| 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 | 48 | Very low | 49.7 | Very low | 238 Ų | 238 | 135.7 Ų | 135.7 | 100% | 1.172 | 85% | 0.848 | S | S | * | * | 0 | 118.3 | 0 | -81.7 | 171.1 | 164.2 | 0 | 0 | 107.1 | |||||
| 2 | S | 43.4 | Very low | 50.3 | Low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 85% | 0.848 | S | S | * | * | trans | 52.6 | 137.1 | 148.5 | -46.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 3 | F | 40.5 | Very low | 50.4 | Low | 191 Ų | 191 | 133.2 Ų | 133.2 | 84% | 0.838 | 84% | 0.842 | S | S | * | * | cis | -168.7 | 159.9 | -16.1 | -121.2 | -81.1 | 0 | 0 | 0 | 106.1 | ||||
| 4 | C | 41.7 | Very low | 49.9 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 71% | 0.709 | 85% | 0.846 | S | S | * | * | trans | -36.8 | 163 | 170.4 | -57.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 5 | S | 49.4 | Very low | 50.4 | Low | 113 Ų | 113 | 143 Ų | 143 | 79% | 0.79 | 85% | 0.851 | S | S | * | * | -171.5 | 136.8 | 59.6 | -66.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 6 | S | 46.1 | Very low | 50.3 | Low | 121 Ų | 121 | 145.1 Ų | 145.1 | 85% | 0.846 | 85% | 0.849 | S | S | * | * | trans | -70.7 | 137.7 | 159.3 | 42 | 0 | 0 | 0 | 0 | 112 | ||||
| 7 | S | 61.6 | Low | 50.3 | Low | 124 Ų | 124 | 142.3 Ų | 142.3 | 87% | 0.867 | 85% | 0.846 | S | S | * | * | trans | -108.8 | 134.3 | 167 | 53.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 8 | S | 53 | Low | 50.4 | Low | 116 Ų | 116 | 147.2 Ų | 147.2 | 81% | 0.811 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -100 | 138.5 | -171.4 | 37.2 | 0 | 0 | 0 | 0 | 111.5 | ||
| 9 | C | 59.8 | Low | 50.2 | Low | 126 Ų | 126 | 149.2 Ų | 149.2 | 85% | 0.851 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 136.9 | 166.5 | -68.2 | 0 | 0 | 0 | 0 | 110.5 | ||
| 10 | P | 57.1 | Low | 50.6 | Low | 127 Ų | 127 | 150.7 Ų | 150.7 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 136 | 178.3 | 32.3 | -30.9 | 0 | 0 | 0 | 112.2 | ||
| 11 | S | 46.1 | Very low | 50.5 | Low | 125 Ų | 125 | 148.2 Ų | 148.2 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 132.2 | 169.8 | -35.7 | 0 | 0 | 0 | 0 | 110.6 | ||
| 12 | S | 57.3 | Low | 50.8 | Low | 121 Ų | 121 | 145.5 Ų | 145.5 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 146.3 | 174.9 | -139.9 | 0 | 0 | 0 | 0 | 111.7 | ||
| 13 | P | 51.4 | Low | 51 | Low | 118 Ų | 118 | 150 Ų | 150 | 77% | 0.766 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 153.4 | -163.1 | 32.2 | -22.2 | 0 | 0 | 0 | 115.4 | ||
| 14 | R | 42.7 | Very low | 51.5 | Low | 237 Ų | 237 | 152.4 Ų | 152.4 | 89% | 0.894 | 84% | 0.841 | S | S | * | * | trans | -41.2 | 135 | 164.1 | -89.3 | 172.7 | 161.8 | 168.7 | -5.2 | 113.5 | ||||
| 15 | L | 58.6 | Low | 52.2 | Low | 176 Ų | 176 | 155.7 Ų | 155.7 | 92% | 0.921 | 85% | 0.846 | S | S | * | * | trans | -112.7 | 116.9 | 155 | -83.2 | 166.6 | 0 | 0 | 0 | 109.8 | ||||
| 16 | Q | 48 | Very low | 51.8 | Low | 177 Ų | 177 | 155.8 Ų | 155.8 | 83% | 0.827 | 84% | 0.844 | S | S | * | * | trans | -92.8 | 162 | 163 | -87.6 | -179.5 | -34.2 | 0 | 0 | 109.5 | ||||
| 17 | A | 51.1 | Low | 52.4 | Low | 97 Ų | 97 | 156.9 Ų | 156.9 | 80% | 0.802 | 85% | 0.845 | S | S | * | * | trans | 86.8 | 135.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 18 | R | 51.6 | Low | 51.5 | Low | 230 Ų | 230 | 158.2 Ų | 158.2 | 87% | 0.868 | 84% | 0.842 | S | S | * | * | cis | -163.2 | 132.2 | 33.9 | -151.3 | 169.9 | 177.9 | -179.4 | -1.2 | 110.3 | ||||
| 19 | E | 46.9 | Very low | 51.2 | Low | 185 Ų | 185 | 155.8 Ų | 155.8 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | trans | -70.2 | 124.8 | 169 | -173.4 | -178.8 | 132.4 | 0 | 0 | 110.2 | ||||
| 20 | Q | 57.8 | Low | 50.6 | Low | 180 Ų | 180 | 158.2 Ų | 158.2 | 84% | 0.841 | 84% | 0.839 | S | S | * | * | trans | -142.3 | 110.8 | 153.9 | -78.7 | -158.3 | -13.8 | 0 | 0 | 110.2 | ||||
| 21 | A | 48 | Very low | 49.8 | Very low | 99 Ų | 99 | 160.3 Ų | 160.3 | 82% | 0.818 | 84% | 0.843 | S | S | * | * | trans | -68.2 | 131.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 22 | Q | 55.6 | Low | 49.7 | Very low | 180 Ų | 180 | 157.2 Ų | 157.2 | 84% | 0.841 | 83% | 0.831 | S | S | * | * | trans | -134 | 107.1 | 157.2 | -158.5 | 154.9 | 23.1 | 0 | 0 | 110.7 | R24 | Q22-R24 PolarHBondContact O-N 3.37Š| ||
| 23 | K | 46.4 | Very low | 49.2 | Very low | 202 Ų | 202 | 161.2 Ų | 161.2 | 88% | 0.878 | 83% | 0.833 | S | S | * | * | trans | -43.9 | 125 | 166.2 | -86.7 | 172.1 | 166.9 | 176.1 | 0 | 111.2 | ||||
| 24 | R | 51.9 | Low | 48.5 | Very low | 241 Ų | 241 | 161.8 Ų | 161.8 | 91% | 0.909 | 84% | 0.839 | S | S | * | * | trans | -132.7 | 126.6 | 149.8 | -71.5 | -166.7 | 175.3 | -155.9 | -0.1 | 109.2 | Q22 | Q22-R24 PolarHBondContact O-N 3.37Š| ||
| 25 | Q | 56.2 | Low | 48.3 | Very low | 175 Ų | 175 | 159.2 Ų | 159.2 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -74.8 | 160.7 | -178.4 | -75.7 | -167.4 | -52.2 | 0 | 0 | 111.8 | ||||
| 26 | P | 40.7 | Very low | 47.4 | Very low | 115 Ų | 115 | 156.7 Ų | 156.7 | 75% | 0.747 | 83% | 0.83 | S | S | * | * | trans | -74 | 142.7 | -178.2 | 32 | -33.4 | 0 | 0 | 0 | 110.4 | ||||
| 27 | V | 58.4 | Low | 46.7 | Very low | 144 Ų | 144 | 157.1 Ų | 157.1 | 87% | 0.873 | 83% | 0.829 | S | S | * | * | trans | -112.9 | 105.3 | 168.9 | -152.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 28 | D | 43.5 | Very low | 46 | Very low | 151 Ų | 151 | 159.1 Ų | 159.1 | 81% | 0.807 | 83% | 0.831 | S | S | * | * | trans | -74.5 | 140.8 | 170.1 | -74.9 | -47.2 | 0 | 0 | 0 | 110.3 | ||||
| 29 | G | 45.5 | Very low | 45.4 | Very low | 65 Ų | 65 | 153.6 Ų | 153.6 | 67% | 0.67 | 83% | 0.828 | S | S | * | * | trans | 89.3 | 110.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 30 | L | 47.1 | Very low | 44.9 | Very low | 178 Ų | 178 | 153.3 Ų | 153.3 | 93% | 0.932 | 82% | 0.823 | S | S | * | * | 179.8 | 131.5 | 104.7 | -89.8 | 161.2 | 0 | 0 | 0 | 110.6 | |||||
| 31 | D | 41.7 | Very low | 44 | Very low | 171 Ų | 171 | 153 Ų | 153 | 91% | 0.914 | 82% | 0.822 | S | S | * | * | trans | -47.9 | 124 | 172.2 | -150 | -1.4 | 0 | 0 | 0 | 111.6 | ||||
| 32 | G | 44.3 | Very low | 43.6 | Very low | 60 Ų | 60 | 157.4 Ų | 157.4 | 62% | 0.619 | 83% | 0.826 | S | S | * | * | trans | -179.8 | 81.5 | -173 | 0 | 0 | 0 | 0 | 0 | 116.3 | C34 | G32-C34 PolarHBondContact O-N 3.29Š| ||
| 33 | K | 45.1 | Very low | 42.7 | Very low | 204 Ų | 204 | 158.6 Ų | 158.6 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | trans | 12.7 | 99.9 | 152.5 | -72.4 | 173.5 | 176.4 | 173.1 | 0 | 116.2 | K35 | K33-K35 PolarHBondContact O-N 3.13Å; K33-K35 VanDerWaalsContact O-N 3.13Å | ||
| 34 | C | 36.8 | Very low | 42.3 | Very low | 131 Ų | 131 | 153.9 Ų | 153.9 | 89% | 0.885 | 82% | 0.823 | S | S | * | * | trans | -68.2 | 108 | 163.5 | -66 | 0 | 0 | 0 | 0 | 110.1 | G32 | G32-C34 PolarHBondContact O-N 3.29Š| ||
| 35 | K | 40.4 | Very low | 41.5 | Very low | 182 Ų | 182 | 146.3 Ų | 146.3 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -83.8 | 116.7 | 157.6 | -79.1 | 178.5 | 175.2 | 176.8 | 0 | 107.6 | K33 F37 | K33-K35 PolarHBondContact O-N 3.13Å; K33-K35 VanDerWaalsContact O-N 3.13Å; K35-F37 PolarHBondContact O-N 3.42Å | ||
| 36 | C | 38.8 | Very low | 40.6 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | trans | -70.2 | 115 | 167.4 | -62.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 37 | F | 33.9 | Very low | 40.7 | Very low | 187 Ų | 187 | 152.5 Ų | 152.5 | 82% | 0.82 | 81% | 0.808 | S | S | * | * | trans | -79.5 | 120.1 | 162 | -91.4 | -95 | 0 | 0 | 0 | 108.2 | K35 S39 | K35-F37 PolarHBondContact O-N 3.42Å; F37-S39 PolarHBondContact O-N 2.81Å | ||
| 38 | V | 35.7 | Very low | 40 | Very low | 139 Ų | 139 | 152 Ų | 152 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -79.2 | 99 | 166.3 | 176.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 39 | S | 38 | Very low | 39.9 | Very low | 113 Ų | 113 | 151.7 Ų | 151.7 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -83 | 123.6 | 164.3 | -81.5 | 0 | 0 | 0 | 0 | 109.2 | F37 | F37-S39 PolarHBondContact O-N 2.81Š| ||
| 40 | K | 37.3 | Very low | 39.6 | Very low | 179 Ų | 179 | 152 Ų | 152 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | trans | -63.6 | 154.8 | 168.4 | -121 | 174.2 | 175.5 | -178.3 | 0 | 109.5 | ||||
| 41 | E | 38.6 | Very low | 39.4 | Very low | 175 Ų | 175 | 149 Ų | 149 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 80.2 | 92.9 | 162.7 | -61.6 | 165.9 | -176.4 | 0 | 0 | 115.3 | ||||
| 42 | E | 39.6 | Very low | 39.5 | Very low | 190 Ų | 190 | 149.6 Ų | 149.6 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | -166.6 | 102.3 | 126.9 | -101.8 | 173.6 | 176.4 | 0 | 0 | 107.6 | C44 | E42-C44 PolarHBondContact O-N 3.49Š| |||
| 43 | E | 37.9 | Very low | 39.4 | Very low | 205 Ų | 205 | 156.4 Ų | 156.4 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | trans | -67.2 | 95.7 | 172.3 | -75.8 | -176.9 | 125 | 0 | 0 | 108.9 | S45 | E43-S45 PolarHBondContact O-N 3.19Å; E43-S45 VanDerWaalsContact O-N 3.12Å | ||
| 44 | C | 36.3 | Very low | 39.2 | Very low | 103 Ų | 103 | 152.9 Ų | 152.9 | 70% | 0.696 | 78% | 0.78 | S | S | * | * | trans | -65 | 111.2 | 162.1 | -76.7 | 0 | 0 | 0 | 0 | 108.8 | E42 W46 | E42-C44 PolarHBondContact O-N 3.49Å; C44-W46 VanDerWaalsContact O-CD1 3.25Å; C44-W46 PolarHBondContact O-N 3.33Å | ||
| 45 | S | 35.1 | Very low | 39.8 | Very low | 83 Ų | 83 | 157.7 Ų | 157.7 | 58% | 0.58 | 78% | 0.779 | S | S | * | * | trans | -57.1 | 100.1 | 171.5 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | E43 R47 | E43-S45 PolarHBondContact O-N 3.19Å; E43-S45 VanDerWaalsContact O-N 3.12Å; S45-R47 PolarHBondContact O-N 2.81Å | ||
| 46 | W | 38.4 | Very low | 40.1 | Very low | 212 Ų | 212 | 154.7 Ų | 154.7 | 80% | 0.803 | 78% | 0.778 | S | S | * | * | trans | -81.7 | 16 | 168 | -76.5 | 95.3 | 0 | 0 | 0 | 112.7 | C44 | C44-W46 VanDerWaalsContact O-CD1 3.25Å; C44-W46 PolarHBondContact O-N 3.33Å | ||
| 47 | R | 42.1 | Very low | 40.7 | Very low | 208 Ų | 208 | 156.8 Ų | 156.8 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -14.7 | -173.1 | -70.9 | -166.9 | -160.9 | -119.2 | 3.8 | 115.2 | S45 | S45-R47 PolarHBondContact O-N 2.81Š|
| 48 | D | 43.3 | Very low | 41.6 | Very low | 132 Ų | 132 | 155.5 Ų | 155.5 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 4.6 | -168.3 | -65 | -36 | 0 | 0 | 0 | 115.5 | ||
| 49 | I | 41.4 | Very low | 42.3 | Very low | 145 Ų | 145 | 158.6 Ų | 158.6 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -115.3 | -9.5 | -179.5 | -55.9 | 175.3 | 0 | 0 | 0 | 112.6 | ||
| 50 | S | 40.3 | Very low | 42.6 | Very low | 72 Ų | 72 | 156 Ų | 156 | 50% | 0.503 | 78% | 0.779 | S | S | . | * | S | Bend | trans | -94.5 | -7.2 | -179.2 | -66.2 | 0 | 0 | 0 | 0 | 115 | E52 | S50-E52 VanDerWaalsContact C-N 3.28Å; S50-E52 PolarHBondContact O-N 2.87Å |
