| 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 | 38 | Very low | 41.5 | Very low | 242 Ų | 242 | 187.5 Ų | 187.5 | 100% | 1.192 | 90% | 0.899 | S | S | * | * | 0 | 127.8 | 0 | -163.4 | -179.4 | -165 | 0 | 0 | 108.1 | |||||
| 2 | R | 44.9 | Very low | 41 | Very low | 236 Ų | 236 | 180.7 Ų | 180.7 | 89% | 0.891 | 89% | 0.886 | S | S | * | * | trans | 25.5 | 109.1 | 175.2 | -76.8 | -179.6 | 168.4 | 150.9 | -2.5 | 119.2 | ||||
| 3 | L | 37.3 | Very low | 40.4 | Very low | 165 Ų | 165 | 178.5 Ų | 178.5 | 86% | 0.864 | 88% | 0.88 | S | S | * | * | trans | -56.8 | 152.5 | 148.6 | -94.2 | 69.6 | 0 | 0 | 0 | 110.4 | ||||
| 4 | R | 51.3 | Low | 40 | Very low | 239 Ų | 239 | 179.7 Ų | 179.7 | 90% | 0.902 | 88% | 0.883 | S | S | * | * | trans | -127.8 | 92.2 | 164.8 | -86.6 | -178.2 | 163.8 | 170.3 | -3.8 | 110 | ||||
| 5 | T | 44.3 | Very low | 39.5 | Very low | 134 Ų | 134 | 177.4 Ų | 177.4 | 82% | 0.822 | 87% | 0.873 | S | S | * | * | trans | -66.2 | 146.2 | 159 | 42.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 6 | R | 50 | Low | 39.2 | Very low | 249 Ų | 249 | 178.4 Ų | 178.4 | 94% | 0.94 | 88% | 0.875 | S | S | * | * | trans | -114.3 | 136.8 | 164.6 | -84.5 | -173.7 | 166.5 | -177.9 | -4.2 | 109 | ||||
| 7 | K | 43.4 | Very low | 38.8 | Very low | 208 Ų | 208 | 175.1 Ų | 175.1 | 90% | 0.904 | 87% | 0.868 | S | S | * | * | trans | -90.2 | 143.7 | -172.7 | -170.5 | -179.9 | 177.1 | -178 | 0 | 109.8 | ||||
| 8 | A | 35.8 | Very low | 38.7 | Very low | 93 Ų | 93 | 176.2 Ų | 176.2 | 77% | 0.769 | 87% | 0.87 | S | S | * | * | trans | -66.8 | 156.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 9 | S | 39.3 | Very low | 38.4 | Very low | 123 Ų | 123 | 178.9 Ų | 178.9 | 86% | 0.86 | 87% | 0.87 | S | S | * | * | trans | -114.4 | 133.6 | 168 | -167.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 10 | Q | 37.6 | Very low | 38.2 | Very low | 179 Ų | 179 | 176.5 Ų | 176.5 | 84% | 0.836 | 87% | 0.866 | S | S | * | * | trans | -113.5 | 127 | 171.8 | -73.2 | 178.3 | -36 | 0 | 0 | 108.6 | ||||
| 11 | Q | 35.1 | Very low | 38 | Very low | 194 Ų | 194 | 173.1 Ų | 173.1 | 91% | 0.907 | 87% | 0.867 | S | S | * | * | trans | 166.2 | 142.9 | 155.9 | -96 | 162.6 | 13.5 | 0 | 0 | 107.4 | ||||
| 12 | S | 34.5 | Very low | 37.9 | Very low | 106 Ų | 106 | 173.2 Ų | 173.2 | 74% | 0.741 | 85% | 0.854 | S | S | * | * | cis | -156.6 | 149.7 | -13.3 | 43 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 13 | N | 33.5 | Very low | 37.5 | Very low | 152 Ų | 152 | 166.7 Ų | 166.7 | 81% | 0.813 | 85% | 0.85 | S | S | * | * | trans | -75.8 | 134.9 | 172.5 | -77 | -14.5 | 0 | 0 | 0 | 110.5 | ||||
| 14 | Q | 34.8 | Very low | 37.4 | Very low | 196 Ų | 196 | 167.3 Ų | 167.3 | 92% | 0.916 | 85% | 0.846 | S | S | * | * | trans | -129.6 | 128 | 143.9 | -76.5 | -162.1 | -9.5 | 0 | 0 | 109.7 | ||||
| 15 | I | 32.6 | Very low | 36.5 | Very low | 145 Ų | 145 | 167 Ų | 167 | 74% | 0.744 | 85% | 0.845 | S | S | * | * | trans | -104.6 | 131.4 | 173.1 | -63.6 | 168.1 | 0 | 0 | 0 | 106.1 | T17 | I15-T17 HydrophobicContact CG2-CG2 4.45Š| ||
| 16 | Q | 35.5 | Very low | 36 | Very low | 194 Ų | 194 | 170.6 Ų | 170.6 | 91% | 0.907 | 85% | 0.849 | S | S | * | * | trans | -137.6 | 96.8 | 165.7 | -152.6 | 171 | 42.3 | 0 | 0 | 111.3 | ||||
| 17 | T | 31.8 | Very low | 35.1 | Very low | 121 Ų | 121 | 168.1 Ų | 168.1 | 74% | 0.742 | 84% | 0.841 | S | S | * | * | trans | -83.7 | 129.6 | 170.6 | 40 | 0 | 0 | 0 | 0 | 110.4 | I15 | I15-T17 HydrophobicContact CG2-CG2 4.45Š| ||
| 18 | Q | 37.4 | Very low | 34.5 | Very low | 195 Ų | 195 | 163.8 Ų | 163.8 | 91% | 0.911 | 84% | 0.837 | S | S | * | * | trans | -136.3 | 171 | 151.8 | -77.3 | -151.2 | -0.7 | 0 | 0 | 110.6 | ||||
| 19 | R | 33.1 | Very low | 34.5 | Very low | 229 Ų | 229 | 166.9 Ų | 166.9 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | trans | -129 | 148.3 | -147.8 | -102.6 | -177.7 | 170.3 | 179.8 | -2.6 | 113.8 | ||||
| 20 | T | 33.7 | Very low | 34.3 | Very low | 129 Ų | 129 | 168.3 Ų | 168.3 | 79% | 0.791 | 84% | 0.838 | S | S | * | * | trans | 56.9 | 125.4 | 144.3 | 57.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 21 | A | 34.7 | Very low | 34.1 | Very low | 107 Ų | 107 | 166.8 Ų | 166.8 | 88% | 0.884 | 84% | 0.836 | S | S | * | * | trans | -139.3 | 153.6 | 136.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 22 | R | 35.6 | Very low | 34 | Very low | 243 Ų | 243 | 165 Ų | 165 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | trans | -153.9 | 115.7 | -172.3 | -175.7 | -172.8 | -173 | -167.7 | 5.9 | 112.6 | ||||
| 23 | A | 37.1 | Very low | 33.7 | Very low | 99 Ų | 99 | 163.7 Ų | 163.7 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -138.4 | 129.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 24 | K | 33.7 | Very low | 33.7 | Very low | 178 Ų | 178 | 164.4 Ų | 164.4 | 77% | 0.774 | 84% | 0.839 | S | S | * | * | cis | 85.9 | 90.7 | 43 | -79.1 | -166.4 | 171.3 | -179.7 | 0 | 114.9 | ||||
| 25 | R | 32.8 | Very low | 34.3 | Very low | 233 Ų | 233 | 160.8 Ų | 160.8 | 88% | 0.879 | 83% | 0.833 | S | S | * | * | trans | 55.9 | 132.8 | 139.4 | -58.3 | -178.7 | -179.3 | 174.9 | -2.5 | 119.7 | ||||
| 26 | K | 33.3 | Very low | 34.2 | Very low | 210 Ų | 210 | 159.5 Ų | 159.5 | 91% | 0.913 | 84% | 0.836 | S | S | * | * | -148.5 | 163.3 | 107.1 | -116.3 | -178.1 | 180 | -172.3 | 0 | 112.2 | |||||
| 27 | Y | 30.9 | Very low | 33.9 | Very low | 197 Ų | 197 | 154 Ų | 154 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | trans | -112.9 | 156.7 | 179 | -127.5 | -112.4 | 0 | 0 | 0 | 107.6 | ||||
| 28 | S | 31.6 | Very low | 33.7 | Very low | 116 Ų | 116 | 151.6 Ų | 151.6 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | -162.1 | 102.5 | 158.5 | 55 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 29 | E | 35.3 | Very low | 33.2 | Very low | 158 Ų | 158 | 152.1 Ų | 152.1 | 74% | 0.738 | 83% | 0.833 | S | S | * | * | trans | -81.6 | 148.5 | 156.6 | -65.2 | 145.5 | 111.8 | 0 | 0 | 109.2 | ||||
| 30 | V | 36.7 | Very low | 33.2 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 93% | 0.927 | 83% | 0.834 | S | S | * | * | trans | -144.3 | 153.5 | 147.6 | -165 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 31 | D | 33.3 | Very low | 33.8 | Very low | 148 Ų | 148 | 150.4 Ų | 150.4 | 79% | 0.791 | 83% | 0.834 | S | S | * | * | trans | -115.7 | -166.8 | -156.9 | -158 | -3.1 | 0 | 0 | 0 | 113.5 | ||||
| 32 | D | 32.1 | Very low | 33.6 | Very low | 156 Ų | 156 | 151 Ų | 151 | 83% | 0.834 | 83% | 0.831 | S | S | * | * | trans | 84.6 | 133.4 | 162.5 | -73.3 | -56.5 | 0 | 0 | 0 | 119.5 | ||||
| 33 | G | 28.2 | Very low | 33.6 | Very low | 78 Ų | 78 | 148.6 Ų | 148.6 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | 164 | 1.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 34 | L | 33.6 | Very low | 33.3 | Very low | 168 Ų | 168 | 151.7 Ų | 151.7 | 88% | 0.88 | 83% | 0.83 | S | S | * | * | trans | -75.7 | 139.9 | 175 | -89.5 | 169.8 | 0 | 0 | 0 | 112 | ||||
| 35 | P | 46.6 | Very low | 33.4 | Very low | 120 Ų | 120 | 152 Ų | 152 | 78% | 0.779 | 83% | 0.834 | S | S | * | * | -147.8 | 179 | 88.6 | 30.5 | -9.4 | 0 | 0 | 0 | 114.1 | |||||
| 36 | S | 31.4 | Very low | 33.4 | Very low | 118 Ų | 118 | 147.9 Ų | 147.9 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | cis | -170.7 | 153.5 | -27 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 37 | G | 28.3 | Very low | 33.3 | Very low | 78 Ų | 78 | 141.6 Ų | 141.6 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | 82.1 | 149.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 38 | G | 27.7 | Very low | 33.4 | Very low | 71 Ų | 71 | 140.1 Ų | 140.1 | 73% | 0.732 | 84% | 0.835 | S | S | * | * | cis | 176.7 | 162.6 | -4.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 39 | E | 28.4 | Very low | 33.5 | Very low | 205 Ų | 205 | 143 Ų | 143 | 96% | 0.958 | 84% | 0.84 | S | S | * | * | trans | 71.3 | 139 | 167.4 | -54.8 | -168.6 | 162.5 | 0 | 0 | 120.3 | ||||
| 40 | K | 31.9 | Very low | 33.3 | Very low | 203 Ų | 203 | 140.2 Ų | 140.2 | 88% | 0.883 | 84% | 0.838 | S | S | * | * | trans | -159.7 | 162.2 | 170.3 | -115.1 | -173.4 | -177.9 | -179.7 | 0 | 104.7 | ||||
| 41 | P | 47.1 | Very low | 32.9 | Very low | 120 Ų | 120 | 138 Ų | 138 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | cis | -129.5 | 178.2 | -11 | 40.8 | -26.3 | 0 | 0 | 0 | 112.7 | ||||
| 42 | S | 29.2 | Very low | 33 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | trans | -142.4 | 143.5 | 147.9 | 57.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 43 | K | 37.4 | Very low | 33.2 | Very low | 192 Ų | 192 | 141.2 Ų | 141.2 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | -91.3 | 149.7 | 164.3 | -65.6 | -177.3 | 177.5 | -174.1 | 0 | 108 | ||||
| 44 | N | 29.6 | Very low | 33.4 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 88% | 0.877 | 84% | 0.837 | S | S | * | * | -170.2 | 148.8 | 121.1 | -95.8 | -6 | 0 | 0 | 0 | 110.7 | |||||
| 45 | E | 35.7 | Very low | 33.3 | Very low | 184 Ų | 184 | 148.6 Ų | 148.6 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | trans | -83.9 | 146.8 | 169.8 | -60.4 | 166.6 | 122.6 | 0 | 0 | 109.8 | ||||
| 46 | T | 33.7 | Very low | 32.7 | Very low | 148 Ų | 148 | 150.8 Ų | 150.8 | 91% | 0.908 | 84% | 0.842 | S | S | * | * | trans | -164.3 | 133.1 | 136.2 | 3.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 47 | G | 31.5 | Very low | 32.6 | Very low | 77 Ų | 77 | 154.8 Ų | 154.8 | 79% | 0.794 | 85% | 0.845 | S | S | * | * | trans | -80.1 | 165.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 48 | L | 32.1 | Very low | 32.6 | Very low | 167 Ų | 167 | 154 Ų | 154 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | -143.7 | 100.2 | 166.8 | -113.4 | 168.9 | 0 | 0 | 0 | 110.2 | S50 | L48-S50 PolarHBondContact O-N 2.64Š| ||
| 49 | L | 34.5 | Very low | 32.7 | Very low | 176 Ų | 176 | 156.4 Ų | 156.4 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | trans | -70.9 | 112.3 | 167.4 | -73.4 | 167.9 | 0 | 0 | 0 | 109.1 | ||||
| 50 | S | 29.5 | Very low | 32.8 | Very low | 100 Ų | 100 | 153 Ų | 153 | 70% | 0.699 | 84% | 0.835 | S | S | * | * | trans | 169.2 | 166.4 | 141.4 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | L48 | L48-S50 PolarHBondContact O-N 2.64Š| ||
| 51 | S | 28.7 | Very low | 32.9 | Very low | 107 Ų | 107 | 149.5 Ų | 149.5 | 75% | 0.748 | 83% | 0.834 | S | S | * | * | trans | 79.9 | 57.8 | 149.8 | -52.7 | 0 | 0 | 0 | 0 | 119.6 | K53 | S51-K53 PolarHBondContact O-N 3.21Š| ||
| 52 | I | 35.3 | Very low | 32.2 | Very low | 177 Ų | 177 | 153.3 Ų | 153.3 | 91% | 0.908 | 84% | 0.838 | S | S | * | * | trans | -84.8 | 82.1 | 153.1 | -55.3 | -176.4 | 0 | 0 | 0 | 109.8 | ||||
| 53 | K | 37 | Very low | 32.2 | Very low | 194 Ų | 194 | 156.6 Ų | 156.6 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | trans | -147.1 | 91.3 | 162.3 | -93.7 | -167 | 177.2 | 177.8 | 0 | 110.7 | S51 | S51-K53 PolarHBondContact O-N 3.21Š| ||
| 54 | K | 33.1 | Very low | 31.7 | Very low | 192 Ų | 192 | 156.6 Ų | 156.6 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | trans | 178.3 | 115.7 | 157.1 | -99.9 | 152.9 | -168.5 | 173.1 | 0 | 110.2 | ||||
| 55 | F | 30.3 | Very low | 31.7 | Very low | 209 Ų | 209 | 160.1 Ų | 160.1 | 92% | 0.917 | 84% | 0.844 | S | S | * | * | -151.7 | 147.9 | 100.9 | -76.3 | -71.9 | 0 | 0 | 0 | 104.4 | |||||
| 56 | I | 33.9 | Very low | 31.3 | Very low | 165 Ų | 165 | 160.7 Ų | 160.7 | 85% | 0.846 | 85% | 0.846 | S | S | * | * | cis | -137.1 | 151.4 | 44.4 | -68.2 | 155.5 | 0 | 0 | 0 | 109.8 | ||||
| 57 | K | 30.3 | Very low | 31 | Very low | 203 Ų | 203 | 160.8 Ų | 160.8 | 88% | 0.883 | 84% | 0.841 | S | S | * | * | trans | -144.6 | 98.3 | 158.3 | -168.8 | 176.5 | -178.3 | 179.1 | 0 | 111.3 | ||||
| 58 | G | 28.5 | Very low | 31.4 | Very low | 62 Ų | 62 | 162.6 Ų | 162.6 | 64% | 0.639 | 84% | 0.839 | S | S | * | * | trans | -71.1 | 151.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 59 | S | 30.1 | Very low | 31.3 | Very low | 121 Ų | 121 | 160 Ų | 160 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | trans | -93.6 | 139.5 | -178 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 60 | T | 30.1 | Very low | 31.3 | Very low | 133 Ų | 133 | 161 Ų | 161 | 82% | 0.816 | 83% | 0.832 | S | S | * | * | trans | -120.8 | 139.2 | 168.1 | 47.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 61 | P | 34.5 | Very low | 31.3 | Very low | 130 Ų | 130 | 167.9 Ų | 167.9 | 84% | 0.844 | 84% | 0.843 | S | S | * | * | trans | -80.1 | 168.2 | 161.7 | 21.3 | -10.2 | 0 | 0 | 0 | 111.4 | ||||
| 62 | K | 31.8 | Very low | 31.3 | Very low | 199 Ų | 199 | 167.7 Ų | 167.7 | 87% | 0.865 | 84% | 0.842 | S | S | * | * | trans | -112.6 | 147.1 | 173.7 | -66.4 | 177.3 | 177.2 | 177.6 | 0 | 110.3 | ||||
| 63 | E | 28.6 | Very low | 31.1 | Very low | 188 Ų | 188 | 168.6 Ų | 168.6 | 88% | 0.879 | 83% | 0.834 | S | S | * | * | trans | 176.6 | 161.3 | 146.7 | -102.7 | 164.3 | -157 | 0 | 0 | 107.5 | ||||
| 64 | E | 27.2 | Very low | 30.8 | Very low | 192 Ų | 192 | 166.8 Ų | 166.8 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | -135 | -166.9 | -62.5 | -147.9 | 176.3 | -161.9 | 0 | 0 | 108.6 | |||||
| 65 | R | 30 | Very low | 30.7 | Very low | 239 Ų | 239 | 162.9 Ų | 162.9 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -90.9 | 139.3 | -173 | -66.6 | 171.3 | 169.7 | 166.9 | -4.8 | 112.4 | ||||
| 66 | E | 27.1 | Very low | 30.8 | Very low | 195 Ų | 195 | 164.7 Ų | 164.7 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | -163.1 | 166.4 | 126.2 | -119.1 | -180 | -169.1 | 0 | 0 | 114.6 | |||||
| 67 | N | 28.1 | Very low | 30.8 | Very low | 150 Ų | 150 | 163.2 Ų | 163.2 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -164.9 | 132.1 | -178.8 | -140.9 | -15.2 | 0 | 0 | 0 | 105.3 | ||||
| 68 | P | 39.9 | Very low | 31.1 | Very low | 115 Ų | 115 | 160.9 Ų | 160.9 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | -147.7 | 178.4 | 67.1 | 36.1 | -13.5 | 0 | 0 | 0 | 114.4 | |||||
| 69 | S | 30 | Very low | 31.4 | Very low | 114 Ų | 114 | 163.9 Ų | 163.9 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | 166.3 | -164.7 | 77.7 | 58 | 0 | 0 | 0 | 0 | 112 | |||||
| 70 | K | 32.8 | Very low | 31.5 | Very low | 196 Ų | 196 | 164 Ų | 164 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | trans | -117.4 | 164.9 | -164.5 | -59.1 | 177.1 | -179.2 | 177.1 | 0 | 113.8 | ||||
| 71 | R | 30.9 | Very low | 31.7 | Very low | 244 Ų | 244 | 163.8 Ų | 163.8 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | 87.1 | 154.4 | 173 | -62.6 | 178.2 | 170.4 | 172.8 | -3.8 | 115.3 | ||||
| 72 | S | 28.1 | Very low | 31.7 | Very low | 104 Ų | 104 | 164.5 Ų | 164.5 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | -168.2 | 151.2 | -22.7 | 50.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 73 | R | 30.2 | Very low | 31.7 | Very low | 196 Ų | 196 | 161.9 Ų | 161.9 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | trans | -10.4 | 134.8 | 158.7 | 176.4 | -176.3 | -176.5 | 176.4 | 7.1 | 118.8 | E75 | R73-E75 IonicContact CZ-OE1 3.55Å; R73-E75 IonicContact NE-OE1 3.72Å; R73-E75 IonicContact NE-OE2 2.68Å; R73-E75 IonicContact NH2-OE1 2.73Å; R73-E75 PolarHBondContact NH2-OE1 3.32Å; R73-E75 IonicContact NH2-OE2 3.7Å | ||
| 74 | I | 32.4 | Very low | 31.7 | Very low | 156 Ų | 156 | 158.5 Ų | 158.5 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | -168.5 | 148.8 | 127.6 | -102.1 | 159.5 | 0 | 0 | 0 | 111.3 | |||||
| 75 | E | 30.9 | Very low | 31.8 | Very low | 110 Ų | 110 | 154.3 Ų | 154.3 | 51% | 0.514 | 77% | 0.767 | S | S | . | * | trans | -80 | 160.1 | -178.3 | -57.1 | 91.4 | 151 | 0 | 0 | 114.7 | R73 | R73-E75 IonicContact CZ-OE1 3.55Å; R73-E75 IonicContact NE-OE1 3.72Å; R73-E75 IonicContact NE-OE2 2.68Å; R73-E75 IonicContact NH2-OE1 2.73Å; R73-E75 PolarHBondContact NH2-OE1 3.32Å; R73-E75 IonicContact NH2-OE2 3.7Å | ||
| 76 | R | 31.1 | Very low | 32 | Very low | 246 Ų | 246 | 149.3 Ų | 149.3 | 93% | 0.928 | 76% | 0.763 | S | S | * | * | -162.3 | 138.2 | 125.4 | -123.7 | 180 | -66.1 | 161.8 | 1 | 113.8 | |||||
| 77 | D | 34.5 | Very low | 32.7 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | -88.5 | 175.5 | 179.8 | -48.6 | -88.9 | 0 | 0 | 0 | 113.5 | ||||
| 78 | I | 36.1 | Very low | 32.9 | Very low | 154 Ų | 154 | 149.5 Ų | 149.5 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | -165.6 | 119 | 123.8 | -96.4 | 153.2 | 0 | 0 | 0 | 110.4 | |||||
| 79 | D | 34.8 | Very low | 32.5 | Very low | 124 Ų | 124 | 149.1 Ų | 149.1 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | trans | 28.8 | 137.5 | 145.4 | -38.8 | -34.6 | 0 | 0 | 0 | 121 | ||||
| 80 | N | 33.3 | Very low | 32.5 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | -166.7 | 148.1 | 51.6 | -92.4 | -82.5 | 0 | 0 | 0 | 113.4 | |||||
| 81 | N | 34 | Very low | 32.3 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | trans | 47.2 | 138 | 136.4 | -56.5 | -24.3 | 0 | 0 | 0 | 121 | ||||
| 82 | L | 34.4 | Very low | 32.6 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | cis | -172.1 | 178 | -4.3 | -143.6 | 54.7 | 0 | 0 | 0 | 105.9 | ||||
| 83 | I | 32.4 | Very low | 33.3 | Very low | 144 Ų | 144 | 146 Ų | 146 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | cis | -145 | 149.4 | 11.9 | -38 | 163.9 | 0 | 0 | 0 | 111.1 | ||||
| 84 | T | 28.1 | Very low | 33.2 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | trans | -28.8 | 156.3 | 148.5 | -15 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 85 | S | 29 | Very low | 33.4 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | cis | -163.9 | 161.8 | 36.7 | -41.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 86 | T | 34.2 | Very low | 33.4 | Very low | 134 Ų | 134 | 147.3 Ų | 147.3 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -126.9 | 163.1 | 153.5 | 60.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 87 | P | 41.5 | Very low | 33.6 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | -159 | 155.3 | 107.7 | 39.4 | -20 | 0 | 0 | 0 | 119.4 | |||||
| 88 | R | 32.6 | Very low | 33.4 | Very low | 237 Ų | 237 | 140.6 Ų | 140.6 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | trans | 41.9 | 118.2 | 136.7 | -63.9 | -178.4 | 172.2 | -177.3 | -2.8 | 124.3 | ||||
| 89 | A | 31.4 | Very low | 33.3 | Very low | 107 Ų | 107 | 143.7 Ų | 143.7 | 88% | 0.884 | 77% | 0.773 | S | S | * | * | 51.9 | 141.1 | 113.9 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 90 | G | 29 | Very low | 33.1 | Very low | 75 Ų | 75 | 145.1 Ų | 145.1 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 97.1 | 146.3 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 91 | E | 29.7 | Very low | 32.9 | Very low | 196 Ų | 196 | 149.4 Ų | 149.4 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | cis | -148.8 | -175.3 | -7.1 | -65 | -170.8 | 121.1 | 0 | 0 | 109.5 | ||||
| 92 | K | 36.3 | Very low | 32.8 | Very low | 198 Ų | 198 | 155.5 Ų | 155.5 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -114.8 | 145.8 | 165.1 | -68.8 | -178.4 | 178.4 | 176.8 | 0 | 109 | ||||
| 93 | P | 42.8 | Very low | 32.6 | Very low | 123 Ų | 123 | 155.8 Ų | 155.8 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | -153.2 | 146.1 | 99.8 | 36.9 | -18.8 | 0 | 0 | 0 | 118.3 | |||||
| 94 | N | 29.5 | Very low | 32.5 | Very low | 130 Ų | 130 | 154.8 Ų | 154.8 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | trans | 46.7 | 127.5 | 132.2 | -164.1 | 19.7 | 0 | 0 | 0 | 122.3 | ||||
| 95 | K | 35.1 | Very low | 32.7 | Very low | 205 Ų | 205 | 155.7 Ų | 155.7 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -152 | 149.8 | 143.5 | -126.6 | 172.4 | -171.2 | 175 | 0 | 114 | ||||
| 96 | Q | 31.4 | Very low | 32.9 | Very low | 154 Ų | 154 | 156.2 Ų | 156.2 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -146.5 | 176.6 | 179.5 | -50.2 | -172.1 | 11.1 | 0 | 0 | 108.4 | ||||
| 97 | I | 34.8 | Very low | 32.7 | Very low | 120 Ų | 120 | 157.1 Ų | 157.1 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | cis | -149.9 | 153.4 | 7.9 | -160.9 | 172.1 | 0 | 0 | 0 | 110.7 | ||||
| 98 | S | 31.1 | Very low | 32.1 | Very low | 121 Ų | 121 | 154.6 Ų | 154.6 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -149.4 | 149.3 | 149.3 | 67.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 99 | R | 33 | Very low | 32 | Very low | 218 Ų | 218 | 153.2 Ų | 153.2 | 82% | 0.823 | 80% | 0.8 | S | S | * | * | trans | -127.2 | 142.3 | -175.5 | -70.9 | 168.3 | 163.3 | 158.6 | -7.7 | 109.4 | ||||
| 100 | V | 31.4 | Very low | 31.9 | Very low | 155 Ų | 155 | 153.1 Ų | 153.1 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | trans | -130.4 | 145.2 | 146.3 | 180 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 101 | R | 29.6 | Very low | 31.9 | Very low | 214 Ų | 214 | 153.2 Ų | 153.2 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | -133.9 | 122.1 | -167.7 | 173.9 | -164.6 | -172.6 | -163.4 | 6.4 | 109.1 | ||||
| 102 | R | 31.9 | Very low | 31.8 | Very low | 256 Ų | 256 | 149.3 Ų | 149.3 | 97% | 0.966 | 79% | 0.794 | S | S | * | * | trans | -130.5 | 148.5 | 152.7 | -77.6 | -166.6 | 173.2 | 179.9 | -1.1 | 109.3 | ||||
| 103 | K | 30.6 | Very low | 31.6 | Very low | 151 Ų | 151 | 150.6 Ų | 150.6 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | trans | -148.2 | 128 | -170.6 | -170.2 | -157.8 | -168.8 | -153.7 | 0 | 108 | ||||
| 104 | S | 29.9 | Very low | 30.9 | Very low | 123 Ų | 123 | 153.5 Ų | 153.5 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -143 | 160.1 | 161.9 | 38.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 105 | Q | 32.6 | Very low | 30.8 | Very low | 135 Ų | 135 | 155.8 Ų | 155.8 | 63% | 0.631 | 81% | 0.807 | S | S | * | * | trans | -150.7 | 164.7 | -160.9 | -106.1 | -176.3 | -90.9 | 0 | 0 | 109.5 | ||||
| 106 | V | 33.7 | Very low | 30.5 | Very low | 117 Ų | 117 | 151.7 Ų | 151.7 | 71% | 0.709 | 80% | 0.799 | S | S | * | * | trans | 70.4 | 134.7 | 153.3 | 153.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 107 | N | 29 | Very low | 30.3 | Very low | 153 Ų | 153 | 152 Ų | 152 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | cis | -141.5 | 179.4 | 0 | -103.6 | -4.9 | 0 | 0 | 0 | 107.5 | ||||
| 108 | G | 28.9 | Very low | 30 | Very low | 59 Ų | 59 | 155.5 Ų | 155.5 | 61% | 0.608 | 82% | 0.819 | S | S | * | * | cis | 155.5 | 176.9 | -0.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 109 | E | 30.8 | Very low | 29.8 | Very low | 208 Ų | 208 | 158.3 Ų | 158.3 | 97% | 0.972 | 82% | 0.818 | S | S | * | * | trans | 71.4 | 160.5 | 172.5 | -55.1 | -167.3 | 154.5 | 0 | 0 | 118.7 | ||||
| 110 | A | 29.9 | Very low | 29.6 | Very low | 105 Ų | 105 | 154.5 Ų | 154.5 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | trans | -146.1 | 155.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 111 | G | 28.4 | Very low | 29.4 | Very low | 76 Ų | 76 | 156 Ų | 156 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | -138.9 | 132 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 112 | S | 27.8 | Very low | 29.4 | Very low | 115 Ų | 115 | 155.1 Ų | 155.1 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -97.5 | 151.2 | 173.2 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 113 | Y | 30.6 | Very low | 29 | Very low | 225 Ų | 225 | 150.9 Ų | 150.9 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | trans | -150.3 | 123.6 | 159.6 | 51 | -88.7 | 0 | 0 | 0 | 111.6 | ||||
| 114 | E | 28.1 | Very low | 28.9 | Very low | 184 Ų | 184 | 147.4 Ų | 147.4 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -109.7 | 151.8 | 163 | -62.6 | -179.6 | 117.9 | 0 | 0 | 108.5 | ||||
| 115 | M | 29 | Very low | 28.7 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | 148.9 | 142.7 | 159.6 | -91.5 | -172.7 | 167.2 | 0 | 0 | 110 | ||||
| 116 | T | 28.2 | Very low | 28.5 | Very low | 119 Ų | 119 | 150.6 Ų | 150.6 | 73% | 0.73 | 82% | 0.824 | S | S | * | * | cis | -157.9 | 156.8 | -12.9 | -1.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 117 | N | 27.2 | Very low | 28.1 | Very low | 161 Ų | 161 | 154.4 Ų | 154.4 | 86% | 0.861 | 83% | 0.834 | S | S | * | * | trans | -82.1 | 146.1 | 164.6 | -79.4 | -43 | 0 | 0 | 0 | 111.7 | ||||
| 118 | Q | 28.2 | Very low | 28 | Very low | 192 Ų | 192 | 153.9 Ų | 153.9 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | -140.5 | 142.9 | 157.4 | -75.8 | -165.4 | -6.3 | 0 | 0 | 111.7 | ||||
| 119 | H | 27 | Very low | 27.9 | Very low | 180 Ų | 180 | 158.7 Ų | 158.7 | 83% | 0.833 | 84% | 0.843 | S | S | * | * | trans | -102.2 | 144 | 175.7 | -99.6 | -77.8 | 0 | 0 | 0 | 110.7 | ||||
| 120 | V | 28.7 | Very low | 28.4 | Very low | 138 Ų | 138 | 154.2 Ų | 154.2 | 84% | 0.836 | 83% | 0.832 | S | S | * | * | trans | -135.1 | 144.6 | 155 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 121 | K | 27.8 | Very low | 28.1 | Very low | 188 Ų | 188 | 154.5 Ų | 154.5 | 82% | 0.817 | 83% | 0.827 | S | S | * | * | trans | -122.6 | 151.5 | 169.8 | -74.8 | -174.8 | 174.3 | -174.5 | 0 | 109.1 | ||||
| 122 | Q | 28.8 | Very low | 28.1 | Very low | 194 Ų | 194 | 156.1 Ų | 156.1 | 91% | 0.907 | 83% | 0.827 | S | S | * | * | trans | -148.4 | 156.8 | 153.8 | -117.9 | 174.5 | 3.6 | 0 | 0 | 111.3 | ||||
| 123 | N | 24.7 | Very low | 28.6 | Very low | 167 Ų | 167 | 154.7 Ų | 154.7 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | trans | -104.8 | 145.2 | -179.7 | -81.5 | -1.9 | 0 | 0 | 0 | 110.8 | ||||
| 124 | G | 28.2 | Very low | 28.5 | Very low | 79 Ų | 79 | 149.1 Ų | 149.1 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | -137 | 160.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 125 | K | 26.2 | Very low | 28.7 | Very low | 189 Ų | 189 | 145.8 Ų | 145.8 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -150.8 | 127.4 | -167.4 | -178.1 | -167.3 | 172 | -165.6 | 0 | 112.5 | ||||
| 126 | L | 27.6 | Very low | 29.1 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 71% | 0.707 | 81% | 0.811 | S | S | * | * | trans | 36.5 | 132.7 | 156.9 | -71.3 | 157.7 | 0 | 0 | 0 | 119.8 | ||||
| 127 | E | 25.8 | Very low | 29.4 | Very low | 198 Ų | 198 | 145.9 Ų | 145.9 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | -155.1 | 166.1 | 101.7 | -75.1 | -134.8 | 137.6 | 0 | 0 | 109.5 | |||||
| 128 | D | 25.7 | Very low | 29.9 | Very low | 141 Ų | 141 | 144.7 Ų | 144.7 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | trans | -138.7 | 144.5 | -166.8 | -125.9 | -31.4 | 0 | 0 | 0 | 111.2 | ||||
| 129 | N | 27.1 | Very low | 30.7 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -171 | 155.5 | 154.4 | -104.4 | -46.6 | 0 | 0 | 0 | 112.5 | ||||
| 130 | P | 41.8 | Very low | 31.7 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | trans | -108.6 | 159.7 | -153.1 | 40.1 | -37.3 | 0 | 0 | 0 | 116.6 | ||||
| 131 | S | 24.3 | Very low | 32.4 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -158.3 | 146.9 | 156.1 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 132 | S | 26.5 | Very low | 33.6 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | trans | 45.6 | 115.1 | 160.2 | 53.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 133 | G | 40 | Very low | 35.2 | Very low | 84 Ų | 84 | 116.9 Ų | 116.9 | 87% | 0.866 | 69% | 0.692 | S | S | * | * | trans | -75.4 | 161.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 134 | S | 27.4 | Very low | 37.4 | Very low | 108 Ų | 108 | 109 Ų | 109 | 76% | 0.755 | 65% | 0.65 | S | S | * | * | trans | -143.7 | 154.6 | 175.7 | 53.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 135 | P | 31.8 | Very low | 39.7 | Very low | 114 Ų | 114 | 106.8 Ų | 106.8 | 74% | 0.74 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 158.9 | -172 | 25.8 | -35 | 0 | 0 | 0 | 113.4 | R137 | P135-R137 PolarHBondContact O-N 3.25Š|
| 136 | P | 37.4 | Very low | 41.3 | Very low | 113 Ų | 113 | 98.7 Ų | 98.7 | 73% | 0.734 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 131.7 | -172.7 | 22.5 | -33.4 | 0 | 0 | 0 | 113 | T138 | P136-T138 PolarHBondContact O-N 2.84Š|
