S | * | * | -165.6 | 137 | 125.5 | -97.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 354 | G | 37.3 | Very low | 37.1 | Very low | 75 Ų | 75 | 136.1 Ų | 136.1 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -93.7 | 144.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 355 | L | 39.9 | Very low | 37.2 | Very low | 173 Ų | 173 | 143 Ų | 143 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -138.1 | 135.9 | 168.2 | -106.3 | 170.5 | 0 | 0 | 0 | 111.1 | ||||
| 356 | V | 39.8 | Very low | 37.5 | Very low | 128 Ų | 128 | 145.4 Ų | 145.4 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -91.9 | 163.6 | 175.2 | 174.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 357 | L | 34.7 | Very low | 37.6 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | 102.1 | 139 | 179.8 | -60.3 | 163.7 | 0 | 0 | 0 | 113.2 | ||||
| 358 | S | 32.9 | Very low | 37.8 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | cis | -165.9 | 165.7 | -13.8 | -171 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 359 | S | 33.8 | Very low | 38.1 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | 89.8 | 149.9 | 143.8 | 84.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 360 | L | 41.8 | Very low | 38.6 | Very low | 151 Ų | 151 | 139 Ų | 139 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | 74.1 | 92.8 | 160.9 | -88.5 | 68.5 | 0 | 0 | 0 | 122.1 | ||||
| 361 | Q | 38.5 | Very low | 39.2 | Very low | 180 Ų | 180 | 145 Ų | 145 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | 76.8 | 144.1 | 108.8 | -137.6 | 87 | -28.2 | 0 | 0 | 122.7 | |||||
| 362 | A | 41.2 | Very low | 39.8 | Very low | 79 Ų | 79 | 148.7 Ų | 148.7 | 65% | 0.653 | 81% | 0.807 | S | S | * | * | trans | 76.2 | 80.4 | 146 | 0 | 0 | 0 | 0 | 0 | 120.1 | I364 | A362-I364 PolarHBondContact O-N 3.37Š| ||
| 363 | S | 40.3 | Very low | 39.8 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -63.5 | 119.1 | 153.3 | -46.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 364 | I | 47.4 | Very low | 40.7 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | trans | -101.7 | 111.6 | 170.8 | -65.3 | -176.4 | 0 | 0 | 0 | 110.6 | A362 | A362-I364 PolarHBondContact O-N 3.37Š| ||
| 365 | Y | 34.7 | Very low | 40.8 | Very low | 220 Ų | 220 | 154.8 Ų | 154.8 | 86% | 0.863 | 82% | 0.815 | S | S | * | * | trans | -79.3 | 131.1 | 174 | -157.7 | -102.2 | 0 | 0 | 0 | 109.9 | ||||
| 366 | R | 40.9 | Very low | 40.9 | Very low | 246 Ų | 246 | 153.9 Ų | 153.9 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | trans | -139 | 69.8 | 168.5 | -159.5 | 179 | -166.2 | -131.5 | 0.5 | 112.3 | ||||
| 367 | G | 35.1 | Very low | 40.9 | Very low | 58 Ų | 58 | 155.3 Ų | 155.3 | 60% | 0.598 | 81% | 0.812 | S | S | * | * | trans | -80.2 | 153.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 368 | G | 35.7 | Very low | 41.3 | Very low | 71 Ų | 71 | 155 Ų | 155 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | 83.6 | 114.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 369 | Y | 41.8 | Very low | 41.8 | Very low | 202 Ų | 202 | 158.2 Ų | 158.2 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | -162.1 | 101.6 | 106.8 | -115.3 | -70 | 0 | 0 | 0 | 111.6 | R371 | Y369-R371 HydrophobicContact CD1-CG 3.7Å; Y369-R371 HydrophobicContact CE1-CG 3.94Å | |||
| 370 | N | 45.2 | Very low | 42.3 | Very low | 167 Ų | 167 | 161.9 Ų | 161.9 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | trans | -91.7 | 123.1 | 160.3 | -90.1 | -40.9 | 0 | 0 | 0 | 108.1 | ||||
| 371 | R | 50 | Low | 42.3 | Very low | 211 Ų | 211 | 162.7 Ų | 162.7 | 80% | 0.796 | 83% | 0.827 | S | S | * | * | trans | -135.5 | 117.5 | 171.4 | -83 | -86.1 | -84 | -120.7 | -8.1 | 109.2 | Y369 | Y369-R371 HydrophobicContact CD1-CG 3.7Å; Y369-R371 HydrophobicContact CE1-CG 3.94Å | ||
| 372 | F | 47.3 | Very low | 42.6 | Very low | 209 Ų | 209 | 161.4 Ų | 161.4 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | trans | -82.4 | -178.4 | 171.9 | -112 | -96.1 | 0 | 0 | 0 | 111.1 | ||||
| 373 | A | 38.3 | Very low | 42.7 | Very low | 90 Ų | 90 | 167.8 Ų | 167.8 | 74% | 0.744 | 84% | 0.839 | S | S | * | * | trans | 87.5 | 157.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 374 | P | 57.6 | Low | 42.9 | Very low | 109 Ų | 109 | 170.8 Ų | 170.8 | 71% | 0.708 | 83% | 0.833 | S | S | * | * | -136.4 | 176.3 | -117.2 | 38.3 | -18.9 | 0 | 0 | 0 | 115.1 | |||||
| 375 | Y | 40.8 | Very low | 42.5 | Very low | 308 Ų | 308 | 171.9 Ų | 171.9 | 100% | 1.208 | 83% | 0.834 | S | S | * | * | trans | -155.5 | 0 | 149.6 | -100.2 | -68.7 | 0 | 0 | 0 | 110.3 |
Retrieved 375 of 375 residues in 174.7 ms
(Link to these results)