| 51 | T | 42.4 | Very low | 42.7 | Very low | 115 Ų | 115 | 155.2 Ų | 155.2 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 0.7 | -170.2 | 33.7 | 0 | 0 | 0 | 0 | 115.8 | ||
| 52 | E | 42.9 | Very low | 43.2 | Very low | 184 Ų | 184 | 153.3 Ų | 153.3 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -2.3 | 179.9 | -153.1 | 151.6 | 170 | 0 | 0 | 114.5 | S50 | S50-E52 VanDerWaalsContact C-N 3.28Å; S50-E52 PolarHBondContact O-N 2.87Å |
| 53 | F | 42.4 | Very low | 44 | Very low | 202 Ų | 202 | 151.7 Ų | 151.7 | 89% | 0.886 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | -5.5 | 175.4 | -91 | -90.9 | 0 | 0 | 0 | 115.2 | R55 | F53-R55 PolarHBondContact O-N 3.39Š|
| 54 | D | 41.5 | Very low | 45 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -95.4 | 52.2 | -179.9 | -77.6 | -36.3 | 0 | 0 | 0 | 113.1 | ||||
| 55 | R | 50.4 | Low | 46 | Very low | 232 Ų | 232 | 148.9 Ų | 148.9 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 122.1 | 161.1 | -93.9 | -171 | -171.3 | -174.8 | 4.1 | 108.8 | F53 L57 | F53-R55 PolarHBondContact O-N 3.39Å; R55-L57 PolarHBondContact O-N 3.17Å; R55-L57 VanDerWaalsContact O-N 3.16Å |
| 56 | P | 46.6 | Very low | 47 | Very low | 119 Ų | 119 | 153 Ų | 153 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 120.8 | 175.9 | 24.6 | -31 | 0 | 0 | 0 | 109.2 | N58 | P56-N58 PolarHBondContact O-N 3.41Š|
| 57 | L | 50.1 | Low | 48.3 | Very low | 166 Ų | 166 | 148.9 Ų | 148.9 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67 | 124.9 | 161.8 | -75.4 | 167.5 | 0 | 0 | 0 | 106.6 | R55 E59 | R55-L57 PolarHBondContact O-N 3.17Å; R55-L57 VanDerWaalsContact O-N 3.16Å; L57-E59 PolarHBondContact O-N 2.91Å |
| 58 | N | 54.1 | Low | 48.9 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 125.7 | 175.5 | -76.7 | -31.2 | 0 | 0 | 0 | 110.2 | P56 G60 | P56-N58 PolarHBondContact O-N 3.41Å; N58-G60 PolarHBondContact O-N 2.8Å |
| 59 | E | 49.9 | Very low | 49.2 | Very low | 204 Ų | 204 | 145.4 Ų | 145.4 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | trans | -63 | 97.5 | 171.3 | -71.3 | 174 | 152.4 | 0 | 0 | 108.7 | L57 | L57-E59 PolarHBondContact O-N 2.91Š| ||
| 60 | G | 43.7 | Very low | 49.8 | Very low | 59 Ų | 59 | 145.5 Ų | 145.5 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | trans | -147 | 108.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109 | N58 | N58-G60 PolarHBondContact O-N 2.8Š| ||
| 61 | D | 39.8 | Very low | 49.8 | Very low | 161 Ų | 161 | 146.6 Ų | 146.6 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | 59 | 68.7 | 162.5 | -54.4 | -31.9 | 0 | 0 | 0 | 118.5 | M63 | D61-M63 PolarHBondContact O-N 3.12Š| ||
| 62 | C | 48.7 | Very low | 50 | Low | 135 Ų | 135 | 149.5 Ų | 149.5 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | trans | -74.4 | 103 | 156.8 | -82.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 63 | M | 57 | Low | 50 | Low | 156 Ų | 156 | 145.6 Ų | 145.6 | 77% | 0.768 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 137.8 | 168.5 | -77.7 | -62.4 | -56.7 | 0 | 0 | 111.5 | D61 V65 | D61-M63 PolarHBondContact O-N 3.12Å; M63-V65 PolarHBondContact O-N 2.8Å |
| 64 | P | 59.5 | Low | 50.5 | Low | 109 Ų | 109 | 144.4 Ų | 144.4 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 118.8 | 174.4 | 26 | -34 | 0 | 0 | 0 | 110.8 | Q66 | P64-Q66 PolarHBondContact O-N 2.7Š|
| 65 | V | 55.5 | Low | 50.6 | Low | 140 Ų | 140 | 145.7 Ų | 145.7 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 117.4 | 169 | -179 | 0 | 0 | 0 | 0 | 108.1 | M63 | M63-V65 PolarHBondContact O-N 2.8Š|
| 66 | Q | 57.5 | Low | 50.6 | Low | 169 Ų | 169 | 141.1 Ų | 141.1 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 134.2 | 172.1 | -68.6 | -165.8 | -8.5 | 0 | 0 | 110.4 | P64 L68 | P64-Q66 PolarHBondContact O-N 2.7Å; Q66-L68 PolarHBondContact O-N 2.88Å |
| 67 | P | 64.3 | Low | 51.1 | Low | 127 Ų | 127 | 143.6 Ų | 143.6 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 127.4 | 174.1 | -18.5 | 30.1 | 0 | 0 | 0 | 111.2 | ||
| 68 | L | 54.5 | Low | 50.9 | Low | 157 Ų | 157 | 142.4 Ų | 142.4 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 144.9 | 172.9 | -72.4 | 171.6 | 0 | 0 | 0 | 111.2 | Q66 V70 | Q66-L68 PolarHBondContact O-N 2.88Å; L68-V70 PolarHBondContact O-N 3.49Å |
| 69 | P | 50 | Low | 51 | Low | 110 Ų | 110 | 139.5 Ų | 139.5 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 130 | -177.1 | 24.1 | -32.5 | 0 | 0 | 0 | 112.2 | S71 | P69-S71 PolarHBondContact O-N 3.33Š|
| 70 | V | 53.7 | Low | 51.3 | Low | 146 Ų | 146 | 135.8 Ų | 135.8 | 89% | 0.885 | 77% | 0.768 | S | S | * | * | trans | -77.7 | 81.3 | -179.1 | -171.9 | 0 | 0 | 0 | 0 | 109.5 | L68 | L68-V70 PolarHBondContact O-N 3.49Š| ||
| 71 | S | 41.4 | Very low | 52.1 | Low | 96 Ų | 96 | 135.7 Ų | 135.7 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | trans | -143 | 92.1 | 166.6 | 59.8 | 0 | 0 | 0 | 0 | 109.5 | P69 | P69-S71 PolarHBondContact O-N 3.33Š| ||
| 72 | E | 46.9 | Very low | 53 | Low | 176 Ų | 176 | 133.9 Ų | 133.9 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | 140.2 | 59.8 | 163.3 | -76.6 | -165.5 | 152.4 | 0 | 0 | 111.6 | K74 | E72-K74 VanDerWaalsContact C-N 3.27Å; E72-K74 PolarHBondContact O-N 3.23Å | ||
| 73 | A | 42.2 | Very low | 53.3 | Low | 102 Ų | 102 | 130.4 Ų | 130.4 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | trans | -75 | 78.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 74 | K | 52.1 | Low | 53.5 | Low | 177 Ų | 177 | 128.9 Ų | 128.9 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | trans | -92.5 | 98.6 | 162.7 | -85.3 | 177.6 | -179.2 | 164.8 | 0 | 109.4 | E72 V76 | E72-K74 VanDerWaalsContact C-N 3.27Å; E72-K74 PolarHBondContact O-N 3.23Å; K74-V76 PolarHBondContact O-N 2.85Å | ||
| 75 | L | 45.5 | Very low | 53.7 | Low | 158 Ų | 158 | 127.6 Ų | 127.6 | 83% | 0.827 | 71% | 0.707 | S | S | * | * | trans | 52.8 | 50.5 | 153.1 | -143.7 | 101 | 0 | 0 | 0 | 117.5 | K77 | L75-K77 PolarHBondContact O-N 2.83Š| ||
| 76 | V | 49.1 | Very low | 53.9 | Low | 136 Ų | 136 | 124.1 Ų | 124.1 | 82% | 0.824 | 69% | 0.689 | S | S | * | * | trans | -77.7 | 105.4 | 161 | 178.9 | 0 | 0 | 0 | 0 | 107.8 | K74 H78 | K74-V76 PolarHBondContact O-N 2.85Å; V76-H78 PolarHBondContact O-N 3.49Å | ||
| 77 | K | 56.7 | Low | 54.1 | Low | 170 Ų | 170 | 119.9 Ų | 119.9 | 74% | 0.739 | 67% | 0.674 | S | S | * | * | trans | -56.6 | 130.3 | 170.7 | -82.1 | 179.6 | 174 | 179.4 | 0 | 109.2 | L75 | L75-K77 PolarHBondContact O-N 2.83Š| ||
| 78 | H | 47.4 | Very low | 54.2 | Low | 141 Ų | 141 | 123.4 Ų | 123.4 | 65% | 0.653 | 67% | 0.671 | S | S | * | * | trans | -46.6 | 131.7 | 179.3 | -118.1 | -81 | 0 | 0 | 0 | 111.8 | V76 H80 S81 | V76-H78 PolarHBondContact O-N 3.49Å; H78-H80 AromaticContact ND1-CD2 3.96Å; H78-H80 PolarHBondContact O-N 2.54Å; H78-S81 PolarHBondContact O-N 2.71Å; H78-S81 VanDerWaalsContact O-N 3.13Å; H78-S81 PolarHBondContact O-OG 3.3Å | ||
| 79 | P | 55.2 | Low | 54.7 | Low | 100 Ų | 100 | 120.1 Ų | 120.1 | 65% | 0.649 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -18.2 | -179.6 | 20.6 | -31.2 | 0 | 0 | 0 | 113.9 | S81 L82 | P79-S81 VanDerWaalsContact C-N 3.32Å; P79-S81 PolarHBondContact O-N 3.36Å; P79-L82 PolarHBondContact O-N 3.07Å |
| 80 | H | 56.7 | Low | 55.4 | Low | 126 Ų | 126 | 118 Ų | 118 | 58% | 0.583 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -62.7 | -33.2 | 175.3 | -79.4 | -86.7 | 0 | 0 | 0 | 113.8 | H78 L82 A83 E84 | H78-H80 AromaticContact ND1-CD2 3.96Å; H78-H80 PolarHBondContact O-N 2.54Å; H80-L82 VanDerWaalsContact C-N 3.28Å; H80-L82 PolarHBondContact O-N 2.89Å; H80-A83 PolarHBondContact O-N 2.96Å; H80-E84 WeakPolarHBondContact O-CG 3.43Å; H80-E84 PolarHBondContact O-N 3.27Å |
| 81 | S | 60.4 | Low | 56 | Low | 58 Ų | 58 | 118.1 Ų | 118.1 | 41% | 0.406 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -70.8 | -20.8 | -176.9 | 65.4 | 0 | 0 | 0 | 0 | 114.2 | H78 P79 N85 | H78-S81 PolarHBondContact O-N 2.71Å; H78-S81 VanDerWaalsContact O-N 3.13Å; H78-S81 PolarHBondContact O-OG 3.3Å; P79-S81 VanDerWaalsContact C-N 3.32Å; P79-S81 PolarHBondContact O-N 3.36Å; S81-N85 PolarHBondContact O-N 3.31Å; S81-N85 PolarHBondContact O-ND2 3.39Å |
| 82 | L | 57.8 | Low | 57.1 | Low | 123 Ų | 123 | 117.6 Ų | 117.6 | 64% | 0.644 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -81.1 | -43.9 | 177.9 | -160.2 | 91.6 | 0 | 0 | 0 | 111.5 | P79 H80 E84 N85 S86 | P79-L82 PolarHBondContact O-N 3.07Å; H80-L82 VanDerWaalsContact C-N 3.28Å; H80-L82 PolarHBondContact O-N 2.89Å; L82-E84 VanDerWaalsContact C-N 3.29Å; L82-E84 PolarHBondContact O-N 3.33Å; L82-N85 PolarHBondContact O-N 3.04Å; L82-N85 PolarHBondContact O-OD1 3.47Å; L82-S86 PolarHBondContact O-N 2.95Å; L82-S86 VanDerWaalsContact O-N 3.08Å |
| 83 | A | 56.9 | Low | 57.8 | Low | 61 Ų | 61 | 111.5 Ų | 111.5 | 50% | 0.504 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63 | -38.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H80 S86 T87 | H80-A83 PolarHBondContact O-N 2.96Å; A83-S86 PolarHBondContact O-N 2.91Å; A83-T87 WeakPolarHBondContact O-CB 3.48Å; A83-T87 WeakPolarHBondContact O-CG2 3.2Å; A83-T87 PolarHBondContact O-N 2.56Å; A83-T87 PolarHBondContact O-OG1 2.82Å |
| 84 | E | 60.9 | Low | 58.7 | Low | 125 Ų | 125 | 110.3 Ų | 110.3 | 58% | 0.584 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.2 | -37.8 | 177.1 | -71.6 | 175.1 | -178.3 | 0 | 0 | 112.8 | H80 L82 S86 T87 R88 | H80-E84 WeakPolarHBondContact O-CG 3.43Å; H80-E84 PolarHBondContact O-N 3.27Å; L82-E84 VanDerWaalsContact C-N 3.29Å; L82-E84 PolarHBondContact O-N 3.33Å; E84-S86 VanDerWaalsContact C-N 3.34Å; E84-T87 WeakPolarHBondContact CA-OG1 3.27Å; E84-T87 PolarHBondContact O-OG1 3.35Å; E84-T87 VanDerWaalsContact O-OG1 3.07Å; E84-R88 WeakPolarHBondContact O-CB 3.3Å; E84-R88 PolarHBondContact O-N 2.99Å |
| 85 | N | 63.2 | Low | 59.1 | Low | 81 Ų | 81 | 106.4 Ų | 106.4 | 43% | 0.433 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.5 | -34.9 | 176.6 | 78.1 | 33.3 | 0 | 0 | 0 | 111.9 | S81 L82 R88 T89 | S81-N85 PolarHBondContact O-N 3.31Å; S81-N85 PolarHBondContact O-ND2 3.39Å; L82-N85 PolarHBondContact O-N 3.04Å; L82-N85 PolarHBondContact O-OD1 3.47Å; N85-R88 PolarHBondContact O-N 3.13Å; N85-T89 VanDerWaalsContact O-CB 3.32Å; N85-T89 WeakPolarHBondContact O-CB 3.49Å; N85-T89 PolarHBondContact O-N 3.32Å; N85-T89 PolarHBondContact O-OG1 3.49Å |
| 86 | S | 59.9 | Low | 59.5 | Low | 68 Ų | 68 | 104.1 Ų | 104.1 | 48% | 0.476 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73.7 | -42.8 | 179.7 | -156.6 | 0 | 0 | 0 | 0 | 110 | L82 A83 E84 R88 T89 S90 | L82-S86 PolarHBondContact O-N 2.95Å; L82-S86 VanDerWaalsContact O-N 3.08Å; A83-S86 PolarHBondContact O-N 2.91Å; E84-S86 VanDerWaalsContact C-N 3.34Å; S86-R88 PolarHBondContact O-N 3.43Å; S86-T89 PolarHBondContact O-N 3.15Å; S86-S90 WeakPolarHBondContact O-CB 3.21Å; S86-S90 PolarHBondContact O-N 3.03Å; S86-S90 PolarHBondContact O-OG 3.15Å |