| 137 | R | 34.8 | Very low | 42.6 | Very low | 186 Ų | 186 | 94.7 Ų | 94.7 | 70% | 0.702 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -66 | 125.7 | -172.1 | -66.3 | 168 | 171.2 | 151.8 | -20.9 | 112.3 | P135 T139 E173 | P135-R137 PolarHBondContact O-N 3.25Å; R137-T139 PolarHBondContact O-N 3.48Å; R137-E173 IonicContact CZ-OE1 3.15Å; R137-E173 VanDerWaalsContact CZ-OE1 3.23Å; R137-E173 IonicContact NH1-OE1 3.77Å; R137-E173 PolarHBondContact NH1-OE1 2.91Å; R137-E173 IonicContact NH2-OE1 2.94Å; R137-E173 PolarHBondContact NH2-OE1 3.47Å |
| 138 | T | 38.6 | Very low | 43.3 | Very low | 136 Ų | 136 | 86.5 Ų | 86.5 | 83% | 0.834 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 120.2 | 162.6 | 52.9 | 0 | 0 | 0 | 0 | 109.8 | P136 L140 | P136-T138 PolarHBondContact O-N 2.84Å; T138-L140 PolarHBondContact O-N 3.21Å |
| 139 | T | 44.6 | Very low | 44.1 | Very low | 87 Ų | 87 | 85.6 Ų | 85.6 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -68 | 134.6 | 174.3 | 54.6 | 0 | 0 | 0 | 0 | 110.2 | R137 L141 G142 | R137-T139 PolarHBondContact O-N 3.48Å; T139-L141 PolarHBondContact O-N 2.77Å; T139-G142 PolarHBondContact O-N 3.36Å |
| 140 | L | 47.3 | Very low | 44.4 | Very low | 81 Ų | 81 | 83.8 Ų | 83.8 | 42% | 0.424 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -53.5 | -28.5 | -175.7 | -160.1 | 68.7 | 0 | 0 | 0 | 112.9 | T138 G142 T143 | T138-L140 PolarHBondContact O-N 3.21Å; L140-G142 VanDerWaalsContact C-N 3.29Å; L140-G142 PolarHBondContact O-N 2.87Å; L140-T143 WeakPolarHBondContact O-CB 3.3Å; L140-T143 PolarHBondContact O-N 2.68Å; L140-T143 PolarHBondContact O-OG1 2.91Å |
| 141 | L | 44.8 | Very low | 44 | Very low | 80 Ų | 80 | 86.4 Ų | 86.4 | 42% | 0.419 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -49 | -41.9 | 174 | -56.5 | 174.5 | 0 | 0 | 0 | 113.5 | T139 T143 I144 L303 Y322 | T139-L141 PolarHBondContact O-N 2.77Å; L141-T143 PolarHBondContact O-N 3.25Å; L141-T143 VanDerWaalsContact O-N 3.1Å; L141-I144 PolarHBondContact O-N 3.13Å; L141-L303 HydrophobicContact CB-CD1 4.01Å; L141-L303 HydrophobicContact CD2-CD1 3.65Å; L141-L303 HydrophobicContact CG-CD1 4.41Å; L141-Y322 HydrophobicContact CD2-CD1 3.96Å; L141-Y322 HydrophobicContact CD2-CE1 3.58Å |
| 142 | G | 51.8 | Low | 44.2 | Very low | 21 Ų | 21 | 89.3 Ų | 89.3 | 22% | 0.216 | 51% | 0.51 | C | S | . | . | G | 310 helix | trans | -68.5 | -4.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T139 L140 | T139-G142 PolarHBondContact O-N 3.36Å; L140-G142 VanDerWaalsContact C-N 3.29Å; L140-G142 PolarHBondContact O-N 2.87Å |
| 143 | T | 63.2 | Low | 44.1 | Very low | 40 Ų | 40 | 89.6 Ų | 89.6 | 25% | 0.245 | 51% | 0.512 | C | S | . | . | G | 310 helix | trans | -83.4 | -19.9 | -178.2 | -43.1 | 0 | 0 | 0 | 0 | 112.6 | L140 L141 F317 K352 R376 | L140-T143 WeakPolarHBondContact O-CB 3.3Å; L140-T143 PolarHBondContact O-N 2.68Å; L140-T143 PolarHBondContact O-OG1 2.91Å; L141-T143 PolarHBondContact O-N 3.25Å; L141-T143 VanDerWaalsContact O-N 3.1Å; T143-F317 HydrophobicContact CG2-CE1 4.04Å; T143-F317 HydrophobicContact CG2-CZ 3.86Å; T143-K352 WeakPolarHBondContact O-CE 3.49Å; T143-K352 WeakPolarHBondContact O-CG 3.29Å; T143-R376 PolarHBondContact O-NH1 3.46Å |
| 144 | I | 70.8 | Confident | 43.5 | Very low | 0 Ų | 0 | 91.5 Ų | 91.5 | 0% | 0 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -55 | -173.4 | -59.4 | 178.2 | 0 | 0 | 0 | 111.7 | L141 F317 Y322 K352 Y355 | L141-I144 PolarHBondContact O-N 3.13Å; I144-F317 HydrophobicContact CD1-CB 4.01Å; I144-F317 HydrophobicContact CD1-CD1 3.74Å; I144-F317 HydrophobicContact CD1-CG 4.11Å; I144-F317 HydrophobicContact CG1-CB 4.39Å; I144-F317 HydrophobicContact CG1-CD1 3.49Å; I144-F317 VanDerWaalsContact CG1-CD1 3.49Å; I144-F317 HydrophobicContact CG1-CE1 3.87Å; I144-F317 HydrophobicContact CG1-CG 3.98Å; I144-Y322 HydrophobicContact CD1-CD1 4.45Å; I144-Y322 HydrophobicContact CD1-CD2 3.45Å; I144-Y322 VanDerWaalsContact CD1-CD2 3.45Å; I144-Y322 HydrophobicContact CD1-CE2 3.84Å; I144-Y322 HydrophobicContact CD1-CG 3.78Å; I144-K352 PolarHBondContact O-N 3.33Å; I144-Y355 HydrophobicContact CG2-CD1 4.42Å; I144-Y355 HydrophobicContact CG2-CG 4.09Å |
| 145 | F | 76.3 | Confident | 43.6 | Very low | 33 Ų | 33 | 90.4 Ų | 90.4 | 15% | 0.145 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -80.5 | 166.5 | 173.8 | -52.7 | -43 | 0 | 0 | 0 | 111.4 | C301 L303 V324 S351 Y355 R376 | F145-C301 HydrophobicContact CD1-CB 4.26Å; F145-C301 HydrophobicContact CE1-CB 3.75Å; F145-C301 HydrophobicContact CE2-CB 4.42Å; F145-C301 HydrophobicContact CZ-CB 3.84Å; F145-L303 HydrophobicContact CE2-CD2 3.9Å; F145-L303 HydrophobicContact CE2-CG 3.74Å; F145-L303 HydrophobicContact CZ-CD2 3.62Å; F145-L303 HydrophobicContact CZ-CG 4.01Å; F145-V324 HydrophobicContact CE1-CG1 4.13Å; F145-V324 HydrophobicContact CE1-CG2 4.42Å; F145-V324 HydrophobicContact CZ-CG1 4.01Å; F145-V324 HydrophobicContact CZ-CG2 4.35Å; F145-S351 WeakPolarHBondContact CA-OG 3.46Å; F145-Y355 AromaticContact CD1-CD1 3.81Å; F145-Y355 HydrophobicContact CD1-CD1 3.81Å; F145-Y355 HydrophobicContact CD1-CD2 4.38Å; F145-Y355 AromaticContact CD1-CE1 3.67Å; F145-Y355 HydrophobicContact CD1-CE1 3.67Å; F145-Y355 HydrophobicContact CD1-CE2 4.26Å; F145-Y355 HydrophobicContact CD1-CG 4.19Å; F145-Y355 AromaticContact CD1-CZ 3.92Å; F145-Y355 HydrophobicContact CE1-CD1 4.17Å; F145-Y355 AromaticContact CE1-CD2 3.9Å; F145-Y355 HydrophobicContact CE1-CD2 3.9Å; F145-Y355 HydrophobicContact CE1-CE1 4.07Å; F145-Y355 AromaticContact CE1-CE2 3.8Å; F145-Y355 HydrophobicContact CE1-CE2 3.8Å; F145-Y355 HydrophobicContact CE1-CG 4.11Å; F145-Y355 AromaticContact CE1-CZ 3.9Å; F145-R376 PolarHBondContact O-NH2 2.81Å |
| 146 | S | 60.3 | Low | 43.6 | Very low | 20 Ų | 20 | 93.1 Ų | 93.1 | 14% | 0.14 | 51% | 0.514 | C | S | . | . | trans | -46.5 | 136.6 | 169.5 | -172.4 | 0 | 0 | 0 | 0 | 111 | V148 S351 | S146-V148 PolarHBondContact O-N 3.03Å; S146-V148 VanDerWaalsContact O-N 3.16Å; S146-S351 PolarHBondContact N-OG 3.2Å | ||
| 147 | P | 53.5 | Low | 43.4 | Very low | 51 Ų | 51 | 97.2 Ų | 97.2 | 33% | 0.331 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -70.1 | -7.6 | 179 | -15.3 | 29.7 | 0 | 0 | 0 | 114.1 | F149 Y386 | P147-F149 PolarHBondContact O-N 2.91Å; P147-Y386 HydrophobicContact CG-CD2 3.66Å; P147-Y386 HydrophobicContact CG-CE2 3.55Å |
| 148 | V | 42.4 | Very low | 43.2 | Very low | 26 Ų | 26 | 96.1 Ų | 96.1 | 16% | 0.158 | 53% | 0.529 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 115.7 | -167.7 | -172.5 | 0 | 0 | 0 | 0 | 109.6 | S146 S406 | S146-V148 PolarHBondContact O-N 3.03Å; S146-V148 VanDerWaalsContact O-N 3.16Å; V148-S406 WeakPolarHBondContact CG1-OG 3.38Å |
| 149 | F | 40.8 | Very low | 42.7 | Very low | 121 Ų | 121 | 93.1 Ų | 93.1 | 53% | 0.531 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 49.6 | -178.3 | -58 | -65.9 | 0 | 0 | 0 | 118.8 | P147 F151 | P147-F149 PolarHBondContact O-N 2.91Å; F149-F151 PolarHBondContact O-N 3Å |
| 150 | N | 34.1 | Very low | 41.8 | Very low | 123 Ų | 123 | 95.9 Ų | 95.9 | 66% | 0.658 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 9.6 | 162.5 | -126 | 5.4 | 0 | 0 | 0 | 114.6 | ||
| 151 | F | 32.7 | Very low | 41.1 | Very low | 168 Ų | 168 | 98 Ų | 98 | 74% | 0.737 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | -7.9 | -161.7 | -120.8 | -87.9 | 0 | 0 | 0 | 117.4 | F149 | F149-F151 PolarHBondContact O-N 3Š|
| 152 | F | 29.6 | Very low | 40.2 | Very low | 173 Ų | 173 | 97.4 Ų | 97.4 | 76% | 0.759 | 58% | 0.577 | S | S | * | * | trans | -134.2 | 74.8 | 179.5 | -71.8 | -70.7 | 0 | 0 | 0 | 113.6 | P154 | F152-P154 WeakPolarHBondContact O-CD 3.31Š| ||
| 153 | S | 24.3 | Very low | 39.2 | Very low | 117 Ų | 117 | 102.4 Ų | 102.4 | 82% | 0.818 | 61% | 0.608 | S | S | * | * | trans | -100.4 | 102.7 | 152.7 | -80.1 | 0 | 0 | 0 | 0 | 109.3 | A155 | S153-A155 PolarHBondContact O-N 2.88Š| ||
| 154 | P | 27.1 | Very low | 37.6 | Very low | 123 Ų | 123 | 107.9 Ų | 107.9 | 80% | 0.799 | 64% | 0.637 | S | S | * | * | trans | -73.7 | 77.4 | 173.5 | 31.3 | -34.4 | 0 | 0 | 0 | 110 | F152 N156 | F152-P154 WeakPolarHBondContact O-CD 3.31Å; P154-N156 PolarHBondContact O-N 2.92Å | ||
| 155 | A | 30.6 | Very low | 35.5 | Very low | 86 Ų | 86 | 113.9 Ų | 113.9 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | trans | -60 | 129.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S153 K157 | S153-A155 PolarHBondContact O-N 2.88Å; A155-K157 PolarHBondContact O-N 2.89Å | ||
| 156 | N | 30.3 | Very low | 33.6 | Very low | 170 Ų | 170 | 118.5 Ų | 118.5 | 91% | 0.909 | 71% | 0.712 | S | S | * | * | trans | -57.4 | 96.8 | -172.8 | -82.3 | -35.1 | 0 | 0 | 0 | 113.2 | P154 N158 | P154-N156 PolarHBondContact O-N 2.92Å; N156-N158 PolarHBondContact O-N 2.86Å | ||
| 157 | K | 34.7 | Very low | 32.3 | Very low | 199 Ų | 199 | 121 Ų | 121 | 87% | 0.865 | 74% | 0.74 | S | S | * | * | trans | -88 | 80.6 | 162.6 | -75.1 | -172.1 | 176.5 | 179.4 | 0 | 110.2 | A155 | A155-K157 PolarHBondContact O-N 2.89Š| ||
| 158 | N | 30.3 | Very low | 31.4 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -170.1 | 89.1 | 159.1 | -98.4 | -27.2 | 0 | 0 | 0 | 112.9 | N156 | N156-N158 PolarHBondContact O-N 2.86Š|
| 159 | G | 27.4 | Very low | 30.9 | Very low | 74 Ų | 74 | 130.2 Ų | 130.2 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | 71.6 | 147.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 160 | T | 26.4 | Very low | 30.6 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | cis | -147.7 | 159.6 | 9 | -52.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 161 | S | 32.7 | Very low | 30.7 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -52.4 | 141.4 | -170.3 | -40.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 162 | G | 25.8 | Very low | 30.8 | Very low | 68 Ų | 68 | 127.6 Ų | 127.6 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -175.5 | 97.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 163 | S | 29.6 | Very low | 31.1 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | trans | 51.2 | 114 | 161.6 | 57.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 164 | D | 30.1 | Very low | 31.6 | Very low | 156 Ų | 156 | 126 Ų | 126 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -75.5 | 154.2 | 166.5 | -61 | -75.1 | 0 | 0 | 0 | 114.3 | ||||
| 165 | S | 27.6 | Very low | 32.2 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -161.1 | 95.3 | 153.5 | -80 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 166 | P | 35.9 | Very low | 32.7 | Very low | 131 Ų | 131 | 125.6 Ų | 125.6 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | -85.9 | 127.8 | -179.3 | 32.5 | -32.4 | 0 | 0 | 0 | 111.7 | ||||
| 167 | G | 32.2 | Very low | 33 | Very low | 71 Ų | 71 | 126.9 Ų | 126.9 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | trans | 177.8 | 43 | -178.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 168 | Q | 34.4 | Very low | 33 | Very low | 193 Ų | 193 | 125.4 Ų | 125.4 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -155.8 | 5.2 | 173.2 | -134.7 | 157.7 | 80.9 | 0 | 0 | 116.7 | ||
| 169 | A | 33.2 | Very low | 33.3 | Very low | 78 Ų | 78 | 124.1 Ų | 124.1 | 65% | 0.645 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -96.8 | -23.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 170 | V | 33.6 | Very low | 33.7 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -81.6 | -22.7 | -167.3 | -68.5 | 0 | 0 | 0 | 0 | 114.9 | A172 | V170-A172 VanDerWaalsContact C-N 3.34Š|
| 171 | E | 37.4 | Very low | 34.4 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -16.4 | -176.6 | -162.1 | 166.1 | -162.2 | 0 | 0 | 112.6 | ||
| 172 | A | 33.3 | Very low | 34.4 | Very low | 67 Ų | 67 | 132 Ų | 132 | 55% | 0.554 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -16.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V170 | V170-A172 VanDerWaalsContact C-N 3.34Š|
| 173 | E | 36.1 | Very low | 34.8 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 47% | 0.472 | 76% | 0.757 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.1 | -28.4 | -176.1 | -67.1 | -152.5 | 82.9 | 0 | 0 | 114.1 | R137 | R137-E173 IonicContact CZ-OE1 3.15Å; R137-E173 VanDerWaalsContact CZ-OE1 3.23Å; R137-E173 IonicContact NH1-OE1 3.77Å; R137-E173 PolarHBondContact NH1-OE1 2.91Å; R137-E173 IonicContact NH2-OE1 2.94Å; R137-E173 PolarHBondContact NH2-OE1 3.47Å |
| 174 | E | 35.4 | Very low | 34.9 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 73% | 0.729 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -35 | -172.9 | -166.8 | 163.6 | -153.5 | 0 | 0 | 112.4 | V176 K177 | E174-V176 VanDerWaalsContact C-N 3.29Å; E174-V176 PolarHBondContact O-N 2.84Å; E174-K177 PolarHBondContact O-N 2.79Å |
| 175 | I | 39.9 | Very low | 34.9 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 60% | 0.595 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -64.1 | -33 | -179 | -59.7 | 173.9 | 0 | 0 | 0 | 111.9 | K177 | I175-K177 VanDerWaalsContact C-N 3.28Å; I175-K177 PolarHBondContact O-N 3.43Å |
| 176 | V | 40.3 | Very low | 34.9 | Very low | 85 Ų | 85 | 141 Ų | 141 | 52% | 0.515 | 75% | 0.752 | S | S | . | * | G | 310 helix | trans | -69.5 | -23.9 | -175.1 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | E174 Q178 | E174-V176 VanDerWaalsContact C-N 3.29Å; E174-V176 PolarHBondContact O-N 2.84Å; V176-Q178 VanDerWaalsContact C-N 3.28Å; V176-Q178 PolarHBondContact O-N 3.34Å |
| 177 | K | 36.8 | Very low | 34.6 | Very low | 196 Ų | 196 | 142.4 Ų | 142.4 | 85% | 0.852 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -73.3 | -8.1 | -175.6 | -93.8 | -175.9 | 175.1 | 177.5 | 0 | 115.7 | E174 I175 | E174-K177 PolarHBondContact O-N 2.79Å; I175-K177 VanDerWaalsContact C-N 3.28Å; I175-K177 PolarHBondContact O-N 3.43Å |
| 178 | Q | 35.2 | Very low | 34.3 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -113.3 | 2 | -171.1 | -63 | -169.4 | 13.4 | 0 | 0 | 115.6 | V176 | V176-Q178 VanDerWaalsContact C-N 3.28Å; V176-Q178 PolarHBondContact O-N 3.34Å |
| 179 | L | 35.9 | Very low | 34 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | -19.5 | -171.5 | -66.4 | 174.2 | 0 | 0 | 0 | 115.9 | M181 | L179-M181 PolarHBondContact O-N 2.93Š|
| 180 | D | 35.5 | Very low | 33.7 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 45 | -178.6 | -77.6 | -20 | 0 | 0 | 0 | 113.7 | ||
| 181 | M | 40.7 | Very low | 33.5 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.6 | 23 | 173.1 | -145.1 | -179.7 | 72.8 | 0 | 0 | 115.9 | L179 | L179-M181 PolarHBondContact O-N 2.93Š|
| 182 | E | 34.7 | Very low | 33 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -154.3 | 82.7 | 169.3 | -136.7 | 170.8 | -127.9 | 0 | 0 | 114.7 | ||||
| 183 | Q | 33.5 | Very low | 32.7 | Very low | 197 Ų | 197 | 145.1 Ų | 145.1 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -172.5 | 96.6 | 142.8 | -108.2 | 152.6 | 101.8 | 0 | 0 | 112.8 | ||||
| 184 | V | 32.3 | Very low | 32.4 | Very low | 131 Ų | 131 | 145 Ų | 145 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -127 | 141.3 | 155.2 | 178.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 185 | D | 29 | Very low | 32 | Very low | 151 Ų | 151 | 143 Ų | 143 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | 58.2 | 108.4 | -178.8 | -59.7 | -31.9 | 0 | 0 | 0 | 117.5 | ||||
| 186 | E | 27.8 | Very low | 31.5 | Very low | 187 Ų | 187 | 145.1 Ų | 145.1 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | -156.4 | 140.8 | 98.4 | -139.2 | -177.2 | -178.1 | 0 | 0 | 112.6 | |||||
| 187 | I | 28.7 | Very low | 30.9 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 82% | 0.821 | 80% | 0.804 | S | S | * | * | trans | -116.5 | 116.2 | 168.1 | -63.8 | 160.9 | 0 | 0 | 0 | 107.6 | ||||
| 188 | T | 26.1 | Very low | 30.4 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -162.2 | 132.1 | 146.4 | -86.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 189 | T | 28.1 | Very low | 30 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -13.5 | 137 | 156.6 | -49 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 190 | S | 28.4 | Very low | 29.5 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -133.9 | 120 | 154 | -84.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 191 | T | 28 | Very low | 29.1 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 77% | 0.767 | 81% | 0.809 | S | S | * | * | trans | -125.1 | 124.8 | 170.2 | -67 | 0 | 0 | 0 | 0 | 108 | ||||
| 192 | T | 27.3 | Very low | 28.5 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -108 | 113 | -174.1 | 54.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 193 | T | 27.4 | Very low | 28.2 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | -134 | 140.6 | 160.2 | -51 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 194 | S | 29.1 | Very low | 27.9 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | trans | -93 | 146.3 | -168.2 | -178.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 195 | T | 28 | Very low | 27.7 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | 169.2 | 143.1 | 113.1 | 34.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 196 | N | 29.6 | Very low | 27.6 | Very low | 160 Ų | 160 | 135 Ų | 135 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | 54.2 | 133.4 | 147.3 | -55.8 | -13.9 | 0 | 0 | 0 | 122.7 | ||||
| 197 | G | 27.2 | Very low | 27.6 | Very low | 78 Ų | 78 | 132 Ų | 132 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 150 | 78.8 | 144.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 198 | A | 26.8 | Very low | 27.7 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 26.8 | 105.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 199 | A | 25.7 | Very low | 28.2 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | 59.7 | 146 | 117.9 | 0 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 200 | Y | 26.3 | Very low | 28.2 | Very low | 231 Ų | 231 | 136 Ų | 136 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | 74.5 | 107.4 | 161.8 | -63.3 | -72.4 | 0 | 0 | 0 | 121 | ||||
| 201 | S | 27.1 | Very low | 28.2 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | 165.3 | 161.6 | 95.8 | -163.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 202 | N | 27.5 | Very low | 28.1 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -92.3 | 150.3 | 178.4 | -59.2 | -50 | 0 | 0 | 0 | 112.5 | ||||
| 203 | Q | 28.4 | Very low | 28.2 | Very low | 202 Ų | 202 | 139.5 Ų | 139.5 | 94% | 0.944 | 81% | 0.807 | S | S | * | * | -170.6 | 159.7 | 123.1 | -106.8 | 171.3 | 14.7 | 0 | 0 | 112.6 | |||||
| 204 | A | 27.1 | Very low | 28.1 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -141.1 | 149.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 205 | V | 27.7 | Very low | 28.1 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | -165.9 | 112.3 | 166.4 | 127 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 206 | Q | 28.4 | Very low | 28.1 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | 68.5 | 109.7 | 96.5 | -78.5 | -168.4 | -5.1 | 0 | 0 | 114.2 | |||||
| 207 | V | 26.6 | Very low | 28.2 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 75% | 0.745 | 82% | 0.816 | S | S | * | * | 90.6 | 124.6 | 77.2 | 160.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 208 | R | 30.6 | Very low | 28.3 | Very low | 249 Ų | 249 | 144.6 Ų | 144.6 | 94% | 0.94 | 82% | 0.815 | S | S | * | * | trans | -97.5 | 138.6 | 162.8 | -73.6 | -178.1 | 174.9 | 179.9 | -1.3 | 109.8 | ||||
| 209 | P | 37.7 | Very low | 28.6 | Very low | 108 Ų | 108 | 149 Ų | 149 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | trans | -125.7 | 144.1 | 156.7 | 36.5 | -25.6 | 0 | 0 | 0 | 112.4 | ||||
| 210 | S | 26.7 | Very low | 29 | Very low | 124 Ų | 124 | 152 Ų | 152 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | -178.6 | 149 | 116.7 | -77.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 211 | I | 28.5 | Very low | 29.2 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 72% | 0.723 | 81% | 0.808 | S | S | * | * | trans | -122.1 | 150.1 | -177.6 | -64 | 160.1 | 0 | 0 | 0 | 106.9 | ||||
| 212 | N | 26.1 | Very low | 29.4 | Very low | 164 Ų | 164 | 147.5 Ų | 147.5 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -167.6 | 161.6 | 138.5 | -100.8 | -18.3 | 0 | 0 | 0 | 113.3 | ||||
| 213 | N | 29.1 | Very low | 29.7 | Very low | 148 Ų | 148 | 146.5 Ų | 146.5 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -119 | 163.3 | -159.8 | -61.5 | -20.1 | 0 | 0 | 0 | 113.8 | ||||
| 214 | G | 25.7 | Very low | 29.8 | Very low | 70 Ų | 70 | 147.3 Ų | 147.3 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | 97.1 | 165.5 | 150.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 215 | L | 29.5 | Very low | 30.1 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | cis | -170.9 | 169.7 | -18.5 | -122.5 | 171.5 | 0 | 0 | 0 | 109 | ||||
| 216 | E | 28.7 | Very low | 30.6 | Very low | 177 Ų | 177 | 150.6 Ų | 150.6 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | 73.7 | 169.7 | 165.1 | -69.2 | 174.9 | -172.6 | 0 | 0 | 119.6 | ||||
| 217 | E | 30.4 | Very low | 31.3 | Very low | 194 Ų | 194 | 148.2 Ų | 148.2 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | trans | -130.5 | 169.7 | -142.9 | -53.2 | 171.7 | 117.4 | 0 | 0 | 114.2 | ||||
| 218 | A | 30.3 | Very low | 32.4 | Very low | 95 Ų | 95 | 147.4 Ų | 147.4 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -163.4 | 114.8 | 149.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 219 | E | 32.1 | Very low | 32.6 | Very low | 194 Ų | 194 | 142.9 Ų | 142.9 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | 35.4 | 157.6 | 134.6 | -62.7 | -175.4 | -177 | 0 | 0 | 124.6 | ||||
| 220 | E | 35.3 | Very low | 32.2 | Very low | 148 Ų | 148 | 144 Ų | 144 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | cis | -171.9 | -167.9 | -37 | -145.4 | -136.4 | -163.5 | 0 | 0 | 111 | ||||
| 221 | T | 29.3 | Very low | 32.5 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 75.5 | 145.5 | 174.5 | 78.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 222 | V | 32.8 | Very low | 33.1 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | cis | -128.2 | 158 | 19.2 | 176.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 223 | N | 32.3 | Very low | 33.8 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | trans | -88.5 | 174.3 | -168.4 | -88.6 | -83.6 | 0 | 0 | 0 | 117.3 | ||||
| 224 | R | 31.2 | Very low | 34 | Very low | 220 Ų | 220 | 139.6 Ų | 139.6 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | 97 | 142.6 | 156.8 | -60 | -166 | 156.3 | 151 | 3.9 | 118.6 | ||||
| 225 | D | 32.8 | Very low | 35.3 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 69% | 0.69 | 79% | 0.791 | S | S | * | * | cis | -160.5 | 158.8 | -13.9 | -96.7 | -25.7 | 0 | 0 | 0 | 108.9 | ||||
| 226 | I | 39.2 | Very low | 35.5 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | trans | -139.5 | 128.5 | 172.9 | -56.6 | 176.7 | 0 | 0 | 0 | 111.8 | ||||
| 227 | P | 42.2 | Very low | 35.8 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -127.5 | 166.3 | 147.9 | 8.8 | 14.4 | 0 | 0 | 0 | 113.8 | ||||
| 228 | P | 49.4 | Very low | 36 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | trans | -126.4 | 174.8 | -156.4 | 43 | -30 | 0 | 0 | 0 | 117.7 | ||||
| 229 | L | 34.6 | Very low | 36.3 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | trans | 63.7 | 117.3 | 150.7 | -106.5 | 85.1 | 0 | 0 | 0 | 120.7 | ||||
| 230 | T | 30.3 | Very low | 36.6 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | 168.4 | 141.8 | 102.9 | 33.3 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 231 | A | 32.9 | Very low | 36.9 | Very low | 92 Ų | 92 | 132.7 Ų | 132.7 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | 64.2 | 173.3 | 151.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 232 | P | 41.4 | Very low | 37.5 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | -127.2 | -177.4 | -63.6 | 39.2 | -26.8 | 0 | 0 | 0 | 114 | |||||
| 233 | V | 40.3 | Very low | 37.8 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -75.3 | 136 | -173.8 | 178.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 234 | T | 34.3 | Very low | 38.3 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | -143.9 | 150.5 | 147.3 | 37 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 235 | P | 51.9 | Low | 38.9 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -105.8 | 172.9 | -166.9 | 40.9 | -36.8 | 0 | 0 | 0 | 116.2 | ||||
| 236 | D | 33.6 | Very low | 39.4 | Very low | 149 Ų | 149 | 126 Ų | 126 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | 77.8 | 108.6 | 152.3 | -159.7 | 24.8 | 0 | 0 | 0 | 119.8 | ||||
| 237 | S | 35.3 | Very low | 39.3 | Very low | 104 Ų | 104 | 123 Ų | 123 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 169.2 | 123.8 | 108.1 | 47.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 238 | G | 33.9 | Very low | 39.5 | Very low | 81 Ų | 81 | 127.5 Ų | 127.5 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | 56.7 | 62.5 | 140.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 239 | Y | 37 | Very low | 39.6 | Very low | 239 Ų | 239 | 129.7 Ų | 129.7 | 94% | 0.937 | 77% | 0.77 | S | S | * | * | trans | -86.4 | 106.3 | 155 | -95.8 | -86.7 | 0 | 0 | 0 | 111 | S241 | Y239-S241 PolarHBondContact O-N 3.35Š| ||
| 240 | S | 39.8 | Very low | 40.3 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | -81.3 | 97 | 173.8 | -168.5 | 0 | 0 | 0 | 0 | 110 | A242 | S240-A242 PolarHBondContact O-N 2.97Š| ||
| 241 | S | 40.6 | Very low | 41.1 | Very low | 85 Ų | 85 | 130 Ų | 130 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | trans | -76.4 | 101.3 | 173.9 | -168.9 | 0 | 0 | 0 | 0 | 109.9 | Y239 H243 | Y239-S241 PolarHBondContact O-N 3.35Å; S241-H243 PolarHBondContact O-N 2.92Å; S241-H243 PolarHBondContact OG-CD2 3.04Å; S241-H243 PolarHBondContact OG-NE2 2.84Å | ||
| 242 | A | 41.8 | Very low | 42 | Very low | 95 Ų | 95 | 133.7 Ų | 133.7 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -73.2 | 79.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | S240 A244 | S240-A242 PolarHBondContact O-N 2.97Å; A242-A244 PolarHBondContact O-N 3.38Å | ||
| 243 | H | 39.4 | Very low | 43.1 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 70% | 0.704 | 76% | 0.762 | S | S | * | * | trans | -64.5 | 105.3 | 165.9 | -74.1 | -87.3 | 0 | 0 | 0 | 108.2 | S241 E245 | S241-H243 PolarHBondContact O-N 2.92Å; S241-H243 PolarHBondContact OG-CD2 3.04Å; S241-H243 PolarHBondContact OG-NE2 2.84Å; H243-E245 VanDerWaalsContact C-N 3.34Å; H243-E245 PolarHBondContact O-N 3.49Å | ||
| 244 | A | 43.4 | Very low | 45.1 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | -67.5 | 98.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | A242 A246 | A242-A244 PolarHBondContact O-N 3.38Å; A244-A246 VanDerWaalsContact C-N 3.26Å; A244-A246 PolarHBondContact O-N 3.28Å | ||
| 245 | E | 42.1 | Very low | 47.7 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | trans | -63.1 | 95 | 165.1 | -69.6 | -175.7 | 145.4 | 0 | 0 | 107.5 | H243 T247 | H243-E245 VanDerWaalsContact C-N 3.34Å; H243-E245 PolarHBondContact O-N 3.49Å; E245-T247 PolarHBondContact O-N 3.04Å | ||
| 246 | A | 43.1 | Very low | 49.7 | Very low | 70 Ų | 70 | 132.6 Ų | 132.6 | 58% | 0.579 | 72% | 0.723 | S | S | * | * | trans | -68.3 | 88.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | A244 Y248 | A244-A246 VanDerWaalsContact C-N 3.26Å; A244-A246 PolarHBondContact O-N 3.28Å; A246-Y248 VanDerWaalsContact C-N 3.34Å; A246-Y248 HydrophobicContact CB-CE2 4.39Å; A246-Y248 VanDerWaalsContact O-CD2 3.23Å; A246-Y248 WeakPolarHBondContact O-CD2 3.44Å; A246-Y248 PolarHBondContact O-N 3.11Å | ||
| 247 | T | 38.1 | Very low | 52.6 | Low | 101 Ų | 101 | 126.9 Ų | 126.9 | 62% | 0.62 | 69% | 0.694 | S | S | * | * | trans | -59.1 | 102.5 | 168.4 | -50.4 | 0 | 0 | 0 | 0 | 107.3 | E245 E249 | E245-T247 PolarHBondContact O-N 3.04Å; T247-E249 HydrophobicContact CG2-CG 4.06Å; T247-E249 WeakPolarHBondContact CG2-OE1 3.41Å; T247-E249 PolarHBondContact O-N 2.91Å | ||
| 248 | Y | 46.9 | Very low | 55.4 | Low | 212 Ų | 212 | 124.2 Ų | 124.2 | 83% | 0.831 | 67% | 0.669 | S | S | * | * | trans | -69.7 | 82 | 163.5 | -66.6 | -86.3 | 0 | 0 | 0 | 106.6 | A246 E250 | A246-Y248 VanDerWaalsContact C-N 3.34Å; A246-Y248 HydrophobicContact CB-CE2 4.39Å; A246-Y248 VanDerWaalsContact O-CD2 3.23Å; A246-Y248 WeakPolarHBondContact O-CD2 3.44Å; A246-Y248 PolarHBondContact O-N 3.11Å; Y248-E250 PolarHBondContact O-N 2.99Å | ||
| 249 | E | 50.3 | Low | 58.4 | Low | 154 Ų | 154 | 126.9 Ų | 126.9 | 72% | 0.72 | 66% | 0.655 | S | S | * | * | trans | -59.4 | 91 | 156.5 | -65.8 | -68.5 | 158.4 | 0 | 0 | 105.5 | T247 D251 | T247-E249 HydrophobicContact CG2-CG 4.06Å; T247-E249 WeakPolarHBondContact CG2-OE1 3.41Å; T247-E249 PolarHBondContact O-N 2.91Å; E249-D251 VanDerWaalsContact C-N 3.27Å; E249-D251 PolarHBondContact O-N 3.49Å | ||
| 250 | E | 49.1 | Very low | 61.2 | Low | 135 Ų | 135 | 116 Ų | 116 | 63% | 0.631 | 61% | 0.612 | S | S | * | * | trans | -68.4 | 92.7 | 175.1 | -169.7 | 163.4 | -135.5 | 0 | 0 | 106 | Y248 W252 | Y248-E250 PolarHBondContact O-N 2.99Å; E250-W252 VanDerWaalsContact C-N 3.3Å; E250-W252 HydrophobicContact CG-CZ2 4.05Å; E250-W252 PolarHBondContact O-N 3.46Å; E250-W252 PolarHBondContact O-NE1 3.19Å; E250-W252 WeakPolarHBondContact OE2-CZ2 3.23Å | ||
| 251 | D | 47.5 | Very low | 63.9 | Low | 154 Ų | 154 | 111 Ų | 111 | 82% | 0.824 | 58% | 0.575 | S | S | * | * | trans | -70.8 | 86.3 | -168.8 | -148.8 | 1.7 | 0 | 0 | 0 | 108.7 | E249 E253 | E249-D251 VanDerWaalsContact C-N 3.27Å; E249-D251 PolarHBondContact O-N 3.49Å; D251-E253 PolarHBondContact O-N 2.83Å | ||
| 252 | W | 52.4 | Low | 66.5 | Low | 171 Ų | 171 | 109.9 Ų | 109.9 | 65% | 0.648 | 56% | 0.56 | S | S | * | * | trans | -63.5 | 94.1 | -173.2 | -69.1 | 95.8 | 0 | 0 | 0 | 110.5 | E250 V254 | E250-W252 VanDerWaalsContact C-N 3.3Å; E250-W252 HydrophobicContact CG-CZ2 4.05Å; E250-W252 PolarHBondContact O-N 3.46Å; E250-W252 PolarHBondContact O-NE1 3.19Å; E250-W252 WeakPolarHBondContact OE2-CZ2 3.23Å; W252-V254 PolarHBondContact O-N 2.99Å | ||
| 253 | E | 65.4 | Low | 69.1 | Low | 190 Ų | 190 | 109.9 Ų | 109.9 | 89% | 0.888 | 54% | 0.544 | S | S | * | . | trans | -49.8 | 110.5 | 177.2 | -70.5 | -168.7 | 155.6 | 0 | 0 | 110.2 | D251 F255 | D251-E253 PolarHBondContact O-N 2.83Å; E253-F255 PolarHBondContact O-N 2.99Å | ||
| 254 | V | 81.6 | Confident | 71.7 | Confident | 135 Ų | 135 | 103.6 Ų | 103.6 | 82% | 0.818 | 52% | 0.516 | S | S | * | . | trans | -64.7 | 113.8 | 179.9 | 177.9 | 0 | 0 | 0 | 0 | 107.9 | W252 D256 | W252-V254 PolarHBondContact O-N 2.99Å; V254-D256 PolarHBondContact O-N 3.33Å | ||
| 255 | F | 88.5 | Confident | 74.2 | Confident | 93 Ų | 93 | 102.1 Ų | 102.1 | 41% | 0.408 | 50% | 0.498 | S | S | . | . | trans | -53.5 | 105.9 | -177.2 | 176.2 | -96.1 | 0 | 0 | 0 | 111.7 | E253 P257 F260 N385 Q408 | E253-F255 PolarHBondContact O-N 2.99Å; F255-P257 HydrophobicContact CE1-CB 4.04Å; F255-P257 WeakPolarHBondContact O-CD 3.49Å; F255-F260 HydrophobicContact CE2-CB 3.73Å; F255-F260 AromaticContact CE2-CD2 3.88Å; F255-F260 HydrophobicContact CE2-CD2 3.88Å; F255-F260 AromaticContact CE2-CG 3.85Å; F255-F260 HydrophobicContact CE2-CG 3.85Å; F255-F260 HydrophobicContact CZ-CB 3.69Å; F255-F260 HydrophobicContact CZ-CD1 4.22Å; F255-F260 HydrophobicContact CZ-CD2 4.2Å; F255-F260 AromaticContact CZ-CG 3.77Å; F255-F260 HydrophobicContact CZ-CG 3.77Å; F255-N385 WeakPolarHBondContact CE2-ND2 3.47Å; F255-N385 WeakPolarHBondContact CZ-OD1 3.28Å; F255-Q408 HydrophobicContact CE1-CG 4.15Å; F255-Q408 HydrophobicContact CZ-CB 4.42Å; F255-Q408 HydrophobicContact CZ-CG 4.11Å | ||
| 256 | D | 93.1 | Very high | 76.8 | Confident | 69 Ų | 69 | 99.2 Ų | 99.2 | 37% | 0.369 | 50% | 0.495 | S | S | . | . | trans | -86.4 | 113.7 | 170.9 | 174 | 15.5 | 0 | 0 | 0 | 109.5 | V254 Y258 Y259 F260 | V254-D256 PolarHBondContact O-N 3.33Å; D256-Y258 PolarHBondContact O-N 3.34Å; D256-Y258 WeakPolarHBondContact OD1-CB 3.49Å; D256-Y258 PolarHBondContact OD1-N 3.23Å; D256-Y259 PolarHBondContact O-N 3.28Å; D256-Y259 VanDerWaalsContact OD2-CB 3.28Å; D256-Y259 WeakPolarHBondContact OD2-CB 3.46Å; D256-Y259 PolarHBondContact OD2-N 3.44Å; D256-F260 PolarHBondContact O-N 2.83Å | ||
| 257 | P | 94.7 | Very high | 79.3 | Confident | 29 Ų | 29 | 96.8 Ų | 96.8 | 19% | 0.188 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -63.7 | -26.3 | 177.7 | 27.9 | -35.2 | 0 | 0 | 0 | 112.6 | F255 I261 Q408 | F255-P257 HydrophobicContact CE1-CB 4.04Å; F255-P257 WeakPolarHBondContact O-CD 3.49Å; P257-I261 WeakPolarHBondContact O-CB 3.23Å; P257-I261 VanDerWaalsContact O-CD1 3.22Å; P257-I261 WeakPolarHBondContact O-CD1 3.26Å; P257-I261 WeakPolarHBondContact O-CG1 3.23Å; P257-I261 PolarHBondContact O-N 2.84Å; P257-Q408 HydrophobicContact CB-CB 4.2Å |
| 258 | Y | 95.8 | Very high | 82 | Confident | 49 Ų | 49 | 95.2 Ų | 95.2 | 19% | 0.192 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -80.6 | -40.5 | -179.2 | -61.3 | -74.3 | 0 | 0 | 0 | 112.3 | D256 F260 I261 K262 P407 L459 L462 L463 | D256-Y258 PolarHBondContact O-N 3.34Å; D256-Y258 WeakPolarHBondContact OD1-CB 3.49Å; D256-Y258 PolarHBondContact OD1-N 3.23Å; Y258-F260 VanDerWaalsContact C-N 3.3Å; Y258-I261 HydrophobicContact CD1-CD1 4.09Å; Y258-I261 HydrophobicContact CE1-CD1 4.47Å; Y258-I261 PolarHBondContact O-N 2.98Å; Y258-K262 PolarHBondContact O-N 3.33Å; Y258-P407 HydrophobicContact CE1-CB 4.16Å; Y258-L459 HydrophobicContact CE1-CD2 4.18Å; Y258-L462 WeakPolarHBondContact CB-O 3.45Å; Y258-L462 HydrophobicContact CD1-CB 3.71Å; Y258-L462 HydrophobicContact CD2-CB 4.41Å; Y258-L462 HydrophobicContact CE1-CB 3.78Å; Y258-L462 HydrophobicContact CE1-CD1 3.78Å; Y258-L462 HydrophobicContact CE1-CG 4.42Å; Y258-L462 HydrophobicContact CE2-CB 4.46Å; Y258-L462 HydrophobicContact CE2-CD1 4.22Å; Y258-L462 HydrophobicContact CG-CB 4.05Å; Y258-L463 HydrophobicContact CD1-CD2 4.21Å |
| 259 | Y | 95.3 | Very high | 84.2 | Confident | 137 Ų | 137 | 92.9 Ų | 92.9 | 54% | 0.537 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.6 | -43.6 | 164.5 | -173.7 | -88.5 | 0 | 0 | 0 | 111.5 | D256 K262 H263 P464 | D256-Y259 PolarHBondContact O-N 3.28Å; D256-Y259 VanDerWaalsContact OD2-CB 3.28Å; D256-Y259 WeakPolarHBondContact OD2-CB 3.46Å; D256-Y259 PolarHBondContact OD2-N 3.44Å; Y259-K262 WeakPolarHBondContact O-CB 3.42Å; Y259-K262 PolarHBondContact O-N 2.85Å; Y259-H263 AromaticContact CD1-ND1 3.72Å; Y259-H263 AromaticContact CD2-CE1 3.69Å; Y259-H263 AromaticContact CD2-ND1 3.92Å; Y259-H263 AromaticContact CE1-CE1 3.88Å; Y259-H263 AromaticContact CE1-ND1 3.54Å; Y259-H263 AromaticContact CE2-CE1 3.29Å; Y259-H263 WeakPolarHBondContact CE2-CE1 3.43Å; Y259-H263 AromaticContact CE2-ND1 3.76Å; Y259-H263 AromaticContact CG-ND1 3.89Å; Y259-H263 AromaticContact CZ-CE1 3.39Å; Y259-H263 AromaticContact CZ-ND1 3.56Å; Y259-H263 PolarHBondContact O-N 3.46Å; Y259-H263 PolarHBondContact O-ND1 3.07Å; Y259-P464 HydrophobicContact CD2-CG 4.23Å |
| 260 | F | 95.9 | Very high | 86.2 | Confident | 9 Ų | 9 | 91.8 Ų | 91.8 | 4% | 0.039 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.8 | -52.9 | 174.3 | 175.2 | -93.4 | 0 | 0 | 0 | 111.7 | F255 D256 Y258 K262 H263 V264 V382 Q383 N385 I387 Q408 | F255-F260 HydrophobicContact CE2-CB 3.73Å; F255-F260 AromaticContact CE2-CD2 3.88Å; F255-F260 HydrophobicContact CE2-CD2 3.88Å; F255-F260 AromaticContact CE2-CG 3.85Å; F255-F260 HydrophobicContact CE2-CG 3.85Å; F255-F260 HydrophobicContact CZ-CB 3.69Å; F255-F260 HydrophobicContact CZ-CD1 4.22Å; F255-F260 HydrophobicContact CZ-CD2 4.2Å; F255-F260 AromaticContact CZ-CG 3.77Å; F255-F260 HydrophobicContact CZ-CG 3.77Å; D256-F260 PolarHBondContact O-N 2.83Å; Y258-F260 VanDerWaalsContact C-N 3.3Å; F260-K262 VanDerWaalsContact C-N 3.25Å; F260-K262 PolarHBondContact O-N 3.28Å; F260-H263 CarbonylContact O-C 3.54Å; F260-H263 PolarHBondContact O-N 2.96Å; F260-V264 HydrophobicContact CD1-CG2 3.75Å; F260-V264 HydrophobicContact CE1-CG2 3.37Å; F260-V264 HydrophobicContact CE2-CG2 4.41Å; F260-V264 HydrophobicContact CG-CG2 4.44Å; F260-V264 HydrophobicContact CZ-CG2 3.75Å; F260-V264 WeakPolarHBondContact O-CG2 3.4Å; F260-V264 PolarHBondContact O-N 3Å; F260-V382 HydrophobicContact CE2-CG1 4.01Å; F260-V382 HydrophobicContact CZ-CB 4.07Å; F260-V382 HydrophobicContact CZ-CG1 3.9Å; F260-Q383 HydrophobicContact CE2-CB 4.4Å; F260-N385 HydrophobicContact CE1-CB 4.07Å; F260-N385 HydrophobicContact CE2-CB 4.1Å; F260-N385 HydrophobicContact CZ-CB 3.57Å; F260-I387 HydrophobicContact CE1-CD1 3.96Å; F260-I387 HydrophobicContact CE1-CG1 4.34Å; F260-I387 HydrophobicContact CZ-CD1 4.03Å; F260-I387 HydrophobicContact CZ-CG1 4.49Å; F260-Q408 HydrophobicContact CD1-CB 3.55Å; F260-Q408 HydrophobicContact CD1-CG 4.43Å; F260-Q408 HydrophobicContact CE1-CB 3.87Å |
| 261 | I | 96.7 | Very high | 88.3 | Confident | 16 Ų | 16 | 87 Ų | 87 | 8% | 0.082 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -53 | -42.3 | 179.5 | -70.6 | 155.5 | 0 | 0 | 0 | 111.6 | P257 Y258 H263 P407 Q408 A411 L414 L463 | P257-I261 WeakPolarHBondContact O-CB 3.23Å; P257-I261 VanDerWaalsContact O-CD1 3.22Å; P257-I261 WeakPolarHBondContact O-CD1 3.26Å; P257-I261 WeakPolarHBondContact O-CG1 3.23Å; P257-I261 PolarHBondContact O-N 2.84Å; Y258-I261 HydrophobicContact CD1-CD1 4.09Å; Y258-I261 HydrophobicContact CE1-CD1 4.47Å; Y258-I261 PolarHBondContact O-N 2.98Å; I261-H263 VanDerWaalsContact C-N 3.26Å; I261-H263 PolarHBondContact O-N 2.82Å; I261-P407 HydrophobicContact CD1-CB 3.9Å; I261-Q408 HydrophobicContact CG1-CB 4.41Å; I261-A411 HydrophobicContact CB-CB 4.29Å; I261-A411 HydrophobicContact CG1-CB 3.8Å; I261-A411 HydrophobicContact CG2-CB 4.14Å; I261-L414 HydrophobicContact CD1-CD1 4.02Å; I261-L414 HydrophobicContact CG2-CD1 4.35Å; I261-L414 HydrophobicContact CG2-CD2 4.36Å; I261-L463 HydrophobicContact CB-CD2 3.85Å; I261-L463 HydrophobicContact CG2-CD2 3.57Å |
| 262 | K | 95.4 | Very high | 90.4 | Very high | 62 Ų | 62 | 84.5 Ų | 84.5 | 27% | 0.27 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.3 | -36.7 | 176.9 | -179.1 | 79.8 | 177.3 | -152.7 | 0 | 112.8 | Y258 Y259 F260 P464 P465 D466 | Y258-K262 PolarHBondContact O-N 3.33Å; Y259-K262 WeakPolarHBondContact O-CB 3.42Å; Y259-K262 PolarHBondContact O-N 2.85Å; F260-K262 VanDerWaalsContact C-N 3.25Å; F260-K262 PolarHBondContact O-N 3.28Å; K262-P464 HydrophobicContact CB-CG 3.94Å; K262-P464 HydrophobicContact CD-CG 4.43Å; K262-P464 WeakPolarHBondContact CE-O 3.47Å; K262-P464 HydrophobicContact CG-CG 3.99Å; K262-P464 PolarHBondContact NZ-O 2.7Å; K262-P465 VanDerWaalsContact NZ-C 3.28Å; K262-P465 PolarHBondContact NZ-O 2.67Å; K262-D466 VanDerWaalsContact CE-OD1 3.3Å; K262-D466 WeakPolarHBondContact CE-OD1 3.36Å; K262-D466 IonicContact NZ-OD1 2.73Å; K262-D466 PolarHBondContact NZ-OD1 3.31Å; K262-D466 IonicContact NZ-OD2 3.66Å |
| 263 | H | 95.4 | Very high | 92.2 | Very high | 95 Ų | 95 | 82.7 Ų | 82.7 | 44% | 0.44 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -105 | 6.6 | -172.6 | -60.4 | 95.6 | 0 | 0 | 0 | 114.1 | Y259 F260 I261 | Y259-H263 AromaticContact CD1-ND1 3.72Å; Y259-H263 AromaticContact CD2-CE1 3.69Å; Y259-H263 AromaticContact CD2-ND1 3.92Å; Y259-H263 AromaticContact CE1-CE1 3.88Å; Y259-H263 AromaticContact CE1-ND1 3.54Å; Y259-H263 AromaticContact CE2-CE1 3.29Å; Y259-H263 WeakPolarHBondContact CE2-CE1 3.43Å; Y259-H263 AromaticContact CE2-ND1 3.76Å; Y259-H263 AromaticContact CG-ND1 3.89Å; Y259-H263 AromaticContact CZ-CE1 3.39Å; Y259-H263 AromaticContact CZ-ND1 3.56Å; Y259-H263 PolarHBondContact O-N 3.46Å; Y259-H263 PolarHBondContact O-ND1 3.07Å; F260-H263 CarbonylContact O-C 3.54Å; F260-H263 PolarHBondContact O-N 2.96Å; I261-H263 VanDerWaalsContact C-N 3.26Å; I261-H263 PolarHBondContact O-N 2.82Å |
| 264 | V | 95.5 | Very high | 93.4 | Very high | 21 Ų | 21 | 78.4 Ų | 78.4 | 13% | 0.127 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 122.5 | 173.1 | 170.4 | 0 | 0 | 0 | 0 | 109.4 | F260 I387 A411 Y412 | F260-V264 HydrophobicContact CD1-CG2 3.75Å; F260-V264 HydrophobicContact CE1-CG2 3.37Å; F260-V264 HydrophobicContact CE2-CG2 4.41Å; F260-V264 HydrophobicContact CG-CG2 4.44Å; F260-V264 HydrophobicContact CZ-CG2 3.75Å; F260-V264 WeakPolarHBondContact O-CG2 3.4Å; F260-V264 PolarHBondContact O-N 3Å; V264-I387 HydrophobicContact CB-CD1 4.43Å; V264-I387 HydrophobicContact CG1-CD1 3.63Å; V264-I387 HydrophobicContact CG2-CD1 3.79Å; V264-A411 HydrophobicContact CG2-CB 3.87Å; V264-Y412 HydrophobicContact CG1-CD1 4.12Å; V264-Y412 HydrophobicContact CG1-CE1 3.36Å; V264-Y412 HydrophobicContact CG1-CE2 4.16Å; V264-Y412 WeakPolarHBondContact CG1-OH 3.28Å |
| 265 | P | 96.4 | Very high | 93.9 | Very high | 65 Ų | 65 | 81.1 Ų | 81.1 | 42% | 0.422 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 145.9 | 178.2 | 28.9 | -34.6 | 0 | 0 | 0 | 110.5 | V382 Y412 | P265-V382 HydrophobicContact CG-CG1 4.15Å; P265-Y412 VanDerWaalsContact O-CE1 3.28Å; P265-Y412 WeakPolarHBondContact O-CE1 3.39Å; P265-Y412 PolarHBondContact O-OH 3.21Å |
| 266 | P | 95.9 | Very high | 94.3 | Very high | 116 Ų | 116 | 80.4 Ų | 80.4 | 75% | 0.753 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 147.3 | 178.7 | 26.2 | -35 | 0 | 0 | 0 | 111.3 | T268 | P266-T268 PolarHBondContact O-N 2.87Š|
| 267 | L | 95.1 | Very high | 94.4 | Very high | 20 Ų | 20 | 79.4 Ų | 79.4 | 11% | 0.105 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 136.3 | 176.1 | -68.3 | 168 | 0 | 0 | 0 | 110.8 | Q271 L272 V380 D389 Y412 | L267-Q271 HydrophobicContact CB-CB 4.3Å; L267-Q271 HydrophobicContact CD2-CB 4.2Å; L267-L272 HydrophobicContact CB-CD1 4.42Å; L267-L272 HydrophobicContact CB-CD2 3.78Å; L267-L272 HydrophobicContact CB-CG 3.79Å; L267-L272 HydrophobicContact CD1-CD2 3.76Å; L267-L272 HydrophobicContact CG-CD2 4.43Å; L267-V380 HydrophobicContact CD2-CG1 4.43Å; L267-V380 HydrophobicContact CD2-CG2 3.89Å; L267-D389 HydrophobicContact CD1-CB 4.46Å; L267-D389 HydrophobicContact CD2-CB 4.4Å; L267-Y412 HydrophobicContact CD1-CD1 4.39Å; L267-Y412 HydrophobicContact CD1-CD2 4.45Å; L267-Y412 HydrophobicContact CD1-CG 4.3Å; L267-Y412 HydrophobicContact CD2-CD1 4.44Å; L267-Y412 HydrophobicContact CD2-CD2 3.84Å; L267-Y412 HydrophobicContact CD2-CE1 4.05Å; L267-Y412 HydrophobicContact CD2-CE2 3.4Å; L267-Y412 HydrophobicContact CD2-CG 4.36Å; L267-Y412 HydrophobicContact CG-CD1 3.98Å; L267-Y412 HydrophobicContact CG-CD2 4.19Å; L267-Y412 HydrophobicContact CG-CE1 3.77Å; L267-Y412 HydrophobicContact CG-CE2 4.01Å; L267-Y412 HydrophobicContact CG-CG 4.19Å |
| 268 | T | 94.9 | Very high | 94.6 | Very high | 68 Ų | 68 | 78.6 Ų | 78.6 | 42% | 0.417 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 159.7 | 178 | 71.7 | 0 | 0 | 0 | 0 | 111.4 | P266 E270 Q271 L272 | P266-T268 PolarHBondContact O-N 2.87Å; T268-E270 PolarHBondContact O-N 3.08Å; T268-Q271 WeakPolarHBondContact O-CB 3.49Å; T268-Q271 PolarHBondContact O-N 3.2Å; T268-Q271 VanDerWaalsContact OG1-CG 3.31Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.22Å; T268-Q271 PolarHBondContact OG1-N 3.15Å; T268-L272 WeakPolarHBondContact O-CG 3.43Å; T268-L272 PolarHBondContact O-N 2.93Å |
| 269 | E | 94.1 | Very high | 94.6 | Very high | 163 Ų | 163 | 80.1 Ų | 80.1 | 76% | 0.762 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -56.9 | -35.7 | 174.9 | -66.1 | -167.5 | 159.1 | 0 | 0 | 112.3 | N273 | E269-N273 VanDerWaalsContact O-CB 3.32Å; E269-N273 WeakPolarHBondContact O-CB 3.08Å; E269-N273 PolarHBondContact O-N 3.36Å; E269-N273 PolarHBondContact O-ND2 3.42Å |
| 270 | E | 92.4 | Very high | 94.6 | Very high | 130 Ų | 130 | 81.1 Ų | 81.1 | 61% | 0.607 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.4 | -46 | 174.2 | -172.1 | -136.1 | 113.5 | 0 | 0 | 111.2 | T268 N273 R274 | T268-E270 PolarHBondContact O-N 3.08Å; E270-N273 PolarHBondContact O-N 3.33Å; E270-R274 WeakPolarHBondContact O-CG 3.39Å; E270-R274 PolarHBondContact O-N 3.26Å; E270-R274 IonicContact OE1-CZ 2.68Å; E270-R274 IonicContact OE1-NE 3.2Å; E270-R274 PolarHBondContact OE1-NE 2.82Å; E270-R274 IonicContact OE1-NH2 3.83Å; E270-R274 PolarHBondContact OE1-NH2 2.68Å |
| 271 | Q | 92.4 | Very high | 94.6 | Very high | 36 Ų | 36 | 84 Ų | 84 | 17% | 0.168 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 179.4 | -69.9 | 164 | -3.9 | 0 | 0 | 111.8 | L267 T268 N273 R274 | L267-Q271 HydrophobicContact CB-CB 4.3Å; L267-Q271 HydrophobicContact CD2-CB 4.2Å; T268-Q271 WeakPolarHBondContact O-CB 3.49Å; T268-Q271 PolarHBondContact O-N 3.2Å; T268-Q271 VanDerWaalsContact OG1-CG 3.31Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.22Å; T268-Q271 PolarHBondContact OG1-N 3.15Å; Q271-N273 VanDerWaalsContact C-N 3.3Å; Q271-N273 PolarHBondContact O-N 3.04Å; Q271-R274 WeakPolarHBondContact O-CB 3.49Å; Q271-R274 WeakPolarHBondContact O-CG 3.29Å; Q271-R274 PolarHBondContact O-N 3.48Å |
| 272 | L | 91.4 | Very high | 94.4 | Very high | 101 Ų | 101 | 86.6 Ų | 86.6 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.9 | -31.4 | 177.4 | -68.4 | 170.8 | 0 | 0 | 0 | 113.1 | L267 T268 R274 | L267-L272 HydrophobicContact CB-CD1 4.42Å; L267-L272 HydrophobicContact CB-CD2 3.78Å; L267-L272 HydrophobicContact CB-CG 3.79Å; L267-L272 HydrophobicContact CD1-CD2 3.76Å; L267-L272 HydrophobicContact CG-CD2 4.43Å; T268-L272 WeakPolarHBondContact O-CG 3.43Å; T268-L272 PolarHBondContact O-N 2.93Å; L272-R274 VanDerWaalsContact C-N 3.35Å |
| 273 | N | 91.1 | Very high | 94.2 | Very high | 132 Ų | 132 | 96.3 Ų | 96.3 | 71% | 0.706 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 10.6 | 177.5 | -72.5 | -74.6 | 0 | 0 | 0 | 113.7 | E269 E270 Q271 K275 | E269-N273 VanDerWaalsContact O-CB 3.32Å; E269-N273 WeakPolarHBondContact O-CB 3.08Å; E269-N273 PolarHBondContact O-N 3.36Å; E269-N273 PolarHBondContact O-ND2 3.42Å; E270-N273 PolarHBondContact O-N 3.33Å; Q271-N273 VanDerWaalsContact C-N 3.3Å; Q271-N273 PolarHBondContact O-N 3.04Å; N273-K275 PolarHBondContact O-N 3.37Å |
| 274 | R | 89.8 | Confident | 93.9 | Very high | 101 Ų | 101 | 96.5 Ų | 96.5 | 38% | 0.381 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 137.1 | 174.6 | -75.5 | 175 | 179.3 | -172.4 | -3.5 | 110.9 | E270 Q271 L272 | E270-R274 WeakPolarHBondContact O-CG 3.39Å; E270-R274 PolarHBondContact O-N 3.26Å; E270-R274 IonicContact OE1-CZ 2.68Å; E270-R274 IonicContact OE1-NE 3.2Å; E270-R274 PolarHBondContact OE1-NE 2.82Å; E270-R274 IonicContact OE1-NH2 3.83Å; E270-R274 PolarHBondContact OE1-NH2 2.68Å; Q271-R274 WeakPolarHBondContact O-CB 3.49Å; Q271-R274 WeakPolarHBondContact O-CG 3.29Å; Q271-R274 PolarHBondContact O-N 3.48Å; L272-R274 VanDerWaalsContact C-N 3.35Å |
| 275 | K | 91.9 | Very high | 93.9 | Very high | 191 Ų | 191 | 96.2 Ų | 96.2 | 83% | 0.83 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 140.1 | 171.1 | -66.1 | 177.7 | -177.9 | 170 | 0 | 108.9 | N273 A277 | N273-K275 PolarHBondContact O-N 3.37Å; K275-A277 PolarHBondContact O-N 3.2Å |
| 276 | P | 96.2 | Very high | 93.9 | Very high | 78 Ų | 78 | 94.8 Ų | 94.8 | 51% | 0.506 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 128.4 | 175.5 | -30.2 | 36.6 | 0 | 0 | 0 | 112.7 | L278 I392 | P276-L278 PolarHBondContact O-N 2.92Å; P276-I392 CarbonylContact C-O 3.26Å; P276-I392 VanDerWaalsContact CA-O 3.25Å; P276-I392 WeakPolarHBondContact CA-O 3.4Å |
| 277 | A | 96.4 | Very high | 93.9 | Very high | 48 Ų | 48 | 94.7 Ų | 94.7 | 40% | 0.397 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -69.7 | -22 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | K275 L374 I392 | K275-A277 PolarHBondContact O-N 3.2Å; A277-L374 HydrophobicContact CB-CD2 3.91Å; A277-I392 HydrophobicContact CB-CG1 4.45Å; A277-I392 PolarHBondContact N-O 2.94Å |
| 278 | L | 97.7 | Very high | 94.1 | Very high | 12 Ų | 12 | 94 Ų | 94 | 6% | 0.063 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -101.2 | 143.3 | 178.6 | -56.6 | -172.4 | 0 | 0 | 0 | 111.8 | P276 I346 H372 L374 L393 | P276-L278 PolarHBondContact O-N 2.92Å; L278-I346 HydrophobicContact CD1-CD1 3.59Å; L278-I346 HydrophobicContact CD1-CG1 3.94Å; L278-I346 HydrophobicContact CD1-CG2 4.26Å; L278-H372 HydrophobicContact CD1-CB 4.41Å; L278-H372 HydrophobicContact CD2-CB 3.65Å; L278-L374 HydrophobicContact CD2-CD1 4.16Å; L278-L374 HydrophobicContact CD2-CD2 3.98Å; L278-L374 HydrophobicContact CD2-CG 4.17Å; L278-L393 HydrophobicContact CD1-CB 4.14Å; L278-L393 HydrophobicContact CD1-CD2 4.01Å; L278-L393 HydrophobicContact CG-CD2 4.35Å |
| 279 | P | 96.8 | Very high | 94.3 | Very high | 81 Ų | 81 | 90.8 Ų | 90.8 | 53% | 0.526 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 160.3 | 169.9 | 30 | -35.8 | 0 | 0 | 0 | 111.2 | R395 | P279-R395 PolarHBondContact O-NH1 3.06Å; P279-R395 PolarHBondContact O-NH2 2.76Å |
| 280 | L | 95.6 | Very high | 94.5 | Very high | 159 Ų | 159 | 83 Ų | 83 | 83% | 0.832 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 143.4 | 175 | -60.9 | 176.5 | 0 | 0 | 0 | 111.4 | T282 | L280-T282 PolarHBondContact O-N 2.8Š|
| 281 | K | 94.5 | Very high | 94.8 | Very high | 70 Ų | 70 | 76.9 Ų | 76.9 | 30% | 0.304 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 136.8 | 175.8 | -73.7 | -161.2 | 168.4 | -175.3 | 0 | 111.2 | T285 P286 E287 F288 S289 E344 | K281-T285 HydrophobicContact CB-CG2 4.36Å; K281-T285 HydrophobicContact CD-CG2 3.73Å; K281-T285 HydrophobicContact CG-CG2 3.88Å; K281-P286 PolarHBondContact NZ-O 2.75Å; K281-E287 PolarHBondContact NZ-O 2.84Å; K281-F288 PolarHBondContact NZ-O 2.76Å; K281-S289 VanDerWaalsContact CE-OG 3.28Å; K281-S289 WeakPolarHBondContact CE-OG 3.36Å; K281-S289 PolarHBondContact NZ-OG 2.77Å; K281-E344 VanDerWaalsContact CE-CD 3.45Å; K281-E344 WeakPolarHBondContact CE-OE2 3.04Å; K281-E344 IonicContact NZ-OE2 2.74Å |
| 282 | T | 93.3 | Very high | 95.1 | Very high | 69 Ų | 69 | 75.2 Ų | 75.2 | 42% | 0.423 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 158.9 | 167.3 | 49.5 | 0 | 0 | 0 | 0 | 110.3 | L280 S284 T285 R371 | L280-T282 PolarHBondContact O-N 2.8Å; T282-S284 PolarHBondContact O-N 2.92Å; T282-S284 PolarHBondContact OG1-OG 3.31Å; T282-T285 PolarHBondContact N-OG1 3.49Å; T282-T285 VanDerWaalsContact O-CB 3.31Å; T282-T285 WeakPolarHBondContact O-CB 3.32Å; T282-T285 PolarHBondContact O-N 3.31Å; T282-T285 PolarHBondContact O-OG1 2.94Å; T282-T285 PolarHBondContact OG1-OG1 2.6Å; T282-R371 PolarHBondContact OG1-NH2 2.83Å |
| 283 | R | 90.5 | Very high | 95.5 | Very high | 266 Ų | 266 | 70.5 Ų | 70.5 | 100% | 1.004 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -15.4 | 175.3 | -72.7 | -173.7 | 175.2 | -169.6 | -2.4 | 115.1 | ||
| 284 | S | 90.3 | Very high | 95.8 | Very high | 99 Ų | 99 | 64.2 Ų | 64.2 | 69% | 0.692 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 4.8 | 174.4 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | T282 | T282-S284 PolarHBondContact O-N 2.92Å; T282-S284 PolarHBondContact OG1-OG 3.31Å |
| 285 | T | 94.6 | Very high | 96.1 | Very high | 15 Ų | 15 | 59.4 Ų | 59.4 | 9% | 0.092 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -84 | 135.4 | 167.9 | -54.7 | 0 | 0 | 0 | 0 | 108.5 | K281 T282 E344 R371 | K281-T285 HydrophobicContact CB-CG2 4.36Å; K281-T285 HydrophobicContact CD-CG2 3.73Å; K281-T285 HydrophobicContact CG-CG2 3.88Å; T282-T285 PolarHBondContact N-OG1 3.49Å; T282-T285 VanDerWaalsContact O-CB 3.31Å; T282-T285 WeakPolarHBondContact O-CB 3.32Å; T282-T285 PolarHBondContact O-N 3.31Å; T282-T285 PolarHBondContact O-OG1 2.94Å; T282-T285 PolarHBondContact OG1-OG1 2.6Å; T285-E344 HydrophobicContact CG2-CB 3.72Å; T285-E344 HydrophobicContact CG2-CG 3.76Å; T285-E344 VanDerWaalsContact CG2-OE1 3.31Å; T285-E344 WeakPolarHBondContact CG2-OE1 3.39Å; T285-R371 PolarHBondContact OG1-NE 3.26Å; T285-R371 PolarHBondContact OG1-NH2 2.72Å; T285-R371 VanDerWaalsContact OG1-NH2 3.14Å |
| 286 | P | 96.5 | Very high | 96.4 | Very high | 36 Ų | 36 | 51.5 Ų | 51.5 | 23% | 0.234 | 28% | 0.275 | C | S | . | . | trans | -57.9 | 152.1 | 172.5 | -24.8 | 35.4 | 0 | 0 | 0 | 112.8 | K281 M342 | K281-P286 PolarHBondContact NZ-O 2.75Å; P286-M342 VanDerWaalsContact CB-O 3.29Å; P286-M342 WeakPolarHBondContact CB-O 3.16Å | ||
| 287 | E | 96.7 | Very high | 96.5 | Very high | 114 Ų | 114 | 47.8 Ų | 47.8 | 53% | 0.533 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -64 | -46 | -178.2 | -175.1 | 176.2 | 158.7 | 0 | 0 | 111.7 | K281 K399 | K281-E287 PolarHBondContact NZ-O 2.84Å; E287-K399 HydrophobicContact CG-CG 4.45Å; E287-K399 VanDerWaalsContact OE1-CE 3.27Å; E287-K399 WeakPolarHBondContact OE1-CE 3.41Å; E287-K399 IonicContact OE1-NZ 3.8Å |
| 288 | F | 98.7 | Very high | 96.6 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 2% | 0.022 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -75.7 | 153.5 | 175.4 | -68.8 | -95.5 | 0 | 0 | 0 | 112.6 | K281 Y343 E344 K399 V443 N446 V449 | K281-F288 PolarHBondContact NZ-O 2.76Å; F288-Y343 HydrophobicContact CB-CD1 3.45Å; F288-Y343 VanDerWaalsContact CB-CD1 3.45Å; F288-Y343 HydrophobicContact CB-CE1 3.58Å; F288-Y343 HydrophobicContact CB-CG 4.43Å; F288-Y343 HydrophobicContact CD1-CE1 4.34Å; F288-Y343 HydrophobicContact CG-CE1 4.21Å; F288-E344 PolarHBondContact O-N 3.22Å; F288-K399 CarbonylContact C-O 3.48Å; F288-K399 VanDerWaalsContact CA-O 3.31Å; F288-K399 WeakPolarHBondContact CA-O 3.25Å; F288-K399 HydrophobicContact CD1-CB 4.11Å; F288-K399 HydrophobicContact CD1-CD 3.98Å; F288-K399 HydrophobicContact CE1-CB 4.46Å; F288-K399 HydrophobicContact CE1-CD 3.53Å; F288-K399 HydrophobicContact CE2-CD 4.17Å; F288-K399 HydrophobicContact CG-CD 4.48Å; F288-K399 HydrophobicContact CZ-CD 3.64Å; F288-V443 HydrophobicContact CD2-CB 4.4Å; F288-V443 HydrophobicContact CD2-CG1 4.14Å; F288-V443 HydrophobicContact CD2-CG2 4.01Å; F288-V443 HydrophobicContact CE2-CB 4.34Å; F288-V443 HydrophobicContact CE2-CG1 4.18Å; F288-V443 HydrophobicContact CE2-CG2 4.36Å; F288-V443 HydrophobicContact CG-CG2 4.16Å; F288-N446 VanDerWaalsContact CE2-OD1 3.28Å; F288-N446 WeakPolarHBondContact CE2-OD1 3.09Å; F288-N446 WeakPolarHBondContact CZ-OD1 3.42Å; F288-V449 HydrophobicContact CD1-CG1 4.05Å; F288-V449 HydrophobicContact CE1-CG1 3.65Å |
| 289 | S | 98.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 129.1 | 174.7 | -65 | 0 | 0 | 0 | 0 | 109.9 | K281 E344 K399 T400 I401 | K281-S289 VanDerWaalsContact CE-OG 3.28Å; K281-S289 WeakPolarHBondContact CE-OG 3.36Å; K281-S289 PolarHBondContact NZ-OG 2.77Å; S289-E344 WeakPolarHBondContact CA-O 3.48Å; S289-E344 PolarHBondContact OG-OE2 3.13Å; S289-K399 PolarHBondContact N-O 3.06Å; S289-T400 WeakPolarHBondContact O-CA 3.37Å; S289-I401 PolarHBondContact O-N 3.42Å |
| 290 | L | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 108 | 178.2 | -175.9 | 61.6 | 0 | 0 | 0 | 108.8 | L292 F335 M339 Y343 E344 I345 I346 I401 I403 L439 | L290-L292 HydrophobicContact CD1-CD2 4.25Å; L290-L292 HydrophobicContact CD2-CD2 3.99Å; L290-L292 HydrophobicContact CG-CD2 3.78Å; L290-L292 HydrophobicContact CG-CG 4.21Å; L290-F335 HydrophobicContact CD2-CZ 4.3Å; L290-M339 HydrophobicContact CD2-CB 3.94Å; L290-M339 HydrophobicContact CD2-CG 3.82Å; L290-M339 HydrophobicContact CD2-SD 4.06Å; L290-Y343 HydrophobicContact CB-CD1 3.62Å; L290-Y343 HydrophobicContact CB-CD2 4.42Å; L290-Y343 HydrophobicContact CB-CE1 4.3Å; L290-Y343 HydrophobicContact CB-CG 3.66Å; L290-Y343 HydrophobicContact CD2-CD2 4.28Å; L290-Y343 HydrophobicContact CD2-CG 4.33Å; L290-E344 PolarHBondContact N-O 2.97Å; L290-I345 WeakPolarHBondContact O-CA 3.41Å; L290-I346 PolarHBondContact O-N 2.96Å; L290-I401 HydrophobicContact CD1-CB 3.9Å; L290-I401 HydrophobicContact CD1-CG2 3.93Å; L290-I403 HydrophobicContact CD1-CD1 3.83Å; L290-I403 HydrophobicContact CD1-CG1 4.17Å; L290-L439 HydrophobicContact CD1-CD2 4.13Å; L290-L439 HydrophobicContact CD2-CD1 4.34Å |