| 87 | T | 62.6 | Low | 59.9 | Low | 79 Ų | 79 | 102.6 Ų | 102.6 | 49% | 0.485 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.8 | -35.7 | 173.7 | 48.7 | 0 | 0 | 0 | 0 | 112.4 | A83 E84 K91 | A83-T87 WeakPolarHBondContact O-CB 3.48Å; A83-T87 WeakPolarHBondContact O-CG2 3.2Å; A83-T87 PolarHBondContact O-N 2.56Å; A83-T87 PolarHBondContact O-OG1 2.82Å; E84-T87 WeakPolarHBondContact CA-OG1 3.27Å; E84-T87 PolarHBondContact O-OG1 3.35Å; E84-T87 VanDerWaalsContact O-OG1 3.07Å; T87-K91 WeakPolarHBondContact O-CB 3.3Å; T87-K91 WeakPolarHBondContact O-CG 3.44Å; T87-K91 PolarHBondContact O-N 2.97Å |
| 88 | R | 65.1 | Low | 60 | Low | 201 Ų | 201 | 101.1 Ų | 101.1 | 76% | 0.758 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.1 | -38.6 | 173.7 | -171.1 | 175.9 | 178.9 | -179.3 | -0.3 | 112.4 | E84 N85 S86 S92 | E84-R88 WeakPolarHBondContact O-CB 3.3Å; E84-R88 PolarHBondContact O-N 2.99Å; N85-R88 PolarHBondContact O-N 3.13Å; S86-R88 PolarHBondContact O-N 3.43Å; R88-S92 VanDerWaalsContact O-CB 3.3Å; R88-S92 WeakPolarHBondContact O-CB 3.16Å; R88-S92 PolarHBondContact O-N 2.83Å |
| 89 | T | 65.1 | Low | 60.6 | Low | 88 Ų | 88 | 95.9 Ų | 95.9 | 54% | 0.54 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.8 | -46.2 | 176.9 | -54.5 | 0 | 0 | 0 | 0 | 110.8 | N85 S86 S92 A93 | N85-T89 VanDerWaalsContact O-CB 3.32Å; N85-T89 WeakPolarHBondContact O-CB 3.49Å; N85-T89 PolarHBondContact O-N 3.32Å; N85-T89 PolarHBondContact O-OG1 3.49Å; S86-T89 PolarHBondContact O-N 3.15Å; T89-S92 PolarHBondContact O-N 3.43Å; T89-A93 WeakPolarHBondContact O-CB 3.33Å; T89-A93 PolarHBondContact O-N 3.47Å |
| 90 | S | 65.2 | Low | 61.2 | Low | 66 Ų | 66 | 97.3 Ų | 97.3 | 46% | 0.462 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.8 | -43.1 | 174.5 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | S86 S92 A93 V94 | S86-S90 WeakPolarHBondContact O-CB 3.21Å; S86-S90 PolarHBondContact O-N 3.03Å; S86-S90 PolarHBondContact O-OG 3.15Å; S90-S92 PolarHBondContact O-N 3.08Å; S90-A93 PolarHBondContact O-N 3.4Å; S90-V94 VanDerWaalsContact O-CB 3.3Å; S90-V94 WeakPolarHBondContact O-CB 3.32Å; S90-V94 WeakPolarHBondContact O-CG2 3.2Å; S90-V94 PolarHBondContact O-N 3.44Å |
| 91 | K | 65.4 | Low | 62.3 | Low | 149 Ų | 149 | 93.7 Ų | 93.7 | 65% | 0.648 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.8 | -46.2 | 173.1 | -79.9 | 177.9 | 178.6 | -178.8 | 0 | 110.8 | T87 A93 V94 T95 | T87-K91 WeakPolarHBondContact O-CB 3.3Å; T87-K91 WeakPolarHBondContact O-CG 3.44Å; T87-K91 PolarHBondContact O-N 2.97Å; K91-A93 VanDerWaalsContact C-N 3.31Å; K91-A93 PolarHBondContact O-N 3.29Å; K91-V94 CarbonylContact O-C 3.54Å; K91-V94 PolarHBondContact O-N 2.84Å; K91-T95 WeakPolarHBondContact O-CA 3.37Å; K91-T95 WeakPolarHBondContact O-CB 3.32Å; K91-T95 PolarHBondContact O-N 3.24Å; K91-T95 PolarHBondContact O-OG1 3.31Å |
| 92 | S | 65 | Low | 63.4 | Low | 84 Ų | 84 | 95 Ų | 95 | 59% | 0.587 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.3 | -32.5 | 179.5 | -170.7 | 0 | 0 | 0 | 0 | 113.2 | R88 T89 S90 P96 | R88-S92 VanDerWaalsContact O-CB 3.3Å; R88-S92 WeakPolarHBondContact O-CB 3.16Å; R88-S92 PolarHBondContact O-N 2.83Å; T89-S92 PolarHBondContact O-N 3.43Å; S90-S92 PolarHBondContact O-N 3.08Å; S92-P96 WeakPolarHBondContact O-CD 3.35Å |
| 93 | A | 61.4 | Low | 64.7 | Low | 49 Ų | 49 | 94.7 Ų | 94.7 | 41% | 0.405 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72.7 | -34.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T89 S90 K91 | T89-A93 WeakPolarHBondContact O-CB 3.33Å; T89-A93 PolarHBondContact O-N 3.47Å; S90-A93 PolarHBondContact O-N 3.4Å; K91-A93 VanDerWaalsContact C-N 3.31Å; K91-A93 PolarHBondContact O-N 3.29Å |
| 94 | V | 61.1 | Low | 65.8 | Low | 76 Ų | 76 | 95.3 Ų | 95.3 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -87.5 | -21 | -179.8 | 177.2 | 0 | 0 | 0 | 0 | 112.7 | S90 K91 M97 I98 | S90-V94 VanDerWaalsContact O-CB 3.3Å; S90-V94 WeakPolarHBondContact O-CB 3.32Å; S90-V94 WeakPolarHBondContact O-CG2 3.2Å; S90-V94 PolarHBondContact O-N 3.44Å; K91-V94 CarbonylContact O-C 3.54Å; K91-V94 PolarHBondContact O-N 2.84Å; V94-M97 CarbonylContact O-C 3.51Å; V94-M97 VanDerWaalsContact O-CA 3.3Å; V94-M97 WeakPolarHBondContact O-CA 3.5Å; V94-M97 WeakPolarHBondContact O-CB 3.2Å; V94-M97 PolarHBondContact O-N 2.69Å; V94-I98 HydrophobicContact CG1-CG1 4.12Å; V94-I98 WeakPolarHBondContact O-CG1 3.32Å; V94-I98 PolarHBondContact O-N 2.94Å; V94-I98 VanDerWaalsContact O-N 3.12Å |
| 95 | T | 59.8 | Low | 66.7 | Low | 96 Ų | 96 | 93.4 Ų | 93.4 | 59% | 0.589 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -62.3 | -37 | -177 | -57.1 | 0 | 0 | 0 | 0 | 113.6 | K91 M97 | K91-T95 WeakPolarHBondContact O-CA 3.37Å; K91-T95 WeakPolarHBondContact O-CB 3.32Å; K91-T95 PolarHBondContact O-N 3.24Å; K91-T95 PolarHBondContact O-OG1 3.31Å; T95-M97 PolarHBondContact O-N 2.89Å |
| 96 | P | 55.7 | Low | 67.6 | Low | 110 Ų | 110 | 95.6 Ų | 95.6 | 71% | 0.714 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -77.5 | -3 | 169.1 | 29.6 | -32.3 | 0 | 0 | 0 | 113.7 | S92 | S92-P96 WeakPolarHBondContact O-CD 3.35Š|
| 97 | M | 55.9 | Low | 68.7 | Low | 104 Ų | 104 | 98.3 Ų | 98.3 | 51% | 0.512 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -114.7 | 3.8 | -172.3 | -62.4 | -171.7 | 163.4 | 0 | 0 | 114.6 | V94 T95 S99 | V94-M97 CarbonylContact O-C 3.51Å; V94-M97 VanDerWaalsContact O-CA 3.3Å; V94-M97 WeakPolarHBondContact O-CA 3.5Å; V94-M97 WeakPolarHBondContact O-CB 3.2Å; V94-M97 PolarHBondContact O-N 2.69Å; T95-M97 PolarHBondContact O-N 2.89Å; M97-S99 PolarHBondContact O-N 3.42Å |
| 98 | I | 59.6 | Low | 69.4 | Low | 138 Ų | 138 | 96.8 Ų | 96.8 | 71% | 0.708 | 53% | 0.526 | S | S | * | . | trans | -76.9 | 68 | 168.8 | -49.5 | 174.7 | 0 | 0 | 0 | 107.7 | V94 | V94-I98 HydrophobicContact CG1-CG1 4.12Å; V94-I98 WeakPolarHBondContact O-CG1 3.32Å; V94-I98 PolarHBondContact O-N 2.94Å; V94-I98 VanDerWaalsContact O-N 3.12Å | ||
| 99 | S | 59.4 | Low | 70 | Confident | 31 Ų | 31 | 92.1 Ų | 92.1 | 22% | 0.217 | 52% | 0.515 | C | S | . | . | trans | -78.6 | 141.8 | 159.8 | 106.6 | 0 | 0 | 0 | 0 | 107.6 | M97 N101 E104 | M97-S99 PolarHBondContact O-N 3.42Å; S99-N101 PolarHBondContact O-N 3.15Å; S99-N101 VanDerWaalsContact O-N 3.15Å; S99-N101 PolarHBondContact OG-N 3.41Å; S99-E104 WeakPolarHBondContact CB-OE2 2.92Å; S99-E104 WeakPolarHBondContact OG-CB 3.49Å; S99-E104 VanDerWaalsContact OG-CD 3.27Å; S99-E104 WeakPolarHBondContact OG-CG 3.35Å; S99-E104 PolarHBondContact OG-OE2 3.24Å | ||
| 100 | S | 68.1 | Low | 70.8 | Confident | 130 Ų | 130 | 93.8 Ų | 93.8 | 91% | 0.909 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -74.3 | 9 | 178.5 | 29.7 | 0 | 0 | 0 | 0 | 113 | ||
| 101 | N | 80.9 | Confident | 71.6 | Confident | 51 Ų | 51 | 94.5 Ų | 94.5 | 27% | 0.273 | 52% | 0.519 | S | S | . | . | trans | -99.4 | 118.5 | 179.6 | 175.8 | 4.5 | 0 | 0 | 0 | 110.5 | S99 E103 E104 | S99-N101 PolarHBondContact O-N 3.15Å; S99-N101 VanDerWaalsContact O-N 3.15Å; S99-N101 PolarHBondContact OG-N 3.41Å; N101-E103 PolarHBondContact ND2-OE2 2.89Å; N101-E103 PolarHBondContact O-N 3.15Å; N101-E103 WeakPolarHBondContact OD1-CB 3.36Å; N101-E103 WeakPolarHBondContact OD1-CG 3.44Å; N101-E103 PolarHBondContact OD1-N 3.33Å; N101-E103 PolarHBondContact OD1-OE2 3.23Å; N101-E104 HydrophobicContact CB-CG 3.96Å; N101-E104 PolarHBondContact O-N 3.2Å; N101-E104 VanDerWaalsContact O-N 3.08Å | ||
| 102 | P | 82.3 | Confident | 72.1 | Confident | 86 Ų | 86 | 91.6 Ų | 91.6 | 56% | 0.558 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.7 | -30.9 | 178.6 | 24 | -34.8 | 0 | 0 | 0 | 113.6 | E104 I105 E106 | P102-E104 PolarHBondContact O-N 2.98Å; P102-I105 WeakPolarHBondContact O-CB 3.38Å; P102-I105 PolarHBondContact O-N 2.92Å; P102-E106 PolarHBondContact O-N 3.33Å |
| 103 | E | 85 | Confident | 73 | Confident | 115 Ų | 115 | 91.1 Ų | 91.1 | 54% | 0.537 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -28.4 | 179.3 | -59.7 | 162.7 | 167.5 | 0 | 0 | 112.4 | N101 R107 | N101-E103 PolarHBondContact ND2-OE2 2.89Å; N101-E103 PolarHBondContact O-N 3.15Å; N101-E103 WeakPolarHBondContact OD1-CB 3.36Å; N101-E103 WeakPolarHBondContact OD1-CG 3.44Å; N101-E103 PolarHBondContact OD1-N 3.33Å; N101-E103 PolarHBondContact OD1-OE2 3.23Å; E103-R107 WeakPolarHBondContact O-CG 3.34Å; E103-R107 PolarHBondContact O-N 2.98Å; E103-R107 PolarHBondContact O-NH1 3.06Å |
| 104 | E | 81.1 | Confident | 73.9 | Confident | 74 Ų | 74 | 95.1 Ų | 95.1 | 35% | 0.346 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -82.2 | -30.9 | 177.9 | -43.9 | -153.1 | 135.3 | 0 | 0 | 111.6 | S99 N101 P102 R107 C108 | S99-E104 WeakPolarHBondContact CB-OE2 2.92Å; S99-E104 WeakPolarHBondContact OG-CB 3.49Å; S99-E104 VanDerWaalsContact OG-CD 3.27Å; S99-E104 WeakPolarHBondContact OG-CG 3.35Å; S99-E104 PolarHBondContact OG-OE2 3.24Å; N101-E104 HydrophobicContact CB-CG 3.96Å; N101-E104 PolarHBondContact O-N 3.2Å; N101-E104 VanDerWaalsContact O-N 3.08Å; P102-E104 PolarHBondContact O-N 2.98Å; E104-R107 PolarHBondContact O-N 3.38Å; E104-R107 IonicContact OE1-NH2 2.95Å; E104-R107 PolarHBondContact OE1-NH2 3.25Å; E104-C108 PolarHBondContact O-N 3.35Å; E104-C108 PolarHBondContact O-SG 3.41Å |
| 105 | I | 79.7 | Confident | 74.7 | Confident | 86 Ų | 86 | 97 Ų | 97 | 44% | 0.441 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 172.6 | -60.4 | 175.2 | 0 | 0 | 0 | 109.5 | P102 R107 C108 I109 | P102-I105 WeakPolarHBondContact O-CB 3.38Å; P102-I105 PolarHBondContact O-N 2.92Å; I105-R107 PolarHBondContact O-N 3.25Å; I105-C108 WeakPolarHBondContact O-CB 3.3Å; I105-C108 PolarHBondContact O-N 3.1Å; I105-C108 VanDerWaalsContact O-N 3.16Å; I105-I109 HydrophobicContact CG2-CD1 4.05Å; I105-I109 WeakPolarHBondContact O-CG1 3.48Å; I105-I109 PolarHBondContact O-N 3.15Å |
| 106 | E | 81 | Confident | 75.8 | Confident | 127 Ų | 127 | 99.6 Ų | 99.6 | 59% | 0.593 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.1 | -47 | 175.5 | -73.2 | -177.4 | 173.4 | 0 | 0 | 111.5 | P102 C108 I109 D110 | P102-E106 PolarHBondContact O-N 3.33Å; E106-C108 VanDerWaalsContact C-N 3.31Å; E106-C108 PolarHBondContact O-N 3.35Å; E106-I109 WeakPolarHBondContact O-CB 3.14Å; E106-I109 PolarHBondContact O-N 3.31Å; E106-I109 VanDerWaalsContact O-N 3.09Å; E106-D110 PolarHBondContact O-N 3.09Å |
| 107 | R | 83.1 | Confident | 77.2 | Confident | 124 Ų | 124 | 99.3 Ų | 99.3 | 47% | 0.468 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.5 | -39.4 | 175 | -69.8 | -171.2 | -51 | -99.8 | 15.4 | 112.8 | E103 E104 I105 I109 D110 D111 | E103-R107 WeakPolarHBondContact O-CG 3.34Å; E103-R107 PolarHBondContact O-N 2.98Å; E103-R107 PolarHBondContact O-NH1 3.06Å; E104-R107 PolarHBondContact O-N 3.38Å; E104-R107 IonicContact OE1-NH2 2.95Å; E104-R107 PolarHBondContact OE1-NH2 3.25Å; I105-R107 PolarHBondContact O-N 3.25Å; R107-I109 VanDerWaalsContact C-N 3.32Å; R107-I109 PolarHBondContact O-N 3.47Å; R107-D110 PolarHBondContact O-N 3.49Å; R107-D111 PolarHBondContact O-N 2.98Å; R107-D111 VanDerWaalsContact O-N 3.15Å |