| 291 | V | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 128.8 | 173.9 | -171.4 | 0 | 0 | 0 | 0 | 108 | I346 F348 L390 L393 T400 I401 I402 I403 | V291-I346 CarbonylContact C-O 3.54Å; V291-I346 VanDerWaalsContact CA-O 3.25Å; V291-I346 WeakPolarHBondContact CA-O 3.47Å; V291-I346 HydrophobicContact CG2-CB 4.31Å; V291-I346 HydrophobicContact CG2-CD1 4.14Å; V291-F348 HydrophobicContact CG1-CB 3.52Å; V291-F348 HydrophobicContact CG1-CD2 4.2Å; V291-F348 HydrophobicContact CG1-CG 4.39Å; V291-L390 HydrophobicContact CG2-CD2 4.23Å; V291-L393 HydrophobicContact CG2-CD1 3.58Å; V291-T400 HydrophobicContact CG2-CG2 4.04Å; V291-I401 WeakPolarHBondContact CB-O 3.44Å; V291-I401 PolarHBondContact N-O 3.41Å; V291-I402 HydrophobicContact CB-CB 3.94Å; V291-I402 HydrophobicContact CB-CD1 4.31Å; V291-I402 HydrophobicContact CB-CG1 3.93Å; V291-I402 HydrophobicContact CG1-CB 4.39Å; V291-I402 HydrophobicContact CG1-CD1 3.79Å; V291-I402 HydrophobicContact CG1-CG1 3.9Å; V291-I402 CarbonylContact O-C 3.48Å; V291-I402 WeakPolarHBondContact O-CA 2.97Å; V291-I403 PolarHBondContact O-N 3.46Å |
| 292 | L | 98.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.7 | 177.7 | -56.6 | 175.5 | 0 | 0 | 0 | 109.2 | L290 L298 F335 L336 I345 I346 L347 F348 I403 | L290-L292 HydrophobicContact CD1-CD2 4.25Å; L290-L292 HydrophobicContact CD2-CD2 3.99Å; L290-L292 HydrophobicContact CG-CD2 3.78Å; L290-L292 HydrophobicContact CG-CG 4.21Å; L292-L298 HydrophobicContact CB-CD1 4.41Å; L292-L298 HydrophobicContact CD1-CD1 4.27Å; L292-F335 HydrophobicContact CD1-CE1 3.99Å; L292-F335 HydrophobicContact CD2-CE1 3.93Å; L292-F335 HydrophobicContact CD2-CZ 4.33Å; L292-L336 HydrophobicContact CD1-CD2 3.5Å; L292-I345 HydrophobicContact CD1-CG2 3.85Å; L292-I345 HydrophobicContact CG-CG2 4.43Å; L292-I346 PolarHBondContact N-O 3.49Å; L292-L347 HydrophobicContact CB-CD1 4.45Å; L292-L347 HydrophobicContact CB-CD2 4.25Å; L292-L347 HydrophobicContact CD1-CD2 4.36Å; L292-L347 WeakPolarHBondContact O-CA 3.5Å; L292-F348 PolarHBondContact O-N 3.45Å; L292-I403 HydrophobicContact CD2-CB 3.93Å; L292-I403 HydrophobicContact CD2-CD1 3.79Å; L292-I403 HydrophobicContact CD2-CG1 4.24Å |
| 293 | D | 98.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.011 | 15% | 0.154 | C | C | . | . | trans | -71.3 | 174 | 157.1 | -169.3 | 62.1 | 0 | 0 | 0 | 111.4 | D295 T297 L298 T349 K388 I403 D404 | D293-D295 PolarHBondContact OD2-N 3.22Å; D293-T297 HydrophobicContact CB-CG2 4.17Å; D293-T297 PolarHBondContact OD2-OG1 2.73Å; D293-L298 WeakPolarHBondContact O-CD1 3.32Å; D293-T349 VanDerWaalsContact OD1-CA 3.32Å; D293-T349 WeakPolarHBondContact OD1-CA 3.29Å; D293-K388 IonicContact OD1-NZ 2.92Å; D293-K388 PolarHBondContact OD1-NZ 2.83Å; D293-I403 PolarHBondContact N-O 3.01Å; D293-D404 HydrophobicContact CB-CB 4.41Å | ||
| 294 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -114.7 | -55.3 | -175.3 | 179.5 | 59.4 | 0 | 0 | 0 | 111.2 | L298 V299 L347 T349 Y355 A356 L359 L360 | L294-L298 PolarHBondContact O-N 3.32Å; L294-V299 HydrophobicContact CD1-CG2 4.03Å; L294-V299 HydrophobicContact CG-CG2 4.09Å; L294-V299 VanDerWaalsContact O-CG2 3.29Å; L294-V299 WeakPolarHBondContact O-CG2 3.46Å; L294-V299 PolarHBondContact O-N 3.27Å; L294-L347 HydrophobicContact CB-CD1 4.12Å; L294-L347 HydrophobicContact CD1-CD1 4.25Å; L294-T349 HydrophobicContact CB-CG2 4.4Å; L294-T349 HydrophobicContact CD2-CG2 4.24Å; L294-Y355 HydrophobicContact CD2-CE1 4.42Å; L294-A356 HydrophobicContact CD2-CB 3.77Å; L294-L359 HydrophobicContact CD1-CD2 4.08Å; L294-L359 HydrophobicContact CD2-CD2 4.24Å; L294-L359 HydrophobicContact CG-CD2 4.34Å; L294-L360 HydrophobicContact CD1-CD2 4.05Å | ||
| 295 | D | 96.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -89.1 | 133.1 | -165.3 | -52.7 | -75.2 | 0 | 0 | 0 | 108.6 | D293 T297 T349 S351 Y355 | D293-D295 PolarHBondContact OD2-N 3.22Å; D295-T297 PolarHBondContact O-N 2.74Å; D295-T297 PolarHBondContact O-OG1 3.23Å; D295-T349 PolarHBondContact OD2-OG1 3.41Å; D295-S351 WeakPolarHBondContact OD2-CB 3.46Å; D295-S351 PolarHBondContact OD2-OG 3.22Å; D295-Y355 VanDerWaalsContact OD1-CE1 3.29Å; D295-Y355 WeakPolarHBondContact OD1-CE1 3.49Å; D295-Y355 VanDerWaalsContact OD1-CZ 3.29Å; D295-Y355 PolarHBondContact OD1-OH 3.47Å |
| 296 | E | 97.8 | Very high | 96.7 | Very high | 24 Ų | 24 | 27.1 Ų | 27.1 | 11% | 0.112 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -5.3 | -168.5 | -69.7 | 57.3 | -108 | 0 | 0 | 115.1 | V299 H300 R329 N405 W423 F424 | E296-V299 VanDerWaalsContact CA-O 3.26Å; E296-V299 WeakPolarHBondContact CA-O 3.49Å; E296-V299 PolarHBondContact N-O 3.24Å; E296-H300 IonicContact OE1-CE1 3.72Å; E296-H300 IonicContact OE1-CG 3.65Å; E296-H300 IonicContact OE1-ND1 2.72Å; E296-H300 PolarHBondContact OE1-ND1 3.01Å; E296-R329 PolarHBondContact O-NH1 3.09Å; E296-N405 WeakPolarHBondContact CB-ND2 3.37Å; E296-W423 PolarHBondContact O-N 3Å; E296-F424 HydrophobicContact CG-CD1 4.04Å; E296-F424 HydrophobicContact CG-CE1 3.44Å; E296-F424 VanDerWaalsContact CG-CE1 3.44Å; E296-F424 HydrophobicContact CG-CZ 3.81Å |
| 297 | T | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -50.4 | -179.3 | -64.9 | 0 | 0 | 0 | 0 | 111.7 | D293 D295 R329 N405 I420 | D293-T297 HydrophobicContact CB-CG2 4.17Å; D293-T297 PolarHBondContact OD2-OG1 2.73Å; D295-T297 PolarHBondContact O-N 2.74Å; D295-T297 PolarHBondContact O-OG1 3.23Å; T297-R329 WeakPolarHBondContact O-CD 3.37Å; T297-R329 PolarHBondContact O-NH1 2.92Å; T297-R329 VanDerWaalsContact O-NH1 3.09Å; T297-N405 PolarHBondContact OG1-N 3.02Å; T297-I420 HydrophobicContact CG2-CG2 4.2Å |
| 298 | L | 98.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -25.4 | 178.5 | -60.8 | 178.4 | 0 | 0 | 0 | 113.3 | L292 D293 L294 R329 L347 L432 | L292-L298 HydrophobicContact CB-CD1 4.41Å; L292-L298 HydrophobicContact CD1-CD1 4.27Å; D293-L298 WeakPolarHBondContact O-CD1 3.32Å; L294-L298 PolarHBondContact O-N 3.32Å; L298-R329 VanDerWaalsContact O-CB 3.24Å; L298-R329 WeakPolarHBondContact O-CB 3.46Å; L298-R329 PolarHBondContact O-N 3.14Å; L298-L347 HydrophobicContact CD1-CD1 4.07Å; L298-L432 HydrophobicContact CD2-CD1 3.93Å; L298-L432 HydrophobicContact CD2-CD2 4.05Å |
| 299 | V | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 170.4 | 178.7 | -63.4 | 0 | 0 | 0 | 0 | 110 | L294 E296 V326 R327 L328 L359 L363 | L294-V299 HydrophobicContact CD1-CG2 4.03Å; L294-V299 HydrophobicContact CG-CG2 4.09Å; L294-V299 VanDerWaalsContact O-CG2 3.29Å; L294-V299 WeakPolarHBondContact O-CG2 3.46Å; L294-V299 PolarHBondContact O-N 3.27Å; E296-V299 VanDerWaalsContact CA-O 3.26Å; E296-V299 WeakPolarHBondContact CA-O 3.49Å; E296-V299 PolarHBondContact N-O 3.24Å; V299-V326 HydrophobicContact CB-CG1 4.05Å; V299-V326 HydrophobicContact CG1-CG1 4.16Å; V299-R327 WeakPolarHBondContact CA-O 3.28Å; V299-R327 WeakPolarHBondContact CB-O 3.31Å; V299-L328 HydrophobicContact CG1-CD2 3.72Å; V299-L359 HydrophobicContact CG1-CD2 4.25Å; V299-L359 HydrophobicContact CG2-CD2 3.82Å; V299-L363 HydrophobicContact CG1-CD1 3.96Å |
| 300 | H | 97.2 | Very high | 96.3 | Very high | 28 Ų | 28 | 36.4 Ų | 36.4 | 13% | 0.13 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134 | 160.3 | 171.6 | 56.2 | 0 | 0 | 0 | 108.7 | E296 V326 R327 W423 F424 | E296-H300 IonicContact OE1-CE1 3.72Å; E296-H300 IonicContact OE1-CG 3.65Å; E296-H300 IonicContact OE1-ND1 2.72Å; E296-H300 PolarHBondContact OE1-ND1 3.01Å; H300-V326 WeakPolarHBondContact O-CA 3.43Å; H300-R327 HydrophobicContact CB-CB 4.48Å; H300-R327 PolarHBondContact N-O 3.03Å; H300-R327 PolarHBondContact O-N 2.92Å; H300-W423 HydrophobicContact CB-CE3 3.94Å; H300-W423 HydrophobicContact CB-CZ3 3.87Å; H300-F424 PolarHBondContact CD2-O 2.77Å; H300-F424 VanDerWaalsContact CD2-O 3.23Å; H300-F424 AromaticContact CE1-CD1 3.8Å; H300-F424 AromaticContact ND1-CD1 3.66Å |
| 301 | C | 94.9 | Very high | 96.2 | Very high | 9 Ų | 9 | 38.1 Ų | 38.1 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 140.8 | -169.4 | -68.9 | 0 | 0 | 0 | 0 | 112 | F145 V324 Y325 V326 Y355 | F145-C301 HydrophobicContact CD1-CB 4.26Å; F145-C301 HydrophobicContact CE1-CB 3.75Å; F145-C301 HydrophobicContact CE2-CB 4.42Å; F145-C301 HydrophobicContact CZ-CB 3.84Å; C301-V324 HydrophobicContact CB-CG1 4.47Å; C301-Y325 WeakPolarHBondContact CA-O 3.43Å; C301-V326 VanDerWaalsContact SG-CG2 3.58Å; C301-Y355 HydrophobicContact CB-CE2 4.49Å; C301-Y355 PolarHBondContact SG-OH 3.25Å |
| 302 | S | 93.3 | Very high | 96.2 | Very high | 16 Ų | 16 | 41.7 Ų | 41.7 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 151.5 | -175.8 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | N304 Y325 | S302-N304 WeakPolarHBondContact CB-O 3.05Å; S302-N304 WeakPolarHBondContact OG-CA 3.49Å; S302-N304 PolarHBondContact OG-N 2.89Å; S302-N304 PolarHBondContact OG-O 2.75Å; S302-Y325 PolarHBondContact N-O 2.85Å; S302-Y325 PolarHBondContact O-N 2.88Å |
| 303 | L | 92.5 | Very high | 96.1 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 19% | 0.194 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -95.2 | -17.3 | 165.9 | -57.3 | -175 | 0 | 0 | 0 | 112.1 | L141 F145 Y322 V324 | L141-L303 HydrophobicContact CB-CD1 4.01Å; L141-L303 HydrophobicContact CD2-CD1 3.65Å; L141-L303 HydrophobicContact CG-CD1 4.41Å; F145-L303 HydrophobicContact CE2-CD2 3.9Å; F145-L303 HydrophobicContact CE2-CG 3.74Å; F145-L303 HydrophobicContact CZ-CD2 3.62Å; F145-L303 HydrophobicContact CZ-CG 4.01Å; L303-Y322 HydrophobicContact CD1-CD1 4.07Å; L303-V324 HydrophobicContact CD2-CG2 3.85Å |
| 304 | N | 92.4 | Very high | 96 | Very high | 124 Ų | 124 | 44.7 Ų | 44.7 | 66% | 0.663 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -80.9 | 148 | 165.8 | -59.2 | -28.7 | 0 | 0 | 0 | 109.3 | S302 Y325 | S302-N304 WeakPolarHBondContact CB-O 3.05Å; S302-N304 WeakPolarHBondContact OG-CA 3.49Å; S302-N304 PolarHBondContact OG-N 2.89Å; S302-N304 PolarHBondContact OG-O 2.75Å; N304-Y325 WeakPolarHBondContact O-CD2 3.18Å |
| 305 | E | 94.3 | Very high | 95.9 | Very high | 144 Ų | 144 | 44.9 Ų | 44.9 | 67% | 0.673 | 25% | 0.247 | S | C | * | . | trans | -60.5 | 136.1 | 178.3 | -175.6 | 143.4 | -106.3 | 0 | 0 | 112.4 | Y325 | E305-Y325 HydrophobicContact CB-CD1 4.48Å; E305-Y325 HydrophobicContact CB-CE1 3.89Å; E305-Y325 HydrophobicContact CB-CE2 4.14Å; E305-Y325 HydrophobicContact CG-CD1 4.21Å; E305-Y325 HydrophobicContact CG-CE1 3.52Å; E305-Y325 WeakPolarHBondContact OE1-CE1 3.43Å; E305-Y325 VanDerWaalsContact OE1-CZ 3.27Å; E305-Y325 PolarHBondContact OE1-OH 2.89Å | ||
| 306 | L | 93.1 | Very high | 95.7 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 13% | 0.131 | 27% | 0.273 | C | S | . | . | trans | -118.6 | 115 | 174.5 | -56.3 | 179.1 | 0 | 0 | 0 | 108.6 | D308 A309 R327 | L306-D308 PolarHBondContact O-N 2.88Å; L306-D308 VanDerWaalsContact O-N 3.11Å; L306-A309 HydrophobicContact CB-CB 4.24Å; L306-A309 VanDerWaalsContact O-CB 3.31Å; L306-A309 WeakPolarHBondContact O-CB 3.48Å; L306-A309 PolarHBondContact O-N 3.23Å; L306-R327 HydrophobicContact CD1-CG 4.09Å | ||
| 307 | E | 92.8 | Very high | 95.4 | Very high | 206 Ų | 206 | 50 Ų | 50 | 96% | 0.963 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -30.3 | -177.8 | -61.6 | -177.7 | 167.2 | 0 | 0 | 113.5 | ||
| 308 | D | 94.6 | Very high | 95.1 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 27% | 0.267 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 29.5 | 178.9 | 70.6 | -27.2 | 0 | 0 | 0 | 113.4 | L306 A310 R327 K427 | L306-D308 PolarHBondContact O-N 2.88Å; L306-D308 VanDerWaalsContact O-N 3.11Å; D308-A310 PolarHBondContact O-N 3.33Å; D308-R327 IonicContact OD1-CZ 3.2Å; D308-R327 IonicContact OD1-NE 3.58Å; D308-R327 PolarHBondContact OD1-NE 2.89Å; D308-R327 IonicContact OD1-NH2 2.7Å; D308-R327 PolarHBondContact OD1-NH2 2.96Å; D308-R327 IonicContact OD2-NE 2.74Å; D308-K427 WeakPolarHBondContact OD2-CE 3.33Å; D308-K427 IonicContact OD2-NZ 3.55Å; D308-K427 PolarHBondContact OD2-NZ 3.16Å |
| 309 | A | 96.8 | Very high | 94.9 | Very high | 29 Ų | 29 | 62.4 Ų | 62.4 | 24% | 0.24 | 34% | 0.336 | C | S | . | . | trans | -56.7 | 127 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L306 T312 Y325 V326 | L306-A309 HydrophobicContact CB-CB 4.24Å; L306-A309 VanDerWaalsContact O-CB 3.31Å; L306-A309 WeakPolarHBondContact O-CB 3.48Å; L306-A309 PolarHBondContact O-N 3.23Å; A309-T312 HydrophobicContact CB-CG2 3.98Å; A309-Y325 HydrophobicContact CB-CD1 4.19Å; A309-V326 CarbonylContact C-O 3.6Å | ||
| 310 | A | 97.5 | Very high | 94.6 | Very high | 66 Ų | 66 | 65.7 Ų | 65.7 | 55% | 0.545 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -76.7 | -26.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D308 V326 L328 | D308-A310 PolarHBondContact O-N 3.33Å; A310-V326 PolarHBondContact N-O 3.36Å; A310-L328 HydrophobicContact CB-CD1 3.99Å; A310-L328 HydrophobicContact CB-CG 3.87Å |
| 311 | L | 97.3 | Very high | 94.5 | Very high | 36 Ų | 36 | 70.1 Ų | 70.1 | 19% | 0.188 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 158.4 | 173.2 | 61.5 | 92.5 | 0 | 0 | 0 | 110.8 | F313 V326 L328 L359 I362 L363 | L311-F313 HydrophobicContact CD1-CD1 3.68Å; L311-F313 HydrophobicContact CD1-CE1 3.72Å; L311-V326 HydrophobicContact CD1-CB 3.7Å; L311-V326 HydrophobicContact CD1-CG1 4.26Å; L311-V326 HydrophobicContact CD1-CG2 3.78Å; L311-V326 HydrophobicContact CG-CB 4Å; L311-V326 HydrophobicContact CG-CG1 4.39Å; L311-V326 PolarHBondContact N-O 3.26Å; L311-V326 PolarHBondContact O-N 3.42Å; L311-L328 HydrophobicContact CD2-CD1 4.44Å; L311-L328 HydrophobicContact CD2-CD2 4.22Å; L311-L359 HydrophobicContact CD1-CD1 4.09Å; L311-I362 HydrophobicContact CD2-CG2 3.91Å; L311-L363 HydrophobicContact CD2-CD2 4.04Å |
| 312 | T | 97.8 | Very high | 94.4 | Very high | 75 Ų | 75 | 71.1 Ų | 71.1 | 46% | 0.46 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 151.2 | 176 | 73 | 0 | 0 | 0 | 0 | 110.1 | A309 V324 Y325 | A309-T312 HydrophobicContact CB-CG2 3.98Å; T312-V324 CarbonylContact C-O 3.49Å; T312-V324 WeakPolarHBondContact CA-O 3.46Å; T312-V324 WeakPolarHBondContact CB-O 3.34Å; T312-Y325 HydrophobicContact CG2-CD1 3.5Å; T312-Y325 HydrophobicContact CG2-CE1 3.95Å; T312-Y325 HydrophobicContact CG2-CG 4.2Å |
| 313 | F | 97.8 | Very high | 94.6 | Very high | 10 Ų | 10 | 73.7 Ų | 73.7 | 4% | 0.044 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 147.6 | 172.4 | 56.9 | -86.7 | 0 | 0 | 0 | 113.3 | L311 V315 Q323 V324 V326 Y355 K358 L359 I362 | L311-F313 HydrophobicContact CD1-CD1 3.68Å; L311-F313 HydrophobicContact CD1-CE1 3.72Å; F313-V315 HydrophobicContact CD2-CG2 3.75Å; F313-V315 HydrophobicContact CE2-CG2 3.48Å; F313-V315 VanDerWaalsContact CE2-CG2 3.48Å; F313-Q323 PolarHBondContact O-NE2 2.86Å; F313-V324 HydrophobicContact CD2-CB 4.41Å; F313-V324 HydrophobicContact CE1-CB 4.47Å; F313-V324 HydrophobicContact CE1-CG1 4.26Å; F313-V324 HydrophobicContact CE2-CB 4.13Å; F313-V324 HydrophobicContact CE2-CG1 4.43Å; F313-V324 HydrophobicContact CE2-CG2 4.26Å; F313-V324 HydrophobicContact CZ-CB 4.14Å; F313-V324 HydrophobicContact CZ-CG1 3.98Å; F313-V324 PolarHBondContact N-O 3.48Å; F313-V324 WeakPolarHBondContact O-CB 3.39Å; F313-V324 PolarHBondContact O-N 3.49Å; F313-V326 HydrophobicContact CE1-CG2 3.73Å; F313-V326 HydrophobicContact CZ-CG2 4.39Å; F313-Y355 HydrophobicContact CE2-CD2 4.07Å; F313-Y355 AromaticContact CZ-CD2 3.87Å; F313-Y355 HydrophobicContact CZ-CD2 3.87Å; F313-Y355 AromaticContact CZ-CE2 3.93Å; F313-Y355 HydrophobicContact CZ-CE2 3.93Å; F313-K358 HydrophobicContact CD2-CB 4.5Å; F313-K358 HydrophobicContact CD2-CD 3.66Å; F313-K358 HydrophobicContact CD2-CG 3.84Å; F313-K358 HydrophobicContact CE2-CB 4.21Å; F313-K358 HydrophobicContact CE2-CD 4.19Å; F313-K358 HydrophobicContact CE2-CG 4.03Å; F313-K358 HydrophobicContact CG-CD 4.49Å; F313-L359 HydrophobicContact CE1-CB 4.24Å; F313-L359 HydrophobicContact CE1-CD1 3.95Å; F313-L359 HydrophobicContact CZ-CB 3.83Å; F313-L359 HydrophobicContact CZ-CD1 4.38Å; F313-I362 HydrophobicContact CB-CD1 4.2Å; F313-I362 HydrophobicContact CD1-CD1 3.51Å; F313-I362 HydrophobicContact CE1-CD1 4.04Å; F313-I362 HydrophobicContact CG-CD1 3.86Å |
| 314 | P | 97.1 | Very high | 94.8 | Very high | 56 Ų | 56 | 71.9 Ų | 71.9 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 144.9 | 173.7 | 27.5 | -33.6 | 0 | 0 | 0 | 112.5 | I321 Y322 K358 | P314-I321 HydrophobicContact CB-CG2 3.55Å; P314-Y322 CarbonylContact C-O 3.57Å; P314-Y322 WeakPolarHBondContact CA-O 3.46Å; P314-K358 WeakPolarHBondContact O-CE 3.28Å; P314-K358 PolarHBondContact O-NZ 3.33Å |
| 315 | V | 95.8 | Very high | 95 | Very high | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 124.3 | 171.6 | 177.4 | 0 | 0 | 0 | 0 | 108.6 | F313 I321 Y322 V324 V354 | F313-V315 HydrophobicContact CD2-CG2 3.75Å; F313-V315 HydrophobicContact CE2-CG2 3.48Å; F313-V315 VanDerWaalsContact CE2-CG2 3.48Å; V315-I321 WeakPolarHBondContact O-CA 3.32Å; V315-Y322 PolarHBondContact N-O 3.33Å; V315-Y322 PolarHBondContact O-N 3.08Å; V315-V324 HydrophobicContact CB-CG2 4.32Å; V315-V324 HydrophobicContact CG2-CG2 3.65Å; V315-V354 HydrophobicContact CG1-CB 4.29Å; V315-V354 HydrophobicContact CG1-CG2 3.92Å |
| 316 | L | 93.1 | Very high | 95.2 | Very high | 104 Ų | 104 | 60.9 Ų | 60.9 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 123.7 | 170.8 | -177.6 | 67.9 | 0 | 0 | 0 | 108.8 | V320 I321 | L316-V320 WeakPolarHBondContact CA-O 3.45Å; L316-I321 HydrophobicContact CD1-CG1 3.8Å |
| 317 | F | 91.1 | Very high | 95.4 | Very high | 30 Ų | 30 | 61.1 Ų | 61.1 | 13% | 0.132 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 127.2 | 177.5 | -178.3 | -111.6 | 0 | 0 | 0 | 109.7 | T143 I144 D319 V320 Y322 K352 V354 | T143-F317 HydrophobicContact CG2-CE1 4.04Å; T143-F317 HydrophobicContact CG2-CZ 3.86Å; I144-F317 HydrophobicContact CD1-CB 4.01Å; I144-F317 HydrophobicContact CD1-CD1 3.74Å; I144-F317 HydrophobicContact CD1-CG 4.11Å; I144-F317 HydrophobicContact CG1-CB 4.39Å; I144-F317 HydrophobicContact CG1-CD1 3.49Å; I144-F317 VanDerWaalsContact CG1-CD1 3.49Å; I144-F317 HydrophobicContact CG1-CE1 3.87Å; I144-F317 HydrophobicContact CG1-CG 3.98Å; F317-D319 PolarHBondContact O-N 3.08Å; F317-V320 PolarHBondContact N-O 2.77Å; F317-V320 PolarHBondContact O-N 3.11Å; F317-V320 VanDerWaalsContact O-N 3.13Å; F317-Y322 HydrophobicContact CB-CD2 4.16Å; F317-Y322 HydrophobicContact CB-CE2 4.12Å; F317-Y322 HydrophobicContact CD1-CE2 4.32Å; F317-Y322 WeakPolarHBondContact O-CE2 3.31Å; F317-K352 HydrophobicContact CE2-CG 4.48Å; F317-V354 HydrophobicContact CB-CG2 4.42Å; F317-V354 HydrophobicContact CD2-CG2 3.87Å; F317-V354 HydrophobicContact CG-CG2 4.49Å |
| 318 | Q | 92.1 | Very high | 95.7 | Very high | 110 Ų | 110 | 53.7 Ų | 53.7 | 51% | 0.514 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 48.9 | -175 | -59.8 | 177.2 | -80.8 | 0 | 0 | 111.8 | V320 | Q318-V320 PolarHBondContact O-N 2.77Š|
| 319 | D | 92.9 | Very high | 95.9 | Very high | 153 Ų | 153 | 51.3 Ų | 51.3 | 82% | 0.818 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 1.9 | -178.4 | -56.6 | -53.1 | 0 | 0 | 0 | 117.4 | F317 | F317-D319 PolarHBondContact O-N 3.08Š|
| 320 | V | 92.9 | Very high | 95.9 | Very high | 69 Ų | 69 | 51.1 Ų | 51.1 | 42% | 0.418 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 140.7 | 172.5 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | L316 F317 Q318 Y322 | L316-V320 WeakPolarHBondContact CA-O 3.45Å; F317-V320 PolarHBondContact N-O 2.77Å; F317-V320 PolarHBondContact O-N 3.11Å; F317-V320 VanDerWaalsContact O-N 3.13Å; Q318-V320 PolarHBondContact O-N 2.77Å; V320-Y322 HydrophobicContact CB-CD2 4.4Å; V320-Y322 HydrophobicContact CB-CE2 3.64Å; V320-Y322 HydrophobicContact CG1-CD1 4.31Å; V320-Y322 HydrophobicContact CG1-CD2 4.15Å; V320-Y322 HydrophobicContact CG1-CE1 3.79Å; V320-Y322 HydrophobicContact CG1-CE2 3.63Å; V320-Y322 HydrophobicContact CG1-CG 4.47Å; V320-Y322 VanDerWaalsContact CG1-CZ 3.43Å |
| 321 | I | 94.3 | Very high | 96 | Very high | 121 Ų | 121 | 51.7 Ų | 51.7 | 62% | 0.621 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 112.3 | 174.5 | -60.6 | 177 | 0 | 0 | 0 | 109.4 | P314 V315 L316 | P314-I321 HydrophobicContact CB-CG2 3.55Å; V315-I321 WeakPolarHBondContact O-CA 3.32Å; L316-I321 HydrophobicContact CD1-CG1 3.8Å |
| 322 | Y | 93.8 | Very high | 96 | Very high | 29 Ų | 29 | 50.9 Ų | 50.9 | 11% | 0.114 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 126.1 | 176.5 | -61.5 | -83 | 0 | 0 | 0 | 110.6 | L141 I144 L303 P314 V315 F317 V320 V324 | L141-Y322 HydrophobicContact CD2-CD1 3.96Å; L141-Y322 HydrophobicContact CD2-CE1 3.58Å; I144-Y322 HydrophobicContact CD1-CD1 4.45Å; I144-Y322 HydrophobicContact CD1-CD2 3.45Å; I144-Y322 VanDerWaalsContact CD1-CD2 3.45Å; I144-Y322 HydrophobicContact CD1-CE2 3.84Å; I144-Y322 HydrophobicContact CD1-CG 3.78Å; L303-Y322 HydrophobicContact CD1-CD1 4.07Å; P314-Y322 CarbonylContact C-O 3.57Å; P314-Y322 WeakPolarHBondContact CA-O 3.46Å; V315-Y322 PolarHBondContact N-O 3.33Å; V315-Y322 PolarHBondContact O-N 3.08Å; F317-Y322 HydrophobicContact CB-CD2 4.16Å; F317-Y322 HydrophobicContact CB-CE2 4.12Å; F317-Y322 HydrophobicContact CD1-CE2 4.32Å; F317-Y322 WeakPolarHBondContact O-CE2 3.31Å; V320-Y322 HydrophobicContact CB-CD2 4.4Å; V320-Y322 HydrophobicContact CB-CE2 3.64Å; V320-Y322 HydrophobicContact CG1-CD1 4.31Å; V320-Y322 HydrophobicContact CG1-CD2 4.15Å; V320-Y322 HydrophobicContact CG1-CE1 3.79Å; V320-Y322 HydrophobicContact CG1-CE2 3.63Å; V320-Y322 HydrophobicContact CG1-CG 4.47Å; V320-Y322 VanDerWaalsContact CG1-CZ 3.43Å; Y322-V324 PolarHBondContact O-N 3.38Å |
| 323 | Q | 96.2 | Very high | 96 | Very high | 70 Ų | 70 | 51.4 Ų | 51.4 | 33% | 0.327 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 112.2 | 174.5 | -177.4 | 50.8 | 66 | 0 | 0 | 109.5 | F313 Y325 | F313-Q323 PolarHBondContact O-NE2 2.86Å; Q323-Y325 HydrophobicContact CB-CE2 4.28Å; Q323-Y325 HydrophobicContact CG-CD2 4.42Å; Q323-Y325 HydrophobicContact CG-CE2 3.7Å |
| 324 | V | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 135.3 | 178.1 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | F145 C301 L303 T312 F313 V315 Y322 V326 Y355 | F145-V324 HydrophobicContact CE1-CG1 4.13Å; F145-V324 HydrophobicContact CE1-CG2 4.42Å; F145-V324 HydrophobicContact CZ-CG1 4.01Å; F145-V324 HydrophobicContact CZ-CG2 4.35Å; C301-V324 HydrophobicContact CB-CG1 4.47Å; L303-V324 HydrophobicContact CD2-CG2 3.85Å; T312-V324 CarbonylContact C-O 3.49Å; T312-V324 WeakPolarHBondContact CA-O 3.46Å; T312-V324 WeakPolarHBondContact CB-O 3.34Å; F313-V324 HydrophobicContact CD2-CB 4.41Å; F313-V324 HydrophobicContact CE1-CB 4.47Å; F313-V324 HydrophobicContact CE1-CG1 4.26Å; F313-V324 HydrophobicContact CE2-CB 4.13Å; F313-V324 HydrophobicContact CE2-CG1 4.43Å; F313-V324 HydrophobicContact CE2-CG2 4.26Å; F313-V324 HydrophobicContact CZ-CB 4.14Å; F313-V324 HydrophobicContact CZ-CG1 3.98Å; F313-V324 PolarHBondContact N-O 3.48Å; F313-V324 WeakPolarHBondContact O-CB 3.39Å; F313-V324 PolarHBondContact O-N 3.49Å; V315-V324 HydrophobicContact CB-CG2 4.32Å; V315-V324 HydrophobicContact CG2-CG2 3.65Å; Y322-V324 PolarHBondContact O-N 3.38Å; V324-V326 HydrophobicContact CG1-CG2 3.75Å; V324-Y355 HydrophobicContact CG1-CD2 4.35Å; V324-Y355 HydrophobicContact CG1-CE2 4.18Å; V324-Y355 HydrophobicContact CG2-CD2 4.39Å |
| 325 | Y | 97.2 | Very high | 96.1 | Very high | 36 Ų | 36 | 53 Ų | 53 | 14% | 0.141 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.1 | 173.2 | -65 | -98.5 | 0 | 0 | 0 | 109.1 | C301 S302 N304 E305 A309 T312 Q323 | C301-Y325 WeakPolarHBondContact CA-O 3.43Å; S302-Y325 PolarHBondContact N-O 2.85Å; S302-Y325 PolarHBondContact O-N 2.88Å; N304-Y325 WeakPolarHBondContact O-CD2 3.18Å; E305-Y325 HydrophobicContact CB-CD1 4.48Å; E305-Y325 HydrophobicContact CB-CE1 3.89Å; E305-Y325 HydrophobicContact CB-CE2 4.14Å; E305-Y325 HydrophobicContact CG-CD1 4.21Å; E305-Y325 HydrophobicContact CG-CE1 3.52Å; E305-Y325 WeakPolarHBondContact OE1-CE1 3.43Å; E305-Y325 VanDerWaalsContact OE1-CZ 3.27Å; E305-Y325 PolarHBondContact OE1-OH 2.89Å; A309-Y325 HydrophobicContact CB-CD1 4.19Å; T312-Y325 HydrophobicContact CG2-CD1 3.5Å; T312-Y325 HydrophobicContact CG2-CE1 3.95Å; T312-Y325 HydrophobicContact CG2-CG 4.2Å; Q323-Y325 HydrophobicContact CB-CE2 4.28Å; Q323-Y325 HydrophobicContact CG-CD2 4.42Å; Q323-Y325 HydrophobicContact CG-CE2 3.7Å |
| 326 | V | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 127.8 | -171.8 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | V299 H300 C301 A309 A310 L311 F313 V324 L328 L359 | V299-V326 HydrophobicContact CB-CG1 4.05Å; V299-V326 HydrophobicContact CG1-CG1 4.16Å; H300-V326 WeakPolarHBondContact O-CA 3.43Å; C301-V326 VanDerWaalsContact SG-CG2 3.58Å; A309-V326 CarbonylContact C-O 3.6Å; A310-V326 PolarHBondContact N-O 3.36Å; L311-V326 HydrophobicContact CD1-CB 3.7Å; L311-V326 HydrophobicContact CD1-CG1 4.26Å; L311-V326 HydrophobicContact CD1-CG2 3.78Å; L311-V326 HydrophobicContact CG-CB 4Å; L311-V326 HydrophobicContact CG-CG1 4.39Å; L311-V326 PolarHBondContact N-O 3.26Å; L311-V326 PolarHBondContact O-N 3.42Å; F313-V326 HydrophobicContact CE1-CG2 3.73Å; F313-V326 HydrophobicContact CZ-CG2 4.39Å; V324-V326 HydrophobicContact CG1-CG2 3.75Å; V326-L328 HydrophobicContact CG1-CD2 3.95Å; V326-L359 HydrophobicContact CG1-CD1 4.21Å; V326-L359 HydrophobicContact CG2-CD1 4.37Å |
| 327 | R | 97.9 | Very high | 96.5 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 12% | 0.117 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 148.9 | 161.3 | -61.4 | 176.2 | 175.8 | 130.4 | 3.9 | 109.6 | V299 H300 L306 D308 W423 F424 | V299-R327 WeakPolarHBondContact CA-O 3.28Å; V299-R327 WeakPolarHBondContact CB-O 3.31Å; H300-R327 HydrophobicContact CB-CB 4.48Å; H300-R327 PolarHBondContact N-O 3.03Å; H300-R327 PolarHBondContact O-N 2.92Å; L306-R327 HydrophobicContact CD1-CG 4.09Å; D308-R327 IonicContact OD1-CZ 3.2Å; D308-R327 IonicContact OD1-NE 3.58Å; D308-R327 PolarHBondContact OD1-NE 2.89Å; D308-R327 IonicContact OD1-NH2 2.7Å; D308-R327 PolarHBondContact OD1-NH2 2.96Å; D308-R327 IonicContact OD2-NE 2.74Å; R327-W423 HydrophobicContact CB-CH2 3.63Å; R327-W423 HydrophobicContact CB-CZ3 3.76Å; R327-F424 WeakPolarHBondContact CD-O 3.34Å; R327-F424 PolarHBondContact NH1-O 2.76Å |
| 328 | L | 98.4 | Very high | 96.9 | Very high | 49 Ų | 49 | 55 Ų | 55 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 129.9 | 179.5 | -53.6 | 176 | 0 | 0 | 0 | 109.3 | V299 A310 L311 V326 F332 L363 W423 | V299-L328 HydrophobicContact CG1-CD2 3.72Å; A310-L328 HydrophobicContact CB-CD1 3.99Å; A310-L328 HydrophobicContact CB-CG 3.87Å; L311-L328 HydrophobicContact CD2-CD1 4.44Å; L311-L328 HydrophobicContact CD2-CD2 4.22Å; V326-L328 HydrophobicContact CG1-CD2 3.95Å; L328-F332 HydrophobicContact CB-CD1 3.95Å; L328-F332 HydrophobicContact CB-CE1 3.77Å; L328-F332 HydrophobicContact CB-CZ 4.49Å; L328-F332 HydrophobicContact CD1-CE1 3.76Å; L328-F332 HydrophobicContact CD1-CZ 4.01Å; L328-F332 HydrophobicContact CD2-CE1 4.42Å; L328-F332 HydrophobicContact CD2-CZ 4.33Å; L328-F332 HydrophobicContact CG-CE1 4.18Å; L328-F332 HydrophobicContact CG-CZ 4.5Å; L328-L363 HydrophobicContact CD2-CD2 3.63Å; L328-W423 WeakPolarHBondContact O-CH2 3.46Å |
| 329 | R | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | trans | -62.3 | 137.9 | 178.7 | -170.5 | 171.2 | -169.3 | 149.3 | 14.4 | 109.6 | E296 T297 L298 F331 F332 E421 W423 D429 L432 | E296-R329 PolarHBondContact O-NH1 3.09Å; T297-R329 WeakPolarHBondContact O-CD 3.37Å; T297-R329 PolarHBondContact O-NH1 2.92Å; T297-R329 VanDerWaalsContact O-NH1 3.09Å; L298-R329 VanDerWaalsContact O-CB 3.24Å; L298-R329 WeakPolarHBondContact O-CB 3.46Å; L298-R329 PolarHBondContact O-N 3.14Å; R329-F331 PolarHBondContact O-N 2.96Å; R329-F332 WeakPolarHBondContact O-CB 3.23Å; R329-F332 WeakPolarHBondContact O-CD1 3.29Å; R329-F332 PolarHBondContact O-N 2.7Å; R329-E421 VanDerWaalsContact CZ-O 3.31Å; R329-E421 PolarHBondContact NH1-O 3.02Å; R329-E421 PolarHBondContact NH2-O 2.88Å; R329-W423 HydrophobicContact CB-CD2 3.88Å; R329-W423 HydrophobicContact CB-CE3 3.85Å; R329-W423 HydrophobicContact CB-CG 4.31Å; R329-W423 HydrophobicContact CB-CZ3 4.22Å; R329-W423 HydrophobicContact CG-CB 4.18Å; R329-W423 HydrophobicContact CG-CD2 3.79Å; R329-W423 HydrophobicContact CG-CE3 4.27Å; R329-W423 HydrophobicContact CG-CG 3.73Å; R329-W423 VanDerWaalsContact CZ-CB 3.47Å; R329-D429 IonicContact CZ-OD1 3.8Å; R329-D429 IonicContact CZ-OD2 2.73Å; R329-D429 VanDerWaalsContact NE-CG 3.33Å; R329-D429 IonicContact NE-OD1 2.76Å; R329-D429 PolarHBondContact NE-OD1 3.19Å; R329-D429 IonicContact NE-OD2 2.66Å; R329-D429 PolarHBondContact NE-OD2 3.21Å; R329-D429 IonicContact NH2-OD1 3.62Å; R329-D429 IonicContact NH2-OD2 2.58Å; R329-D429 PolarHBondContact NH2-OD2 3Å; R329-L432 HydrophobicContact CB-CD1 4.34Å; R329-L432 HydrophobicContact CG-CD1 4.13Å | ||
| 330 | P | 98.6 | Very high | 97.4 | Very high | 24 Ų | 24 | 44.1 Ų | 44.1 | 16% | 0.156 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 138.3 | 172.9 | -30.7 | 36.7 | 0 | 0 | 0 | 111.9 | F332 D429 | P330-F332 PolarHBondContact O-N 2.81Å; P330-F332 VanDerWaalsContact O-N 3.11Å; P330-D429 WeakPolarHBondContact CB-O 3.47Å; P330-D429 HydrophobicContact CG-CB 4.06Å |
| 331 | F | 98.6 | Very high | 97.6 | Very high | 79 Ų | 79 | 46.9 Ų | 46.9 | 35% | 0.346 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 10.6 | 177.8 | -42.2 | -72.9 | 0 | 0 | 0 | 116.7 | R329 R333 E334 F335 D429 N430 L433 | R329-F331 PolarHBondContact O-N 2.96Å; F331-R333 PolarHBondContact O-N 2.91Å; F331-E334 WeakPolarHBondContact CA-OE2 3.37Å; F331-E334 PolarHBondContact O-N 3.47Å; F331-F335 VanDerWaalsContact O-CB 3.31Å; F331-F335 WeakPolarHBondContact O-CB 3.47Å; F331-F335 PolarHBondContact O-N 2.78Å; F331-D429 WeakPolarHBondContact CE2-O 3.49Å; F331-N430 HydrophobicContact CD2-CB 4.48Å; F331-N430 HydrophobicContact CE2-CB 4.23Å; F331-L433 HydrophobicContact CB-CD1 4.23Å; F331-L433 HydrophobicContact CB-CD2 3.72Å; F331-L433 HydrophobicContact CB-CG 3.72Å; F331-L433 HydrophobicContact CD1-CD1 3.79Å; F331-L433 HydrophobicContact CD1-CD2 4.34Å; F331-L433 HydrophobicContact CD1-CG 4.24Å; F331-L433 HydrophobicContact CD2-CD1 3.52Å; F331-L433 HydrophobicContact CD2-CG 3.71Å; F331-L433 HydrophobicContact CE1-CD1 3.98Å; F331-L433 HydrophobicContact CE2-CD1 3.73Å; F331-L433 HydrophobicContact CE2-CG 4.41Å; F331-L433 HydrophobicContact CG-CD1 3.54Å; F331-L433 HydrophobicContact CG-CD2 3.95Å; F331-L433 HydrophobicContact CG-CG 3.6Å; F331-L433 HydrophobicContact CZ-CD1 3.95Å |
| 332 | F | 97.9 | Very high | 97.8 | Very high | 18 Ų | 18 | 42.7 Ų | 42.7 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -34.3 | -179.7 | 89.6 | -73.8 | 0 | 0 | 0 | 113.1 | L328 R329 P330 L336 L363 L432 | L328-F332 HydrophobicContact CB-CD1 3.95Å; L328-F332 HydrophobicContact CB-CE1 3.77Å; L328-F332 HydrophobicContact CB-CZ 4.49Å; L328-F332 HydrophobicContact CD1-CE1 3.76Å; L328-F332 HydrophobicContact CD1-CZ 4.01Å; L328-F332 HydrophobicContact CD2-CE1 4.42Å; L328-F332 HydrophobicContact CD2-CZ 4.33Å; L328-F332 HydrophobicContact CG-CE1 4.18Å; L328-F332 HydrophobicContact CG-CZ 4.5Å; R329-F332 WeakPolarHBondContact O-CB 3.23Å; R329-F332 WeakPolarHBondContact O-CD1 3.29Å; R329-F332 PolarHBondContact O-N 2.7Å; P330-F332 PolarHBondContact O-N 2.81Å; P330-F332 VanDerWaalsContact O-N 3.11Å; F332-L336 HydrophobicContact CD2-CD1 4.02Å; F332-L336 HydrophobicContact CE2-CD1 4.41Å; F332-L336 WeakPolarHBondContact O-CB 3.46Å; F332-L336 VanDerWaalsContact O-CG 3.24Å; F332-L336 WeakPolarHBondContact O-CG 3.28Å; F332-L336 PolarHBondContact O-N 2.58Å; F332-L336 VanDerWaalsContact O-N 3.07Å; F332-L363 HydrophobicContact CE2-CB 4.44Å; F332-L363 HydrophobicContact CE2-CD1 4.18Å; F332-L363 HydrophobicContact CE2-CD2 4.15Å; F332-L363 HydrophobicContact CE2-CG 4.49Å; F332-L363 HydrophobicContact CZ-CD2 4.09Å; F332-L432 HydrophobicContact CB-CD1 3.82Å |
| 333 | R | 97.7 | Very high | 98.1 | Very high | 87 Ų | 87 | 41.5 Ų | 41.5 | 33% | 0.328 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -71.2 | -49.5 | 179.2 | 171 | 162.3 | -64.5 | -67.7 | -8.6 | 110.5 | F331 F335 L336 E337 L363 | F331-R333 PolarHBondContact O-N 2.91Å; R333-F335 VanDerWaalsContact C-N 3.28Å; R333-F335 PolarHBondContact O-N 3.08Å; R333-L336 PolarHBondContact O-N 3.31Å; R333-E337 VanDerWaalsContact CD-OE1 3.24Å; R333-E337 WeakPolarHBondContact CD-OE1 3.31Å; R333-E337 VanDerWaalsContact CG-CD 3.45Å; R333-E337 HydrophobicContact CG-CG 4.25Å; R333-E337 WeakPolarHBondContact CG-OE1 3.41Å; R333-E337 IonicContact CZ-OE1 2.76Å; R333-E337 IonicContact NE-OE1 3.49Å; R333-E337 IonicContact NH1-OE1 3.71Å; R333-E337 PolarHBondContact NH1-OE1 3.12Å; R333-E337 VanDerWaalsContact O-CB 3.28Å; R333-E337 WeakPolarHBondContact O-CB 3.33Å; R333-E337 WeakPolarHBondContact O-CG 3.42Å; R333-E337 PolarHBondContact O-N 3.22Å; R333-L363 PolarHBondContact NH2-O 2.98Å |
| 334 | E | 98.5 | Very high | 98.2 | Very high | 98 Ų | 98 | 38.2 Ų | 38.2 | 46% | 0.458 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.1 | -38.9 | 179.3 | -61.6 | 93.1 | 132.4 | 0 | 0 | 111.1 | F331 R338 | F331-E334 WeakPolarHBondContact CA-OE2 3.37Å; F331-E334 PolarHBondContact O-N 3.47Å; E334-R338 VanDerWaalsContact O-CB 3.28Å; E334-R338 WeakPolarHBondContact O-CB 3.48Å; E334-R338 PolarHBondContact O-N 3.11Å |
| 335 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.8 | -53.5 | 171.3 | 179.6 | -97.4 | 0 | 0 | 0 | 112.2 | L290 L292 F331 R333 E337 R338 M339 I403 L432 L435 I436 L439 | L290-F335 HydrophobicContact CD2-CZ 4.3Å; L292-F335 HydrophobicContact CD1-CE1 3.99Å; L292-F335 HydrophobicContact CD2-CE1 3.93Å; L292-F335 HydrophobicContact CD2-CZ 4.33Å; F331-F335 VanDerWaalsContact O-CB 3.31Å; F331-F335 WeakPolarHBondContact O-CB 3.47Å; F331-F335 PolarHBondContact O-N 2.78Å; R333-F335 VanDerWaalsContact C-N 3.28Å; R333-F335 PolarHBondContact O-N 3.08Å; F335-E337 PolarHBondContact O-N 3.08Å; F335-R338 PolarHBondContact O-N 3.44Å; F335-M339 HydrophobicContact CD1-CG 4.35Å; F335-M339 HydrophobicContact CD2-CG 4.19Å; F335-M339 HydrophobicContact CE1-CG 4.05Å; F335-M339 HydrophobicContact CE2-CG 3.89Å; F335-M339 HydrophobicContact CG-CG 4.41Å; F335-M339 HydrophobicContact CZ-CG 3.81Å; F335-M339 WeakPolarHBondContact O-CB 3.28Å; F335-M339 VanDerWaalsContact O-CG 3.29Å; F335-M339 WeakPolarHBondContact O-CG 3.45Å; F335-M339 PolarHBondContact O-N 3.26Å; F335-I403 HydrophobicContact CZ-CD1 3.83Å; F335-L432 HydrophobicContact CB-CB 4.08Å; F335-L432 HydrophobicContact CB-CD1 4.48Å; F335-L432 HydrophobicContact CD1-CD2 4.27Å; F335-L432 HydrophobicContact CD2-CB 4Å; F335-L432 HydrophobicContact CD2-CD2 4.49Å; F335-L432 WeakPolarHBondContact CD2-O 3.45Å; F335-L432 HydrophobicContact CE1-CD2 4.35Å; F335-L432 HydrophobicContact CG-CB 4.04Å; F335-L432 HydrophobicContact CG-CD2 4.34Å; F335-L435 HydrophobicContact CE2-CB 4.34Å; F335-I436 HydrophobicContact CD2-CD1 4.21Å; F335-I436 HydrophobicContact CD2-CG1 3.7Å; F335-I436 HydrophobicContact CE2-CG1 4.2Å; F335-L439 HydrophobicContact CE2-CD1 3.73Å; F335-L439 HydrophobicContact CZ-CD1 3.81Å |
| 336 | L | 98.6 | Very high | 98.3 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.5 | -38.6 | 179.1 | -71.2 | 172.7 | 0 | 0 | 0 | 112.6 | L292 F332 R333 R338 S340 I345 L369 | L292-L336 HydrophobicContact CD1-CD2 3.5Å; F332-L336 HydrophobicContact CD2-CD1 4.02Å; F332-L336 HydrophobicContact CE2-CD1 4.41Å; F332-L336 WeakPolarHBondContact O-CB 3.46Å; F332-L336 VanDerWaalsContact O-CG 3.24Å; F332-L336 WeakPolarHBondContact O-CG 3.28Å; F332-L336 PolarHBondContact O-N 2.58Å; F332-L336 VanDerWaalsContact O-N 3.07Å; R333-L336 PolarHBondContact O-N 3.31Å; L336-R338 VanDerWaalsContact C-N 3.34Å; L336-S340 WeakPolarHBondContact O-CB 3.27Å; L336-S340 PolarHBondContact O-N 3.22Å; L336-S340 PolarHBondContact O-OG 3.11Å; L336-I345 HydrophobicContact CD2-CD1 3.83Å; L336-I345 HydrophobicContact CD2-CG2 4.31Å; L336-L369 HydrophobicContact CB-CB 4.36Å; L336-L369 HydrophobicContact CB-CD1 4Å |
| 337 | E | 98.3 | Very high | 98.4 | Very high | 85 Ų | 85 | 36.7 Ų | 36.7 | 40% | 0.397 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -69.9 | -29.7 | 177.8 | -77.5 | 173 | -166.1 | 0 | 0 | 112.1 | R333 F335 Q341 L369 | R333-E337 VanDerWaalsContact CD-OE1 3.24Å; R333-E337 WeakPolarHBondContact CD-OE1 3.31Å; R333-E337 VanDerWaalsContact CG-CD 3.45Å; R333-E337 HydrophobicContact CG-CG 4.25Å; R333-E337 WeakPolarHBondContact CG-OE1 3.41Å; R333-E337 IonicContact CZ-OE1 2.76Å; R333-E337 IonicContact NE-OE1 3.49Å; R333-E337 IonicContact NH1-OE1 3.71Å; R333-E337 PolarHBondContact NH1-OE1 3.12Å; R333-E337 VanDerWaalsContact O-CB 3.28Å; R333-E337 WeakPolarHBondContact O-CB 3.33Å; R333-E337 WeakPolarHBondContact O-CG 3.42Å; R333-E337 PolarHBondContact O-N 3.22Å; F335-E337 PolarHBondContact O-N 3.08Å; E337-Q341 WeakPolarHBondContact O-CG 3.31Å; E337-Q341 PolarHBondContact O-NE2 2.98Å; E337-L369 HydrophobicContact CB-CD2 4.41Å; E337-L369 HydrophobicContact CG-CD1 4.13Å; E337-L369 HydrophobicContact CG-CD2 3.58Å |
| 338 | R | 98.5 | Very high | 98.4 | Very high | 85 Ų | 85 | 35.2 Ų | 35.2 | 32% | 0.321 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -79.3 | -47.7 | 171.4 | -175.8 | 56.6 | -176.4 | 134.6 | 6.6 | 112.3 | E334 F335 L336 Q341 M342 I436 E440 | E334-R338 VanDerWaalsContact O-CB 3.28Å; E334-R338 WeakPolarHBondContact O-CB 3.48Å; E334-R338 PolarHBondContact O-N 3.11Å; F335-R338 PolarHBondContact O-N 3.44Å; L336-R338 VanDerWaalsContact C-N 3.34Å; R338-Q341 WeakPolarHBondContact O-CB 3.45Å; R338-Q341 PolarHBondContact O-N 3.26Å; R338-M342 HydrophobicContact CG-CE 4.17Å; R338-I436 HydrophobicContact CG-CG2 4.13Å; R338-E440 IonicContact CZ-OE1 3.64Å; R338-E440 IonicContact NE-OE1 2.68Å; R338-E440 PolarHBondContact NE-OE1 2.9Å; R338-E440 IonicContact NH2-OE1 2.76Å; R338-E440 PolarHBondContact NH2-OE1 3.25Å |
| 339 | M | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.9 | -35.6 | -176 | -70.4 | -60.6 | 104.8 | 0 | 0 | 113.2 | L290 F335 Q341 M342 Y343 I345 I436 L439 E440 | L290-M339 HydrophobicContact CD2-CB 3.94Å; L290-M339 HydrophobicContact CD2-CG 3.82Å; L290-M339 HydrophobicContact CD2-SD 4.06Å; F335-M339 HydrophobicContact CD1-CG 4.35Å; F335-M339 HydrophobicContact CD2-CG 4.19Å; F335-M339 HydrophobicContact CE1-CG 4.05Å; F335-M339 HydrophobicContact CE2-CG 3.89Å; F335-M339 HydrophobicContact CG-CG 4.41Å; F335-M339 HydrophobicContact CZ-CG 3.81Å; F335-M339 WeakPolarHBondContact O-CB 3.28Å; F335-M339 VanDerWaalsContact O-CG 3.29Å; F335-M339 WeakPolarHBondContact O-CG 3.45Å; F335-M339 PolarHBondContact O-N 3.26Å; M339-Q341 PolarHBondContact O-N 2.94Å; M339-Q341 VanDerWaalsContact O-N 3.08Å; M339-M342 HydrophobicContact CE-CE 3.51Å; M339-M342 PolarHBondContact O-N 2.91Å; M339-M342 HydrophobicContact SD-CE 4.44Å; M339-Y343 HydrophobicContact CB-CD2 4.45Å; M339-Y343 PolarHBondContact O-N 3.34Å; M339-Y343 HydrophobicContact SD-CD2 3.79Å; M339-Y343 HydrophobicContact SD-CE2 3.7Å; M339-I345 HydrophobicContact CB-CD1 3.91Å; M339-I436 HydrophobicContact CE-CB 4.36Å; M339-I436 HydrophobicContact CE-CG1 4.23Å; M339-I436 HydrophobicContact CE-CG2 3.96Å; M339-L439 HydrophobicContact CE-CB 4.21Å; M339-L439 HydrophobicContact CE-CD1 4.49Å; M339-L439 HydrophobicContact CG-CD1 4.39Å; M339-L439 HydrophobicContact SD-CB 3.68Å; M339-L439 HydrophobicContact SD-CD1 3.52Å; M339-L439 VanDerWaalsContact SD-CD1 3.52Å; M339-L439 HydrophobicContact SD-CG 4.22Å; M339-E440 HydrophobicContact CE-CG 4.45Å |
| 340 | S | 97.9 | Very high | 98.3 | Very high | 33 Ų | 33 | 33 Ų | 33 | 23% | 0.231 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -14 | -178.8 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | L336 | L336-S340 WeakPolarHBondContact O-CB 3.27Å; L336-S340 PolarHBondContact O-N 3.22Å; L336-S340 PolarHBondContact O-OG 3.11Å |
| 341 | Q | 97.7 | Very high | 98.2 | Very high | 127 Ų | 127 | 31.9 Ų | 31.9 | 59% | 0.593 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -22.4 | 173.2 | -57 | 169.8 | 24.4 | 0 | 0 | 113.1 | E337 R338 M339 | E337-Q341 WeakPolarHBondContact O-CG 3.31Å; E337-Q341 PolarHBondContact O-NE2 2.98Å; R338-Q341 WeakPolarHBondContact O-CB 3.45Å; R338-Q341 PolarHBondContact O-N 3.26Å; M339-Q341 PolarHBondContact O-N 2.94Å; M339-Q341 VanDerWaalsContact O-N 3.08Å |
| 342 | M | 98.1 | Very high | 98.1 | Very high | 34 Ų | 34 | 31 Ų | 31 | 17% | 0.167 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -22.5 | -169.3 | -62.5 | 176.3 | -65.6 | 0 | 0 | 113.1 | P286 R338 M339 E440 V443 | P286-M342 VanDerWaalsContact CB-O 3.29Å; P286-M342 WeakPolarHBondContact CB-O 3.16Å; R338-M342 HydrophobicContact CG-CE 4.17Å; M339-M342 HydrophobicContact CE-CE 3.51Å; M339-M342 PolarHBondContact O-N 2.91Å; M339-M342 HydrophobicContact SD-CE 4.44Å; M342-E440 HydrophobicContact CE-CG 3.74Å; M342-E440 HydrophobicContact SD-CG 4.11Å; M342-V443 HydrophobicContact CB-CG2 4.42Å |
| 343 | Y | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -124.9 | 145.3 | -175.8 | -71.2 | -87.3 | 0 | 0 | 0 | 112.6 | F288 L290 M339 I345 I401 L439 V443 | F288-Y343 HydrophobicContact CB-CD1 3.45Å; F288-Y343 VanDerWaalsContact CB-CD1 3.45Å; F288-Y343 HydrophobicContact CB-CE1 3.58Å; F288-Y343 HydrophobicContact CB-CG 4.43Å; F288-Y343 HydrophobicContact CD1-CE1 4.34Å; F288-Y343 HydrophobicContact CG-CE1 4.21Å; L290-Y343 HydrophobicContact CB-CD1 3.62Å; L290-Y343 HydrophobicContact CB-CD2 4.42Å; L290-Y343 HydrophobicContact CB-CE1 4.3Å; L290-Y343 HydrophobicContact CB-CG 3.66Å; L290-Y343 HydrophobicContact CD2-CD2 4.28Å; L290-Y343 HydrophobicContact CD2-CG 4.33Å; M339-Y343 HydrophobicContact CB-CD2 4.45Å; M339-Y343 PolarHBondContact O-N 3.34Å; M339-Y343 HydrophobicContact SD-CD2 3.79Å; M339-Y343 HydrophobicContact SD-CE2 3.7Å; Y343-I345 PolarHBondContact O-N 2.76Å; Y343-I345 VanDerWaalsContact O-N 3.1Å; Y343-I401 HydrophobicContact CE1-CD1 3.76Å; Y343-I401 WeakPolarHBondContact OH-CD1 3.45Å; Y343-L439 HydrophobicContact CE2-CB 3.93Å; Y343-L439 WeakPolarHBondContact OH-CA 3.18Å; Y343-L439 PolarHBondContact OH-O 2.83Å; Y343-V443 HydrophobicContact CD2-CG2 4.4Å; Y343-V443 HydrophobicContact CE1-CG2 4.03Å; Y343-V443 HydrophobicContact CE2-CG2 3.68Å; Y343-V443 VanDerWaalsContact CZ-CG2 3.48Å |
| 344 | E | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 98.6 | 155.7 | -178.7 | -173.4 | -123.9 | 0 | 0 | 109 | K281 T285 F288 S289 L290 I346 R371 H372 R395 | K281-E344 VanDerWaalsContact CE-CD 3.45Å; K281-E344 WeakPolarHBondContact CE-OE2 3.04Å; K281-E344 IonicContact NZ-OE2 2.74Å; T285-E344 HydrophobicContact CG2-CB 3.72Å; T285-E344 HydrophobicContact CG2-CG 3.76Å; T285-E344 VanDerWaalsContact CG2-OE1 3.31Å; T285-E344 WeakPolarHBondContact CG2-OE1 3.39Å; F288-E344 PolarHBondContact O-N 3.22Å; S289-E344 WeakPolarHBondContact CA-O 3.48Å; S289-E344 PolarHBondContact OG-OE2 3.13Å; L290-E344 PolarHBondContact N-O 2.97Å; E344-I346 HydrophobicContact CG-CG1 4.27Å; E344-I346 PolarHBondContact O-N 3.19Å; E344-R371 HydrophobicContact CG-CB 4.35Å; E344-H372 IonicContact OE1-CD2 2.9Å; E344-H372 IonicContact OE1-NE2 3.75Å; E344-H372 PolarHBondContact OE1-NE2 3.33Å; E344-R395 IonicContact OE1-CZ 3.44Å; E344-R395 IonicContact OE1-NE 3.35Å; E344-R395 PolarHBondContact OE1-NE 2.89Å; E344-R395 IonicContact OE1-NH2 2.6Å; E344-R395 PolarHBondContact OE1-NH2 2.77Å; E344-R395 IonicContact OE2-CZ 2.88Å; E344-R395 IonicContact OE2-NE 3.55Å; E344-R395 PolarHBondContact OE2-NE 2.53Å; E344-R395 IonicContact OE2-NH2 2.66Å |
| 345 | I | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 123.5 | 175.1 | -58.5 | -173.5 | 0 | 0 | 0 | 110.3 | L290 L292 L336 M339 Y343 L347 L369 V370 R371 H372 | L290-I345 WeakPolarHBondContact O-CA 3.41Å; L292-I345 HydrophobicContact CD1-CG2 3.85Å; L292-I345 HydrophobicContact CG-CG2 4.43Å; L336-I345 HydrophobicContact CD2-CD1 3.83Å; L336-I345 HydrophobicContact CD2-CG2 4.31Å; M339-I345 HydrophobicContact CB-CD1 3.91Å; Y343-I345 PolarHBondContact O-N 2.76Å; Y343-I345 VanDerWaalsContact O-N 3.1Å; I345-L347 HydrophobicContact CG2-CD2 3.75Å; I345-L369 WeakPolarHBondContact CB-O 3.47Å; I345-V370 HydrophobicContact CG2-CG2 4.36Å; I345-R371 PolarHBondContact O-N 3.15Å; I345-H372 PolarHBondContact O-N 2.95Å |
| 346 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 113.9 | 175 | -57.6 | 159.1 | 0 | 0 | 0 | 106.6 | L278 L290 V291 L292 E344 H372 L374 L393 | L278-I346 HydrophobicContact CD1-CD1 3.59Å; L278-I346 HydrophobicContact CD1-CG1 3.94Å; L278-I346 HydrophobicContact CD1-CG2 4.26Å; L290-I346 PolarHBondContact O-N 2.96Å; V291-I346 CarbonylContact C-O 3.54Å; V291-I346 VanDerWaalsContact CA-O 3.25Å; V291-I346 WeakPolarHBondContact CA-O 3.47Å; V291-I346 HydrophobicContact CG2-CB 4.31Å; V291-I346 HydrophobicContact CG2-CD1 4.14Å; L292-I346 PolarHBondContact N-O 3.49Å; E344-I346 HydrophobicContact CG-CG1 4.27Å; E344-I346 PolarHBondContact O-N 3.19Å; I346-H372 HydrophobicContact CG1-CB 4.23Å; I346-H372 HydrophobicContact CG2-CB 4.21Å; I346-L374 HydrophobicContact CG2-CD1 4.17Å; I346-L393 HydrophobicContact CD1-CD1 4.42Å; I346-L393 HydrophobicContact CG2-CD2 4.43Å |
| 347 | L | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 125.4 | 166.8 | -93.9 | -78.6 | 0 | 0 | 0 | 107.9 | L292 L294 L298 I345 L360 V370 H372 R373 L374 | L292-L347 HydrophobicContact CB-CD1 4.45Å; L292-L347 HydrophobicContact CB-CD2 4.25Å; L292-L347 HydrophobicContact CD1-CD2 4.36Å; L292-L347 WeakPolarHBondContact O-CA 3.5Å; L294-L347 HydrophobicContact CB-CD1 4.12Å; L294-L347 HydrophobicContact CD1-CD1 4.25Å; L298-L347 HydrophobicContact CD1-CD1 4.07Å; I345-L347 HydrophobicContact CG2-CD2 3.75Å; L347-L360 HydrophobicContact CB-CD1 3.98Å; L347-L360 HydrophobicContact CD1-CD1 4.42Å; L347-L360 HydrophobicContact CD1-CD2 4.2Å; L347-L360 HydrophobicContact CG-CD1 3.97Å; L347-L360 HydrophobicContact CG-CD2 3.96Å; L347-V370 HydrophobicContact CB-CG1 4Å; L347-V370 HydrophobicContact CD2-CB 4.29Å; L347-V370 HydrophobicContact CD2-CG1 3.78Å; L347-V370 HydrophobicContact CD2-CG2 3.53Å; L347-V370 HydrophobicContact CG-CG1 4.03Å; L347-V370 HydrophobicContact CG-CG2 4.2Å; L347-H372 PolarHBondContact N-O 3.25Å; L347-R373 CarbonylContact O-C 3.56Å; L347-R373 WeakPolarHBondContact O-CA 3.45Å; L347-L374 PolarHBondContact O-N 3.4Å |
| 348 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 98.7 | 175.1 | -167.2 | -1.9 | 0 | 0 | 0 | 108.6 | V291 L292 L374 H378 C379 K388 I392 L393 | V291-F348 HydrophobicContact CG1-CB 3.52Å; V291-F348 HydrophobicContact CG1-CD2 4.2Å; V291-F348 HydrophobicContact CG1-CG 4.39Å; L292-F348 PolarHBondContact O-N 3.45Å; F348-L374 WeakPolarHBondContact CA-O 3.25Å; F348-L374 HydrophobicContact CB-CB 4.11Å; F348-L374 HydrophobicContact CD1-CB 3.46Å; F348-L374 VanDerWaalsContact CD1-CB 3.46Å; F348-L374 HydrophobicContact CD1-CD1 4.41Å; F348-L374 HydrophobicContact CD2-CB 4.44Å; F348-L374 HydrophobicContact CD2-CD1 3.95Å; F348-L374 HydrophobicContact CE1-CB 3.94Å; F348-L374 HydrophobicContact CE2-CD1 4.2Å; F348-L374 HydrophobicContact CG-CB 3.75Å; F348-L374 HydrophobicContact CG-CD1 4.06Å; F348-H378 HydrophobicContact CE1-CB 3.89Å; F348-H378 HydrophobicContact CZ-CB 4.09Å; F348-C379 VanDerWaalsContact CE1-SG 3.52Å; F348-K388 HydrophobicContact CD1-CD 4.39Å; F348-K388 HydrophobicContact CD1-CG 4.13Å; F348-K388 HydrophobicContact CD2-CB 3.81Å; F348-K388 HydrophobicContact CD2-CD 4.46Å; F348-K388 HydrophobicContact CD2-CG 4.18Å; F348-K388 HydrophobicContact CE1-CB 4.41Å; F348-K388 HydrophobicContact CE1-CG 4.07Å; F348-K388 HydrophobicContact CE2-CB 3.58Å; F348-K388 HydrophobicContact CE2-CG 4.12Å; F348-K388 HydrophobicContact CG-CB 4.33Å; F348-K388 HydrophobicContact CG-CD 4.22Å; F348-K388 HydrophobicContact CG-CG 4.2Å; F348-K388 HydrophobicContact CZ-CB 3.91Å; F348-K388 HydrophobicContact CZ-CG 4.06Å; F348-K388 WeakPolarHBondContact O-CD 3.38Å; F348-K388 WeakPolarHBondContact O-CE 3.34Å; F348-K388 PolarHBondContact O-NZ 2.65Å; F348-I392 HydrophobicContact CE2-CD1 3.86Å; F348-I392 HydrophobicContact CE2-CG1 4.5Å; F348-I392 HydrophobicContact CZ-CD1 3.66Å; F348-L393 HydrophobicContact CD2-CD2 4.35Å |
| 349 | T | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -108.4 | 147.5 | -178.2 | 171.6 | 0 | 0 | 0 | 0 | 112.2 | D293 L294 D295 S351 A356 L374 F375 R376 | D293-T349 VanDerWaalsContact OD1-CA 3.32Å; D293-T349 WeakPolarHBondContact OD1-CA 3.29Å; L294-T349 HydrophobicContact CB-CG2 4.4Å; L294-T349 HydrophobicContact CD2-CG2 4.24Å; D295-T349 PolarHBondContact OD2-OG1 3.41Å; T349-S351 PolarHBondContact O-N 3.44Å; T349-S351 VanDerWaalsContact OG1-CB 3.25Å; T349-S351 WeakPolarHBondContact OG1-CB 3.32Å; T349-S351 PolarHBondContact OG1-N 3.25Å; T349-S351 PolarHBondContact OG1-OG 3.48Å; T349-A356 HydrophobicContact CG2-CB 3.77Å; T349-L374 PolarHBondContact N-O 2.88Å; T349-F375 HydrophobicContact CG2-CD1 4.11Å; T349-F375 CarbonylContact O-C 3.47Å; T349-F375 VanDerWaalsContact O-CA 3.28Å; T349-F375 WeakPolarHBondContact O-CA 3.38Å; T349-R376 PolarHBondContact O-N 2.79Å | ||
| 350 | A | 96.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 3% | 0.033 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -77.5 | 2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R376 Y386 | A350-R376 WeakPolarHBondContact O-CB 3.46Å; A350-R376 VanDerWaalsContact O-CZ 3.24Å; A350-R376 PolarHBondContact O-NE 2.94Å; A350-R376 PolarHBondContact O-NH2 2.92Å; A350-Y386 HydrophobicContact CB-CD2 4.38Å; A350-Y386 HydrophobicContact CB-CG 4.47Å |
| 351 | S | 96.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -80.1 | 160.9 | 173.8 | -68.6 | 0 | 0 | 0 | 0 | 113.4 | F145 S146 D295 T349 R376 | F145-S351 WeakPolarHBondContact CA-OG 3.46Å; S146-S351 PolarHBondContact N-OG 3.2Å; D295-S351 WeakPolarHBondContact OD2-CB 3.46Å; D295-S351 PolarHBondContact OD2-OG 3.22Å; T349-S351 PolarHBondContact O-N 3.44Å; T349-S351 VanDerWaalsContact OG1-CB 3.25Å; T349-S351 WeakPolarHBondContact OG1-CB 3.32Å; T349-S351 PolarHBondContact OG1-N 3.25Å; T349-S351 PolarHBondContact OG1-OG 3.48Å; S351-R376 PolarHBondContact O-N 3.42Å |
| 352 | K | 96.1 | Very high | 97.5 | Very high | 61 Ų | 61 | 25.7 Ų | 25.7 | 27% | 0.265 | 13% | 0.127 | S | C | . | . | trans | -72.5 | 140.1 | 177.9 | -66.7 | -75.3 | -171.9 | 173.8 | 0 | 111.8 | T143 I144 F317 V354 Y355 A356 | T143-K352 WeakPolarHBondContact O-CE 3.49Å; T143-K352 WeakPolarHBondContact O-CG 3.29Å; I144-K352 PolarHBondContact O-N 3.33Å; F317-K352 HydrophobicContact CE2-CG 4.48Å; K352-V354 VanDerWaalsContact C-N 3.29Å; K352-V354 HydrophobicContact CB-CG2 4.32Å; K352-V354 PolarHBondContact O-N 3.41Å; K352-V354 VanDerWaalsContact O-N 3.16Å; K352-Y355 PolarHBondContact O-N 2.82Å; K352-A356 PolarHBondContact O-N 2.82Å; K352-A356 VanDerWaalsContact O-N 3.16Å | ||
| 353 | K | 96.6 | Very high | 97.5 | Very high | 91 Ų | 91 | 24.6 Ų | 24.6 | 40% | 0.396 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -49.2 | -41.8 | 178.6 | -176.6 | 173.6 | -168.5 | -54.3 | 0 | 114.6 | Y355 A356 D357 F375 | K353-Y355 PolarHBondContact O-N 3.16Å; K353-A356 PolarHBondContact O-N 3.26Å; K353-D357 HydrophobicContact CG-CB 4.1Å; K353-D357 IonicContact NZ-OD2 2.77Å; K353-D357 PolarHBondContact NZ-OD2 3.18Å; K353-D357 WeakPolarHBondContact O-CB 3.33Å; K353-D357 PolarHBondContact O-N 3Å; K353-F375 HydrophobicContact CB-CB 4.09Å; K353-F375 HydrophobicContact CB-CD1 4.22Å; K353-F375 HydrophobicContact CB-CD2 3.74Å; K353-F375 HydrophobicContact CB-CE2 4.21Å; K353-F375 HydrophobicContact CB-CG 3.75Å; K353-F375 HydrophobicContact CD-CD2 3.84Å; K353-F375 HydrophobicContact CD-CE2 3.77Å; K353-F375 HydrophobicContact CG-CD1 4.4Å; K353-F375 HydrophobicContact CG-CD2 3.63Å; K353-F375 HydrophobicContact CG-CE1 4.33Å; K353-F375 HydrophobicContact CG-CE2 3.58Å; K353-F375 HydrophobicContact CG-CG 4.05Å; K353-F375 HydrophobicContact CG-CZ 3.92Å |
| 354 | V | 96 | Very high | 97.4 | Very high | 73 Ų | 73 | 24.9 Ų | 24.9 | 44% | 0.442 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -59.9 | -32.2 | -175.3 | -64.2 | 0 | 0 | 0 | 0 | 113.6 | V315 F317 K352 | V315-V354 HydrophobicContact CG1-CB 4.29Å; V315-V354 HydrophobicContact CG1-CG2 3.92Å; F317-V354 HydrophobicContact CB-CG2 4.42Å; F317-V354 HydrophobicContact CD2-CG2 3.87Å; F317-V354 HydrophobicContact CG-CG2 4.49Å; K352-V354 VanDerWaalsContact C-N 3.29Å; K352-V354 HydrophobicContact CB-CG2 4.32Å; K352-V354 PolarHBondContact O-N 3.41Å; K352-V354 VanDerWaalsContact O-N 3.16Å |
| 355 | Y | 96.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -86.8 | -56.7 | 175.1 | 146.4 | -107 | 0 | 0 | 0 | 110.5 | I144 F145 L294 D295 C301 F313 V324 K352 K353 D357 K358 L359 | I144-Y355 HydrophobicContact CG2-CD1 4.42Å; I144-Y355 HydrophobicContact CG2-CG 4.09Å; F145-Y355 AromaticContact CD1-CD1 3.81Å; F145-Y355 HydrophobicContact CD1-CD1 3.81Å; F145-Y355 HydrophobicContact CD1-CD2 4.38Å; F145-Y355 AromaticContact CD1-CE1 3.67Å; F145-Y355 HydrophobicContact CD1-CE1 3.67Å; F145-Y355 HydrophobicContact CD1-CE2 4.26Å; F145-Y355 HydrophobicContact CD1-CG 4.19Å; F145-Y355 AromaticContact CD1-CZ 3.92Å; F145-Y355 HydrophobicContact CE1-CD1 4.17Å; F145-Y355 AromaticContact CE1-CD2 3.9Å; F145-Y355 HydrophobicContact CE1-CD2 3.9Å; F145-Y355 HydrophobicContact CE1-CE1 4.07Å; F145-Y355 AromaticContact CE1-CE2 3.8Å; F145-Y355 HydrophobicContact CE1-CE2 3.8Å; F145-Y355 HydrophobicContact CE1-CG 4.11Å; F145-Y355 AromaticContact CE1-CZ 3.9Å; L294-Y355 HydrophobicContact CD2-CE1 4.42Å; D295-Y355 VanDerWaalsContact OD1-CE1 3.29Å; D295-Y355 WeakPolarHBondContact OD1-CE1 3.49Å; D295-Y355 VanDerWaalsContact OD1-CZ 3.29Å; D295-Y355 PolarHBondContact OD1-OH 3.47Å; C301-Y355 HydrophobicContact CB-CE2 4.49Å; C301-Y355 PolarHBondContact SG-OH 3.25Å; F313-Y355 HydrophobicContact CE2-CD2 4.07Å; F313-Y355 AromaticContact CZ-CD2 3.87Å; F313-Y355 HydrophobicContact CZ-CD2 3.87Å; F313-Y355 AromaticContact CZ-CE2 3.93Å; F313-Y355 HydrophobicContact CZ-CE2 3.93Å; V324-Y355 HydrophobicContact CG1-CD2 4.35Å; V324-Y355 HydrophobicContact CG1-CE2 4.18Å; V324-Y355 HydrophobicContact CG2-CD2 4.39Å; K352-Y355 PolarHBondContact O-N 2.82Å; K353-Y355 PolarHBondContact O-N 3.16Å; Y355-D357 PolarHBondContact O-N 3.35Å; Y355-K358 WeakPolarHBondContact O-CA 3.33Å; Y355-K358 WeakPolarHBondContact O-CB 3.43Å; Y355-K358 PolarHBondContact O-N 3.37Å; Y355-L359 HydrophobicContact CE2-CB 4.16Å; Y355-L359 HydrophobicContact CE2-CD2 4.03Å; Y355-L359 PolarHBondContact O-N 3.38Å; Y355-L359 VanDerWaalsContact OH-CD2 3.3Å; Y355-L359 WeakPolarHBondContact OH-CD2 3.19Å |
| 356 | A | 96.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.5 | -37.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L294 T349 K352 K353 K358 L359 L360 F375 | L294-A356 HydrophobicContact CD2-CB 3.77Å; T349-A356 HydrophobicContact CG2-CB 3.77Å; K352-A356 PolarHBondContact O-N 2.82Å; K352-A356 VanDerWaalsContact O-N 3.16Å; K353-A356 PolarHBondContact O-N 3.26Å; A356-K358 VanDerWaalsContact C-N 3.31Å; A356-K358 PolarHBondContact O-N 2.83Å; A356-L359 PolarHBondContact O-N 3.14Å; A356-L360 WeakPolarHBondContact O-CB 3.38Å; A356-L360 VanDerWaalsContact O-CG 3.26Å; A356-L360 WeakPolarHBondContact O-CG 3.37Å; A356-L360 PolarHBondContact O-N 3.46Å; A356-F375 HydrophobicContact CB-CD1 3.75Å; A356-F375 HydrophobicContact CB-CE1 3.85Å |
| 357 | D | 96.6 | Very high | 97 | Very high | 39 Ų | 39 | 43.1 Ų | 43.1 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.6 | -31.3 | 176.8 | -159.5 | 20.7 | 0 | 0 | 0 | 111.4 | K353 Y355 N361 R373 F375 | K353-D357 HydrophobicContact CG-CB 4.1Å; K353-D357 IonicContact NZ-OD2 2.77Å; K353-D357 PolarHBondContact NZ-OD2 3.18Å; K353-D357 WeakPolarHBondContact O-CB 3.33Å; K353-D357 PolarHBondContact O-N 3Å; Y355-D357 PolarHBondContact O-N 3.35Å; D357-N361 WeakPolarHBondContact O-CB 3.47Å; D357-N361 PolarHBondContact O-N 3.5Å; D357-N361 VanDerWaalsContact O-N 3.12Å; D357-N361 PolarHBondContact O-ND2 2.85Å; D357-R373 PolarHBondContact O-NH1 2.66Å; D357-R373 IonicContact OD1-CZ 3.89Å; D357-R373 IonicContact OD1-NH1 2.77Å; D357-R373 PolarHBondContact OD1-NH1 2.6Å; D357-F375 HydrophobicContact CB-CE1 4.04Å; D357-F375 HydrophobicContact CB-CZ 3.82Å |