| 108 | C | 77.6 | Confident | 78.6 | Confident | 47 Ų | 47 | 96.9 Ų | 96.9 | 32% | 0.318 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -34.6 | 176.4 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | E104 I105 E106 D111 L112 | E104-C108 PolarHBondContact O-N 3.35Å; E104-C108 PolarHBondContact O-SG 3.41Å; I105-C108 WeakPolarHBondContact O-CB 3.3Å; I105-C108 PolarHBondContact O-N 3.1Å; I105-C108 VanDerWaalsContact O-N 3.16Å; E106-C108 VanDerWaalsContact C-N 3.31Å; E106-C108 PolarHBondContact O-N 3.35Å; C108-D111 PolarHBondContact O-N 3.32Å; C108-L112 PolarHBondContact O-N 3.34Å |
| 109 | I | 78.2 | Confident | 80 | Confident | 103 Ų | 103 | 98.3 Ų | 98.3 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 175.6 | -67.3 | 166.6 | 0 | 0 | 0 | 110.1 | I105 E106 R107 D111 L112 | I105-I109 HydrophobicContact CG2-CD1 4.05Å; I105-I109 WeakPolarHBondContact O-CG1 3.48Å; I105-I109 PolarHBondContact O-N 3.15Å; E106-I109 WeakPolarHBondContact O-CB 3.14Å; E106-I109 PolarHBondContact O-N 3.31Å; E106-I109 VanDerWaalsContact O-N 3.09Å; R107-I109 VanDerWaalsContact C-N 3.32Å; R107-I109 PolarHBondContact O-N 3.47Å; I109-D111 PolarHBondContact O-N 2.96Å; I109-L112 WeakPolarHBondContact O-CB 3.49Å; I109-L112 PolarHBondContact O-N 3.16Å; I109-L112 VanDerWaalsContact O-N 3.1Å |
| 110 | D | 82.1 | Confident | 81.1 | Confident | 123 Ų | 123 | 100.2 Ų | 100.2 | 66% | 0.658 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.7 | -26.3 | 176.1 | -72.6 | -22.7 | 0 | 0 | 0 | 113.2 | E106 R107 P113 | E106-D110 PolarHBondContact O-N 3.09Å; R107-D110 PolarHBondContact O-N 3.49Å; D110-P113 WeakPolarHBondContact O-CD 3.43Å |
| 111 | D | 80.3 | Confident | 82 | Confident | 82 Ų | 82 | 99.2 Ų | 99.2 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -10.8 | 175.3 | -76.2 | -26.5 | 0 | 0 | 0 | 114 | R107 C108 I109 P113 Q114 H115 | R107-D111 PolarHBondContact O-N 2.98Å; R107-D111 VanDerWaalsContact O-N 3.15Å; C108-D111 PolarHBondContact O-N 3.32Å; I109-D111 PolarHBondContact O-N 2.96Å; D111-P113 VanDerWaalsContact C-N 3.33Å; D111-Q114 WeakPolarHBondContact O-CA 3.27Å; D111-Q114 VanDerWaalsContact O-CB 3.27Å; D111-Q114 WeakPolarHBondContact O-CB 3.27Å; D111-Q114 PolarHBondContact O-N 3.43Å; D111-Q114 PolarHBondContact OD1-NE2 3.3Å; D111-Q114 VanDerWaalsContact OD1-NE2 3.15Å; D111-H115 PolarHBondContact O-N 3.08Å |
| 112 | L | 77.8 | Confident | 82.2 | Confident | 88 Ų | 88 | 107.2 Ų | 107.2 | 46% | 0.461 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -55.1 | -38.1 | 178.8 | -168.2 | 67.4 | 0 | 0 | 0 | 114 | C108 I109 Q114 H115 R116 | C108-L112 PolarHBondContact O-N 3.34Å; I109-L112 WeakPolarHBondContact O-CB 3.49Å; I109-L112 PolarHBondContact O-N 3.16Å; I109-L112 VanDerWaalsContact O-N 3.1Å; L112-Q114 PolarHBondContact O-N 3.47Å; L112-H115 PolarHBondContact O-N 3.18Å; L112-R116 PolarHBondContact O-N 2.94Å |
| 113 | P | 82.1 | Confident | 82.4 | Confident | 73 Ų | 73 | 106.1 Ų | 106.1 | 47% | 0.474 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.2 | -33.2 | 171.9 | -23.6 | 35.3 | 0 | 0 | 0 | 113.2 | D110 D111 R116 N117 | D110-P113 WeakPolarHBondContact O-CD 3.43Å; D111-P113 VanDerWaalsContact C-N 3.33Å; P113-R116 PolarHBondContact O-N 3.44Å; P113-N117 PolarHBondContact O-N 2.94Å; P113-N117 PolarHBondContact O-ND2 2.84Å |
| 114 | Q | 81.6 | Confident | 82.6 | Confident | 133 Ų | 133 | 107.2 Ų | 107.2 | 62% | 0.621 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.9 | -44.7 | 177.4 | -56.5 | -175.2 | 16.6 | 0 | 0 | 110.7 | D111 L112 R116 N117 A118 | D111-Q114 WeakPolarHBondContact O-CA 3.27Å; D111-Q114 VanDerWaalsContact O-CB 3.27Å; D111-Q114 WeakPolarHBondContact O-CB 3.27Å; D111-Q114 PolarHBondContact O-N 3.43Å; D111-Q114 PolarHBondContact OD1-NE2 3.3Å; D111-Q114 VanDerWaalsContact OD1-NE2 3.15Å; L112-Q114 PolarHBondContact O-N 3.47Å; Q114-R116 VanDerWaalsContact C-N 3.33Å; Q114-R116 PolarHBondContact O-N 3.3Å; Q114-N117 CarbonylContact O-C 3.52Å; Q114-N117 PolarHBondContact O-N 3.03Å; Q114-N117 VanDerWaalsContact O-N 3.15Å; Q114-A118 PolarHBondContact O-N 3.46Å |
| 115 | H | 77.8 | Confident | 82.9 | Confident | 115 Ų | 115 | 106 Ų | 106 | 53% | 0.532 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 177.6 | -173.8 | -85.5 | 0 | 0 | 0 | 112.4 | D111 L112 N117 A118 | D111-H115 PolarHBondContact O-N 3.08Å; L112-H115 PolarHBondContact O-N 3.18Å; H115-N117 VanDerWaalsContact C-N 3.26Å; H115-N117 PolarHBondContact O-N 2.95Å; H115-A118 PolarHBondContact O-N 3.45Å |
| 116 | R | 82.4 | Confident | 83.3 | Confident | 152 Ų | 152 | 102.8 Ų | 102.8 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -31.5 | 175.3 | -75.4 | -175 | 173.8 | -175.3 | -0.4 | 113 | L112 P113 Q114 S127 A128 | L112-R116 PolarHBondContact O-N 2.94Å; P113-R116 PolarHBondContact O-N 3.44Å; Q114-R116 VanDerWaalsContact C-N 3.33Å; Q114-R116 PolarHBondContact O-N 3.3Å; R116-S127 PolarHBondContact O-N 3Å; R116-A128 WeakPolarHBondContact O-CB 3.47Å; R116-A128 PolarHBondContact O-N 3.43Å |
| 117 | N | 86.3 | Confident | 83.3 | Confident | 103 Ų | 103 | 99.5 Ų | 99.5 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -94.8 | -12.7 | -179 | -68.2 | -49.9 | 0 | 0 | 0 | 113.6 | P113 Q114 H115 K119 S126 | P113-N117 PolarHBondContact O-N 2.94Å; P113-N117 PolarHBondContact O-ND2 2.84Å; Q114-N117 CarbonylContact O-C 3.52Å; Q114-N117 PolarHBondContact O-N 3.03Å; Q114-N117 VanDerWaalsContact O-N 3.15Å; H115-N117 VanDerWaalsContact C-N 3.26Å; H115-N117 PolarHBondContact O-N 2.95Å; N117-K119 PolarHBondContact O-N 2.87Å; N117-S126 VanDerWaalsContact O-CB 3.27Å; N117-S126 WeakPolarHBondContact O-CB 3.34Å |
| 118 | A | 85.2 | Confident | 83.3 | Confident | 53 Ų | 53 | 94.7 Ų | 94.7 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -60.8 | 134.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q114 H115 S126 | Q114-A118 PolarHBondContact O-N 3.46Å; H115-A118 PolarHBondContact O-N 3.45Å; A118-S126 WeakPolarHBondContact O-CA 3.47Å; A118-S126 WeakPolarHBondContact O-CB 3.44Å |
| 119 | K | 87.7 | Confident | 83.7 | Confident | 169 Ų | 169 | 98.1 Ų | 98.1 | 74% | 0.735 | 50% | 0.5 | S | S | * | . | B | Isolated β-bridge | trans | -73.4 | 129.1 | 177.5 | -67.5 | -178.3 | -179.8 | 178.9 | 0 | 109.4 | N117 | N117-K119 PolarHBondContact O-N 2.87Å |
| 120 | N | 83.1 | Confident | 83.9 | Confident | 70 Ų | 70 | 96.4 Ų | 96.4 | 37% | 0.374 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 131.1 | 171.3 | -177.9 | -44.1 | 0 | 0 | 0 | 109.1 | R122 T123 H124 D125 | N120-R122 PolarHBondContact O-N 3.21Å; N120-R122 WeakPolarHBondContact OD1-CA 3.47Å; N120-R122 VanDerWaalsContact OD1-CB 3.27Å; N120-R122 WeakPolarHBondContact OD1-CB 3.16Å; N120-R122 PolarHBondContact OD1-N 3Å; N120-T123 WeakPolarHBondContact CB-OG1 3.35Å; N120-T123 PolarHBondContact O-N 3.42Å; N120-H124 WeakPolarHBondContact O-CA 3.41Å; N120-H124 PolarHBondContact O-N 2.85Å; N120-D125 WeakPolarHBondContact CB-O 3.39Å; N120-D125 PolarHBondContact N-O 3.49Å |
| 121 | S | 86.7 | Confident | 83.8 | Confident | 109 Ų | 109 | 97 Ų | 97 | 76% | 0.762 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -23.6 | -178.9 | 56.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 122 | R | 84.9 | Confident | 83.8 | Confident | 220 Ų | 220 | 100.1 Ų | 100.1 | 83% | 0.83 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -40.5 | -178.2 | -174.3 | 179 | 174.2 | -171 | -2.9 | 113.1 | N120 | N120-R122 PolarHBondContact O-N 3.21Å; N120-R122 WeakPolarHBondContact OD1-CA 3.47Å; N120-R122 VanDerWaalsContact OD1-CB 3.27Å; N120-R122 WeakPolarHBondContact OD1-CB 3.16Å; N120-R122 PolarHBondContact OD1-N 3Å |
| 123 | T | 86.6 | Confident | 83.8 | Confident | 62 Ų | 62 | 98.7 Ų | 98.7 | 38% | 0.38 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -12.7 | -177.2 | 60.7 | 0 | 0 | 0 | 0 | 113.1 | N120 D125 | N120-T123 WeakPolarHBondContact CB-OG1 3.35Å; N120-T123 PolarHBondContact O-N 3.42Å; T123-D125 PolarHBondContact O-N 2.89Å; T123-D125 PolarHBondContact OG1-N 3.32Å |
| 124 | H | 89.2 | Confident | 83.5 | Confident | 138 Ų | 138 | 98.3 Ų | 98.3 | 64% | 0.639 | 49% | 0.494 | S | S | * | . | S | Bend | trans | 58.6 | 5.6 | -169.7 | -61.5 | -80.3 | 0 | 0 | 0 | 115.1 | N120 | N120-H124 WeakPolarHBondContact O-CA 3.41Å; N120-H124 PolarHBondContact O-N 2.85Å |
| 125 | D | 86.9 | Confident | 83.1 | Confident | 48 Ų | 48 | 95.6 Ų | 95.6 | 26% | 0.257 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -105.2 | 151.1 | 177.7 | -73.7 | -40.2 | 0 | 0 | 0 | 111.2 | N120 T123 K129 L130 | N120-D125 WeakPolarHBondContact CB-O 3.39Å; N120-D125 PolarHBondContact N-O 3.49Å; T123-D125 PolarHBondContact O-N 2.89Å; T123-D125 PolarHBondContact OG1-N 3.32Å; D125-K129 HydrophobicContact CB-CD 4.32Å; D125-K129 VanDerWaalsContact OD1-CD 3.32Å; D125-K129 WeakPolarHBondContact OD1-CD 3.4Å; D125-K129 WeakPolarHBondContact OD1-CE 3.16Å; D125-K129 IonicContact OD1-NZ 2.69Å; D125-K129 PolarHBondContact OD1-NZ 3.4Å; D125-L130 HydrophobicContact CB-CD2 4.05Å; D125-L130 HydrophobicContact CB-CG 4.12Å |
| 126 | S | 88.6 | Confident | 82.7 | Confident | 19 Ų | 19 | 93.6 Ų | 93.6 | 13% | 0.133 | 48% | 0.475 | C | S | . | . | B | Isolated β-bridge | trans | -82.9 | 152.5 | 174.3 | 70.5 | 0 | 0 | 0 | 0 | 111.6 | N117 A118 A128 K129 L130 | N117-S126 VanDerWaalsContact O-CB 3.27Å; N117-S126 WeakPolarHBondContact O-CB 3.34Å; A118-S126 WeakPolarHBondContact O-CA 3.47Å; A118-S126 WeakPolarHBondContact O-CB 3.44Å; S126-A128 PolarHBondContact O-N 2.78Å; S126-K129 WeakPolarHBondContact O-CB 3.35Å; S126-K129 PolarHBondContact O-N 3.48Å; S126-K129 WeakPolarHBondContact OG-CB 3.49Å; S126-K129 PolarHBondContact OG-N 3.45Å; S126-L130 PolarHBondContact O-N 3.36Å |
| 127 | S | 81.3 | Confident | 82.3 | Confident | 58 Ų | 58 | 92.4 Ų | 92.4 | 41% | 0.406 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56.3 | -36.4 | 175.3 | -61 | 0 | 0 | 0 | 0 | 111.9 | R116 L130 F131 | R116-S127 PolarHBondContact O-N 3Å; S127-L130 PolarHBondContact O-N 3.37Å; S127-F131 VanDerWaalsContact O-CB 3.3Å; S127-F131 WeakPolarHBondContact O-CB 3.3Å; S127-F131 PolarHBondContact O-N 2.99Å |
| 128 | A | 83.3 | Confident | 81.3 | Confident | 23 Ų | 23 | 90.5 Ų | 90.5 | 19% | 0.19 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R116 S126 K132 | R116-A128 WeakPolarHBondContact O-CB 3.47Å; R116-A128 PolarHBondContact O-N 3.43Å; S126-A128 PolarHBondContact O-N 2.78Å; A128-K132 WeakPolarHBondContact O-CB 3.48Å; A128-K132 VanDerWaalsContact O-CG 3.32Å; A128-K132 WeakPolarHBondContact O-CG 3.4Å; A128-K132 PolarHBondContact O-N 3.33Å |
| 129 | K | 85.5 | Confident | 80.3 | Confident | 119 Ų | 119 | 93.5 Ų | 93.5 | 52% | 0.517 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 176.8 | -173.2 | 178.4 | 171.6 | -165 | 0 | 111.2 | D125 S126 F131 K132 S133 | D125-K129 HydrophobicContact CB-CD 4.32Å; D125-K129 VanDerWaalsContact OD1-CD 3.32Å; D125-K129 WeakPolarHBondContact OD1-CD 3.4Å; D125-K129 WeakPolarHBondContact OD1-CE 3.16Å; D125-K129 IonicContact OD1-NZ 2.69Å; D125-K129 PolarHBondContact OD1-NZ 3.4Å; S126-K129 WeakPolarHBondContact O-CB 3.35Å; S126-K129 PolarHBondContact O-N 3.48Å; S126-K129 WeakPolarHBondContact OG-CB 3.49Å; S126-K129 PolarHBondContact OG-N 3.45Å; K129-F131 VanDerWaalsContact C-N 3.34Å; K129-F131 PolarHBondContact O-N 2.89Å; K129-K132 PolarHBondContact O-N 2.85Å; K129-S133 PolarHBondContact O-N 2.7Å; K129-S133 PolarHBondContact O-OG 2.78Å |
| 130 | L | 83.2 | Confident | 79.1 | Confident | 67 Ų | 67 | 88.5 Ų | 88.5 | 35% | 0.351 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 176.9 | -66.1 | 177.8 | 0 | 0 | 0 | 112.3 | D125 S126 S127 S133 C134 | D125-L130 HydrophobicContact CB-CD2 4.05Å; D125-L130 HydrophobicContact CB-CG 4.12Å; S126-L130 PolarHBondContact O-N 3.36Å; S127-L130 PolarHBondContact O-N 3.37Å; L130-S133 WeakPolarHBondContact CA-OG 3.25Å; L130-S133 PolarHBondContact O-N 3.33Å; L130-S133 PolarHBondContact O-OG 2.79Å; L130-C134 WeakPolarHBondContact O-CB 3.18Å; L130-C134 PolarHBondContact O-N 3.03Å |
| 131 | F | 80.4 | Confident | 78.1 | Confident | 137 Ų | 137 | 90.1 Ų | 90.1 | 60% | 0.601 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.3 | -45.4 | 175.4 | -175.7 | -98.2 | 0 | 0 | 0 | 111 | S127 K129 S133 C134 M135 | S127-F131 VanDerWaalsContact O-CB 3.3Å; S127-F131 WeakPolarHBondContact O-CB 3.3Å; S127-F131 PolarHBondContact O-N 2.99Å; K129-F131 VanDerWaalsContact C-N 3.34Å; K129-F131 PolarHBondContact O-N 2.89Å; F131-S133 PolarHBondContact O-N 2.83Å; F131-C134 PolarHBondContact O-N 3.35Å; F131-M135 HydrophobicContact CD1-CG 4.03Å; F131-M135 HydrophobicContact CE1-CG 3.64Å; F131-M135 HydrophobicContact CE1-SD 4.39Å; F131-M135 HydrophobicContact CE2-CG 4.24Å; F131-M135 HydrophobicContact CE2-SD 4.41Å; F131-M135 HydrophobicContact CG-CG 4.48Å; F131-M135 HydrophobicContact CZ-CG 3.76Å; F131-M135 HydrophobicContact CZ-SD 3.97Å; F131-M135 WeakPolarHBondContact O-CB 3.32Å; F131-M135 VanDerWaalsContact O-CG 3.25Å; F131-M135 WeakPolarHBondContact O-CG 3.5Å; F131-M135 PolarHBondContact O-N 3.37Å |
| 132 | K | 80.1 | Confident | 76.7 | Confident | 147 Ų | 147 | 91 Ų | 91 | 64% | 0.639 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60.3 | -45.2 | 174.8 | -73.8 | 177.7 | -178.6 | -174.5 | 0 | 111.6 | A128 K129 M135 L136 | A128-K132 WeakPolarHBondContact O-CB 3.48Å; A128-K132 VanDerWaalsContact O-CG 3.32Å; A128-K132 WeakPolarHBondContact O-CG 3.4Å; A128-K132 PolarHBondContact O-N 3.33Å; K129-K132 PolarHBondContact O-N 2.85Å; K132-M135 PolarHBondContact O-N 3.42Å; K132-L136 WeakPolarHBondContact O-CB 3.25Å; K132-L136 VanDerWaalsContact O-CG 3.22Å; K132-L136 WeakPolarHBondContact O-CG 3.22Å; K132-L136 PolarHBondContact O-N 3.44Å |
| 133 | S | 76.8 | Confident | 75.4 | Confident | 58 Ų | 58 | 87.5 Ų | 87.5 | 41% | 0.406 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 178.2 | 66.7 | 0 | 0 | 0 | 0 | 112.2 | K129 L130 F131 L136 Q137 | K129-S133 PolarHBondContact O-N 2.7Å; K129-S133 PolarHBondContact O-OG 2.78Å; L130-S133 WeakPolarHBondContact CA-OG 3.25Å; L130-S133 PolarHBondContact O-N 3.33Å; L130-S133 PolarHBondContact O-OG 2.79Å; F131-S133 PolarHBondContact O-N 2.83Å; S133-L136 PolarHBondContact O-N 3.15Å; S133-Q137 VanDerWaalsContact O-CB 3.25Å; S133-Q137 WeakPolarHBondContact O-CB 3.36Å; S133-Q137 PolarHBondContact O-N 3.13Å |
| 134 | C | 76.8 | Confident | 73.8 | Confident | 65 Ų | 65 | 90.6 Ų | 90.6 | 44% | 0.439 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 176.4 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | L130 F131 Q137 T138 | L130-C134 WeakPolarHBondContact O-CB 3.18Å; L130-C134 PolarHBondContact O-N 3.03Å; F131-C134 PolarHBondContact O-N 3.35Å; C134-Q137 PolarHBondContact O-N 3.31Å; C134-T138 WeakPolarHBondContact O-CB 3.11Å; C134-T138 PolarHBondContact O-N 2.88Å; C134-T138 PolarHBondContact O-OG1 3Å |
| 135 | M | 72.2 | Confident | 72.4 | Confident | 76 Ų | 76 | 85.4 Ų | 85.4 | 37% | 0.374 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 174.2 | -74 | -62 | -67.9 | 0 | 0 | 110.8 | F131 K132 T138 H139 | F131-M135 HydrophobicContact CD1-CG 4.03Å; F131-M135 HydrophobicContact CE1-CG 3.64Å; F131-M135 HydrophobicContact CE1-SD 4.39Å; F131-M135 HydrophobicContact CE2-CG 4.24Å; F131-M135 HydrophobicContact CE2-SD 4.41Å; F131-M135 HydrophobicContact CG-CG 4.48Å; F131-M135 HydrophobicContact CZ-CG 3.76Å; F131-M135 HydrophobicContact CZ-SD 3.97Å; F131-M135 WeakPolarHBondContact O-CB 3.32Å; F131-M135 VanDerWaalsContact O-CG 3.25Å; F131-M135 WeakPolarHBondContact O-CG 3.5Å; F131-M135 PolarHBondContact O-N 3.37Å; K132-M135 PolarHBondContact O-N 3.42Å; M135-T138 PolarHBondContact O-N 3.01Å; M135-H139 WeakPolarHBondContact CE-NE2 3.32Å; M135-H139 WeakPolarHBondContact O-CB 3.47Å; M135-H139 PolarHBondContact O-CD2 2.77Å; M135-H139 PolarHBondContact O-N 3.37Å |
| 136 | L | 70.4 | Confident | 71.4 | Confident | 72 Ų | 72 | 84.1 Ų | 84.1 | 38% | 0.377 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59 | -49.6 | 174.5 | -71.8 | 172.6 | 0 | 0 | 0 | 110.7 | K132 S133 T138 H139 L140 L174 | K132-L136 WeakPolarHBondContact O-CB 3.25Å; K132-L136 VanDerWaalsContact O-CG 3.22Å; K132-L136 WeakPolarHBondContact O-CG 3.22Å; K132-L136 PolarHBondContact O-N 3.44Å; S133-L136 PolarHBondContact O-N 3.15Å; L136-T138 PolarHBondContact O-N 3.04Å; L136-H139 PolarHBondContact O-N 3.12Å; L136-L140 HydrophobicContact CB-CD1 4.28Å; L136-L140 WeakPolarHBondContact O-CB 3.02Å; L136-L140 WeakPolarHBondContact O-CD1 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.13Å; L136-L140 PolarHBondContact O-N 3.08Å; L136-L174 HydrophobicContact CD2-CD2 3.69Å |
| 137 | Q | 72.8 | Confident | 70.8 | Confident | 127 Ų | 127 | 87.9 Ų | 87.9 | 59% | 0.593 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -59.9 | -44.5 | 178.9 | -173.5 | 177.6 | 12 | 0 | 0 | 111.7 | S133 C134 L140 V141 | S133-Q137 VanDerWaalsContact O-CB 3.25Å; S133-Q137 WeakPolarHBondContact O-CB 3.36Å; S133-Q137 PolarHBondContact O-N 3.13Å; C134-Q137 PolarHBondContact O-N 3.31Å; Q137-L140 PolarHBondContact O-N 3.13Å; Q137-V141 HydrophobicContact CG-CG2 4Å; Q137-V141 WeakPolarHBondContact O-CB 3.33Å; Q137-V141 WeakPolarHBondContact O-CG2 3.18Å; Q137-V141 PolarHBondContact O-N 2.66Å |
| 138 | T | 66.6 | Low | 70.9 | Confident | 63 Ų | 63 | 85.2 Ų | 85.2 | 39% | 0.387 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.7 | -40.7 | -179.2 | -49.4 | 0 | 0 | 0 | 0 | 110.8 | C134 M135 L136 N142 | C134-T138 WeakPolarHBondContact O-CB 3.11Å; C134-T138 PolarHBondContact O-N 2.88Å; C134-T138 PolarHBondContact O-OG1 3Å; M135-T138 PolarHBondContact O-N 3.01Å; L136-T138 PolarHBondContact O-N 3.04Å; T138-N142 VanDerWaalsContact O-CB 3.26Å; T138-N142 WeakPolarHBondContact O-CB 3.23Å; T138-N142 PolarHBondContact O-N 2.62Å |
| 139 | H | 62.8 | Low | 70.9 | Confident | 116 Ų | 116 | 89.8 Ų | 89.8 | 54% | 0.537 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.2 | -34 | 175.5 | -74.5 | -58.3 | 0 | 0 | 0 | 112.9 | M135 L136 K143 | M135-H139 WeakPolarHBondContact CE-NE2 3.32Å; M135-H139 WeakPolarHBondContact O-CB 3.47Å; M135-H139 PolarHBondContact O-CD2 2.77Å; M135-H139 PolarHBondContact O-N 3.37Å; L136-H139 PolarHBondContact O-N 3.12Å; H139-K143 WeakPolarHBondContact O-CB 3.16Å; H139-K143 PolarHBondContact O-N 3.38Å |
| 140 | L | 62.8 | Low | 71 | Confident | 65 Ų | 65 | 84.4 Ų | 84.4 | 34% | 0.34 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -74.5 | -40.3 | 177.3 | -74.3 | 167.8 | 0 | 0 | 0 | 112.7 | L136 Q137 K143 I161 | L136-L140 HydrophobicContact CB-CD1 4.28Å; L136-L140 WeakPolarHBondContact O-CB 3.02Å; L136-L140 WeakPolarHBondContact O-CD1 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.13Å; L136-L140 PolarHBondContact O-N 3.08Å; Q137-L140 PolarHBondContact O-N 3.13Å; L140-K143 VanDerWaalsContact O-O 3.05Å; L140-I161 HydrophobicContact CD1-CD1 4.37Å; L140-I161 HydrophobicContact CD2-CB 4.41Å; L140-I161 HydrophobicContact CD2-CD1 3.4Å; L140-I161 HydrophobicContact CD2-CG1 4.35Å; L140-I161 HydrophobicContact CD2-CG2 3.37Å |
| 141 | V | 61.2 | Low | 71 | Confident | 103 Ų | 103 | 85.8 Ų | 85.8 | 62% | 0.624 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -77.3 | -39 | -177.6 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | Q137 | Q137-V141 HydrophobicContact CG-CG2 4Å; Q137-V141 WeakPolarHBondContact O-CB 3.33Å; Q137-V141 WeakPolarHBondContact O-CG2 3.18Å; Q137-V141 PolarHBondContact O-N 2.66Å |
| 142 | N | 58.2 | Low | 71.2 | Confident | 129 Ų | 129 | 83.9 Ų | 83.9 | 69% | 0.69 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -88.6 | -11.6 | -177.3 | -67.7 | -13.9 | 0 | 0 | 0 | 113.9 | T138 | T138-N142 VanDerWaalsContact O-CB 3.26Å; T138-N142 WeakPolarHBondContact O-CB 3.23Å; T138-N142 PolarHBondContact O-N 2.62Å |
| 143 | K | 57.8 | Low | 71.4 | Confident | 145 Ų | 145 | 82.2 Ų | 82.2 | 63% | 0.63 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.9 | 103.5 | 178.5 | -145.3 | 171.4 | -172.8 | 171.2 | 0 | 106.1 | H139 L140 S145 | H139-K143 WeakPolarHBondContact O-CB 3.16Å; H139-K143 PolarHBondContact O-N 3.38Å; L140-K143 VanDerWaalsContact O-O 3.05Å; K143-S145 WeakPolarHBondContact O-CB 3.2Å; K143-S145 PolarHBondContact O-N 3.01Å |
| 144 | I | 53.2 | Low | 71.9 | Confident | 127 Ų | 127 | 83.2 Ų | 83.2 | 65% | 0.651 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.4 | 84.1 | 175.1 | -52.1 | 163.8 | 0 | 0 | 0 | 108.3 | F199 | I144-F199 HydrophobicContact CG2-CE2 4.44Å; I144-F199 HydrophobicContact CG2-CZ 4.02Å; I144-F199 WeakPolarHBondContact O-CE1 3.26Å; I144-F199 WeakPolarHBondContact O-CZ 3.23Å |
| 145 | S | 60.4 | Low | 72.2 | Confident | 30 Ų | 30 | 89.4 Ų | 89.4 | 21% | 0.21 | 44% | 0.441 | C | S | . | . | trans | -104.9 | 89.2 | -177.6 | -157.1 | 0 | 0 | 0 | 0 | 103.7 | K143 E147 I161 I162 | K143-S145 WeakPolarHBondContact O-CB 3.2Å; K143-S145 PolarHBondContact O-N 3.01Å; S145-E147 PolarHBondContact O-N 2.85Å; S145-I161 WeakPolarHBondContact OG-CG2 3.03Å; S145-I162 PolarHBondContact OG-N 3.18Å; S145-I162 PolarHBondContact OG-O 3.23Å | ||
| 146 | S | 65.9 | Low | 73 | Confident | 20 Ų | 20 | 91.1 Ų | 91.1 | 14% | 0.14 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -54 | 135.2 | 171.2 | 51.5 | 0 | 0 | 0 | 0 | 106.4 | L148 F199 | S146-L148 WeakPolarHBondContact O-CG 3.46Å; S146-L148 PolarHBondContact O-N 2.81Å; S146-L148 VanDerWaalsContact O-N 3.1Å; S146-F199 VanDerWaalsContact CB-CE2 3.46Å; S146-F199 VanDerWaalsContact OG-CE2 3.26Å; S146-F199 WeakPolarHBondContact OG-CE2 3.15Å; S146-F199 WeakPolarHBondContact OG-CZ 3.31Å |
| 147 | E | 75.5 | Confident | 73.8 | Confident | 99 Ų | 99 | 91.2 Ų | 91.2 | 46% | 0.463 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 118.5 | 161.5 | -174.8 | -173.1 | 146.3 | 0 | 0 | 108.4 | S145 T159 N192 | S145-E147 PolarHBondContact O-N 2.85Å; E147-T159 VanDerWaalsContact CD-CG2 3.44Å; E147-T159 HydrophobicContact CG-CG2 3.2Å; E147-T159 WeakPolarHBondContact OE1-CG2 3.07Å; E147-N192 PolarHBondContact O-ND2 3.24Å |