| 358 | K | 97.5 | Very high | 96.9 | Very high | 86 Ų | 86 | 49.6 Ų | 49.6 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.6 | -46.4 | 173.6 | -174.1 | 165.2 | -179.2 | 175.7 | 0 | 111.5 | F313 P314 Y355 A356 N361 I362 | F313-K358 HydrophobicContact CD2-CB 4.5Å; F313-K358 HydrophobicContact CD2-CD 3.66Å; F313-K358 HydrophobicContact CD2-CG 3.84Å; F313-K358 HydrophobicContact CE2-CB 4.21Å; F313-K358 HydrophobicContact CE2-CD 4.19Å; F313-K358 HydrophobicContact CE2-CG 4.03Å; F313-K358 HydrophobicContact CG-CD 4.49Å; P314-K358 WeakPolarHBondContact O-CE 3.28Å; P314-K358 PolarHBondContact O-NZ 3.33Å; Y355-K358 WeakPolarHBondContact O-CA 3.33Å; Y355-K358 WeakPolarHBondContact O-CB 3.43Å; Y355-K358 PolarHBondContact O-N 3.37Å; A356-K358 VanDerWaalsContact C-N 3.31Å; A356-K358 PolarHBondContact O-N 2.83Å; K358-N361 PolarHBondContact O-N 2.76Å; K358-I362 WeakPolarHBondContact O-CG1 3.39Å; K358-I362 PolarHBondContact O-N 3.37Å |
| 359 | L | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.7 | -49.5 | 174.2 | 177.5 | 55.2 | 0 | 0 | 0 | 111.5 | L294 V299 L311 F313 V326 Y355 A356 N361 I362 L363 | L294-L359 HydrophobicContact CD1-CD2 4.08Å; L294-L359 HydrophobicContact CD2-CD2 4.24Å; L294-L359 HydrophobicContact CG-CD2 4.34Å; V299-L359 HydrophobicContact CG1-CD2 4.25Å; V299-L359 HydrophobicContact CG2-CD2 3.82Å; L311-L359 HydrophobicContact CD1-CD1 4.09Å; F313-L359 HydrophobicContact CE1-CB 4.24Å; F313-L359 HydrophobicContact CE1-CD1 3.95Å; F313-L359 HydrophobicContact CZ-CB 3.83Å; F313-L359 HydrophobicContact CZ-CD1 4.38Å; V326-L359 HydrophobicContact CG1-CD1 4.21Å; V326-L359 HydrophobicContact CG2-CD1 4.37Å; Y355-L359 HydrophobicContact CE2-CB 4.16Å; Y355-L359 HydrophobicContact CE2-CD2 4.03Å; Y355-L359 PolarHBondContact O-N 3.38Å; Y355-L359 VanDerWaalsContact OH-CD2 3.3Å; Y355-L359 WeakPolarHBondContact OH-CD2 3.19Å; A356-L359 PolarHBondContact O-N 3.14Å; L359-N361 PolarHBondContact O-N 3.04Å; L359-I362 WeakPolarHBondContact O-CA 3.35Å; L359-I362 WeakPolarHBondContact O-CB 3.42Å; L359-I362 PolarHBondContact O-N 2.87Å; L359-L363 HydrophobicContact CD1-CD1 3.86Å; L359-L363 HydrophobicContact CD1-CD2 4.05Å; L359-L363 HydrophobicContact CD1-CG 3.75Å; L359-L363 HydrophobicContact CD2-CD1 4.31Å; L359-L363 HydrophobicContact CG-CD1 3.83Å; L359-L363 HydrophobicContact CG-CG 4.09Å; L359-L363 PolarHBondContact O-N 3.38Å |
| 360 | L | 97.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.9 | -21.1 | -178.6 | -69.1 | 170.3 | 0 | 0 | 0 | 113.2 | L294 L347 A356 I362 D364 R373 | L294-L360 HydrophobicContact CD1-CD2 4.05Å; L347-L360 HydrophobicContact CB-CD1 3.98Å; L347-L360 HydrophobicContact CD1-CD1 4.42Å; L347-L360 HydrophobicContact CD1-CD2 4.2Å; L347-L360 HydrophobicContact CG-CD1 3.97Å; L347-L360 HydrophobicContact CG-CD2 3.96Å; A356-L360 WeakPolarHBondContact O-CB 3.38Å; A356-L360 VanDerWaalsContact O-CG 3.26Å; A356-L360 WeakPolarHBondContact O-CG 3.37Å; A356-L360 PolarHBondContact O-N 3.46Å; L360-I362 VanDerWaalsContact C-N 3.34Å; L360-D364 PolarHBondContact O-N 3.46Å; L360-R373 VanDerWaalsContact C-NH2 3.35Å; L360-R373 VanDerWaalsContact CB-CZ 3.4Å; L360-R373 HydrophobicContact CD1-CG 4.01Å; L360-R373 PolarHBondContact O-NH2 3.39Å |
| 361 | N | 97.7 | Very high | 96.8 | Very high | 64 Ų | 64 | 56.1 Ų | 56.1 | 34% | 0.342 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -75.5 | -19.7 | 168.3 | -72.5 | -30.4 | 0 | 0 | 0 | 113.4 | D357 K358 L359 P365 R373 | D357-N361 WeakPolarHBondContact O-CB 3.47Å; D357-N361 PolarHBondContact O-N 3.5Å; D357-N361 VanDerWaalsContact O-N 3.12Å; D357-N361 PolarHBondContact O-ND2 2.85Å; K358-N361 PolarHBondContact O-N 2.76Å; L359-N361 PolarHBondContact O-N 3.04Å; N361-P365 WeakPolarHBondContact O-CA 3.46Å; N361-P365 WeakPolarHBondContact O-CB 3.32Å; N361-R373 PolarHBondContact OD1-NH1 3.09Å |
| 362 | I | 97.6 | Very high | 96.9 | Very high | 74 Ų | 74 | 57.5 Ų | 57.5 | 38% | 0.379 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -86.9 | -39.8 | 172.8 | -60 | 164.5 | 0 | 0 | 0 | 110.5 | L311 F313 K358 L359 L360 | L311-I362 HydrophobicContact CD2-CG2 3.91Å; F313-I362 HydrophobicContact CB-CD1 4.2Å; F313-I362 HydrophobicContact CD1-CD1 3.51Å; F313-I362 HydrophobicContact CE1-CD1 4.04Å; F313-I362 HydrophobicContact CG-CD1 3.86Å; K358-I362 WeakPolarHBondContact O-CG1 3.39Å; K358-I362 PolarHBondContact O-N 3.37Å; L359-I362 WeakPolarHBondContact O-CA 3.35Å; L359-I362 WeakPolarHBondContact O-CB 3.42Å; L359-I362 PolarHBondContact O-N 2.87Å; L360-I362 VanDerWaalsContact C-N 3.34Å |
| 363 | L | 96.8 | Very high | 97 | Very high | 12 Ų | 12 | 56.5 Ų | 56.5 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -76.6 | -39.9 | -178.6 | -58.9 | -176.4 | 0 | 0 | 0 | 113.7 | V299 L311 L328 F332 R333 L359 P365 | V299-L363 HydrophobicContact CG1-CD1 3.96Å; L311-L363 HydrophobicContact CD2-CD2 4.04Å; L328-L363 HydrophobicContact CD2-CD2 3.63Å; F332-L363 HydrophobicContact CE2-CB 4.44Å; F332-L363 HydrophobicContact CE2-CD1 4.18Å; F332-L363 HydrophobicContact CE2-CD2 4.15Å; F332-L363 HydrophobicContact CE2-CG 4.49Å; F332-L363 HydrophobicContact CZ-CD2 4.09Å; R333-L363 PolarHBondContact NH2-O 2.98Å; L359-L363 HydrophobicContact CD1-CD1 3.86Å; L359-L363 HydrophobicContact CD1-CD2 4.05Å; L359-L363 HydrophobicContact CD1-CG 3.75Å; L359-L363 HydrophobicContact CD2-CD1 4.31Å; L359-L363 HydrophobicContact CG-CD1 3.83Å; L359-L363 HydrophobicContact CG-CG 4.09Å; L359-L363 PolarHBondContact O-N 3.38Å; L363-P365 VanDerWaalsContact C-CD 3.47Å |
| 364 | D | 97.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.043 | 25% | 0.252 | C | S | . | . | trans | -125.8 | 70.6 | 175.3 | -175.3 | 11.5 | 0 | 0 | 0 | 110.9 | L360 K366 K367 Q368 L369 V370 | L360-D364 PolarHBondContact O-N 3.46Å; D364-K366 PolarHBondContact O-N 2.89Å; D364-K367 PolarHBondContact O-N 2.77Å; D364-K367 WeakPolarHBondContact OD1-CA 3.38Å; D364-K367 PolarHBondContact OD1-N 2.89Å; D364-K367 WeakPolarHBondContact OD2-CA 3.44Å; D364-Q368 PolarHBondContact OD1-N 2.9Å; D364-Q368 PolarHBondContact OD2-N 2.65Å; D364-Q368 VanDerWaalsContact OD2-N 3.08Å; D364-L369 WeakPolarHBondContact OD2-CA 3.39Å; D364-L369 PolarHBondContact OD2-N 2.71Å; D364-V370 PolarHBondContact OD2-N 2.76Å | ||
| 365 | P | 96.6 | Very high | 97.2 | Very high | 92 Ų | 92 | 49.2 Ų | 49.2 | 60% | 0.597 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19.7 | -177.8 | 28 | -35.2 | 0 | 0 | 0 | 112.8 | N361 L363 | N361-P365 WeakPolarHBondContact O-CA 3.46Å; N361-P365 WeakPolarHBondContact O-CB 3.32Å; L363-P365 VanDerWaalsContact C-CD 3.47Å |
| 366 | K | 96.4 | Very high | 97.2 | Very high | 157 Ų | 157 | 50 Ų | 50 | 68% | 0.683 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -12.8 | 177 | -62.8 | -179.5 | -176.3 | 170.3 | 0 | 113 | D364 Q368 | D364-K366 PolarHBondContact O-N 2.89Å; K366-Q368 VanDerWaalsContact C-N 3.31Å; K366-Q368 HydrophobicContact CB-CB 4.3Å; K366-Q368 HydrophobicContact CB-CG 3.77Å; K366-Q368 PolarHBondContact O-N 2.83Å |
| 367 | K | 94.9 | Very high | 97.1 | Very high | 138 Ų | 138 | 55.2 Ų | 55.2 | 60% | 0.6 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 55.6 | 45.8 | -174.2 | -54.4 | -174 | -178.4 | -174.2 | 0 | 111.7 | D364 | D364-K367 PolarHBondContact O-N 2.77Å; D364-K367 WeakPolarHBondContact OD1-CA 3.38Å; D364-K367 PolarHBondContact OD1-N 2.89Å; D364-K367 WeakPolarHBondContact OD2-CA 3.44Å |
| 368 | Q | 95.7 | Very high | 97.2 | Very high | 137 Ų | 137 | 56 Ų | 56 | 64% | 0.64 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -106.9 | -18.2 | -176 | -75.7 | 179.7 | -27 | 0 | 0 | 113.5 | D364 K366 | D364-Q368 PolarHBondContact OD1-N 2.9Å; D364-Q368 PolarHBondContact OD2-N 2.65Å; D364-Q368 VanDerWaalsContact OD2-N 3.08Å; K366-Q368 VanDerWaalsContact C-N 3.31Å; K366-Q368 HydrophobicContact CB-CB 4.3Å; K366-Q368 HydrophobicContact CB-CG 3.77Å; K366-Q368 PolarHBondContact O-N 2.83Å |
| 369 | L | 97.3 | Very high | 97.2 | Very high | 20 Ų | 20 | 52.4 Ų | 52.4 | 11% | 0.105 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -103 | -46.3 | -177.8 | -53 | 179.9 | 0 | 0 | 0 | 111.1 | L336 E337 I345 D364 | L336-L369 HydrophobicContact CB-CB 4.36Å; L336-L369 HydrophobicContact CB-CD1 4Å; E337-L369 HydrophobicContact CB-CD2 4.41Å; E337-L369 HydrophobicContact CG-CD1 4.13Å; E337-L369 HydrophobicContact CG-CD2 3.58Å; I345-L369 WeakPolarHBondContact CB-O 3.47Å; D364-L369 WeakPolarHBondContact OD2-CA 3.39Å; D364-L369 PolarHBondContact OD2-N 2.71Å |
| 370 | V | 97.8 | Very high | 97.1 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 6% | 0.061 | 25% | 0.249 | C | C | . | . | trans | -103.5 | 112.7 | -174.2 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | I345 L347 D364 H372 R373 | I345-V370 HydrophobicContact CG2-CG2 4.36Å; L347-V370 HydrophobicContact CB-CG1 4Å; L347-V370 HydrophobicContact CD2-CB 4.29Å; L347-V370 HydrophobicContact CD2-CG1 3.78Å; L347-V370 HydrophobicContact CD2-CG2 3.53Å; L347-V370 HydrophobicContact CG-CG1 4.03Å; L347-V370 HydrophobicContact CG-CG2 4.2Å; D364-V370 PolarHBondContact OD2-N 2.76Å; V370-H372 WeakPolarHBondContact CG1-O 3.26Å; V370-R373 HydrophobicContact CG1-CG 3.93Å | ||
| 371 | R | 97.3 | Very high | 97 | Very high | 111 Ų | 111 | 56 Ų | 56 | 42% | 0.419 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -78.8 | -39.7 | -178.8 | -165.1 | -176.6 | -166.1 | 80.1 | -4.5 | 112.5 | T282 T285 E344 I345 | T282-R371 PolarHBondContact OG1-NH2 2.83Å; T285-R371 PolarHBondContact OG1-NE 3.26Å; T285-R371 PolarHBondContact OG1-NH2 2.72Å; T285-R371 VanDerWaalsContact OG1-NH2 3.14Å; E344-R371 HydrophobicContact CG-CB 4.35Å; I345-R371 PolarHBondContact O-N 3.15Å |
| 372 | H | 98.3 | Very high | 96.8 | Very high | 30 Ų | 30 | 53.6 Ų | 53.6 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 150.2 | -174.8 | -64.6 | -51.5 | 0 | 0 | 0 | 111.2 | L278 E344 I345 I346 L347 V370 | L278-H372 HydrophobicContact CD1-CB 4.41Å; L278-H372 HydrophobicContact CD2-CB 3.65Å; E344-H372 IonicContact OE1-CD2 2.9Å; E344-H372 IonicContact OE1-NE2 3.75Å; E344-H372 PolarHBondContact OE1-NE2 3.33Å; I345-H372 PolarHBondContact O-N 2.95Å; I346-H372 HydrophobicContact CG1-CB 4.23Å; I346-H372 HydrophobicContact CG2-CB 4.21Å; L347-H372 PolarHBondContact N-O 3.25Å; V370-H372 WeakPolarHBondContact CG1-O 3.26Å |
| 373 | R | 98.3 | Very high | 96.5 | Very high | 40 Ų | 40 | 57.6 Ų | 57.6 | 15% | 0.151 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 125 | 179.9 | -57.5 | 179.5 | -176.5 | 175.1 | -2.7 | 108.8 | L347 D357 L360 N361 V370 F375 | L347-R373 CarbonylContact O-C 3.56Å; L347-R373 WeakPolarHBondContact O-CA 3.45Å; D357-R373 PolarHBondContact O-NH1 2.66Å; D357-R373 IonicContact OD1-CZ 3.89Å; D357-R373 IonicContact OD1-NH1 2.77Å; D357-R373 PolarHBondContact OD1-NH1 2.6Å; L360-R373 VanDerWaalsContact C-NH2 3.35Å; L360-R373 VanDerWaalsContact CB-CZ 3.4Å; L360-R373 HydrophobicContact CD1-CG 4.01Å; L360-R373 PolarHBondContact O-NH2 3.39Å; N361-R373 PolarHBondContact OD1-NH1 3.09Å; V370-R373 HydrophobicContact CG1-CG 3.93Å; R373-F375 HydrophobicContact CB-CE1 4.07Å; R373-F375 HydrophobicContact CB-CE2 4.04Å; R373-F375 HydrophobicContact CB-CZ 3.49Å; R373-F375 VanDerWaalsContact CB-CZ 3.49Å; R373-F375 HydrophobicContact CG-CZ 4.48Å |
| 374 | L | 98.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 146 | 174.3 | -60 | 174.4 | 0 | 0 | 0 | 107.9 | A277 L278 I346 L347 F348 T349 H378 L393 | A277-L374 HydrophobicContact CB-CD2 3.91Å; L278-L374 HydrophobicContact CD2-CD1 4.16Å; L278-L374 HydrophobicContact CD2-CD2 3.98Å; L278-L374 HydrophobicContact CD2-CG 4.17Å; I346-L374 HydrophobicContact CG2-CD1 4.17Å; L347-L374 PolarHBondContact O-N 3.4Å; F348-L374 WeakPolarHBondContact CA-O 3.25Å; F348-L374 HydrophobicContact CB-CB 4.11Å; F348-L374 HydrophobicContact CD1-CB 3.46Å; F348-L374 VanDerWaalsContact CD1-CB 3.46Å; F348-L374 HydrophobicContact CD1-CD1 4.41Å; F348-L374 HydrophobicContact CD2-CB 4.44Å; F348-L374 HydrophobicContact CD2-CD1 3.95Å; F348-L374 HydrophobicContact CE1-CB 3.94Å; F348-L374 HydrophobicContact CE2-CD1 4.2Å; F348-L374 HydrophobicContact CG-CB 3.75Å; F348-L374 HydrophobicContact CG-CD1 4.06Å; T349-L374 PolarHBondContact N-O 2.88Å; L374-H378 HydrophobicContact CB-CB 4.35Å; L374-H378 HydrophobicContact CD2-CB 4.47Å; L374-H378 VanDerWaalsContact CD2-CD2 3.5Å; L374-H378 WeakPolarHBondContact CD2-CD2 3.09Å; L374-L393 HydrophobicContact CD1-CD2 3.29Å |
| 375 | F | 98 | Very high | 96 | Very high | 7 Ų | 7 | 60.2 Ų | 60.2 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | trans | -134.8 | 175.4 | -170.3 | -44.2 | -79.1 | 0 | 0 | 0 | 109.5 | T349 K353 A356 D357 R373 E377 H378 | T349-F375 HydrophobicContact CG2-CD1 4.11Å; T349-F375 CarbonylContact O-C 3.47Å; T349-F375 VanDerWaalsContact O-CA 3.28Å; T349-F375 WeakPolarHBondContact O-CA 3.38Å; K353-F375 HydrophobicContact CB-CB 4.09Å; K353-F375 HydrophobicContact CB-CD1 4.22Å; K353-F375 HydrophobicContact CB-CD2 3.74Å; K353-F375 HydrophobicContact CB-CE2 4.21Å; K353-F375 HydrophobicContact CB-CG 3.75Å; K353-F375 HydrophobicContact CD-CD2 3.84Å; K353-F375 HydrophobicContact CD-CE2 3.77Å; K353-F375 HydrophobicContact CG-CD1 4.4Å; K353-F375 HydrophobicContact CG-CD2 3.63Å; K353-F375 HydrophobicContact CG-CE1 4.33Å; K353-F375 HydrophobicContact CG-CE2 3.58Å; K353-F375 HydrophobicContact CG-CG 4.05Å; K353-F375 HydrophobicContact CG-CZ 3.92Å; A356-F375 HydrophobicContact CB-CD1 3.75Å; A356-F375 HydrophobicContact CB-CE1 3.85Å; D357-F375 HydrophobicContact CB-CE1 4.04Å; D357-F375 HydrophobicContact CB-CZ 3.82Å; R373-F375 HydrophobicContact CB-CE1 4.07Å; R373-F375 HydrophobicContact CB-CE2 4.04Å; R373-F375 HydrophobicContact CB-CZ 3.49Å; R373-F375 VanDerWaalsContact CB-CZ 3.49Å; R373-F375 HydrophobicContact CG-CZ 4.48Å; F375-E377 WeakPolarHBondContact CB-OE2 3.39Å; F375-E377 PolarHBondContact O-N 2.7Å; F375-H378 PolarHBondContact N-ND1 3.49Å; F375-H378 WeakPolarHBondContact O-CB 3.28Å; F375-H378 PolarHBondContact O-N 2.74Å; F375-H378 PolarHBondContact O-ND1 2.93Å | ||
| 376 | R | 96.9 | Very high | 96 | Very high | 15 Ų | 15 | 58.6 Ų | 58.6 | 6% | 0.057 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -39.1 | -42.3 | -176.7 | -176.1 | 173.9 | -65.3 | -179.2 | 16.1 | 115.9 | T143 F145 T349 A350 S351 H378 C379 Y386 | T143-R376 PolarHBondContact O-NH1 3.46Å; F145-R376 PolarHBondContact O-NH2 2.81Å; T349-R376 PolarHBondContact O-N 2.79Å; A350-R376 WeakPolarHBondContact O-CB 3.46Å; A350-R376 VanDerWaalsContact O-CZ 3.24Å; A350-R376 PolarHBondContact O-NE 2.94Å; A350-R376 PolarHBondContact O-NH2 2.92Å; S351-R376 PolarHBondContact O-N 3.42Å; R376-H378 PolarHBondContact O-N 3.41Å; R376-C379 WeakPolarHBondContact O-CB 3.41Å; R376-C379 PolarHBondContact O-N 3.2Å; R376-Y386 VanDerWaalsContact CD-CZ 3.43Å; R376-Y386 HydrophobicContact CG-CD1 4Å; R376-Y386 HydrophobicContact CG-CD2 4.19Å; R376-Y386 HydrophobicContact CG-CE1 3.72Å; R376-Y386 HydrophobicContact CG-CE2 3.91Å; R376-Y386 HydrophobicContact CG-CG 4.25Å |
| 377 | E | 95.1 | Very high | 96.1 | Very high | 111 Ų | 111 | 51.1 Ų | 51.1 | 52% | 0.519 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -64.8 | -6.8 | -179.3 | 65.3 | -83 | -173.3 | 0 | 0 | 115 | F375 | F375-E377 WeakPolarHBondContact CB-OE2 3.39Å; F375-E377 PolarHBondContact O-N 2.7Å |
| 378 | H | 97.3 | Very high | 96.3 | Very high | 54 Ų | 54 | 44.6 Ų | 44.6 | 25% | 0.25 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -101.2 | -12.5 | 173.6 | -50.3 | 77.3 | 0 | 0 | 0 | 112.5 | F348 L374 F375 R376 I392 | F348-H378 HydrophobicContact CE1-CB 3.89Å; F348-H378 HydrophobicContact CZ-CB 4.09Å; L374-H378 HydrophobicContact CB-CB 4.35Å; L374-H378 HydrophobicContact CD2-CB 4.47Å; L374-H378 VanDerWaalsContact CD2-CD2 3.5Å; L374-H378 WeakPolarHBondContact CD2-CD2 3.09Å; F375-H378 PolarHBondContact N-ND1 3.49Å; F375-H378 WeakPolarHBondContact O-CB 3.28Å; F375-H378 PolarHBondContact O-N 2.74Å; F375-H378 PolarHBondContact O-ND1 2.93Å; R376-H378 PolarHBondContact O-N 3.41Å; H378-I392 HydrophobicContact CB-CD1 3.98Å; H378-I392 WeakPolarHBondContact O-CD1 3.43Å |
| 379 | C | 97.3 | Very high | 96.4 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 8% | 0.081 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -75.5 | 156.7 | 177.3 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | F348 R376 Y386 I387 | F348-C379 VanDerWaalsContact CE1-SG 3.52Å; R376-C379 WeakPolarHBondContact O-CB 3.41Å; R376-C379 PolarHBondContact O-N 3.2Å; C379-Y386 HydrophobicContact CB-CD1 3.95Å; C379-Y386 HydrophobicContact CB-CG 4.28Å; C379-I387 CarbonylContact C-O 3.56Å; C379-I387 WeakPolarHBondContact CA-O 3.47Å; C379-I387 WeakPolarHBondContact CB-O 3.5Å |
| 380 | V | 96.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 122.6 | 164.6 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | L267 V382 I387 D389 Y412 | L267-V380 HydrophobicContact CD2-CG1 4.43Å; L267-V380 HydrophobicContact CD2-CG2 3.89Å; V380-V382 HydrophobicContact CG1-CG2 4.04Å; V380-I387 PolarHBondContact N-O 3.33Å; V380-I387 PolarHBondContact O-N 2.97Å; V380-D389 HydrophobicContact CG2-CB 4.15Å; V380-Y412 HydrophobicContact CB-CE2 4.33Å; V380-Y412 HydrophobicContact CG1-CE2 4.35Å |
| 381 | C | 95.3 | Very high | 96.4 | Very high | 74 Ų | 74 | 40.2 Ų | 40.2 | 50% | 0.5 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 121.9 | 175.5 | -167.7 | 0 | 0 | 0 | 0 | 109.9 | N385 Y386 | C381-N385 WeakPolarHBondContact CA-O 3.29Å; C381-Y386 HydrophobicContact CB-CD1 4.04Å; C381-Y386 HydrophobicContact CB-CE1 3.79Å |
| 382 | V | 94.3 | Very high | 96.4 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 9% | 0.085 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 115.3 | 177.5 | 175.9 | 0 | 0 | 0 | 0 | 107.7 | F260 P265 V380 G384 N385 I387 | F260-V382 HydrophobicContact CE2-CG1 4.01Å; F260-V382 HydrophobicContact CZ-CB 4.07Å; F260-V382 HydrophobicContact CZ-CG1 3.9Å; P265-V382 HydrophobicContact CG-CG1 4.15Å; V380-V382 HydrophobicContact CG1-CG2 4.04Å; V382-G384 PolarHBondContact O-N 2.99Å; V382-G384 VanDerWaalsContact O-N 3.14Å; V382-N385 PolarHBondContact N-O 2.93Å; V382-N385 WeakPolarHBondContact O-CB 3.21Å; V382-N385 PolarHBondContact O-N 3.07Å; V382-I387 HydrophobicContact CB-CD1 3.97Å; V382-I387 HydrophobicContact CG2-CD1 3.74Å; V382-I387 HydrophobicContact CG2-CG1 4.49Å |
| 383 | Q | 91 | Very high | 96.3 | Very high | 158 Ų | 158 | 34.1 Ų | 34.1 | 74% | 0.738 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 41.8 | 179.5 | -60.1 | 168.3 | -38.3 | 0 | 0 | 112.8 | F260 N385 | F260-Q383 HydrophobicContact CE2-CB 4.4Å; Q383-N385 PolarHBondContact O-N 2.84Å |
| 384 | G | 90.3 | Very high | 96.3 | Very high | 48 Ų | 48 | 34.1 Ų | 34.1 | 50% | 0.495 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -15.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116 | V382 | V382-G384 PolarHBondContact O-N 2.99Å; V382-G384 VanDerWaalsContact O-N 3.14Å |
| 385 | N | 93.6 | Very high | 96.2 | Very high | 28 Ų | 28 | 35.2 Ų | 35.2 | 15% | 0.15 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 138.2 | 175.3 | -73.5 | -84.5 | 0 | 0 | 0 | 111.2 | F255 F260 C381 V382 Q383 | F255-N385 WeakPolarHBondContact CE2-ND2 3.47Å; F255-N385 WeakPolarHBondContact CZ-OD1 3.28Å; F260-N385 HydrophobicContact CE1-CB 4.07Å; F260-N385 HydrophobicContact CE2-CB 4.1Å; F260-N385 HydrophobicContact CZ-CB 3.57Å; C381-N385 WeakPolarHBondContact CA-O 3.29Å; V382-N385 PolarHBondContact N-O 2.93Å; V382-N385 WeakPolarHBondContact O-CB 3.21Å; V382-N385 PolarHBondContact O-N 3.07Å; Q383-N385 PolarHBondContact O-N 2.84Å |
| 386 | Y | 96.8 | Very high | 96.2 | Very high | 57 Ų | 57 | 39.3 Ų | 39.3 | 22% | 0.224 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 103.5 | 178 | -70.9 | -62.5 | 0 | 0 | 0 | 111.5 | P147 A350 R376 C379 C381 | P147-Y386 HydrophobicContact CG-CD2 3.66Å; P147-Y386 HydrophobicContact CG-CE2 3.55Å; A350-Y386 HydrophobicContact CB-CD2 4.38Å; A350-Y386 HydrophobicContact CB-CG 4.47Å; R376-Y386 VanDerWaalsContact CD-CZ 3.43Å; R376-Y386 HydrophobicContact CG-CD1 4Å; R376-Y386 HydrophobicContact CG-CD2 4.19Å; R376-Y386 HydrophobicContact CG-CE1 3.72Å; R376-Y386 HydrophobicContact CG-CE2 3.91Å; R376-Y386 HydrophobicContact CG-CG 4.25Å; C379-Y386 HydrophobicContact CB-CD1 3.95Å; C379-Y386 HydrophobicContact CB-CG 4.28Å; C381-Y386 HydrophobicContact CB-CD1 4.04Å; C381-Y386 HydrophobicContact CB-CE1 3.79Å |
| 387 | I | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 134.3 | 179.7 | -43.4 | 178.4 | 0 | 0 | 0 | 110.1 | F260 V264 C379 V380 V382 D389 A411 Y412 | F260-I387 HydrophobicContact CE1-CD1 3.96Å; F260-I387 HydrophobicContact CE1-CG1 4.34Å; F260-I387 HydrophobicContact CZ-CD1 4.03Å; F260-I387 HydrophobicContact CZ-CG1 4.49Å; V264-I387 HydrophobicContact CB-CD1 4.43Å; V264-I387 HydrophobicContact CG1-CD1 3.63Å; V264-I387 HydrophobicContact CG2-CD1 3.79Å; C379-I387 CarbonylContact C-O 3.56Å; C379-I387 WeakPolarHBondContact CA-O 3.47Å; C379-I387 WeakPolarHBondContact CB-O 3.5Å; V380-I387 PolarHBondContact N-O 3.33Å; V380-I387 PolarHBondContact O-N 2.97Å; V382-I387 HydrophobicContact CB-CD1 3.97Å; V382-I387 HydrophobicContact CG2-CD1 3.74Å; V382-I387 HydrophobicContact CG2-CG1 4.49Å; I387-D389 PolarHBondContact O-N 2.75Å; I387-A411 HydrophobicContact CD1-CB 4.38Å; I387-A411 HydrophobicContact CG2-CB 4.2Å; I387-Y412 HydrophobicContact CB-CD2 4.19Å; I387-Y412 HydrophobicContact CB-CE2 4.08Å; I387-Y412 HydrophobicContact CD1-CD2 4.44Å; I387-Y412 HydrophobicContact CD1-CE2 3.86Å; I387-Y412 HydrophobicContact CG2-CD2 3.5Å; I387-Y412 VanDerWaalsContact CG2-CD2 3.5Å; I387-Y412 HydrophobicContact CG2-CE2 3.87Å; I387-Y412 HydrophobicContact CG2-CG 4.39Å |
| 388 | K | 98.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | trans | -97.2 | 72.8 | -176.3 | -61.6 | 171.5 | -173.7 | 178.6 | 0 | 110 | D293 F348 L390 I402 D404 A409 | D293-K388 IonicContact OD1-NZ 2.92Å; D293-K388 PolarHBondContact OD1-NZ 2.83Å; F348-K388 HydrophobicContact CD1-CD 4.39Å; F348-K388 HydrophobicContact CD1-CG 4.13Å; F348-K388 HydrophobicContact CD2-CB 3.81Å; F348-K388 HydrophobicContact CD2-CD 4.46Å; F348-K388 HydrophobicContact CD2-CG 4.18Å; F348-K388 HydrophobicContact CE1-CB 4.41Å; F348-K388 HydrophobicContact CE1-CG 4.07Å; F348-K388 HydrophobicContact CE2-CB 3.58Å; F348-K388 HydrophobicContact CE2-CG 4.12Å; F348-K388 HydrophobicContact CG-CB 4.33Å; F348-K388 HydrophobicContact CG-CD 4.22Å; F348-K388 HydrophobicContact CG-CG 4.2Å; F348-K388 HydrophobicContact CZ-CB 3.91Å; F348-K388 HydrophobicContact CZ-CG 4.06Å; F348-K388 WeakPolarHBondContact O-CD 3.38Å; F348-K388 WeakPolarHBondContact O-CE 3.34Å; F348-K388 PolarHBondContact O-NZ 2.65Å; K388-L390 PolarHBondContact O-N 3.27Å; K388-L390 VanDerWaalsContact O-N 3.08Å; K388-I402 HydrophobicContact CB-CD1 4.14Å; K388-I402 HydrophobicContact CD-CD1 3.92Å; K388-D404 WeakPolarHBondContact CE-OD2 3.31Å; K388-D404 IonicContact NZ-OD2 3.23Å; K388-D404 PolarHBondContact NZ-OD2 2.87Å; K388-A409 WeakPolarHBondContact CB-O 3.24Å; K388-A409 HydrophobicContact CD-CB 4.33Å; K388-A409 PolarHBondContact N-O 3.07Å | ||
| 389 | D | 97.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | trans | -54.6 | 115 | 176.4 | 171.5 | 33 | 0 | 0 | 0 | 111.1 | L267 V380 I387 N391 I392 Y412 Q413 | L267-D389 HydrophobicContact CD1-CB 4.46Å; L267-D389 HydrophobicContact CD2-CB 4.4Å; V380-D389 HydrophobicContact CG2-CB 4.15Å; I387-D389 PolarHBondContact O-N 2.75Å; D389-N391 PolarHBondContact O-N 3.19Å; D389-N391 WeakPolarHBondContact OD1-CB 3.4Å; D389-N391 PolarHBondContact OD1-N 3.02Å; D389-N391 VanDerWaalsContact OD1-N 3.08Å; D389-N391 PolarHBondContact OD1-ND2 3.43Å; D389-I392 HydrophobicContact CB-CG2 4.37Å; D389-I392 WeakPolarHBondContact O-CG1 3.5Å; D389-I392 WeakPolarHBondContact OD2-CG2 3.17Å; D389-Y412 HydrophobicContact CB-CD2 4.25Å; D389-Q413 PolarHBondContact OD1-NE2 3.3Å | ||
| 390 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -72.9 | -14.6 | -177.3 | -57.1 | -175.9 | 0 | 0 | 0 | 113.2 | V291 K388 I392 L393 L397 T400 I402 Q413 N416 | V291-L390 HydrophobicContact CG2-CD2 4.23Å; K388-L390 PolarHBondContact O-N 3.27Å; K388-L390 VanDerWaalsContact O-N 3.08Å; L390-I392 VanDerWaalsContact C-N 3.28Å; L390-I392 PolarHBondContact O-N 2.91Å; L390-L393 HydrophobicContact CB-CD1 4.18Å; L390-L393 HydrophobicContact CD2-CD1 3.85Å; L390-L393 WeakPolarHBondContact O-CB 3.48Å; L390-L393 VanDerWaalsContact O-CG 3.28Å; L390-L393 WeakPolarHBondContact O-CG 3.28Å; L390-L393 PolarHBondContact O-N 2.89Å; L390-L397 HydrophobicContact CB-CD2 3.6Å; L390-L397 HydrophobicContact CD1-CD2 4.36Å; L390-T400 HydrophobicContact CD1-CG2 4.39Å; L390-I402 HydrophobicContact CD1-CB 4.49Å; L390-I402 HydrophobicContact CD1-CG2 4.11Å; L390-I402 HydrophobicContact CD2-CB 4.24Å; L390-I402 HydrophobicContact CD2-CD1 4.13Å; L390-I402 HydrophobicContact CD2-CG2 4.45Å; L390-Q413 HydrophobicContact CB-CG 4.06Å; L390-Q413 HydrophobicContact CD1-CB 3.76Å; L390-Q413 HydrophobicContact CD1-CG 4.13Å; L390-Q413 HydrophobicContact CG-CB 4.15Å; L390-Q413 HydrophobicContact CG-CG 4.18Å; L390-N416 HydrophobicContact CD1-CB 3.67Å |
| 391 | N | 96.6 | Very high | 96.8 | Very high | 73 Ų | 73 | 33.3 Ų | 33.3 | 39% | 0.39 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -62.6 | -36.1 | 177.8 | -64.3 | -60.1 | 0 | 0 | 0 | 111.8 | D389 L393 G394 Q413 | D389-N391 PolarHBondContact O-N 3.19Å; D389-N391 WeakPolarHBondContact OD1-CB 3.4Å; D389-N391 PolarHBondContact OD1-N 3.02Å; D389-N391 VanDerWaalsContact OD1-N 3.08Å; D389-N391 PolarHBondContact OD1-ND2 3.43Å; N391-L393 PolarHBondContact O-N 2.79Å; N391-G394 PolarHBondContact O-N 3.42Å; N391-G394 VanDerWaalsContact O-N 3.14Å; N391-Q413 PolarHBondContact ND2-NE2 2.83Å; N391-Q413 VanDerWaalsContact ND2-NE2 3.11Å |
| 392 | I | 96.9 | Very high | 96.9 | Very high | 13 Ų | 13 | 29.8 Ų | 29.8 | 7% | 0.067 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -61.9 | -14.8 | -179.3 | 83 | -173.9 | 0 | 0 | 0 | 113.2 | P276 A277 F348 H378 D389 L390 G394 | P276-I392 CarbonylContact C-O 3.26Å; P276-I392 VanDerWaalsContact CA-O 3.25Å; P276-I392 WeakPolarHBondContact CA-O 3.4Å; A277-I392 HydrophobicContact CB-CG1 4.45Å; A277-I392 PolarHBondContact N-O 2.94Å; F348-I392 HydrophobicContact CE2-CD1 3.86Å; F348-I392 HydrophobicContact CE2-CG1 4.5Å; F348-I392 HydrophobicContact CZ-CD1 3.66Å; H378-I392 HydrophobicContact CB-CD1 3.98Å; H378-I392 WeakPolarHBondContact O-CD1 3.43Å; D389-I392 HydrophobicContact CB-CG2 4.37Å; D389-I392 WeakPolarHBondContact O-CG1 3.5Å; D389-I392 WeakPolarHBondContact OD2-CG2 3.17Å; L390-I392 VanDerWaalsContact C-N 3.28Å; L390-I392 PolarHBondContact O-N 2.91Å; I392-G394 VanDerWaalsContact C-N 3.27Å; I392-G394 PolarHBondContact O-N 2.57Å |
| 393 | L | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -74.3 | -19.5 | -179.4 | -53 | 178.2 | 0 | 0 | 0 | 112.3 | L278 V291 I346 F348 L374 L390 N391 R395 T400 | L278-L393 HydrophobicContact CD1-CB 4.14Å; L278-L393 HydrophobicContact CD1-CD2 4.01Å; L278-L393 HydrophobicContact CG-CD2 4.35Å; V291-L393 HydrophobicContact CG2-CD1 3.58Å; I346-L393 HydrophobicContact CD1-CD1 4.42Å; I346-L393 HydrophobicContact CG2-CD2 4.43Å; F348-L393 HydrophobicContact CD2-CD2 4.35Å; L374-L393 HydrophobicContact CD1-CD2 3.29Å; L390-L393 HydrophobicContact CB-CD1 4.18Å; L390-L393 HydrophobicContact CD2-CD1 3.85Å; L390-L393 WeakPolarHBondContact O-CB 3.48Å; L390-L393 VanDerWaalsContact O-CG 3.28Å; L390-L393 WeakPolarHBondContact O-CG 3.28Å; L390-L393 PolarHBondContact O-N 2.89Å; N391-L393 PolarHBondContact O-N 2.79Å; L393-R395 HydrophobicContact CB-CB 4.22Å; L393-R395 HydrophobicContact CB-CG 3.78Å; L393-R395 PolarHBondContact O-N 3.37Å; L393-R395 PolarHBondContact O-NH1 2.85Å; L393-T400 HydrophobicContact CD1-CG2 4.1Å |
| 394 | G | 96.8 | Very high | 97.5 | Very high | 40 Ų | 40 | 21.7 Ų | 21.7 | 41% | 0.412 | 13% | 0.131 | S | C | . | . | trans | 56.2 | 41.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N391 I392 | N391-G394 PolarHBondContact O-N 3.42Å; N391-G394 VanDerWaalsContact O-N 3.14Å; I392-G394 VanDerWaalsContact C-N 3.27Å; I392-G394 PolarHBondContact O-N 2.57Å | ||