| 148 | L | 82.4 | Confident | 74.6 | Confident | 2 Ų | 2 | 86.6 Ų | 86.6 | 1% | 0.01 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 143.3 | -179.6 | -64.4 | 162.3 | 0 | 0 | 0 | 109.5 | S146 T159 G160 I162 V191 | S146-L148 WeakPolarHBondContact O-CG 3.46Å; S146-L148 PolarHBondContact O-N 2.81Å; S146-L148 VanDerWaalsContact O-N 3.1Å; L148-T159 WeakPolarHBondContact O-CA 3.03Å; L148-G160 PolarHBondContact N-O 3.24Å; L148-G160 PolarHBondContact O-N 2.63Å; L148-I162 HydrophobicContact CD1-CB 4.27Å; L148-I162 HydrophobicContact CD1-CD1 3.26Å; L148-I162 HydrophobicContact CD1-CG1 3.29Å; L148-V191 HydrophobicContact CD2-CB 3.86Å; L148-V191 HydrophobicContact CD2-CG1 3.85Å; L148-V191 HydrophobicContact CD2-CG2 3.58Å |
| 149 | R | 85 | Confident | 75.7 | Confident | 119 Ų | 119 | 85.2 Ų | 85.2 | 45% | 0.449 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.7 | 168 | -68.6 | -178.7 | -178 | -172 | 2.5 | 108.9 | F158 K190 N192 | R149-F158 WeakPolarHBondContact CA-O 3.19Å; R149-K190 PolarHBondContact N-O 2.9Å; R149-K190 VanDerWaalsContact N-O 3.11Å; R149-K190 PolarHBondContact O-N 2.92Å; R149-K190 VanDerWaalsContact O-O 3.05Å; R149-N192 WeakPolarHBondContact CD-OD1 3.45Å |
| 150 | Y | 85.7 | Confident | 77 | Confident | 5 Ų | 5 | 79.7 Ų | 79.7 | 2% | 0.02 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 154.1 | 175.3 | 72.6 | -82.8 | 0 | 0 | 0 | 109.7 | F158 I173 D175 L189 | Y150-F158 HydrophobicContact CD1-CB 4.01Å; Y150-F158 HydrophobicContact CD2-CB 4.44Å; Y150-F158 HydrophobicContact CE1-CB 3.48Å; Y150-F158 VanDerWaalsContact CE1-CB 3.48Å; Y150-F158 HydrophobicContact CE2-CB 3.99Å; Y150-F158 HydrophobicContact CG-CB 4.45Å; Y150-F158 VanDerWaalsContact CZ-CB 3.48Å; Y150-F158 PolarHBondContact N-O 3.39Å; Y150-F158 PolarHBondContact O-N 3.23Å; Y150-I173 HydrophobicContact CD1-CG2 4.29Å; Y150-I173 HydrophobicContact CE1-CG2 4Å; Y150-D175 PolarHBondContact OH-OD2 3.09Å; Y150-L189 HydrophobicContact CG-CD2 4.44Å |
| 151 | Y | 83.9 | Confident | 78.3 | Confident | 97 Ų | 97 | 77.7 Ų | 77.7 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.2 | -179.1 | -65.8 | -95.2 | 0 | 0 | 0 | 108.6 | Y155 P157 K190 | Y151-Y155 WeakPolarHBondContact CD1-O 3.33Å; Y151-P157 HydrophobicContact CD1-CB 4.33Å; Y151-P157 HydrophobicContact CE1-CB 3.91Å; Y151-K190 HydrophobicContact CE2-CD 3.91Å; Y151-K190 HydrophobicContact CE2-CG 4.36Å |
| 152 | K | 85.1 | Confident | 79.6 | Confident | 96 Ų | 96 | 74.5 Ų | 74.5 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | trans | -78.4 | 172.3 | 168 | -177 | 177.3 | -177.6 | -175.6 | 0 | 109 | D154 Y155 Q156 F158 | K152-D154 VanDerWaalsContact CB-OD1 3.23Å; K152-D154 WeakPolarHBondContact CB-OD1 3.33Å; K152-D154 PolarHBondContact O-N 2.88Å; K152-Y155 PolarHBondContact O-N 3.02Å; K152-Q156 PolarHBondContact N-O 3.35Å; K152-F158 HydrophobicContact CB-CD2 3.84Å; K152-F158 HydrophobicContact CB-CE2 3.68Å; K152-F158 HydrophobicContact CD-CE2 3.77Å; K152-F158 HydrophobicContact CD-CZ 4.17Å; K152-F158 HydrophobicContact CG-CE2 4.4Å | ||
| 153 | S | 84.4 | Confident | 81.1 | Confident | 113 Ų | 113 | 71.9 Ų | 71.9 | 79% | 0.79 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -20.9 | -179.2 | 52.6 | 0 | 0 | 0 | 0 | 114.4 | Y155 | S153-Y155 VanDerWaalsContact C-N 3.31Š|
| 154 | D | 87.1 | Confident | 82.5 | Confident | 78 Ų | 78 | 69.9 Ų | 69.9 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 7.2 | 176.6 | 51.7 | 12.2 | 0 | 0 | 0 | 113.3 | K152 Q156 | K152-D154 VanDerWaalsContact CB-OD1 3.23Å; K152-D154 WeakPolarHBondContact CB-OD1 3.33Å; K152-D154 PolarHBondContact O-N 2.88Å; D154-Q156 PolarHBondContact O-N 2.81Å; D154-Q156 VanDerWaalsContact O-N 3.1Å; D154-Q156 WeakPolarHBondContact OD1-CB 3.12Å; D154-Q156 PolarHBondContact OD1-N 3.1Å |
| 155 | Y | 82.6 | Confident | 84.2 | Confident | 196 Ų | 196 | 69.1 Ų | 69.1 | 77% | 0.769 | 33% | 0.333 | S | S | * | . | trans | 60 | 12.6 | -175.5 | -56.7 | -89 | 0 | 0 | 0 | 114.3 | Y151 K152 S153 | Y151-Y155 WeakPolarHBondContact CD1-O 3.33Å; K152-Y155 PolarHBondContact O-N 3.02Å; S153-Y155 VanDerWaalsContact C-N 3.31Å | ||
| 156 | Q | 88.3 | Confident | 85.4 | Confident | 111 Ų | 111 | 71.2 Ų | 71.2 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | trans | -75 | 126.5 | 172.5 | -172.5 | 167.8 | 7.5 | 0 | 0 | 108.5 | K152 D154 F158 | K152-Q156 PolarHBondContact N-O 3.35Å; D154-Q156 PolarHBondContact O-N 2.81Å; D154-Q156 VanDerWaalsContact O-N 3.1Å; D154-Q156 WeakPolarHBondContact OD1-CB 3.12Å; D154-Q156 PolarHBondContact OD1-N 3.1Å; Q156-F158 HydrophobicContact CB-CD2 4.5Å; Q156-F158 HydrophobicContact CB-CE2 3.86Å; Q156-F158 HydrophobicContact CG-CE2 3.96Å; Q156-F158 HydrophobicContact CG-CZ 4.31Å; Q156-F158 VanDerWaalsContact O-CD2 3.28Å; Q156-F158 WeakPolarHBondContact O-CD2 3.4Å; Q156-F158 PolarHBondContact O-N 3.19Å | ||
| 157 | P | 87.1 | Confident | 86 | Confident | 75 Ų | 75 | 72.8 Ų | 72.8 | 49% | 0.487 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 129.6 | 174.6 | 29 | -32.3 | 0 | 0 | 0 | 109.1 | Y151 | Y151-P157 HydrophobicContact CD1-CB 4.33Å; Y151-P157 HydrophobicContact CE1-CB 3.91Å |
| 158 | F | 89.7 | Confident | 86.6 | Confident | 29 Ų | 29 | 71.1 Ų | 71.1 | 13% | 0.127 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 149.1 | 171.8 | -75.9 | -91.8 | 0 | 0 | 0 | 109.8 | R149 Y150 K152 Q156 D175 | R149-F158 WeakPolarHBondContact CA-O 3.19Å; Y150-F158 HydrophobicContact CD1-CB 4.01Å; Y150-F158 HydrophobicContact CD2-CB 4.44Å; Y150-F158 HydrophobicContact CE1-CB 3.48Å; Y150-F158 VanDerWaalsContact CE1-CB 3.48Å; Y150-F158 HydrophobicContact CE2-CB 3.99Å; Y150-F158 HydrophobicContact CG-CB 4.45Å; Y150-F158 VanDerWaalsContact CZ-CB 3.48Å; Y150-F158 PolarHBondContact N-O 3.39Å; Y150-F158 PolarHBondContact O-N 3.23Å; K152-F158 HydrophobicContact CB-CD2 3.84Å; K152-F158 HydrophobicContact CB-CE2 3.68Å; K152-F158 HydrophobicContact CD-CE2 3.77Å; K152-F158 HydrophobicContact CD-CZ 4.17Å; K152-F158 HydrophobicContact CG-CE2 4.4Å; Q156-F158 HydrophobicContact CB-CD2 4.5Å; Q156-F158 HydrophobicContact CB-CE2 3.86Å; Q156-F158 HydrophobicContact CG-CE2 3.96Å; Q156-F158 HydrophobicContact CG-CZ 4.31Å; Q156-F158 VanDerWaalsContact O-CD2 3.28Å; Q156-F158 WeakPolarHBondContact O-CD2 3.4Å; Q156-F158 PolarHBondContact O-N 3.19Å; F158-D175 VanDerWaalsContact CD1-OD2 3.23Å; F158-D175 WeakPolarHBondContact CD1-OD2 3.44Å |
| 159 | T | 90.3 | Very high | 86.9 | Confident | 35 Ų | 35 | 74.6 Ų | 74.6 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.4 | 175.3 | -62.3 | 0 | 0 | 0 | 0 | 109 | E147 L148 L176 | E147-T159 VanDerWaalsContact CD-CG2 3.44Å; E147-T159 HydrophobicContact CG-CG2 3.2Å; E147-T159 WeakPolarHBondContact OE1-CG2 3.07Å; L148-T159 WeakPolarHBondContact O-CA 3.03Å; T159-L176 HydrophobicContact CG2-CD1 3.81Å; T159-L176 PolarHBondContact O-N 3.47Å; T159-L176 VanDerWaalsContact O-N 3.13Å |
| 160 | G | 90.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 171.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L148 L174 | L148-G160 PolarHBondContact N-O 3.24Å; L148-G160 PolarHBondContact O-N 2.63Å; G160-L174 CarbonylContact C-O 3.57Å; G160-L174 WeakPolarHBondContact CA-O 3.17Å |
| 161 | I | 89.7 | Confident | 87.6 | Confident | 22 Ų | 22 | 72.3 Ų | 72.3 | 11% | 0.113 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 130.8 | -176.3 | -63.2 | -169 | 0 | 0 | 0 | 108.3 | L140 S145 I163 I173 L174 L176 | L140-I161 HydrophobicContact CD1-CD1 4.37Å; L140-I161 HydrophobicContact CD2-CB 4.41Å; L140-I161 HydrophobicContact CD2-CD1 3.4Å; L140-I161 HydrophobicContact CD2-CG1 4.35Å; L140-I161 HydrophobicContact CD2-CG2 3.37Å; S145-I161 WeakPolarHBondContact OG-CG2 3.03Å; I161-I163 PolarHBondContact O-N 3.35Å; I161-I173 CarbonylContact O-C 3.53Å; I161-I173 VanDerWaalsContact O-CA 3.32Å; I161-I173 WeakPolarHBondContact O-CA 3.28Å; I161-L174 PolarHBondContact N-O 2.82Å; I161-L174 PolarHBondContact O-N 2.8Å; I161-L176 HydrophobicContact CD1-CD1 4.1Å; I161-L176 HydrophobicContact CD1-CD2 3.65Å; I161-L176 HydrophobicContact CD1-CG 4.29Å; I161-L176 HydrophobicContact CG1-CD1 4.16Å; I161-L176 HydrophobicContact CG1-CD2 3.89Å; I161-L176 HydrophobicContact CG1-CG 4.17Å |
| 162 | I | 88.9 | Confident | 88 | Confident | 37 Ų | 37 | 71.6 Ų | 71.6 | 19% | 0.19 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 120.1 | 172.9 | -73 | 163.5 | 0 | 0 | 0 | 108.6 | S145 L148 V171 I173 L189 | S145-I162 PolarHBondContact OG-N 3.18Å; S145-I162 PolarHBondContact OG-O 3.23Å; L148-I162 HydrophobicContact CD1-CB 4.27Å; L148-I162 HydrophobicContact CD1-CD1 3.26Å; L148-I162 HydrophobicContact CD1-CG1 3.29Å; I162-V171 HydrophobicContact CD1-CB 4.41Å; I162-V171 HydrophobicContact CD1-CG1 4.29Å; I162-V171 HydrophobicContact CD1-CG2 4.3Å; I162-V171 HydrophobicContact CG1-CB 4.21Å; I162-V171 HydrophobicContact CG1-CG2 4.09Å; I162-V171 HydrophobicContact CG2-CB 4.37Å; I162-I173 HydrophobicContact CG1-CG1 4.21Å; I162-L189 HydrophobicContact CD1-CD1 4.38Å |
| 163 | I | 89.6 | Confident | 88.3 | Confident | 74 Ų | 74 | 67 Ų | 67 | 38% | 0.379 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -26.5 | 173.8 | 56.5 | 168.4 | 0 | 0 | 0 | 112 | I161 K172 L174 A181 | I161-I163 PolarHBondContact O-N 3.35Å; I163-K172 HydrophobicContact CD1-CB 4.44Å; I163-K172 HydrophobicContact CD1-CD 3.92Å; I163-K172 HydrophobicContact CD1-CG 3.94Å; I163-K172 HydrophobicContact CG1-CB 4.02Å; I163-K172 HydrophobicContact CG1-CD 4.37Å; I163-K172 HydrophobicContact CG1-CG 4.05Å; I163-K172 WeakPolarHBondContact CG1-O 3.41Å; I163-K172 PolarHBondContact N-O 2.88Å; I163-L174 HydrophobicContact CD1-CB 4.46Å; I163-L174 HydrophobicContact CG2-CB 3.61Å; I163-L174 HydrophobicContact CG2-CD2 4.34Å; I163-A181 HydrophobicContact CD1-CB 4.14Å |
| 164 | H | 87.5 | Confident | 88.7 | Confident | 102 Ų | 102 | 63 Ų | 63 | 47% | 0.472 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 147.6 | -176.8 | -171.3 | 72.7 | 0 | 0 | 0 | 111.6 | T166 V171 K172 | H164-T166 PolarHBondContact CD2-OG1 3.2Å; H164-V171 CarbonylContact O-C 3.54Å; H164-V171 WeakPolarHBondContact O-CA 3.44Å; H164-K172 HydrophobicContact CB-CB 4.02Å; H164-K172 PolarHBondContact N-O 3.11Å; H164-K172 PolarHBondContact O-N 2.81Å |
| 165 | R | 87.3 | Confident | 88.8 | Confident | 112 Ų | 112 | 59.3 Ų | 59.3 | 42% | 0.423 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 118 | 167.9 | -64.5 | -173.7 | 123.8 | 179.7 | 4.9 | 108.2 | M170 V171 | R165-M170 CarbonylContact C-O 3.58Å; R165-V171 HydrophobicContact CB-CG1 4.41Å; R165-V171 HydrophobicContact CG-CG1 3.89Å |
| 166 | T | 85.5 | Confident | 89.1 | Confident | 73 Ų | 73 | 53.4 Ų | 53.4 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | trans | -104 | 68.2 | -175.6 | -39.2 | 0 | 0 | 0 | 0 | 110.1 | H164 M170 | H164-T166 PolarHBondContact CD2-OG1 3.2Å; T166-M170 PolarHBondContact N-O 2.98Å; T166-M170 VanDerWaalsContact O-CB 3.31Å; T166-M170 WeakPolarHBondContact O-CB 3.15Å | ||