| 395 | R | 97.9 | Very high | 97.9 | Very high | 27 Ų | 27 | 20.2 Ų | 20.2 | 10% | 0.102 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -119.6 | 154.7 | 179.5 | -59 | -52.9 | -173.1 | -110.7 | 14.8 | 109.5 | P279 E344 L393 L397 T400 | P279-R395 PolarHBondContact O-NH1 3.06Å; P279-R395 PolarHBondContact O-NH2 2.76Å; E344-R395 IonicContact OE1-CZ 3.44Å; E344-R395 IonicContact OE1-NE 3.35Å; E344-R395 PolarHBondContact OE1-NE 2.89Å; E344-R395 IonicContact OE1-NH2 2.6Å; E344-R395 PolarHBondContact OE1-NH2 2.77Å; E344-R395 IonicContact OE2-CZ 2.88Å; E344-R395 IonicContact OE2-NE 3.55Å; E344-R395 PolarHBondContact OE2-NE 2.53Å; E344-R395 IonicContact OE2-NH2 2.66Å; L393-R395 HydrophobicContact CB-CB 4.22Å; L393-R395 HydrophobicContact CB-CG 3.78Å; L393-R395 PolarHBondContact O-N 3.37Å; L393-R395 PolarHBondContact O-NH1 2.85Å; R395-L397 PolarHBondContact O-N 2.96Å; R395-T400 WeakPolarHBondContact CB-OG1 3.25Å |
| 396 | D | 97.9 | Very high | 98.1 | Very high | 93 Ų | 93 | 19 Ų | 19 | 50% | 0.497 | 11% | 0.106 | S | C | . | . | trans | -71.5 | 123 | 173.7 | -178.8 | 8.4 | 0 | 0 | 0 | 109.8 | S398 K399 T400 | D396-S398 VanDerWaalsContact CG-OG 3.28Å; D396-S398 PolarHBondContact O-N 3.49Å; D396-S398 PolarHBondContact OD1-N 2.93Å; D396-S398 PolarHBondContact OD1-OG 2.98Å; D396-S398 WeakPolarHBondContact OD2-CB 3.38Å; D396-S398 PolarHBondContact OD2-OG 2.73Å; D396-K399 CarbonylContact O-C 3.5Å; D396-K399 PolarHBondContact O-N 2.81Å; D396-T400 WeakPolarHBondContact O-CB 3.29Å; D396-T400 PolarHBondContact O-N 2.93Å; D396-T400 VanDerWaalsContact O-N 3.09Å; D396-T400 PolarHBondContact O-OG1 2.91Å | ||
| 397 | L | 98.6 | Very high | 98.1 | Very high | 30 Ų | 30 | 17 Ų | 17 | 16% | 0.157 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -13.9 | 175.9 | -60.1 | -177.7 | 0 | 0 | 0 | 112.7 | L390 R395 K399 Q413 N416 R450 | L390-L397 HydrophobicContact CB-CD2 3.6Å; L390-L397 HydrophobicContact CD1-CD2 4.36Å; R395-L397 PolarHBondContact O-N 2.96Å; L397-K399 PolarHBondContact O-N 2.76Å; L397-Q413 HydrophobicContact CD1-CG 4.19Å; L397-N416 PolarHBondContact O-ND2 2.77Å; L397-R450 WeakPolarHBondContact O-CD 3.39Å |
| 398 | S | 98.8 | Very high | 98 | Very high | 19 Ų | 19 | 17.4 Ų | 17.4 | 13% | 0.133 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -19.6 | 167.4 | 92.7 | 0 | 0 | 0 | 0 | 112.9 | D396 D448 V449 | D396-S398 VanDerWaalsContact CG-OG 3.28Å; D396-S398 PolarHBondContact O-N 3.49Å; D396-S398 PolarHBondContact OD1-N 2.93Å; D396-S398 PolarHBondContact OD1-OG 2.98Å; D396-S398 WeakPolarHBondContact OD2-CB 3.38Å; D396-S398 PolarHBondContact OD2-OG 2.73Å; S398-D448 WeakPolarHBondContact CA-OD1 3.35Å; S398-D448 WeakPolarHBondContact O-CA 3.29Å; S398-V449 PolarHBondContact O-N 3.23Å |
| 399 | K | 98.8 | Very high | 98 | Very high | 21 Ų | 21 | 17.6 Ų | 17.6 | 9% | 0.091 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -120 | 7.5 | -176.6 | -57.6 | -61.2 | 179.2 | 179.5 | 0 | 114.1 | E287 F288 S289 D396 L397 N446 E447 | E287-K399 HydrophobicContact CG-CG 4.45Å; E287-K399 VanDerWaalsContact OE1-CE 3.27Å; E287-K399 WeakPolarHBondContact OE1-CE 3.41Å; E287-K399 IonicContact OE1-NZ 3.8Å; F288-K399 CarbonylContact C-O 3.48Å; F288-K399 VanDerWaalsContact CA-O 3.31Å; F288-K399 WeakPolarHBondContact CA-O 3.25Å; F288-K399 HydrophobicContact CD1-CB 4.11Å; F288-K399 HydrophobicContact CD1-CD 3.98Å; F288-K399 HydrophobicContact CE1-CB 4.46Å; F288-K399 HydrophobicContact CE1-CD 3.53Å; F288-K399 HydrophobicContact CE2-CD 4.17Å; F288-K399 HydrophobicContact CG-CD 4.48Å; F288-K399 HydrophobicContact CZ-CD 3.64Å; S289-K399 PolarHBondContact N-O 3.06Å; D396-K399 CarbonylContact O-C 3.5Å; D396-K399 PolarHBondContact O-N 2.81Å; L397-K399 PolarHBondContact O-N 2.76Å; K399-N446 PolarHBondContact NZ-O 2.93Å; K399-N446 PolarHBondContact NZ-OD1 3.47Å; K399-E447 PolarHBondContact NZ-O 2.73Å |
| 400 | T | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.6 | -176.4 | -57 | 0 | 0 | 0 | 0 | 110.9 | S289 V291 L390 L393 R395 D396 N416 V449 | S289-T400 WeakPolarHBondContact O-CA 3.37Å; V291-T400 HydrophobicContact CG2-CG2 4.04Å; L390-T400 HydrophobicContact CD1-CG2 4.39Å; L393-T400 HydrophobicContact CD1-CG2 4.1Å; R395-T400 WeakPolarHBondContact CB-OG1 3.25Å; D396-T400 WeakPolarHBondContact O-CB 3.29Å; D396-T400 PolarHBondContact O-N 2.93Å; D396-T400 VanDerWaalsContact O-N 3.09Å; D396-T400 PolarHBondContact O-OG1 2.91Å; T400-N416 PolarHBondContact O-ND2 3.44Å; T400-V449 WeakPolarHBondContact O-CG2 3.26Å |
| 401 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 144.4 | 178.7 | -54 | 176.5 | 0 | 0 | 0 | 107.8 | S289 L290 V291 Y343 I418 L439 L442 V449 I453 | S289-I401 PolarHBondContact O-N 3.42Å; L290-I401 HydrophobicContact CD1-CB 3.9Å; L290-I401 HydrophobicContact CD1-CG2 3.93Å; V291-I401 WeakPolarHBondContact CB-O 3.44Å; V291-I401 PolarHBondContact N-O 3.41Å; Y343-I401 HydrophobicContact CE1-CD1 3.76Å; Y343-I401 WeakPolarHBondContact OH-CD1 3.45Å; I401-I418 HydrophobicContact CG2-CD1 3.6Å; I401-I418 HydrophobicContact CG2-CG1 3.97Å; I401-L439 HydrophobicContact CD1-CD2 3.86Å; I401-L439 HydrophobicContact CG2-CD2 4.35Å; I401-L442 HydrophobicContact CD1-CD1 3.48Å; I401-L442 VanDerWaalsContact CD1-CD1 3.48Å; I401-V449 HydrophobicContact CD1-CG1 4.15Å; I401-V449 HydrophobicContact CG1-CB 4.24Å; I401-V449 HydrophobicContact CG1-CG1 4.08Å; I401-V449 HydrophobicContact CG1-CG2 4.09Å; I401-I453 HydrophobicContact CB-CD1 4.48Å; I401-I453 HydrophobicContact CG1-CD1 4.04Å; I401-I453 HydrophobicContact CG2-CD1 4.01Å |
| 402 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.2 | 165.1 | -174.5 | 164.5 | 0 | 0 | 0 | 111.1 | V291 K388 L390 D404 F410 N416 G417 I418 | V291-I402 HydrophobicContact CB-CB 3.94Å; V291-I402 HydrophobicContact CB-CD1 4.31Å; V291-I402 HydrophobicContact CB-CG1 3.93Å; V291-I402 HydrophobicContact CG1-CB 4.39Å; V291-I402 HydrophobicContact CG1-CD1 3.79Å; V291-I402 HydrophobicContact CG1-CG1 3.9Å; V291-I402 CarbonylContact O-C 3.48Å; V291-I402 WeakPolarHBondContact O-CA 2.97Å; K388-I402 HydrophobicContact CB-CD1 4.14Å; K388-I402 HydrophobicContact CD-CD1 3.92Å; L390-I402 HydrophobicContact CD1-CB 4.49Å; L390-I402 HydrophobicContact CD1-CG2 4.11Å; L390-I402 HydrophobicContact CD2-CB 4.24Å; L390-I402 HydrophobicContact CD2-CD1 4.13Å; L390-I402 HydrophobicContact CD2-CG2 4.45Å; I402-D404 HydrophobicContact CG1-CB 4.37Å; I402-F410 HydrophobicContact CD1-CB 4.37Å; I402-F410 HydrophobicContact CG2-CB 3.67Å; I402-F410 HydrophobicContact CG2-CD1 4.36Å; I402-F410 HydrophobicContact CG2-CG 3.98Å; I402-N416 PolarHBondContact N-O 3Å; I402-G417 WeakPolarHBondContact O-CA 3.43Å; I402-I418 PolarHBondContact O-N 2.95Å |
| 403 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.8 | 168.8 | -58.6 | 166.5 | 0 | 0 | 0 | 107.9 | L290 V291 L292 D293 F335 I418 I420 L435 L439 | L290-I403 HydrophobicContact CD1-CD1 3.83Å; L290-I403 HydrophobicContact CD1-CG1 4.17Å; V291-I403 PolarHBondContact O-N 3.46Å; L292-I403 HydrophobicContact CD2-CB 3.93Å; L292-I403 HydrophobicContact CD2-CD1 3.79Å; L292-I403 HydrophobicContact CD2-CG1 4.24Å; D293-I403 PolarHBondContact N-O 3.01Å; F335-I403 HydrophobicContact CZ-CD1 3.83Å; I403-I418 WeakPolarHBondContact CA-O 3.31Å; I403-I418 HydrophobicContact CG1-CB 3.96Å; I403-I418 HydrophobicContact CG1-CD1 4.42Å; I403-I418 HydrophobicContact CG1-CG2 4.12Å; I403-I420 HydrophobicContact CG2-CB 4.05Å; I403-I420 HydrophobicContact CG2-CD1 4.34Å; I403-I420 HydrophobicContact CG2-CG2 3.97Å; I403-L435 HydrophobicContact CD1-CD1 3.91Å; I403-L435 HydrophobicContact CG1-CD1 4.36Å; I403-L435 HydrophobicContact CG2-CD1 3.94Å; I403-L439 HydrophobicContact CD1-CD1 3.88Å; I403-L439 HydrophobicContact CD1-CD2 4.37Å |
| 404 | D | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.011 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 142.6 | -172.3 | -162.6 | -51.4 | 0 | 0 | 0 | 109.1 | D293 K388 I402 S406 A409 F410 I418 I420 | D293-D404 HydrophobicContact CB-CB 4.41Å; K388-D404 WeakPolarHBondContact CE-OD2 3.31Å; K388-D404 IonicContact NZ-OD2 3.23Å; K388-D404 PolarHBondContact NZ-OD2 2.87Å; I402-D404 HydrophobicContact CG1-CB 4.37Å; D404-S406 PolarHBondContact O-N 2.96Å; D404-S406 VanDerWaalsContact OD1-CB 3.31Å; D404-S406 WeakPolarHBondContact OD1-CB 3.17Å; D404-S406 PolarHBondContact OD1-N 3Å; D404-A409 VanDerWaalsContact OD2-CB 3.29Å; D404-A409 WeakPolarHBondContact OD2-CB 3.33Å; D404-F410 HydrophobicContact CB-CD1 3.73Å; D404-F410 HydrophobicContact CB-CE1 3.84Å; D404-I418 PolarHBondContact N-O 2.81Å; D404-I420 PolarHBondContact O-N 3.34Å |
| 405 | N | 98.2 | Very high | 98.2 | Very high | 16 Ų | 16 | 17.2 Ų | 17.2 | 9% | 0.086 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -78.1 | -11.3 | 178 | 72.7 | -45.3 | 0 | 0 | 0 | 113.2 | E296 T297 I420 S422 | E296-N405 WeakPolarHBondContact CB-ND2 3.37Å; T297-N405 PolarHBondContact OG1-N 3.02Å; N405-I420 WeakPolarHBondContact CA-O 3.31Å; N405-I420 HydrophobicContact CB-CG2 4.12Å; N405-S422 PolarHBondContact ND2-OG 2.97Å |
| 406 | S | 97.2 | Very high | 98.2 | Very high | 3 Ų | 3 | 16.2 Ų | 16.2 | 2% | 0.021 | 9% | 0.089 | C | C | . | . | trans | -117.1 | 99.1 | -170.6 | -53.9 | 0 | 0 | 0 | 0 | 110.1 | V148 D404 Q408 A409 | V148-S406 WeakPolarHBondContact CG1-OG 3.38Å; D404-S406 PolarHBondContact O-N 2.96Å; D404-S406 VanDerWaalsContact OD1-CB 3.31Å; D404-S406 WeakPolarHBondContact OD1-CB 3.17Å; D404-S406 PolarHBondContact OD1-N 3Å; S406-Q408 VanDerWaalsContact C-OE1 3.26Å; S406-Q408 PolarHBondContact O-N 3.18Å; S406-Q408 VanDerWaalsContact O-N 3.08Å; S406-A409 VanDerWaalsContact O-CB 3.23Å; S406-A409 WeakPolarHBondContact O-CB 3.24Å; S406-A409 PolarHBondContact O-N 3.4Å | ||
| 407 | P | 96.8 | Very high | 98.2 | Very high | 16 Ų | 16 | 11.8 Ų | 11.8 | 10% | 0.104 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | -53.5 | -35.2 | -175.7 | -28.4 | 36 | 0 | 0 | 0 | 114.3 | Y258 I261 A409 F410 | Y258-P407 HydrophobicContact CE1-CB 4.16Å; I261-P407 HydrophobicContact CD1-CB 3.9Å; P407-A409 PolarHBondContact O-N 3.21Å; P407-F410 HydrophobicContact CB-CZ 4.4Å; P407-F410 PolarHBondContact O-N 3.1Å |
| 408 | Q | 96.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 10.4 Ų | 10.4 | 3% | 0.033 | 6% | 0.058 | C | C | . | . | G | 310 helix | trans | -65.6 | -24.3 | 177.6 | 72.7 | -80.4 | 27.3 | 0 | 0 | 113.7 | F255 P257 F260 I261 S406 F410 A411 | F255-Q408 HydrophobicContact CE1-CG 4.15Å; F255-Q408 HydrophobicContact CZ-CB 4.42Å; F255-Q408 HydrophobicContact CZ-CG 4.11Å; P257-Q408 HydrophobicContact CB-CB 4.2Å; F260-Q408 HydrophobicContact CD1-CB 3.55Å; F260-Q408 HydrophobicContact CD1-CG 4.43Å; F260-Q408 HydrophobicContact CE1-CB 3.87Å; I261-Q408 HydrophobicContact CG1-CB 4.41Å; S406-Q408 VanDerWaalsContact C-OE1 3.26Å; S406-Q408 PolarHBondContact O-N 3.18Å; S406-Q408 VanDerWaalsContact O-N 3.08Å; Q408-F410 PolarHBondContact O-N 3.11Å; Q408-A411 PolarHBondContact O-N 3.24Å |
| 409 | A | 98.1 | Very high | 98.2 | Very high | 6 Ų | 6 | 11.3 Ų | 11.3 | 5% | 0.05 | 6% | 0.063 | C | C | . | . | G | 310 helix | trans | -67.2 | -17.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K388 D404 S406 P407 | K388-A409 WeakPolarHBondContact CB-O 3.24Å; K388-A409 HydrophobicContact CD-CB 4.33Å; K388-A409 PolarHBondContact N-O 3.07Å; D404-A409 VanDerWaalsContact OD2-CB 3.29Å; D404-A409 WeakPolarHBondContact OD2-CB 3.33Å; S406-A409 VanDerWaalsContact O-CB 3.23Å; S406-A409 WeakPolarHBondContact O-CB 3.24Å; S406-A409 PolarHBondContact O-N 3.4Å; P407-A409 PolarHBondContact O-N 3.21Å |
| 410 | F | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -123.3 | 25 | 177 | 55.6 | -95.5 | 0 | 0 | 0 | 113.7 | I402 D404 P407 Q408 Y412 Q413 L414 L459 | I402-F410 HydrophobicContact CD1-CB 4.37Å; I402-F410 HydrophobicContact CG2-CB 3.67Å; I402-F410 HydrophobicContact CG2-CD1 4.36Å; I402-F410 HydrophobicContact CG2-CG 3.98Å; D404-F410 HydrophobicContact CB-CD1 3.73Å; D404-F410 HydrophobicContact CB-CE1 3.84Å; P407-F410 HydrophobicContact CB-CZ 4.4Å; P407-F410 PolarHBondContact O-N 3.1Å; Q408-F410 PolarHBondContact O-N 3.11Å; F410-Y412 VanDerWaalsContact C-N 3.3Å; F410-Y412 PolarHBondContact O-N 3.3Å; F410-Y412 VanDerWaalsContact O-N 3.15Å; F410-Q413 CarbonylContact O-C 3.22Å; F410-Q413 VanDerWaalsContact O-C 3.26Å; F410-Q413 PolarHBondContact O-N 2.89Å; F410-L414 HydrophobicContact CD2-CD1 4.08Å; F410-L414 HydrophobicContact CE2-CD1 3.83Å; F410-L414 PolarHBondContact O-N 2.98Å; F410-L459 HydrophobicContact CE2-CD1 3.55Å; F410-L459 HydrophobicContact CZ-CD1 3.81Å |
| 411 | A | 97.8 | Very high | 98.2 | Very high | 13 Ų | 13 | 17.3 Ų | 17.3 | 11% | 0.107 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -46.4 | -46.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | I261 V264 I387 Q408 Q413 | I261-A411 HydrophobicContact CB-CB 4.29Å; I261-A411 HydrophobicContact CG1-CB 3.8Å; I261-A411 HydrophobicContact CG2-CB 4.14Å; V264-A411 HydrophobicContact CG2-CB 3.87Å; I387-A411 HydrophobicContact CD1-CB 4.38Å; I387-A411 HydrophobicContact CG2-CB 4.2Å; Q408-A411 PolarHBondContact O-N 3.24Å; A411-Q413 PolarHBondContact O-N 3.47Å |
| 412 | Y | 97.9 | Very high | 98.1 | Very high | 53 Ų | 53 | 19.2 Ų | 19.2 | 21% | 0.208 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -64.3 | -19.9 | -179.6 | -69.2 | -56.7 | 0 | 0 | 0 | 114.6 | V264 P265 L267 V380 I387 D389 F410 | V264-Y412 HydrophobicContact CG1-CD1 4.12Å; V264-Y412 HydrophobicContact CG1-CE1 3.36Å; V264-Y412 HydrophobicContact CG1-CE2 4.16Å; V264-Y412 WeakPolarHBondContact CG1-OH 3.28Å; P265-Y412 VanDerWaalsContact O-CE1 3.28Å; P265-Y412 WeakPolarHBondContact O-CE1 3.39Å; P265-Y412 PolarHBondContact O-OH 3.21Å; L267-Y412 HydrophobicContact CD1-CD1 4.39Å; L267-Y412 HydrophobicContact CD1-CD2 4.45Å; L267-Y412 HydrophobicContact CD1-CG 4.3Å; L267-Y412 HydrophobicContact CD2-CD1 4.44Å; L267-Y412 HydrophobicContact CD2-CD2 3.84Å; L267-Y412 HydrophobicContact CD2-CE1 4.05Å; L267-Y412 HydrophobicContact CD2-CE2 3.4Å; L267-Y412 HydrophobicContact CD2-CG 4.36Å; L267-Y412 HydrophobicContact CG-CD1 3.98Å; L267-Y412 HydrophobicContact CG-CD2 4.19Å; L267-Y412 HydrophobicContact CG-CE1 3.77Å; L267-Y412 HydrophobicContact CG-CE2 4.01Å; L267-Y412 HydrophobicContact CG-CG 4.19Å; V380-Y412 HydrophobicContact CB-CE2 4.33Å; V380-Y412 HydrophobicContact CG1-CE2 4.35Å; I387-Y412 HydrophobicContact CB-CD2 4.19Å; I387-Y412 HydrophobicContact CB-CE2 4.08Å; I387-Y412 HydrophobicContact CD1-CD2 4.44Å; I387-Y412 HydrophobicContact CD1-CE2 3.86Å; I387-Y412 HydrophobicContact CG2-CD2 3.5Å; I387-Y412 VanDerWaalsContact CG2-CD2 3.5Å; I387-Y412 HydrophobicContact CG2-CE2 3.87Å; I387-Y412 HydrophobicContact CG2-CG 4.39Å; D389-Y412 HydrophobicContact CB-CD2 4.25Å; F410-Y412 VanDerWaalsContact C-N 3.3Å; F410-Y412 PolarHBondContact O-N 3.3Å; F410-Y412 VanDerWaalsContact O-N 3.15Å |
| 413 | Q | 98.1 | Very high | 98.1 | Very high | 14 Ų | 14 | 19.8 Ų | 19.8 | 7% | 0.065 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -136.3 | 50.5 | -179.7 | -65.7 | 89.9 | 12.9 | 0 | 0 | 111.3 | D389 L390 N391 L397 F410 A411 S415 N416 G417 | D389-Q413 PolarHBondContact OD1-NE2 3.3Å; L390-Q413 HydrophobicContact CB-CG 4.06Å; L390-Q413 HydrophobicContact CD1-CB 3.76Å; L390-Q413 HydrophobicContact CD1-CG 4.13Å; L390-Q413 HydrophobicContact CG-CB 4.15Å; L390-Q413 HydrophobicContact CG-CG 4.18Å; N391-Q413 PolarHBondContact ND2-NE2 2.83Å; N391-Q413 VanDerWaalsContact ND2-NE2 3.11Å; L397-Q413 HydrophobicContact CD1-CG 4.19Å; F410-Q413 CarbonylContact O-C 3.22Å; F410-Q413 VanDerWaalsContact O-C 3.26Å; F410-Q413 PolarHBondContact O-N 2.89Å; A411-Q413 PolarHBondContact O-N 3.47Å; Q413-S415 PolarHBondContact O-N 3.08Å; Q413-N416 HydrophobicContact CB-CB 4.08Å; Q413-N416 WeakPolarHBondContact O-CA 3.46Å; Q413-N416 WeakPolarHBondContact O-CB 3.29Å; Q413-N416 PolarHBondContact O-N 2.79Å; Q413-G417 PolarHBondContact O-N 3.21Å |
| 414 | L | 97.8 | Very high | 97.9 | Very high | 12 Ų | 12 | 24 Ų | 24 | 6% | 0.063 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -52.4 | -31.7 | -178.1 | -160.1 | 71.9 | 0 | 0 | 0 | 114.2 | I261 F410 N416 G417 L459 L463 | I261-L414 HydrophobicContact CD1-CD1 4.02Å; I261-L414 HydrophobicContact CG2-CD1 4.35Å; I261-L414 HydrophobicContact CG2-CD2 4.36Å; F410-L414 HydrophobicContact CD2-CD1 4.08Å; F410-L414 HydrophobicContact CE2-CD1 3.83Å; F410-L414 PolarHBondContact O-N 2.98Å; L414-N416 VanDerWaalsContact C-N 3.29Å; L414-N416 PolarHBondContact O-N 2.89Å; L414-G417 PolarHBondContact O-N 2.98Å; L414-L459 HydrophobicContact CD1-CB 4.06Å; L414-L459 HydrophobicContact CD1-CD1 3.99Å; L414-L459 HydrophobicContact CD2-CB 3.94Å; L414-L459 HydrophobicContact CG-CB 3.85Å; L414-L459 HydrophobicContact CG-CD1 4.34Å; L414-L463 HydrophobicContact CD2-CD1 4.02Å; L414-L463 HydrophobicContact CD2-CD2 4.28Å; L414-L463 HydrophobicContact CD2-CG 4.31Å |
| 415 | S | 98.5 | Very high | 97.8 | Very high | 29 Ų | 29 | 29.1 Ų | 29.1 | 20% | 0.203 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -74.9 | -10.1 | 175.7 | -49.9 | 0 | 0 | 0 | 0 | 114.9 | Q413 R450 I453 H460 | Q413-S415 PolarHBondContact O-N 3.08Å; S415-R450 WeakPolarHBondContact O-CA 3.13Å; S415-I453 WeakPolarHBondContact O-CB 3.2Å; S415-I453 WeakPolarHBondContact O-CG2 3.31Å; S415-H460 PolarHBondContact OG-CE1 3.17Å; S415-H460 PolarHBondContact OG-NE2 3.5Å |
| 416 | N | 98.9 | Very high | 97.7 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.032 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -99.7 | -8.8 | 174.5 | -70.2 | 87.7 | 0 | 0 | 0 | 112.2 | L390 L397 T400 I402 Q413 L414 R450 | L390-N416 HydrophobicContact CD1-CB 3.67Å; L397-N416 PolarHBondContact O-ND2 2.77Å; T400-N416 PolarHBondContact O-ND2 3.44Å; I402-N416 PolarHBondContact N-O 3Å; Q413-N416 HydrophobicContact CB-CB 4.08Å; Q413-N416 WeakPolarHBondContact O-CA 3.46Å; Q413-N416 WeakPolarHBondContact O-CB 3.29Å; Q413-N416 PolarHBondContact O-N 2.79Å; L414-N416 VanDerWaalsContact C-N 3.29Å; L414-N416 PolarHBondContact O-N 2.89Å; N416-R450 WeakPolarHBondContact ND2-CG 3.12Å; N416-R450 VanDerWaalsContact OD1-CD 3.29Å; N416-R450 WeakPolarHBondContact OD1-CD 3.41Å |
| 417 | G | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 132.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | I402 Q413 L414 I453 | I402-G417 WeakPolarHBondContact O-CA 3.43Å; Q413-G417 PolarHBondContact O-N 3.21Å; L414-G417 PolarHBondContact O-N 2.98Å; G417-I453 WeakPolarHBondContact O-CG2 3.34Å |
| 418 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 114.2 | 171.3 | -66.1 | -176.5 | 0 | 0 | 0 | 107 | I401 I402 I403 D404 L435 F438 L439 I453 F457 | I401-I418 HydrophobicContact CG2-CD1 3.6Å; I401-I418 HydrophobicContact CG2-CG1 3.97Å; I402-I418 PolarHBondContact O-N 2.95Å; I403-I418 WeakPolarHBondContact CA-O 3.31Å; I403-I418 HydrophobicContact CG1-CB 3.96Å; I403-I418 HydrophobicContact CG1-CD1 4.42Å; I403-I418 HydrophobicContact CG1-CG2 4.12Å; D404-I418 PolarHBondContact N-O 2.81Å; I418-L435 HydrophobicContact CG2-CD1 4.04Å; I418-L435 HydrophobicContact CG2-CD2 3.77Å; I418-F438 HydrophobicContact CD1-CD1 4.01Å; I418-F438 HydrophobicContact CD1-CE1 3.87Å; I418-L439 HydrophobicContact CD1-CD2 3.92Å; I418-I453 HydrophobicContact CD1-CD1 4.49Å; I418-I453 HydrophobicContact CD1-CG1 4.47Å; I418-I453 HydrophobicContact CG1-CD1 4.33Å; I418-I453 HydrophobicContact CG1-CG1 4.28Å; I418-I453 HydrophobicContact CG1-CG2 4.26Å; I418-F457 HydrophobicContact CB-CE2 4.25Å; I418-F457 HydrophobicContact CB-CZ 4.45Å; I418-F457 HydrophobicContact CD1-CE2 4.15Å; I418-F457 HydrophobicContact CG1-CD2 4.26Å; I418-F457 HydrophobicContact CG1-CE2 3.74Å; I418-F457 HydrophobicContact CG1-CZ 4.34Å; I418-F457 HydrophobicContact CG2-CE1 4.22Å; I418-F457 HydrophobicContact CG2-CE2 3.96Å; I418-F457 HydrophobicContact CG2-CZ 3.67Å |
| 419 | P | 98.4 | Very high | 97.8 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 25% | 0.247 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 145.7 | 172.7 | 34 | -35.4 | 0 | 0 | 0 | 109.4 | F457 L459 | P419-F457 HydrophobicContact CG-CB 4.36Å; P419-F457 HydrophobicContact CG-CD1 3.77Å; P419-F457 HydrophobicContact CG-CE1 4.4Å; P419-F457 HydrophobicContact CG-CG 4.25Å; P419-L459 HydrophobicContact CG-CD1 4.43Å; P419-L459 HydrophobicContact CG-CD2 4.13Å |
| 420 | I | 98.6 | Very high | 97.8 | Very high | 14 Ų | 14 | 47.2 Ų | 47.2 | 7% | 0.072 | 24% | 0.239 | C | C | . | . | trans | -130.5 | 150.9 | 169.3 | -166.1 | 171.3 | 0 | 0 | 0 | 109.6 | T297 I403 D404 N405 E431 L432 L435 | T297-I420 HydrophobicContact CG2-CG2 4.2Å; I403-I420 HydrophobicContact CG2-CB 4.05Å; I403-I420 HydrophobicContact CG2-CD1 4.34Å; I403-I420 HydrophobicContact CG2-CG2 3.97Å; D404-I420 PolarHBondContact O-N 3.34Å; N405-I420 WeakPolarHBondContact CA-O 3.31Å; N405-I420 HydrophobicContact CB-CG2 4.12Å; I420-E431 HydrophobicContact CD1-CB 3.88Å; I420-E431 HydrophobicContact CG1-CB 3.77Å; I420-E431 HydrophobicContact CG1-CG 4.46Å; I420-L432 HydrophobicContact CD1-CD2 3.57Å; I420-L432 HydrophobicContact CD1-CG 4.28Å; I420-L435 HydrophobicContact CD1-CD1 4Å; I420-L435 HydrophobicContact CG1-CD1 4.46Å | ||
| 421 | E | 97.8 | Very high | 97.8 | Very high | 134 Ų | 134 | 49 Ų | 49 | 63% | 0.626 | 25% | 0.247 | S | C | * | . | trans | -66.6 | 137.3 | 175.1 | -60 | -169 | 163.4 | 0 | 0 | 110.5 | R329 W423 E431 | R329-E421 VanDerWaalsContact CZ-O 3.31Å; R329-E421 PolarHBondContact NH1-O 3.02Å; R329-E421 PolarHBondContact NH2-O 2.88Å; E421-W423 PolarHBondContact O-N 2.66Å; E421-E431 HydrophobicContact CB-CG 4.33Å | ||
| 422 | S | 97.9 | Very high | 97.9 | Very high | 41 Ų | 41 | 48.4 Ų | 48.4 | 29% | 0.287 | 24% | 0.243 | S | C | . | . | trans | -65.7 | 128.3 | 175.9 | -64.1 | 0 | 0 | 0 | 0 | 110.4 | N405 | N405-S422 PolarHBondContact ND2-OG 2.97Š| ||
| 423 | W | 98.3 | Very high | 97.9 | Very high | 12 Ų | 12 | 49 Ų | 49 | 5% | 0.045 | 25% | 0.249 | C | C | . | . | trans | -112.9 | 133.5 | -175.2 | -177.7 | 86.3 | 0 | 0 | 0 | 112.9 | E296 H300 R327 L328 R329 E421 D426 D429 | E296-W423 PolarHBondContact O-N 3Å; H300-W423 HydrophobicContact CB-CE3 3.94Å; H300-W423 HydrophobicContact CB-CZ3 3.87Å; R327-W423 HydrophobicContact CB-CH2 3.63Å; R327-W423 HydrophobicContact CB-CZ3 3.76Å; L328-W423 WeakPolarHBondContact O-CH2 3.46Å; R329-W423 HydrophobicContact CB-CD2 3.88Å; R329-W423 HydrophobicContact CB-CE3 3.85Å; R329-W423 HydrophobicContact CB-CG 4.31Å; R329-W423 HydrophobicContact CB-CZ3 4.22Å; R329-W423 HydrophobicContact CG-CB 4.18Å; R329-W423 HydrophobicContact CG-CD2 3.79Å; R329-W423 HydrophobicContact CG-CE3 4.27Å; R329-W423 HydrophobicContact CG-CG 3.73Å; R329-W423 VanDerWaalsContact CZ-CB 3.47Å; E421-W423 PolarHBondContact O-N 2.66Å; W423-D426 PolarHBondContact NE1-O 3.1Å; W423-D429 VanDerWaalsContact CD1-OD2 3.28Å | ||
| 424 | F | 95.6 | Very high | 97.9 | Very high | 89 Ų | 89 | 53.3 Ų | 53.3 | 39% | 0.39 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -126.9 | -38.2 | -175.4 | -58.6 | -83.9 | 0 | 0 | 0 | 114.1 | E296 H300 R327 | E296-F424 HydrophobicContact CG-CD1 4.04Å; E296-F424 HydrophobicContact CG-CE1 3.44Å; E296-F424 VanDerWaalsContact CG-CE1 3.44Å; E296-F424 HydrophobicContact CG-CZ 3.81Å; H300-F424 PolarHBondContact CD2-O 2.77Å; H300-F424 VanDerWaalsContact CD2-O 3.23Å; H300-F424 AromaticContact CE1-CD1 3.8Å; H300-F424 AromaticContact ND1-CD1 3.66Å; R327-F424 WeakPolarHBondContact CD-O 3.34Å; R327-F424 PolarHBondContact NH1-O 2.76Å |
| 425 | M | 95.7 | Very high | 98 | Very high | 109 Ų | 109 | 53.2 Ų | 53.2 | 54% | 0.537 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -164.4 | -5.3 | -177.4 | 71.5 | -168.2 | -56.7 | 0 | 0 | 117.3 | K427 | M425-K427 PolarHBondContact O-N 2.97Š|
| 426 | D | 96.9 | Very high | 98 | Very high | 80 Ų | 80 | 52.9 Ų | 52.9 | 43% | 0.428 | 26% | 0.263 | S | S | . | . | trans | -69.4 | 119.4 | -175.3 | -174.3 | 13.8 | 0 | 0 | 0 | 111.3 | W423 N428 D429 | W423-D426 PolarHBondContact NE1-O 3.1Å; D426-N428 PolarHBondContact O-N 3.29Å; D426-N428 WeakPolarHBondContact OD1-CB 3.2Å; D426-N428 PolarHBondContact OD1-N 2.91Å; D426-N428 PolarHBondContact OD1-ND2 3.16Å; D426-D429 WeakPolarHBondContact O-CB 3.28Å; D426-D429 PolarHBondContact O-N 3.49Å | ||
| 427 | K | 95.8 | Very high | 98 | Very high | 143 Ų | 143 | 56.6 Ų | 56.6 | 62% | 0.622 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -4.6 | -179 | -65.6 | 167.9 | -171.5 | 172.6 | 0 | 112.2 | D308 M425 | D308-K427 WeakPolarHBondContact OD2-CE 3.33Å; D308-K427 IonicContact OD2-NZ 3.55Å; D308-K427 PolarHBondContact OD2-NZ 3.16Å; M425-K427 PolarHBondContact O-N 2.97Å |
| 428 | N | 97.8 | Very high | 98 | Very high | 129 Ų | 129 | 57.7 Ų | 57.7 | 69% | 0.69 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -0.7 | 174.3 | -47.5 | -86.3 | 0 | 0 | 0 | 113.1 | D426 | D426-N428 PolarHBondContact O-N 3.29Å; D426-N428 WeakPolarHBondContact OD1-CB 3.2Å; D426-N428 PolarHBondContact OD1-N 2.91Å; D426-N428 PolarHBondContact OD1-ND2 3.16Å |
| 429 | D | 98.6 | Very high | 98 | Very high | 15 Ų | 15 | 57.7 Ų | 57.7 | 8% | 0.08 | 29% | 0.292 | C | S | . | . | trans | -53.2 | 139.6 | 175.1 | -177.6 | -73.4 | 0 | 0 | 0 | 110.7 | R329 P330 F331 W423 D426 E431 | R329-D429 IonicContact CZ-OD1 3.8Å; R329-D429 IonicContact CZ-OD2 2.73Å; R329-D429 VanDerWaalsContact NE-CG 3.33Å; R329-D429 IonicContact NE-OD1 2.76Å; R329-D429 PolarHBondContact NE-OD1 3.19Å; R329-D429 IonicContact NE-OD2 2.66Å; R329-D429 PolarHBondContact NE-OD2 3.21Å; R329-D429 IonicContact NH2-OD1 3.62Å; R329-D429 IonicContact NH2-OD2 2.58Å; R329-D429 PolarHBondContact NH2-OD2 3Å; P330-D429 WeakPolarHBondContact CB-O 3.47Å; P330-D429 HydrophobicContact CG-CB 4.06Å; F331-D429 WeakPolarHBondContact CE2-O 3.49Å; W423-D429 VanDerWaalsContact CD1-OD2 3.28Å; D426-D429 WeakPolarHBondContact O-CB 3.28Å; D426-D429 PolarHBondContact O-N 3.49Å; D429-E431 PolarHBondContact OD1-N 2.68Å; D429-E431 VanDerWaalsContact OD1-N 3.08Å | ||
| 430 | N | 98.4 | Very high | 98 | Very high | 61 Ų | 61 | 58.6 Ų | 58.6 | 33% | 0.326 | 29% | 0.293 | S | S | . | . | trans | -145.7 | 25.6 | 175.3 | 56.5 | 21.4 | 0 | 0 | 0 | 112.3 | F331 L432 L433 K434 | F331-N430 HydrophobicContact CD2-CB 4.48Å; F331-N430 HydrophobicContact CE2-CB 4.23Å; N430-L432 VanDerWaalsContact C-N 3.35Å; N430-L432 PolarHBondContact O-N 2.86Å; N430-L433 HydrophobicContact CB-CB 4.47Å; N430-L433 HydrophobicContact CB-CD1 4.45Å; N430-L433 WeakPolarHBondContact O-CB 3.12Å; N430-L433 PolarHBondContact O-N 2.96Å; N430-L433 VanDerWaalsContact O-N 3.15Å; N430-K434 WeakPolarHBondContact O-CG 3.34Å; N430-K434 PolarHBondContact O-N 3.49Å; N430-K434 WeakPolarHBondContact OD1-CD 3.38Å; N430-K434 WeakPolarHBondContact OD1-CE 3.47Å; N430-K434 PolarHBondContact OD1-NZ 3.37Å | ||
| 431 | E | 98.6 | Very high | 98 | Very high | 36 Ų | 36 | 62 Ų | 62 | 17% | 0.168 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.1 | -40.6 | -178.6 | -66.6 | -48.1 | 127.8 | 0 | 0 | 111.9 | I420 E421 D429 L433 K434 L435 | I420-E431 HydrophobicContact CD1-CB 3.88Å; I420-E431 HydrophobicContact CG1-CB 3.77Å; I420-E431 HydrophobicContact CG1-CG 4.46Å; E421-E431 HydrophobicContact CB-CG 4.33Å; D429-E431 PolarHBondContact OD1-N 2.68Å; D429-E431 VanDerWaalsContact OD1-N 3.08Å; E431-L433 VanDerWaalsContact C-N 3.27Å; E431-L433 PolarHBondContact O-N 2.86Å; E431-K434 WeakPolarHBondContact O-CB 3.05Å; E431-K434 PolarHBondContact O-N 2.92Å; E431-K434 VanDerWaalsContact O-N 3.11Å; E431-K434 VanDerWaalsContact OE1-CD 3.31Å; E431-K434 WeakPolarHBondContact OE1-CD 3.48Å; E431-K434 IonicContact OE1-NZ 2.88Å; E431-K434 PolarHBondContact OE1-NZ 3.08Å; E431-K434 VanDerWaalsContact OE2-CD 3.28Å; E431-K434 WeakPolarHBondContact OE2-CD 3.42Å; E431-L435 WeakPolarHBondContact O-CG 3.3Å; E431-L435 PolarHBondContact O-N 3.14Å; E431-L435 VanDerWaalsContact O-N 3.12Å |