| 167 | G | 79.8 | Confident | 89.1 | Confident | 54 Ų | 54 | 53.8 Ų | 53.8 | 56% | 0.557 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 83.6 | 161.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K169 M170 | G167-K169 VanDerWaalsContact C-N 3.33Å; G167-K169 PolarHBondContact O-N 3.29Å; G167-M170 PolarHBondContact O-N 3.49Å |
| 168 | G | 87.5 | Confident | 89.3 | Confident | 64 Ų | 64 | 54.6 Ų | 54.6 | 66% | 0.66 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -36.2 | -50.1 | -155.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 169 | K | 90 | Very high | 89.2 | Confident | 75 Ų | 75 | 59.8 Ų | 59.8 | 33% | 0.326 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 13.6 | -176.8 | -57.1 | -172.1 | -179.8 | -174.2 | 0 | 114.5 | G167 H185 V186 | G167-K169 VanDerWaalsContact C-N 3.33Å; G167-K169 PolarHBondContact O-N 3.29Å; K169-H185 WeakPolarHBondContact CB-NE2 3.42Å; K169-H185 CarbonylContact O-C 3.49Å; K169-H185 VanDerWaalsContact O-CA 3.31Å; K169-H185 WeakPolarHBondContact O-CA 3.35Å; K169-H185 PolarHBondContact O-CD2 2.86Å; K169-V186 WeakPolarHBondContact O-CG2 3.38Å; K169-V186 PolarHBondContact O-N 2.75Å |
| 170 | M | 93.1 | Very high | 89.2 | Confident | 74 Ų | 74 | 59.5 Ų | 59.5 | 37% | 0.365 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 135.8 | 179.7 | -70.6 | -64.9 | -69.2 | 0 | 0 | 110.3 | R165 T166 G167 R184 H185 | R165-M170 CarbonylContact C-O 3.58Å; T166-M170 PolarHBondContact N-O 2.98Å; T166-M170 VanDerWaalsContact O-CB 3.31Å; T166-M170 WeakPolarHBondContact O-CB 3.15Å; G167-M170 PolarHBondContact O-N 3.49Å; M170-R184 WeakPolarHBondContact CA-O 3.3Å; M170-H185 HydrophobicContact SD-CB 4.11Å |
| 171 | V | 90.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 149 | 176 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | I162 H164 R165 I173 S183 R184 V186 L189 | I162-V171 HydrophobicContact CD1-CB 4.41Å; I162-V171 HydrophobicContact CD1-CG1 4.29Å; I162-V171 HydrophobicContact CD1-CG2 4.3Å; I162-V171 HydrophobicContact CG1-CB 4.21Å; I162-V171 HydrophobicContact CG1-CG2 4.09Å; I162-V171 HydrophobicContact CG2-CB 4.37Å; H164-V171 CarbonylContact O-C 3.54Å; H164-V171 WeakPolarHBondContact O-CA 3.44Å; R165-V171 HydrophobicContact CB-CG1 4.41Å; R165-V171 HydrophobicContact CG-CG1 3.89Å; V171-I173 HydrophobicContact CG2-CD1 3.95Å; V171-I173 HydrophobicContact CG2-CG1 3.82Å; V171-S183 CarbonylContact O-C 3.54Å; V171-S183 VanDerWaalsContact O-CA 3.3Å; V171-S183 WeakPolarHBondContact O-CA 3.5Å; V171-R184 PolarHBondContact N-O 3.05Å; V171-R184 PolarHBondContact O-N 2.93Å; V171-V186 HydrophobicContact CG1-CG2 3.86Å; V171-L189 HydrophobicContact CG2-CD1 3.41Å; V171-L189 VanDerWaalsContact CG2-CD1 3.41Å |
| 172 | K | 92.7 | Very high | 89.2 | Confident | 83 Ų | 83 | 63.3 Ų | 63.3 | 36% | 0.361 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 121.3 | 170.4 | -160.8 | 177.2 | -179.5 | 175.1 | 0 | 108 | I163 H164 A181 H182 | I163-K172 HydrophobicContact CD1-CB 4.44Å; I163-K172 HydrophobicContact CD1-CD 3.92Å; I163-K172 HydrophobicContact CD1-CG 3.94Å; I163-K172 HydrophobicContact CG1-CB 4.02Å; I163-K172 HydrophobicContact CG1-CD 4.37Å; I163-K172 HydrophobicContact CG1-CG 4.05Å; I163-K172 WeakPolarHBondContact CG1-O 3.41Å; I163-K172 PolarHBondContact N-O 2.88Å; H164-K172 HydrophobicContact CB-CB 4.02Å; H164-K172 PolarHBondContact N-O 3.11Å; H164-K172 PolarHBondContact O-N 2.81Å; K172-A181 HydrophobicContact CG-CB 4.38Å; K172-H182 CarbonylContact C-O 3.38Å; K172-H182 WeakPolarHBondContact CA-O 3.47Å |
| 173 | I | 91.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.9 | -176.6 | -59.1 | 172 | 0 | 0 | 0 | 107.4 | Y150 I161 I162 V171 A181 H182 R184 L189 | Y150-I173 HydrophobicContact CD1-CG2 4.29Å; Y150-I173 HydrophobicContact CE1-CG2 4Å; I161-I173 CarbonylContact O-C 3.53Å; I161-I173 VanDerWaalsContact O-CA 3.32Å; I161-I173 WeakPolarHBondContact O-CA 3.28Å; I162-I173 HydrophobicContact CG1-CG1 4.21Å; V171-I173 HydrophobicContact CG2-CD1 3.95Å; V171-I173 HydrophobicContact CG2-CG1 3.82Å; I173-A181 CarbonylContact O-C 3.54Å; I173-A181 VanDerWaalsContact O-CA 3.28Å; I173-A181 WeakPolarHBondContact O-CA 3.23Å; I173-H182 PolarHBondContact N-O 3.1Å; I173-H182 PolarHBondContact O-N 3.27Å; I173-R184 HydrophobicContact CD1-CB 4Å; I173-R184 HydrophobicContact CD1-CG 4.15Å; I173-L189 HydrophobicContact CD1-CD1 3.86Å; I173-L189 HydrophobicContact CD1-CD2 3.22Å; I173-L189 HydrophobicContact CD1-CG 4.18Å |
| 174 | L | 92 | Very high | 89.4 | Confident | 27 Ų | 27 | 64 Ų | 64 | 14% | 0.141 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 119.4 | 166.3 | -177.4 | 69.6 | 0 | 0 | 0 | 107.7 | L136 G160 I161 I163 H179 S180 | L136-L174 HydrophobicContact CD2-CD2 3.69Å; G160-L174 CarbonylContact C-O 3.57Å; G160-L174 WeakPolarHBondContact CA-O 3.17Å; I161-L174 PolarHBondContact N-O 2.82Å; I161-L174 PolarHBondContact O-N 2.8Å; I163-L174 HydrophobicContact CD1-CB 4.46Å; I163-L174 HydrophobicContact CG2-CB 3.61Å; I163-L174 HydrophobicContact CG2-CD2 4.34Å; L174-H179 WeakPolarHBondContact CD1-O 3.28Å; L174-S180 WeakPolarHBondContact CA-O 3.26Å |
| 175 | D | 90.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 135.8 | 172.1 | -166.8 | -59.9 | 0 | 0 | 0 | 109.7 | Y150 F158 D177 D178 H179 S180 | Y150-D175 PolarHBondContact OH-OD2 3.09Å; F158-D175 VanDerWaalsContact CD1-OD2 3.23Å; F158-D175 WeakPolarHBondContact CD1-OD2 3.44Å; D175-D177 WeakPolarHBondContact OD1-CB 3.32Å; D175-D177 PolarHBondContact OD1-N 2.86Å; D175-D178 WeakPolarHBondContact CB-OD1 3.33Å; D175-D178 PolarHBondContact OD1-N 3.31Å; D175-H179 WeakPolarHBondContact O-CA 3.36Å; D175-H179 PolarHBondContact O-N 3.2Å; D175-H179 VanDerWaalsContact O-N 3.15Å; D175-S180 PolarHBondContact N-O 3.25Å |
| 176 | L | 88.9 | Confident | 89.7 | Confident | 72 Ų | 72 | 57.4 Ų | 57.4 | 38% | 0.377 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -23 | -177.4 | -68 | -174.5 | 0 | 0 | 0 | 113.7 | T159 I161 | T159-L176 HydrophobicContact CG2-CD1 3.81Å; T159-L176 PolarHBondContact O-N 3.47Å; T159-L176 VanDerWaalsContact O-N 3.13Å; I161-L176 HydrophobicContact CD1-CD1 4.1Å; I161-L176 HydrophobicContact CD1-CD2 3.65Å; I161-L176 HydrophobicContact CD1-CG 4.29Å; I161-L176 HydrophobicContact CG1-CD1 4.16Å; I161-L176 HydrophobicContact CG1-CD2 3.89Å; I161-L176 HydrophobicContact CG1-CG 4.17Å |
| 177 | D | 88.4 | Confident | 89.8 | Confident | 119 Ų | 119 | 59.3 Ų | 59.3 | 64% | 0.636 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -53.9 | -177.3 | -66.8 | -36.9 | 0 | 0 | 0 | 110.2 | D175 H179 | D175-D177 WeakPolarHBondContact OD1-CB 3.32Å; D175-D177 PolarHBondContact OD1-N 2.86Å; D177-H179 PolarHBondContact O-ND1 3.39Å |
| 178 | D | 90 | Very high | 90.3 | Very high | 93 Ų | 93 | 61.7 Ų | 61.7 | 50% | 0.497 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -3.6 | -175.1 | 75.1 | 4.2 | 0 | 0 | 0 | 114.1 | D175 S180 | D175-D178 WeakPolarHBondContact CB-OD1 3.33Å; D175-D178 PolarHBondContact OD1-N 3.31Å; D178-S180 PolarHBondContact O-N 2.9Å; D178-S180 VanDerWaalsContact O-N 3.13Å; D178-S180 WeakPolarHBondContact OD1-CA 3.21Å; D178-S180 WeakPolarHBondContact OD1-CB 2.92Å; D178-S180 PolarHBondContact OD1-N 2.74Å; D178-S180 PolarHBondContact OD1-OG 2.88Å; D178-S180 PolarHBondContact OD2-OG 3.18Å; D178-S180 VanDerWaalsContact OD2-OG 3.08Å |
| 179 | H | 87.8 | Confident | 90.3 | Very high | 137 Ų | 137 | 59.7 Ų | 59.7 | 63% | 0.634 | 31% | 0.307 | S | S | * | . | trans | 58.3 | 19.3 | -177.6 | -53.5 | 69.8 | 0 | 0 | 0 | 113.5 | L174 D175 D177 | L174-H179 WeakPolarHBondContact CD1-O 3.28Å; D175-H179 WeakPolarHBondContact O-CA 3.36Å; D175-H179 PolarHBondContact O-N 3.2Å; D175-H179 VanDerWaalsContact O-N 3.15Å; D177-H179 PolarHBondContact O-ND1 3.39Å | ||
| 180 | S | 90.5 | Very high | 90 | Very high | 30 Ų | 30 | 62.3 Ų | 62.3 | 21% | 0.21 | 32% | 0.319 | C | S | . | . | trans | -83.4 | 151.6 | 177.5 | 77.5 | 0 | 0 | 0 | 0 | 110.5 | L174 D175 D178 H182 | L174-S180 WeakPolarHBondContact CA-O 3.26Å; D175-S180 PolarHBondContact N-O 3.25Å; D178-S180 PolarHBondContact O-N 2.9Å; D178-S180 VanDerWaalsContact O-N 3.13Å; D178-S180 WeakPolarHBondContact OD1-CA 3.21Å; D178-S180 WeakPolarHBondContact OD1-CB 2.92Å; D178-S180 PolarHBondContact OD1-N 2.74Å; D178-S180 PolarHBondContact OD1-OG 2.88Å; D178-S180 PolarHBondContact OD2-OG 3.18Å; D178-S180 VanDerWaalsContact OD2-OG 3.08Å; S180-H182 PolarHBondContact OG-CE1 3.16Å; S180-H182 PolarHBondContact OG-NE2 3.22Å | ||
| 181 | A | 90.7 | Very high | 89.2 | Confident | 46 Ų | 46 | 61.4 Ų | 61.4 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 129.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I163 K172 I173 | I163-A181 HydrophobicContact CD1-CB 4.14Å; K172-A181 HydrophobicContact CG-CB 4.38Å; I173-A181 CarbonylContact O-C 3.54Å; I173-A181 VanDerWaalsContact O-CA 3.28Å; I173-A181 WeakPolarHBondContact O-CA 3.23Å |
| 182 | H | 90.3 | Very high | 88.1 | Confident | 55 Ų | 55 | 63.9 Ų | 63.9 | 26% | 0.255 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138.1 | -175.4 | -64.9 | -33.9 | 0 | 0 | 0 | 111.5 | K172 I173 S180 | K172-H182 CarbonylContact C-O 3.38Å; K172-H182 WeakPolarHBondContact CA-O 3.47Å; I173-H182 PolarHBondContact N-O 3.1Å; I173-H182 PolarHBondContact O-N 3.27Å; S180-H182 PolarHBondContact OG-CE1 3.16Å; S180-H182 PolarHBondContact OG-NE2 3.22Å |
| 183 | S | 91.5 | Very high | 86.5 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 129.8 | 170.2 | -60.3 | 0 | 0 | 0 | 0 | 109.8 | V171 | V171-S183 CarbonylContact O-C 3.54Å; V171-S183 VanDerWaalsContact O-CA 3.3Å; V171-S183 WeakPolarHBondContact O-CA 3.5Å |
| 184 | R | 91.7 | Very high | 84.9 | Confident | 61 Ų | 61 | 73.3 Ų | 73.3 | 23% | 0.23 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 153.7 | 179 | -65.9 | -65.6 | -179.4 | -93.5 | -3.6 | 110.6 | M170 V171 I173 L189 | M170-R184 WeakPolarHBondContact CA-O 3.3Å; V171-R184 PolarHBondContact N-O 3.05Å; V171-R184 PolarHBondContact O-N 2.93Å; I173-R184 HydrophobicContact CD1-CB 4Å; I173-R184 HydrophobicContact CD1-CG 4.15Å; R184-L189 HydrophobicContact CB-CD2 4.19Å |
| 185 | H | 91.6 | Very high | 83.1 | Confident | 56 Ų | 56 | 73.7 Ų | 73.7 | 26% | 0.259 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 143.1 | 171.6 | -163.9 | -94.1 | 0 | 0 | 0 | 109.4 | K169 M170 D187 Q188 | K169-H185 WeakPolarHBondContact CB-NE2 3.42Å; K169-H185 CarbonylContact O-C 3.49Å; K169-H185 VanDerWaalsContact O-CA 3.31Å; K169-H185 WeakPolarHBondContact O-CA 3.35Å; K169-H185 PolarHBondContact O-CD2 2.86Å; M170-H185 HydrophobicContact SD-CB 4.11Å; H185-D187 IonicContact CE1-OD1 3.57Å; H185-D187 PolarHBondContact CE1-OD1 3.32Å; H185-D187 IonicContact CE1-OD2 3.03Å; H185-D187 PolarHBondContact CE1-OD2 2.64Å; H185-D187 WeakPolarHBondContact ND1-CB 3.39Å; H185-D187 PolarHBondContact ND1-N 2.8Å; H185-D187 IonicContact ND1-OD1 3.3Å; H185-D187 IonicContact ND1-OD2 3.49Å; H185-D187 PolarHBondContact ND1-OD2 2.82Å; H185-D187 PolarHBondContact O-N 2.94Å; H185-Q188 HydrophobicContact CB-CG 4.32Å; H185-Q188 WeakPolarHBondContact O-CB 3.39Å; H185-Q188 PolarHBondContact O-N 2.91Å |
| 186 | V | 88.7 | Confident | 81.3 | Confident | 20 Ų | 20 | 80.2 Ų | 80.2 | 12% | 0.121 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -54 | -40.2 | 178.8 | 165.3 | 0 | 0 | 0 | 0 | 111.2 | K169 V171 Q188 L189 F201 | K169-V186 WeakPolarHBondContact O-CG2 3.38Å; K169-V186 PolarHBondContact O-N 2.75Å; V171-V186 HydrophobicContact CG1-CG2 3.86Å; V186-Q188 PolarHBondContact O-N 2.98Å; V186-Q188 VanDerWaalsContact O-N 3.07Å; V186-L189 WeakPolarHBondContact O-CB 3.31Å; V186-L189 WeakPolarHBondContact O-CG 3.43Å; V186-L189 PolarHBondContact O-N 3.45Å; V186-F201 HydrophobicContact CB-CE1 4.38Å; V186-F201 HydrophobicContact CG1-CD1 4.33Å; V186-F201 HydrophobicContact CG1-CE1 3.34Å; V186-F201 HydrophobicContact CG1-CZ 3.78Å; V186-F201 HydrophobicContact CG2-CE1 4.09Å |
| 187 | D | 88.7 | Confident | 79.6 | Confident | 113 Ų | 113 | 82.2 Ų | 82.2 | 60% | 0.604 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -63.6 | -14.8 | -179.7 | -55.1 | -3.7 | 0 | 0 | 0 | 113.8 | H185 L189 | H185-D187 IonicContact CE1-OD1 3.57Å; H185-D187 PolarHBondContact CE1-OD1 3.32Å; H185-D187 IonicContact CE1-OD2 3.03Å; H185-D187 PolarHBondContact CE1-OD2 2.64Å; H185-D187 WeakPolarHBondContact ND1-CB 3.39Å; H185-D187 PolarHBondContact ND1-N 2.8Å; H185-D187 IonicContact ND1-OD1 3.3Å; H185-D187 IonicContact ND1-OD2 3.49Å; H185-D187 PolarHBondContact ND1-OD2 2.82Å; H185-D187 PolarHBondContact O-N 2.94Å; D187-L189 VanDerWaalsContact C-N 3.33Å |
| 188 | Q | 89.3 | Confident | 77.8 | Confident | 104 Ų | 104 | 83.3 Ų | 83.3 | 49% | 0.486 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -87.3 | -5.2 | 175.3 | -63.3 | 178 | -26.1 | 0 | 0 | 112.8 | H185 V186 | H185-Q188 HydrophobicContact CB-CG 4.32Å; H185-Q188 WeakPolarHBondContact O-CB 3.39Å; H185-Q188 PolarHBondContact O-N 2.91Å; V186-Q188 PolarHBondContact O-N 2.98Å; V186-Q188 VanDerWaalsContact O-N 3.07Å |
| 189 | L | 87.6 | Confident | 76.1 | Confident | 22 Ų | 22 | 81.2 Ų | 81.2 | 12% | 0.115 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134 | -174.4 | -48 | -179 | 0 | 0 | 0 | 109.9 | Y150 I162 V171 I173 R184 V186 D187 | Y150-L189 HydrophobicContact CG-CD2 4.44Å; I162-L189 HydrophobicContact CD1-CD1 4.38Å; V171-L189 HydrophobicContact CG2-CD1 3.41Å; V171-L189 VanDerWaalsContact CG2-CD1 3.41Å; I173-L189 HydrophobicContact CD1-CD1 3.86Å; I173-L189 HydrophobicContact CD1-CD2 3.22Å; I173-L189 HydrophobicContact CD1-CG 4.18Å; R184-L189 HydrophobicContact CB-CD2 4.19Å; V186-L189 WeakPolarHBondContact O-CB 3.31Å; V186-L189 WeakPolarHBondContact O-CG 3.43Å; V186-L189 PolarHBondContact O-N 3.45Å; D187-L189 VanDerWaalsContact C-N 3.33Å |
| 190 | K | 83.8 | Confident | 74.1 | Confident | 130 Ų | 130 | 77.5 Ų | 77.5 | 57% | 0.565 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 106.6 | 164.9 | -63.7 | -165.4 | -173.6 | 176.1 | 0 | 107.4 | R149 Y151 N192 | R149-K190 PolarHBondContact N-O 2.9Å; R149-K190 VanDerWaalsContact N-O 3.11Å; R149-K190 PolarHBondContact O-N 2.92Å; R149-K190 VanDerWaalsContact O-O 3.05Å; Y151-K190 HydrophobicContact CE2-CD 3.91Å; Y151-K190 HydrophobicContact CE2-CG 4.36Å; K190-N192 PolarHBondContact O-N 3.07Å |
| 191 | V | 76.4 | Confident | 72.3 | Confident | 56 Ų | 56 | 78.3 Ų | 78.3 | 34% | 0.339 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 125.3 | 168.5 | -169.4 | 0 | 0 | 0 | 0 | 106.7 | L148 E193 F199 F201 | L148-V191 HydrophobicContact CD2-CB 3.86Å; L148-V191 HydrophobicContact CD2-CG1 3.85Å; L148-V191 HydrophobicContact CD2-CG2 3.58Å; V191-E193 PolarHBondContact O-N 3.49Å; V191-E193 VanDerWaalsContact O-N 3.09Å; V191-F199 HydrophobicContact CG1-CD2 4.27Å; V191-F199 HydrophobicContact CG1-CE2 4.3Å; V191-F201 HydrophobicContact CG2-CE2 4.4Å |
| 192 | N | 67.8 | Low | 70.4 | Confident | 53 Ų | 53 | 81.3 Ų | 81.3 | 28% | 0.283 | 47% | 0.465 | S | S | . | . | trans | -63.3 | 115.9 | 172.1 | -68.7 | -47.2 | 0 | 0 | 0 | 107.1 | E147 R149 K190 G194 G195 | E147-N192 PolarHBondContact O-ND2 3.24Å; R149-N192 WeakPolarHBondContact CD-OD1 3.45Å; K190-N192 PolarHBondContact O-N 3.07Å; N192-G194 PolarHBondContact O-N 3Å; N192-G195 PolarHBondContact O-N 3.38Å | ||
| 193 | E | 59.7 | Low | 68.4 | Low | 197 Ų | 197 | 86.2 Ų | 86.2 | 92% | 0.921 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 4.9 | -177 | -160.4 | 169.4 | -171.2 | 0 | 0 | 113.7 | V191 | V191-E193 PolarHBondContact O-N 3.49Å; V191-E193 VanDerWaalsContact O-N 3.09Å |
| 194 | G | 56.8 | Low | 66.4 | Low | 84 Ų | 84 | 86.9 Ų | 86.9 | 87% | 0.866 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 6.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | N192 | N192-G194 PolarHBondContact O-N 3Š|
| 195 | G | 53.6 | Low | 64.2 | Low | 35 Ų | 35 | 89.7 Ų | 89.7 | 36% | 0.361 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -124.8 | 131.6 | 173 | 0 | 0 | 0 | 0 | 0 | 109.6 | N192 S197 | N192-G195 PolarHBondContact O-N 3.38Å; G195-S197 PolarHBondContact O-N 3.25Å |
| 196 | D | 52.8 | Low | 62.2 | Low | 137 Ų | 137 | 90.9 Ų | 90.9 | 73% | 0.733 | 52% | 0.519 | S | S | * | . | trans | -23.6 | 113.4 | -176.5 | -62.3 | -43.2 | 0 | 0 | 0 | 113 | N198 | D196-N198 PolarHBondContact O-N 2.79Š| ||
| 197 | S | 53.4 | Low | 59.8 | Low | 115 Ų | 115 | 94.6 Ų | 94.6 | 80% | 0.804 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -62.7 | 12.8 | 179.6 | 58.9 | 0 | 0 | 0 | 0 | 114.1 | G195 F199 | G195-S197 PolarHBondContact O-N 3.25Å; S197-F199 PolarHBondContact O-N 2.94Å |
| 198 | N | 51.3 | Low | 57.8 | Low | 141 Ų | 141 | 94.8 Ų | 94.8 | 75% | 0.754 | 55% | 0.545 | S | S | * | . | trans | -79.2 | 21.1 | 170.6 | -86.9 | -9.8 | 0 | 0 | 0 | 113.2 | D196 G200 | D196-N198 PolarHBondContact O-N 2.79Å; N198-G200 VanDerWaalsContact C-N 3.28Å; N198-G200 PolarHBondContact O-N 3.3Å | ||
| 199 | F | 53.6 | Low | 55.7 | Low | 49 Ų | 49 | 96 Ų | 96 | 22% | 0.215 | 56% | 0.555 | C | S | . | * | trans | -57 | 107.8 | 150.3 | -76 | -84.3 | 0 | 0 | 0 | 105.8 | I144 S146 V191 S197 F201 | I144-F199 HydrophobicContact CG2-CE2 4.44Å; I144-F199 HydrophobicContact CG2-CZ 4.02Å; I144-F199 WeakPolarHBondContact O-CE1 3.26Å; I144-F199 WeakPolarHBondContact O-CZ 3.23Å; S146-F199 VanDerWaalsContact CB-CE2 3.46Å; S146-F199 VanDerWaalsContact OG-CE2 3.26Å; S146-F199 WeakPolarHBondContact OG-CE2 3.15Å; S146-F199 WeakPolarHBondContact OG-CZ 3.31Å; V191-F199 HydrophobicContact CG1-CD2 4.27Å; V191-F199 HydrophobicContact CG1-CE2 4.3Å; S197-F199 PolarHBondContact O-N 2.94Å; F199-F201 HydrophobicContact CB-CD2 3.73Å; F199-F201 HydrophobicContact CB-CE2 4.09Å; F199-F201 PolarHBondContact O-N 2.76Å | ||
| 200 | G | 46.7 | Very low | 53.7 | Low | 59 Ų | 59 | 99.7 Ų | 99.7 | 61% | 0.608 | 58% | 0.583 | S | S | * | * | trans | -61.6 | 59 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | N198 D202 | N198-G200 VanDerWaalsContact C-N 3.28Å; N198-G200 PolarHBondContact O-N 3.3Å; G200-D202 PolarHBondContact O-N 2.91Å | ||
| 201 | F | 52.6 | Low | 51.9 | Low | 47 Ų | 47 | 99.4 Ų | 99.4 | 21% | 0.206 | 59% | 0.592 | C | S | . | * | trans | -60.2 | 84.6 | 138.3 | -76.1 | -77.6 | 0 | 0 | 0 | 104.5 | V186 V191 F199 H203 | V186-F201 HydrophobicContact CB-CE1 4.38Å; V186-F201 HydrophobicContact CG1-CD1 4.33Å; V186-F201 HydrophobicContact CG1-CE1 3.34Å; V186-F201 HydrophobicContact CG1-CZ 3.78Å; V186-F201 HydrophobicContact CG2-CE1 4.09Å; V191-F201 HydrophobicContact CG2-CE2 4.4Å; F199-F201 HydrophobicContact CB-CD2 3.73Å; F199-F201 HydrophobicContact CB-CE2 4.09Å; F199-F201 PolarHBondContact O-N 2.76Å; F201-H203 PolarHBondContact O-N 2.76Å | ||
| 202 | D | 50.6 | Low | 50.8 | Low | 110 Ų | 110 | 106 Ų | 106 | 59% | 0.588 | 62% | 0.619 | S | S | * | * | trans | -49.6 | 99.5 | 157.4 | -126 | -28.8 | 0 | 0 | 0 | 105.2 | G200 S204 L205 | G200-D202 PolarHBondContact O-N 2.91Å; D202-S204 WeakPolarHBondContact CB-OG 3.13Å; D202-S204 PolarHBondContact O-N 3.03Å; D202-S204 PolarHBondContact OD1-OG 3.03Å; D202-L205 PolarHBondContact O-N 3Å | ||
| 203 | H | 49.3 | Very low | 49.6 | Very low | 158 Ų | 158 | 114.1 Ų | 114.1 | 73% | 0.731 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -57.4 | -16.6 | 177.8 | -76.9 | -72.5 | 0 | 0 | 0 | 110.6 | F201 L205 I206 | F201-H203 PolarHBondContact O-N 2.76Å; H203-L205 PolarHBondContact O-N 3.29Å; H203-I206 PolarHBondContact O-N 3.23Å |
| 204 | S | 47.9 | Very low | 49.1 | Very low | 77 Ų | 77 | 110 Ų | 110 | 54% | 0.538 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -58.7 | -15.2 | 170.4 | 48.3 | 0 | 0 | 0 | 0 | 115.1 | D202 | D202-S204 WeakPolarHBondContact CB-OG 3.13Å; D202-S204 PolarHBondContact O-N 3.03Å; D202-S204 PolarHBondContact OD1-OG 3.03Å |
| 205 | L | 45.4 | Very low | 48.7 | Very low | 121 Ų | 121 | 111.4 Ų | 111.4 | 63% | 0.634 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -106.7 | 2.5 | 177.5 | -64.3 | 178.6 | 0 | 0 | 0 | 114.8 | D202 H203 | D202-L205 PolarHBondContact O-N 3Å; H203-L205 PolarHBondContact O-N 3.29Å |
| 206 | I | 49.4 | Very low | 48.4 | Very low | 81 Ų | 81 | 115.6 Ų | 115.6 | 42% | 0.415 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -95.3 | -11.7 | -178.7 | -62.3 | 176.3 | 0 | 0 | 0 | 112 | H203 | H203-I206 PolarHBondContact O-N 3.23Š|
| 207 | N | 39.1 | Very low | 48.1 | Very low | 97 Ų | 97 | 114.4 Ų | 114.4 | 52% | 0.519 | 65% | 0.649 | S | S | . | * | trans | -130.6 | 102.6 | 178.5 | -165.2 | 4.2 | 0 | 0 | 0 | 112.4 | D209 | N207-D209 PolarHBondContact O-N 3.07Å; N207-D209 PolarHBondContact OD1-N 3.47Å | ||
| 208 | P | 46.2 | Very low | 47.8 | Very low | 118 Ų | 118 | 114.3 Ų | 114.3 | 77% | 0.766 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -79.7 | 2.4 | 170.3 | 31.9 | -32.1 | 0 | 0 | 0 | 113.9 | ||
| 209 | D | 46.2 | Very low | 47.6 | Very low | 129 Ų | 129 | 112.5 Ų | 112.5 | 69% | 0.69 | 63% | 0.631 | S | S | * | * | trans | -112.2 | 19.9 | -169.1 | -79.9 | -28.4 | 0 | 0 | 0 | 115.7 | N207 V211 | N207-D209 PolarHBondContact O-N 3.07Å; N207-D209 PolarHBondContact OD1-N 3.47Å; D209-V211 PolarHBondContact O-N 2.95Å | ||
| 210 | S | 45 | Very low | 47.1 | Very low | 100 Ų | 100 | 117.1 Ų | 117.1 | 70% | 0.699 | 66% | 0.661 | S | S | * | * | trans | -79.4 | 77.1 | 164.4 | 64.4 | 0 | 0 | 0 | 0 | 110.1 | E212 | S210-E212 PolarHBondContact O-N 3.29Š| ||
| 211 | V | 46.9 | Very low | 47.2 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | trans | -61.2 | 109.3 | 159.1 | 171.6 | 0 | 0 | 0 | 0 | 106.9 | D209 N213 | D209-V211 PolarHBondContact O-N 2.95Å; V211-N213 PolarHBondContact O-N 3.18Å | ||
| 212 | E | 52.2 | Low | 46.7 | Very low | 194 Ų | 194 | 127.8 Ų | 127.8 | 91% | 0.907 | 70% | 0.703 | S | S | * | * | trans | -56.7 | 122 | 159.6 | -81.2 | -178.7 | 130.1 | 0 | 0 | 107.9 | S210 | S210-E212 PolarHBondContact O-N 3.29Š| ||
| 213 | N | 42.3 | Very low | 46.4 | Very low | 224 Ų | 224 | 129.4 Ų | 129.4 | 100% | 1.198 | 71% | 0.714 | S | S | * | * | trans | -100.1 | 0 | 167 | -178.3 | 82.1 | 0 | 0 | 0 | 109.3 | V211 | V211-N213 PolarHBondContact O-N 3.18Š|
Retrieved 213 of 213 residues in 47.4 ms
(Link to these results)