| 432 | L | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59 | -39.5 | 174.4 | -64.5 | -179.6 | 0 | 0 | 0 | 111.7 | L298 R329 F332 F335 I420 N430 L435 I436 | L298-L432 HydrophobicContact CD2-CD1 3.93Å; L298-L432 HydrophobicContact CD2-CD2 4.05Å; R329-L432 HydrophobicContact CB-CD1 4.34Å; R329-L432 HydrophobicContact CG-CD1 4.13Å; F332-L432 HydrophobicContact CB-CD1 3.82Å; F335-L432 HydrophobicContact CB-CB 4.08Å; F335-L432 HydrophobicContact CB-CD1 4.48Å; F335-L432 HydrophobicContact CD1-CD2 4.27Å; F335-L432 HydrophobicContact CD2-CB 4Å; F335-L432 HydrophobicContact CD2-CD2 4.49Å; F335-L432 WeakPolarHBondContact CD2-O 3.45Å; F335-L432 HydrophobicContact CE1-CD2 4.35Å; F335-L432 HydrophobicContact CG-CB 4.04Å; F335-L432 HydrophobicContact CG-CD2 4.34Å; I420-L432 HydrophobicContact CD1-CD2 3.57Å; I420-L432 HydrophobicContact CD1-CG 4.28Å; N430-L432 VanDerWaalsContact C-N 3.35Å; N430-L432 PolarHBondContact O-N 2.86Å; L432-L435 PolarHBondContact O-N 2.91Å; L432-I436 WeakPolarHBondContact O-CG1 3.38Å |
| 433 | L | 98.5 | Very high | 98.1 | Very high | 65 Ų | 65 | 55.5 Ų | 55.5 | 34% | 0.34 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.4 | -39.5 | 174.4 | -65.7 | -175.5 | 0 | 0 | 0 | 112.6 | F331 N430 E431 L435 I436 P437 | F331-L433 HydrophobicContact CB-CD1 4.23Å; F331-L433 HydrophobicContact CB-CD2 3.72Å; F331-L433 HydrophobicContact CB-CG 3.72Å; F331-L433 HydrophobicContact CD1-CD1 3.79Å; F331-L433 HydrophobicContact CD1-CD2 4.34Å; F331-L433 HydrophobicContact CD1-CG 4.24Å; F331-L433 HydrophobicContact CD2-CD1 3.52Å; F331-L433 HydrophobicContact CD2-CG 3.71Å; F331-L433 HydrophobicContact CE1-CD1 3.98Å; F331-L433 HydrophobicContact CE2-CD1 3.73Å; F331-L433 HydrophobicContact CE2-CG 4.41Å; F331-L433 HydrophobicContact CG-CD1 3.54Å; F331-L433 HydrophobicContact CG-CD2 3.95Å; F331-L433 HydrophobicContact CG-CG 3.6Å; F331-L433 HydrophobicContact CZ-CD1 3.95Å; N430-L433 HydrophobicContact CB-CB 4.47Å; N430-L433 HydrophobicContact CB-CD1 4.45Å; N430-L433 WeakPolarHBondContact O-CB 3.12Å; N430-L433 PolarHBondContact O-N 2.96Å; N430-L433 VanDerWaalsContact O-N 3.15Å; E431-L433 VanDerWaalsContact C-N 3.27Å; E431-L433 PolarHBondContact O-N 2.86Å; L433-L435 PolarHBondContact O-N 2.9Å; L433-I436 HydrophobicContact CD2-CD1 3.84Å; L433-I436 PolarHBondContact O-N 2.76Å; L433-P437 WeakPolarHBondContact O-CD 3.4Å |
| 434 | K | 98.5 | Very high | 98.1 | Very high | 106 Ų | 106 | 61.4 Ų | 61.4 | 46% | 0.461 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61 | -26.8 | 177.1 | -75.7 | 158.8 | 164.9 | 157.8 | 0 | 112.9 | N430 E431 | N430-K434 WeakPolarHBondContact O-CG 3.34Å; N430-K434 PolarHBondContact O-N 3.49Å; N430-K434 WeakPolarHBondContact OD1-CD 3.38Å; N430-K434 WeakPolarHBondContact OD1-CE 3.47Å; N430-K434 PolarHBondContact OD1-NZ 3.37Å; E431-K434 WeakPolarHBondContact O-CB 3.05Å; E431-K434 PolarHBondContact O-N 2.92Å; E431-K434 VanDerWaalsContact O-N 3.11Å; E431-K434 VanDerWaalsContact OE1-CD 3.31Å; E431-K434 WeakPolarHBondContact OE1-CD 3.48Å; E431-K434 IonicContact OE1-NZ 2.88Å; E431-K434 PolarHBondContact OE1-NZ 3.08Å; E431-K434 VanDerWaalsContact OE2-CD 3.28Å; E431-K434 WeakPolarHBondContact OE2-CD 3.42Å |
| 435 | L | 98.7 | Very high | 98.2 | Very high | 9 Ų | 9 | 60.4 Ų | 60.4 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -80.7 | -28.7 | 176.9 | -65.8 | -177.7 | 0 | 0 | 0 | 114 | F335 I403 I418 I420 E431 L432 L433 F438 L439 F457 | F335-L435 HydrophobicContact CE2-CB 4.34Å; I403-L435 HydrophobicContact CD1-CD1 3.91Å; I403-L435 HydrophobicContact CG1-CD1 4.36Å; I403-L435 HydrophobicContact CG2-CD1 3.94Å; I418-L435 HydrophobicContact CG2-CD1 4.04Å; I418-L435 HydrophobicContact CG2-CD2 3.77Å; I420-L435 HydrophobicContact CD1-CD1 4Å; I420-L435 HydrophobicContact CG1-CD1 4.46Å; E431-L435 WeakPolarHBondContact O-CG 3.3Å; E431-L435 PolarHBondContact O-N 3.14Å; E431-L435 VanDerWaalsContact O-N 3.12Å; L432-L435 PolarHBondContact O-N 2.91Å; L433-L435 PolarHBondContact O-N 2.9Å; L435-F438 PolarHBondContact O-N 3.21Å; L435-F438 VanDerWaalsContact O-N 3.08Å; L435-L439 HydrophobicContact CB-CD1 4.12Å; L435-L439 WeakPolarHBondContact O-CG 3.36Å; L435-L439 PolarHBondContact O-N 3.45Å; L435-L439 VanDerWaalsContact O-N 3.11Å; L435-F457 HydrophobicContact CD2-CZ 4.28Å |
| 436 | I | 98.8 | Very high | 98.2 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -51.5 | -52 | -174.6 | -65.4 | 176.3 | 0 | 0 | 0 | 112.9 | F335 R338 M339 L432 L433 F438 L439 E440 | F335-I436 HydrophobicContact CD2-CD1 4.21Å; F335-I436 HydrophobicContact CD2-CG1 3.7Å; F335-I436 HydrophobicContact CE2-CG1 4.2Å; R338-I436 HydrophobicContact CG-CG2 4.13Å; M339-I436 HydrophobicContact CE-CB 4.36Å; M339-I436 HydrophobicContact CE-CG1 4.23Å; M339-I436 HydrophobicContact CE-CG2 3.96Å; L432-I436 WeakPolarHBondContact O-CG1 3.38Å; L433-I436 HydrophobicContact CD2-CD1 3.84Å; L433-I436 PolarHBondContact O-N 2.76Å; I436-F438 PolarHBondContact O-N 2.76Å; I436-L439 PolarHBondContact O-N 2.95Å; I436-E440 HydrophobicContact CG2-CG 4.17Å; I436-E440 WeakPolarHBondContact O-CB 3.48Å; I436-E440 WeakPolarHBondContact O-CG 3.38Å; I436-E440 PolarHBondContact O-N 3.41Å |
| 437 | P | 98.7 | Very high | 98.3 | Very high | 83 Ų | 83 | 60.8 Ų | 60.8 | 54% | 0.539 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.6 | -22.6 | -176.3 | -21.2 | 34.3 | 0 | 0 | 0 | 113.8 | L433 K441 | L433-P437 WeakPolarHBondContact O-CD 3.4Å; P437-K441 WeakPolarHBondContact O-CB 3.28Å; P437-K441 PolarHBondContact O-N 3.33Å |
| 438 | F | 98.8 | Very high | 98.4 | Very high | 23 Ų | 23 | 56.3 Ų | 56.3 | 10% | 0.101 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -79.4 | -44.6 | 176.4 | -178.7 | -120 | 0 | 0 | 0 | 111.5 | I418 L435 I436 K441 L442 H452 I453 R456 F457 | I418-F438 HydrophobicContact CD1-CD1 4.01Å; I418-F438 HydrophobicContact CD1-CE1 3.87Å; L435-F438 PolarHBondContact O-N 3.21Å; L435-F438 VanDerWaalsContact O-N 3.08Å; I436-F438 PolarHBondContact O-N 2.76Å; F438-K441 PolarHBondContact O-N 3.32Å; F438-K441 VanDerWaalsContact O-N 3.13Å; F438-L442 HydrophobicContact CD1-CD1 4.16Å; F438-L442 HydrophobicContact CE1-CD1 3.66Å; F438-L442 HydrophobicContact CE1-CG 4.26Å; F438-L442 HydrophobicContact CE2-CD1 4.5Å; F438-L442 HydrophobicContact CE2-CD2 4.22Å; F438-L442 HydrophobicContact CE2-CG 4.24Å; F438-L442 HydrophobicContact CZ-CD1 3.86Å; F438-L442 HydrophobicContact CZ-CD2 4.03Å; F438-L442 HydrophobicContact CZ-CG 4.05Å; F438-L442 WeakPolarHBondContact O-CG 3.24Å; F438-L442 PolarHBondContact O-N 2.81Å; F438-H452 HydrophobicContact CZ-CB 4.48Å; F438-I453 HydrophobicContact CE1-CG1 4.12Å; F438-I453 HydrophobicContact CZ-CG1 4.26Å; F438-R456 VanDerWaalsContact CE2-CD 3.47Å; F438-R456 HydrophobicContact CZ-CB 4.31Å; F438-F457 HydrophobicContact CD1-CE2 4.14Å; F438-F457 HydrophobicContact CD1-CZ 4.47Å; F438-F457 AromaticContact CE1-CE2 3.71Å; F438-F457 HydrophobicContact CE1-CE2 3.71Å; F438-F457 HydrophobicContact CE1-CZ 4.46Å; F438-F457 HydrophobicContact CZ-CE2 4.41Å |
| 439 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 176.4 | -63.8 | 168.6 | 0 | 0 | 0 | 110.5 | L290 F335 M339 Y343 I401 I403 I418 L435 I436 K441 L442 V443 | L290-L439 HydrophobicContact CD1-CD2 4.13Å; L290-L439 HydrophobicContact CD2-CD1 4.34Å; F335-L439 HydrophobicContact CE2-CD1 3.73Å; F335-L439 HydrophobicContact CZ-CD1 3.81Å; M339-L439 HydrophobicContact CE-CB 4.21Å; M339-L439 HydrophobicContact CE-CD1 4.49Å; M339-L439 HydrophobicContact CG-CD1 4.39Å; M339-L439 HydrophobicContact SD-CB 3.68Å; M339-L439 HydrophobicContact SD-CD1 3.52Å; M339-L439 VanDerWaalsContact SD-CD1 3.52Å; M339-L439 HydrophobicContact SD-CG 4.22Å; Y343-L439 HydrophobicContact CE2-CB 3.93Å; Y343-L439 WeakPolarHBondContact OH-CA 3.18Å; Y343-L439 PolarHBondContact OH-O 2.83Å; I401-L439 HydrophobicContact CD1-CD2 3.86Å; I401-L439 HydrophobicContact CG2-CD2 4.35Å; I403-L439 HydrophobicContact CD1-CD1 3.88Å; I403-L439 HydrophobicContact CD1-CD2 4.37Å; I418-L439 HydrophobicContact CD1-CD2 3.92Å; L435-L439 HydrophobicContact CB-CD1 4.12Å; L435-L439 WeakPolarHBondContact O-CG 3.36Å; L435-L439 PolarHBondContact O-N 3.45Å; L435-L439 VanDerWaalsContact O-N 3.11Å; I436-L439 PolarHBondContact O-N 2.95Å; L439-K441 VanDerWaalsContact C-N 3.3Å; L439-K441 PolarHBondContact O-N 2.68Å; L439-L442 PolarHBondContact O-N 3.34Å; L439-V443 PolarHBondContact O-N 3.35Å |
| 440 | E | 98.8 | Very high | 98.5 | Very high | 58 Ų | 58 | 53.6 Ų | 53.6 | 27% | 0.271 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -53.8 | -45.1 | 170.5 | -73.9 | 176.7 | 159.1 | 0 | 0 | 112.3 | R338 M339 M342 I436 L442 V443 E444 | R338-E440 IonicContact CZ-OE1 3.64Å; R338-E440 IonicContact NE-OE1 2.68Å; R338-E440 PolarHBondContact NE-OE1 2.9Å; R338-E440 IonicContact NH2-OE1 2.76Å; R338-E440 PolarHBondContact NH2-OE1 3.25Å; M339-E440 HydrophobicContact CE-CG 4.45Å; M342-E440 HydrophobicContact CE-CG 3.74Å; M342-E440 HydrophobicContact SD-CG 4.11Å; I436-E440 HydrophobicContact CG2-CG 4.17Å; I436-E440 WeakPolarHBondContact O-CB 3.48Å; I436-E440 WeakPolarHBondContact O-CG 3.38Å; I436-E440 PolarHBondContact O-N 3.41Å; E440-L442 PolarHBondContact O-N 2.68Å; E440-V443 PolarHBondContact O-N 3.44Å; E440-E444 WeakPolarHBondContact O-CB 3.09Å; E440-E444 PolarHBondContact O-N 2.9Å |
| 441 | K | 98.7 | Very high | 98.5 | Very high | 85 Ų | 85 | 53.7 Ų | 53.7 | 37% | 0.37 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.8 | -34.9 | -179.8 | -170.6 | 52.4 | 171.7 | 176.5 | 0 | 113.4 | P437 F438 L439 V443 E444 L445 | P437-K441 WeakPolarHBondContact O-CB 3.28Å; P437-K441 PolarHBondContact O-N 3.33Å; F438-K441 PolarHBondContact O-N 3.32Å; F438-K441 VanDerWaalsContact O-N 3.13Å; L439-K441 VanDerWaalsContact C-N 3.3Å; L439-K441 PolarHBondContact O-N 2.68Å; K441-V443 VanDerWaalsContact C-N 3.33Å; K441-E444 HydrophobicContact CD-CB 4.3Å; K441-E444 WeakPolarHBondContact CD-OE2 3.4Å; K441-E444 WeakPolarHBondContact CE-OE2 3.44Å; K441-E444 IonicContact NZ-OE1 3.67Å; K441-E444 PolarHBondContact NZ-OE1 2.94Å; K441-E444 IonicContact NZ-OE2 3.91Å; K441-E444 PolarHBondContact NZ-OE2 3.05Å; K441-E444 PolarHBondContact O-N 3.39Å; K441-L445 HydrophobicContact CD-CG 4.27Å; K441-L445 HydrophobicContact CG-CD1 4.18Å; K441-L445 HydrophobicContact CG-CG 4.39Å; K441-L445 VanDerWaalsContact O-CG 3.28Å; K441-L445 WeakPolarHBondContact O-CG 3.49Å; K441-L445 PolarHBondContact O-N 3.34Å |
| 442 | L | 98.6 | Very high | 98.5 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 175.2 | -71.9 | 177.8 | 0 | 0 | 0 | 112.1 | I401 F438 L439 E440 N446 V449 H452 I453 | I401-L442 HydrophobicContact CD1-CD1 3.48Å; I401-L442 VanDerWaalsContact CD1-CD1 3.48Å; F438-L442 HydrophobicContact CD1-CD1 4.16Å; F438-L442 HydrophobicContact CE1-CD1 3.66Å; F438-L442 HydrophobicContact CE1-CG 4.26Å; F438-L442 HydrophobicContact CE2-CD1 4.5Å; F438-L442 HydrophobicContact CE2-CD2 4.22Å; F438-L442 HydrophobicContact CE2-CG 4.24Å; F438-L442 HydrophobicContact CZ-CD1 3.86Å; F438-L442 HydrophobicContact CZ-CD2 4.03Å; F438-L442 HydrophobicContact CZ-CG 4.05Å; F438-L442 WeakPolarHBondContact O-CG 3.24Å; F438-L442 PolarHBondContact O-N 2.81Å; L439-L442 PolarHBondContact O-N 3.34Å; E440-L442 PolarHBondContact O-N 2.68Å; L442-N446 PolarHBondContact O-N 3.23Å; L442-V449 HydrophobicContact CB-CG1 4.38Å; L442-V449 HydrophobicContact CD1-CB 4.42Å; L442-V449 HydrophobicContact CD1-CG1 4.37Å; L442-V449 HydrophobicContact CD2-CB 4.44Å; L442-V449 HydrophobicContact CD2-CG1 4.46Å; L442-H452 HydrophobicContact CD2-CB 3.58Å; L442-I453 HydrophobicContact CD1-CD1 4.34Å; L442-I453 HydrophobicContact CD1-CG1 4.19Å |
| 443 | V | 98.3 | Very high | 98.5 | Very high | 37 Ų | 37 | 54.6 Ų | 54.6 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.8 | -40 | 174.4 | -179 | 0 | 0 | 0 | 0 | 111.4 | F288 M342 Y343 L439 E440 K441 N446 | F288-V443 HydrophobicContact CD2-CB 4.4Å; F288-V443 HydrophobicContact CD2-CG1 4.14Å; F288-V443 HydrophobicContact CD2-CG2 4.01Å; F288-V443 HydrophobicContact CE2-CB 4.34Å; F288-V443 HydrophobicContact CE2-CG1 4.18Å; F288-V443 HydrophobicContact CE2-CG2 4.36Å; F288-V443 HydrophobicContact CG-CG2 4.16Å; M342-V443 HydrophobicContact CB-CG2 4.42Å; Y343-V443 HydrophobicContact CD2-CG2 4.4Å; Y343-V443 HydrophobicContact CE1-CG2 4.03Å; Y343-V443 HydrophobicContact CE2-CG2 3.68Å; Y343-V443 VanDerWaalsContact CZ-CG2 3.48Å; L439-V443 PolarHBondContact O-N 3.35Å; E440-V443 PolarHBondContact O-N 3.44Å; K441-V443 VanDerWaalsContact C-N 3.33Å; V443-N446 PolarHBondContact O-N 3.49Å |
| 444 | E | 98.3 | Very high | 98.5 | Very high | 135 Ų | 135 | 57 Ų | 57 | 63% | 0.631 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64 | -40.7 | 178.9 | -166.3 | -148.2 | 137.3 | 0 | 0 | 112.9 | E440 K441 N446 | E440-E444 WeakPolarHBondContact O-CB 3.09Å; E440-E444 PolarHBondContact O-N 2.9Å; K441-E444 HydrophobicContact CD-CB 4.3Å; K441-E444 WeakPolarHBondContact CD-OE2 3.4Å; K441-E444 WeakPolarHBondContact CE-OE2 3.44Å; K441-E444 IonicContact NZ-OE1 3.67Å; K441-E444 PolarHBondContact NZ-OE1 2.94Å; K441-E444 IonicContact NZ-OE2 3.91Å; K441-E444 PolarHBondContact NZ-OE2 3.05Å; K441-E444 PolarHBondContact O-N 3.39Å; E444-N446 VanDerWaalsContact C-N 3.29Å; E444-N446 PolarHBondContact O-N 2.94Å |
| 445 | L | 97.8 | Very high | 98.5 | Very high | 68 Ų | 68 | 57.5 Ų | 57.5 | 36% | 0.356 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.3 | -35.3 | 175.6 | -72.2 | 166.8 | 0 | 0 | 0 | 111.9 | K441 E447 | K441-L445 HydrophobicContact CD-CG 4.27Å; K441-L445 HydrophobicContact CG-CD1 4.18Å; K441-L445 HydrophobicContact CG-CG 4.39Å; K441-L445 VanDerWaalsContact O-CG 3.28Å; K441-L445 WeakPolarHBondContact O-CG 3.49Å; K441-L445 PolarHBondContact O-N 3.34Å; L445-E447 PolarHBondContact O-N 3.46Å |
| 446 | N | 97 | Very high | 98.4 | Very high | 77 Ų | 77 | 63 Ų | 63 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | trans | 52.2 | 29 | -174 | -155.6 | 16.8 | 0 | 0 | 0 | 116.2 | F288 K399 L442 V443 E444 | F288-N446 VanDerWaalsContact CE2-OD1 3.28Å; F288-N446 WeakPolarHBondContact CE2-OD1 3.09Å; F288-N446 WeakPolarHBondContact CZ-OD1 3.42Å; K399-N446 PolarHBondContact NZ-O 2.93Å; K399-N446 PolarHBondContact NZ-OD1 3.47Å; L442-N446 PolarHBondContact O-N 3.23Å; V443-N446 PolarHBondContact O-N 3.49Å; E444-N446 VanDerWaalsContact C-N 3.29Å; E444-N446 PolarHBondContact O-N 2.94Å | ||
| 447 | E | 97.6 | Very high | 98.4 | Very high | 121 Ų | 121 | 64.2 Ų | 64.2 | 57% | 0.565 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -96.9 | -159.9 | 175.7 | -68.3 | -176.3 | 176.6 | 0 | 0 | 111.4 | K399 L445 H452 | K399-E447 PolarHBondContact NZ-O 2.73Å; L445-E447 PolarHBondContact O-N 3.46Å; E447-H452 IonicContact OE2-NE2 2.64Å |
| 448 | D | 98.8 | Very high | 98.3 | Very high | 48 Ų | 48 | 67.4 Ų | 67.4 | 26% | 0.257 | 31% | 0.31 | S | S | . | . | trans | -78.2 | 125.8 | 171.1 | -174 | -25.4 | 0 | 0 | 0 | 109.3 | S398 R450 P451 H452 | S398-D448 WeakPolarHBondContact CA-OD1 3.35Å; S398-D448 WeakPolarHBondContact O-CA 3.29Å; D448-R450 PolarHBondContact O-N 2.98Å; D448-R450 VanDerWaalsContact OD1-CB 3.29Å; D448-R450 WeakPolarHBondContact OD1-CB 3.35Å; D448-R450 WeakPolarHBondContact OD1-CG 3.17Å; D448-R450 IonicContact OD1-CZ 2.77Å; D448-R450 PolarHBondContact OD1-N 3.22Å; D448-R450 IonicContact OD1-NE 3.35Å; D448-R450 PolarHBondContact OD1-NE 3.27Å; D448-R450 IonicContact OD1-NH2 2.68Å; D448-R450 IonicContact OD2-CZ 3.98Å; D448-R450 IonicContact OD2-NE 3.97Å; D448-R450 PolarHBondContact OD2-NE 3.12Å; D448-R450 IonicContact OD2-NH2 3.14Å; D448-R450 PolarHBondContact OD2-NH2 2.94Å; D448-P451 WeakPolarHBondContact O-CD 3.41Å; D448-H452 PolarHBondContact O-CD2 3.34Å; D448-H452 VanDerWaalsContact O-CD2 3.28Å | ||
| 449 | V | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.7 | -23.9 | -178.5 | -59.1 | 0 | 0 | 0 | 0 | 113.6 | F288 S398 T400 I401 L442 H452 I453 | F288-V449 HydrophobicContact CD1-CG1 4.05Å; F288-V449 HydrophobicContact CE1-CG1 3.65Å; S398-V449 PolarHBondContact O-N 3.23Å; T400-V449 WeakPolarHBondContact O-CG2 3.26Å; I401-V449 HydrophobicContact CD1-CG1 4.15Å; I401-V449 HydrophobicContact CG1-CB 4.24Å; I401-V449 HydrophobicContact CG1-CG1 4.08Å; I401-V449 HydrophobicContact CG1-CG2 4.09Å; L442-V449 HydrophobicContact CB-CG1 4.38Å; L442-V449 HydrophobicContact CD1-CB 4.42Å; L442-V449 HydrophobicContact CD1-CG1 4.37Å; L442-V449 HydrophobicContact CD2-CB 4.44Å; L442-V449 HydrophobicContact CD2-CG1 4.46Å; V449-H452 PolarHBondContact O-N 2.86Å; V449-I453 HydrophobicContact CB-CD1 3.91Å; V449-I453 HydrophobicContact CG2-CD1 3.94Å; V449-I453 WeakPolarHBondContact O-CG1 3.45Å; V449-I453 PolarHBondContact O-N 2.92Å |
| 450 | R | 98.8 | Very high | 98.1 | Very high | 86 Ų | 86 | 69.1 Ų | 69.1 | 33% | 0.325 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.9 | -40.9 | -163 | -63.5 | 172.8 | -66.4 | -180 | 1.6 | 114.6 | L397 S415 N416 D448 R454 | L397-R450 WeakPolarHBondContact O-CD 3.39Å; S415-R450 WeakPolarHBondContact O-CA 3.13Å; N416-R450 WeakPolarHBondContact ND2-CG 3.12Å; N416-R450 VanDerWaalsContact OD1-CD 3.29Å; N416-R450 WeakPolarHBondContact OD1-CD 3.41Å; D448-R450 PolarHBondContact O-N 2.98Å; D448-R450 VanDerWaalsContact OD1-CB 3.29Å; D448-R450 WeakPolarHBondContact OD1-CB 3.35Å; D448-R450 WeakPolarHBondContact OD1-CG 3.17Å; D448-R450 IonicContact OD1-CZ 2.77Å; D448-R450 PolarHBondContact OD1-N 3.22Å; D448-R450 IonicContact OD1-NE 3.35Å; D448-R450 PolarHBondContact OD1-NE 3.27Å; D448-R450 IonicContact OD1-NH2 2.68Å; D448-R450 IonicContact OD2-CZ 3.98Å; D448-R450 IonicContact OD2-NE 3.97Å; D448-R450 PolarHBondContact OD2-NE 3.12Å; D448-R450 IonicContact OD2-NH2 3.14Å; D448-R450 PolarHBondContact OD2-NH2 2.94Å; R450-R454 VanDerWaalsContact O-CB 3.26Å; R450-R454 WeakPolarHBondContact O-CB 3.34Å; R450-R454 PolarHBondContact O-N 2.98Å |
| 451 | P | 98.7 | Very high | 98 | Very high | 64 Ų | 64 | 70.5 Ų | 70.5 | 42% | 0.416 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 171.4 | -22.8 | 35 | 0 | 0 | 0 | 111.5 | D448 I453 R454 D455 | D448-P451 WeakPolarHBondContact O-CD 3.41Å; P451-I453 VanDerWaalsContact C-N 3.34Å; P451-I453 PolarHBondContact O-N 3.41Å; P451-R454 PolarHBondContact O-N 2.81Å; P451-D455 WeakPolarHBondContact O-CB 3.47Å; P451-D455 PolarHBondContact O-N 3.01Å |
| 452 | H | 98.6 | Very high | 97.8 | Very high | 53 Ų | 53 | 70.9 Ų | 70.9 | 25% | 0.245 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63 | -37.1 | -177.6 | -53.8 | -49.1 | 0 | 0 | 0 | 113.4 | F438 L442 E447 D448 V449 R456 | F438-H452 HydrophobicContact CZ-CB 4.48Å; L442-H452 HydrophobicContact CD2-CB 3.58Å; E447-H452 IonicContact OE2-NE2 2.64Å; D448-H452 PolarHBondContact O-CD2 3.34Å; D448-H452 VanDerWaalsContact O-CD2 3.28Å; V449-H452 PolarHBondContact O-N 2.86Å; H452-R456 VanDerWaalsContact O-CB 3.23Å; H452-R456 WeakPolarHBondContact O-CB 3.49Å; H452-R456 PolarHBondContact O-N 2.94Å |
| 453 | I | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.5 | -47.9 | 174 | -70.4 | 170.2 | 0 | 0 | 0 | 110.2 | I401 S415 G417 I418 F438 L442 V449 P451 D455 R456 F457 | I401-I453 HydrophobicContact CB-CD1 4.48Å; I401-I453 HydrophobicContact CG1-CD1 4.04Å; I401-I453 HydrophobicContact CG2-CD1 4.01Å; S415-I453 WeakPolarHBondContact O-CB 3.2Å; S415-I453 WeakPolarHBondContact O-CG2 3.31Å; G417-I453 WeakPolarHBondContact O-CG2 3.34Å; I418-I453 HydrophobicContact CD1-CD1 4.49Å; I418-I453 HydrophobicContact CD1-CG1 4.47Å; I418-I453 HydrophobicContact CG1-CD1 4.33Å; I418-I453 HydrophobicContact CG1-CG1 4.28Å; I418-I453 HydrophobicContact CG1-CG2 4.26Å; F438-I453 HydrophobicContact CE1-CG1 4.12Å; F438-I453 HydrophobicContact CZ-CG1 4.26Å; L442-I453 HydrophobicContact CD1-CD1 4.34Å; L442-I453 HydrophobicContact CD1-CG1 4.19Å; V449-I453 HydrophobicContact CB-CD1 3.91Å; V449-I453 HydrophobicContact CG2-CD1 3.94Å; V449-I453 WeakPolarHBondContact O-CG1 3.45Å; V449-I453 PolarHBondContact O-N 2.92Å; P451-I453 VanDerWaalsContact C-N 3.34Å; P451-I453 PolarHBondContact O-N 3.41Å; I453-D455 PolarHBondContact O-N 3.11Å; I453-R456 PolarHBondContact O-N 2.84Å; I453-F457 HydrophobicContact CG2-CD2 4.21Å; I453-F457 WeakPolarHBondContact O-CD2 3.5Å; I453-F457 PolarHBondContact O-N 3.08Å |
| 454 | R | 98.2 | Very high | 97.4 | Very high | 115 Ų | 115 | 72.9 Ų | 72.9 | 43% | 0.434 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.7 | -48.8 | 177.6 | 179.1 | 175.8 | -176.7 | 163.6 | 7.1 | 112 | R450 P451 R456 R458 | R450-R454 VanDerWaalsContact O-CB 3.26Å; R450-R454 WeakPolarHBondContact O-CB 3.34Å; R450-R454 PolarHBondContact O-N 2.98Å; P451-R454 PolarHBondContact O-N 2.81Å; R454-R456 VanDerWaalsContact C-N 3.33Å; R454-R456 PolarHBondContact O-N 3.04Å; R454-R458 VanDerWaalsContact O-CA 3.23Å; R454-R458 WeakPolarHBondContact O-CA 3.49Å; R454-R458 PolarHBondContact O-N 2.94Å |
| 455 | D | 98.1 | Very high | 96.9 | Very high | 117 Ų | 117 | 72.1 Ų | 72.1 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69.7 | -31.5 | -176.1 | -64.7 | -15.4 | 0 | 0 | 0 | 112.2 | P451 I453 R458 | P451-D455 WeakPolarHBondContact O-CB 3.47Å; P451-D455 PolarHBondContact O-N 3.01Å; I453-D455 PolarHBondContact O-N 3.11Å; D455-R458 WeakPolarHBondContact O-CG 3.34Å |
| 456 | R | 98.3 | Very high | 95.9 | Very high | 125 Ų | 125 | 79.1 Ų | 79.1 | 47% | 0.472 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -77.1 | -45.1 | 178.5 | 179 | 175 | 171.2 | 126.3 | -5.8 | 113.3 | F438 H452 I453 R454 | F438-R456 VanDerWaalsContact CE2-CD 3.47Å; F438-R456 HydrophobicContact CZ-CB 4.31Å; H452-R456 VanDerWaalsContact O-CB 3.23Å; H452-R456 WeakPolarHBondContact O-CB 3.49Å; H452-R456 PolarHBondContact O-N 2.94Å; I453-R456 PolarHBondContact O-N 2.84Å; R454-R456 VanDerWaalsContact C-N 3.33Å; R454-R456 PolarHBondContact O-N 3.04Å |
| 457 | F | 97.8 | Very high | 95.8 | Very high | 48 Ų | 48 | 79.3 Ų | 79.3 | 21% | 0.211 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -104 | -17.7 | -170.9 | -64.8 | -76.3 | 0 | 0 | 0 | 114.1 | I418 P419 L435 F438 I453 L459 | I418-F457 HydrophobicContact CB-CE2 4.25Å; I418-F457 HydrophobicContact CB-CZ 4.45Å; I418-F457 HydrophobicContact CD1-CE2 4.15Å; I418-F457 HydrophobicContact CG1-CD2 4.26Å; I418-F457 HydrophobicContact CG1-CE2 3.74Å; I418-F457 HydrophobicContact CG1-CZ 4.34Å; I418-F457 HydrophobicContact CG2-CE1 4.22Å; I418-F457 HydrophobicContact CG2-CE2 3.96Å; I418-F457 HydrophobicContact CG2-CZ 3.67Å; P419-F457 HydrophobicContact CG-CB 4.36Å; P419-F457 HydrophobicContact CG-CD1 3.77Å; P419-F457 HydrophobicContact CG-CE1 4.4Å; P419-F457 HydrophobicContact CG-CG 4.25Å; L435-F457 HydrophobicContact CD2-CZ 4.28Å; F438-F457 HydrophobicContact CD1-CE2 4.14Å; F438-F457 HydrophobicContact CD1-CZ 4.47Å; F438-F457 AromaticContact CE1-CE2 3.71Å; F438-F457 HydrophobicContact CE1-CE2 3.71Å; F438-F457 HydrophobicContact CE1-CZ 4.46Å; F438-F457 HydrophobicContact CZ-CE2 4.41Å; I453-F457 HydrophobicContact CG2-CD2 4.21Å; I453-F457 WeakPolarHBondContact O-CD2 3.5Å; I453-F457 PolarHBondContact O-N 3.08Å; F457-L459 HydrophobicContact CB-CG 4.33Å; F457-L459 PolarHBondContact O-N 2.9Å |
| 458 | R | 97.5 | Very high | 95.7 | Very high | 150 Ų | 150 | 77.1 Ų | 77.1 | 57% | 0.566 | 38% | 0.379 | S | S | * | . | trans | 51.8 | 27.6 | 169.4 | -61.1 | -176.3 | 61 | -169.2 | -4.7 | 115.7 | R454 D455 H460 D461 | R454-R458 VanDerWaalsContact O-CA 3.23Å; R454-R458 WeakPolarHBondContact O-CA 3.49Å; R454-R458 PolarHBondContact O-N 2.94Å; D455-R458 WeakPolarHBondContact O-CG 3.34Å; R458-H460 PolarHBondContact O-N 3.27Å; R458-H460 VanDerWaalsContact O-N 3.11Å; R458-D461 HydrophobicContact CB-CB 4.48Å; R458-D461 IonicContact CZ-OD2 3.54Å; R458-D461 IonicContact NE-OD2 3.46Å; R458-D461 PolarHBondContact NE-OD2 3.13Å; R458-D461 IonicContact NH2-OD2 3.2Å; R458-D461 PolarHBondContact NH2-OD2 3.3Å; R458-D461 VanDerWaalsContact O-CB 3.31Å; R458-D461 WeakPolarHBondContact O-CB 3.46Å; R458-D461 PolarHBondContact O-N 2.77Å | ||
| 459 | L | 96.7 | Very high | 95.6 | Very high | 8 Ų | 8 | 78.7 Ų | 78.7 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -58.3 | -27.7 | -177.6 | -64.1 | -178.7 | 0 | 0 | 0 | 114.1 | Y258 F410 L414 P419 F457 D461 L462 | Y258-L459 HydrophobicContact CE1-CD2 4.18Å; F410-L459 HydrophobicContact CE2-CD1 3.55Å; F410-L459 HydrophobicContact CZ-CD1 3.81Å; L414-L459 HydrophobicContact CD1-CB 4.06Å; L414-L459 HydrophobicContact CD1-CD1 3.99Å; L414-L459 HydrophobicContact CD2-CB 3.94Å; L414-L459 HydrophobicContact CG-CB 3.85Å; L414-L459 HydrophobicContact CG-CD1 4.34Å; P419-L459 HydrophobicContact CG-CD1 4.43Å; P419-L459 HydrophobicContact CG-CD2 4.13Å; F457-L459 HydrophobicContact CB-CG 4.33Å; F457-L459 PolarHBondContact O-N 2.9Å; L459-D461 PolarHBondContact O-N 2.9Å; L459-L462 HydrophobicContact CD2-CD1 3.97Å; L459-L462 PolarHBondContact O-N 2.85Å |
| 460 | H | 96.1 | Very high | 95.4 | Very high | 51 Ų | 51 | 83.2 Ų | 83.2 | 24% | 0.236 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -63.1 | -28.4 | 173.6 | -70 | -99.3 | 0 | 0 | 0 | 112.7 | S415 R458 L462 L463 | S415-H460 PolarHBondContact OG-CE1 3.17Å; S415-H460 PolarHBondContact OG-NE2 3.5Å; R458-H460 PolarHBondContact O-N 3.27Å; R458-H460 VanDerWaalsContact O-N 3.11Å; H460-L462 PolarHBondContact O-N 2.93Å; H460-L463 PolarHBondContact O-N 2.78Å |
| 461 | D | 96.4 | Very high | 95.2 | Very high | 88 Ų | 88 | 83.1 Ų | 83.1 | 47% | 0.471 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -83.6 | -4.1 | -178.9 | -51.8 | 1.9 | 0 | 0 | 0 | 111.8 | R458 L459 | R458-D461 HydrophobicContact CB-CB 4.48Å; R458-D461 IonicContact CZ-OD2 3.54Å; R458-D461 IonicContact NE-OD2 3.46Å; R458-D461 PolarHBondContact NE-OD2 3.13Å; R458-D461 IonicContact NH2-OD2 3.2Å; R458-D461 PolarHBondContact NH2-OD2 3.3Å; R458-D461 VanDerWaalsContact O-CB 3.31Å; R458-D461 WeakPolarHBondContact O-CB 3.46Å; R458-D461 PolarHBondContact O-N 2.77Å; L459-D461 PolarHBondContact O-N 2.9Å |
| 462 | L | 95.7 | Very high | 94.9 | Very high | 93 Ų | 93 | 84.3 Ų | 84.3 | 49% | 0.487 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -98 | -9 | 174.1 | -55.8 | 179.8 | 0 | 0 | 0 | 112.4 | Y258 L459 H460 | Y258-L462 WeakPolarHBondContact CB-O 3.45Å; Y258-L462 HydrophobicContact CD1-CB 3.71Å; Y258-L462 HydrophobicContact CD2-CB 4.41Å; Y258-L462 HydrophobicContact CE1-CB 3.78Å; Y258-L462 HydrophobicContact CE1-CD1 3.78Å; Y258-L462 HydrophobicContact CE1-CG 4.42Å; Y258-L462 HydrophobicContact CE2-CB 4.46Å; Y258-L462 HydrophobicContact CE2-CD1 4.22Å; Y258-L462 HydrophobicContact CG-CB 4.05Å; L459-L462 HydrophobicContact CD2-CD1 3.97Å; L459-L462 PolarHBondContact O-N 2.85Å; H460-L462 PolarHBondContact O-N 2.93Å |
| 463 | L | 95.2 | Very high | 94.7 | Very high | 45 Ų | 45 | 86.6 Ų | 86.6 | 24% | 0.236 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -71.8 | 142 | 175.2 | -57.8 | 178.6 | 0 | 0 | 0 | 110.2 | Y258 I261 L414 H460 | Y258-L463 HydrophobicContact CD1-CD2 4.21Å; I261-L463 HydrophobicContact CB-CD2 3.85Å; I261-L463 HydrophobicContact CG2-CD2 3.57Å; L414-L463 HydrophobicContact CD2-CD1 4.02Å; L414-L463 HydrophobicContact CD2-CD2 4.28Å; L414-L463 HydrophobicContact CD2-CG 4.31Å; H460-L463 PolarHBondContact O-N 2.78Å |
| 464 | P | 91.9 | Very high | 94.4 | Very high | 36 Ų | 36 | 93.1 Ų | 93.1 | 23% | 0.234 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 154.8 | 174.4 | 24.2 | -32.8 | 0 | 0 | 0 | 112 | Y259 K262 | Y259-P464 HydrophobicContact CD2-CG 4.23Å; K262-P464 HydrophobicContact CB-CG 3.94Å; K262-P464 HydrophobicContact CD-CG 4.43Å; K262-P464 WeakPolarHBondContact CE-O 3.47Å; K262-P464 HydrophobicContact CG-CG 3.99Å; K262-P464 PolarHBondContact NZ-O 2.7Å |
| 465 | P | 87.7 | Confident | 94 | Very high | 119 Ų | 119 | 91.3 Ų | 91.3 | 77% | 0.773 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 167.2 | 177.4 | 27.2 | -35.5 | 0 | 0 | 0 | 112.7 | K262 | K262-P465 VanDerWaalsContact NZ-C 3.28Å; K262-P465 PolarHBondContact NZ-O 2.67Å |
| 466 | D | 77.1 | Confident | 93.7 | Very high | 215 Ų | 215 | 88.9 Ų | 88.9 | 100% | 1.15 | 44% | 0.443 | S | S | * | . | trans | -79.7 | 0 | 167.9 | -58.6 | -53.9 | 0 | 0 | 0 | 111.6 | K262 | K262-D466 VanDerWaalsContact CE-OD1 3.3Å; K262-D466 WeakPolarHBondContact CE-OD1 3.36Å; K262-D466 IonicContact NZ-OD1 2.73Å; K262-D466 PolarHBondContact NZ-OD1 3.31Å; K262-D466 IonicContact NZ-OD2 3.66Å |
Retrieved 466 of 466 residues in 135.6 ms
(Link to these results)