| 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 | 34.3 | Very low | 32.2 | Very low | 234 Ų | 234 | 149.3 Ų | 149.3 | 100% | 1.153 | 84% | 0.843 | S | S | * | * | 0 | 94 | 0 | -165 | 171.6 | -170.3 | 0 | 0 | 106.8 | |||||
| 2 | T | 30.2 | Very low | 32.2 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 89% | 0.89 | 84% | 0.841 | S | S | * | * | trans | -101 | 110.8 | -170 | 12.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | I | 30.4 | Very low | 32.2 | Very low | 149 Ų | 149 | 155.8 Ų | 155.8 | 76% | 0.764 | 85% | 0.846 | S | S | * | * | trans | -97.8 | 120.3 | 174.1 | -60.6 | 172.2 | 0 | 0 | 0 | 107.3 | ||||
| 4 | P | 38.5 | Very low | 32 | Very low | 119 Ų | 119 | 150.6 Ų | 150.6 | 77% | 0.773 | 85% | 0.847 | S | S | * | * | trans | -81.6 | 128.1 | -174.7 | 30.6 | -32 | 0 | 0 | 0 | 112 | ||||
| 5 | T | 34.2 | Very low | 31.9 | Very low | 140 Ų | 140 | 154.5 Ų | 154.5 | 86% | 0.859 | 85% | 0.851 | S | S | * | * | trans | -89 | 104.7 | 171.1 | 37.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 6 | K | 30.7 | Very low | 31.5 | Very low | 188 Ų | 188 | 149.4 Ų | 149.4 | 82% | 0.817 | 85% | 0.846 | S | S | * | * | trans | -145.4 | 106.3 | 155.9 | -83.3 | -152.9 | 177.9 | -176.4 | 0 | 110 | ||||
| 7 | L | 33.1 | Very low | 31.5 | Very low | 175 Ų | 175 | 153 Ų | 153 | 92% | 0.916 | 85% | 0.85 | S | S | * | * | trans | -126.5 | 91.6 | 159 | -93.9 | 150.8 | 0 | 0 | 0 | 107.3 | S9 | L7-S9 PolarHBondContact O-N 3.42Š| ||
| 8 | N | 34.4 | Very low | 31.1 | Very low | 148 Ų | 148 | 148 Ų | 148 | 79% | 0.791 | 84% | 0.839 | S | S | * | * | trans | -70.2 | 111.4 | 162 | -86.6 | -10.1 | 0 | 0 | 0 | 107.6 | ||||
| 9 | S | 31.8 | Very low | 31 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 89% | 0.888 | 84% | 0.842 | S | S | * | * | trans | -91.6 | 97.2 | 166.2 | 53 | 0 | 0 | 0 | 0 | 109.1 | L7 | L7-S9 PolarHBondContact O-N 3.42Š| ||
| 10 | S | 27.1 | Very low | 30.6 | Very low | 102 Ų | 102 | 149.4 Ų | 149.4 | 71% | 0.713 | 84% | 0.841 | S | S | * | * | trans | -124.6 | 128.8 | 157.1 | 174.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 11 | T | 29.3 | Very low | 30.6 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 71% | 0.706 | 85% | 0.845 | S | S | * | * | 143 | 108.3 | 127.4 | -52 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 12 | K | 32.2 | Very low | 30.1 | Very low | 188 Ų | 188 | 142.8 Ų | 142.8 | 82% | 0.817 | 83% | 0.826 | S | S | * | * | trans | 48.9 | 110.3 | 139.7 | -64.1 | -175.8 | 173.2 | -177.1 | 0 | 120.7 | ||||
| 13 | E | 31.9 | Very low | 29.8 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | 24.1 | 103.4 | 123.8 | -71.1 | -176.4 | 133 | 0 | 0 | 117.5 | |||||
| 14 | G | 29.7 | Very low | 29.6 | Very low | 84 Ų | 84 | 142.1 Ų | 142.1 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | trans | -71.2 | 130 | 168 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 15 | K | 30.5 | Very low | 29 | Very low | 208 Ų | 208 | 144.6 Ų | 144.6 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | trans | -105.5 | 104.8 | 159.1 | -162 | 168 | -173.5 | 170.2 | 0 | 107.2 | ||||
| 16 | G | 25.3 | Very low | 28.7 | Very low | 74 Ų | 74 | 144.5 Ų | 144.5 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | trans | -67.6 | 136.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 17 | K | 31.3 | Very low | 28.6 | Very low | 210 Ų | 210 | 140.9 Ų | 140.9 | 91% | 0.913 | 83% | 0.826 | S | S | * | * | trans | -155.2 | 129 | 148 | -119.8 | 175.3 | 179.6 | 179.7 | 0 | 106.9 | ||||
| 18 | G | 24.5 | Very low | 28.4 | Very low | 63 Ų | 63 | 141.4 Ų | 141.4 | 65% | 0.649 | 82% | 0.824 | S | S | * | * | trans | -62.7 | 167 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 19 | N | 29.7 | Very low | 28.3 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | -167.5 | 145.3 | 119.5 | -85.8 | -18.5 | 0 | 0 | 0 | 109.9 | |||||
| 20 | N | 23.9 | Very low | 28.4 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -44.3 | 141.9 | 171.6 | -74.4 | -22.8 | 0 | 0 | 0 | 113.7 | ||||
| 21 | C | 28.8 | Very low | 28.9 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 92% | 0.919 | 82% | 0.819 | S | S | * | * | trans | -152.7 | 91.8 | 132.6 | -105.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 22 | S | 24.3 | Very low | 29.5 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | trans | -70.1 | 141.7 | 156.2 | 47.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 23 | A | 25 | Very low | 30 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | trans | 131.6 | 101.7 | 142.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 24 | Q | 25.3 | Very low | 30.3 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | -163 | 113.2 | 129.6 | -145.5 | 152.9 | -64.1 | 0 | 0 | 108.4 | |||||
| 25 | Q | 26 | Very low | 30.7 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -175.7 | 117.1 | 136.3 | -99.6 | 166.6 | -36.5 | 0 | 0 | 110.3 | ||
| 26 | D | 28.9 | Very low | 31.1 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | 77.8 | 75.5 | 135.4 | -47.2 | -19.3 | 0 | 0 | 0 | 117.6 | E28 | D26-E28 PolarHBondContact O-N 2.71Š| ||
| 27 | A | 28.5 | Very low | 31.6 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | trans | -79 | 85.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 28 | E | 28.8 | Very low | 32 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | -144.1 | 62.8 | 164.8 | -161.2 | 174.1 | 133.3 | 0 | 0 | 110.4 | D26 | D26-E28 PolarHBondContact O-N 2.71Š| ||
| 29 | N | 30.8 | Very low | 32.8 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -168 | 57.2 | 156.1 | -133.9 | 4.5 | 0 | 0 | 0 | 112.9 | ||
| 30 | S | 34 | Very low | 33.2 | Very low | 88 Ų | 88 | 142.4 Ų | 142.4 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | trans | -122.7 | -9.4 | 176.3 | -169.2 | 0 | 0 | 0 | 0 | 114.8 | V32 K33 | S30-V32 PolarHBondContact O-N 2.85Å; S30-K33 PolarHBondContact O-N 3.17Å | ||
| 31 | E | 38.3 | Very low | 33.6 | Very low | 186 Ų | 186 | 138.5 Ų | 138.5 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -13.3 | -177.4 | -144.4 | 172.5 | 156.1 | 0 | 0 | 113.2 | ||
| 32 | V | 41.7 | Very low | 33.7 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -12.8 | 177 | -174.6 | 0 | 0 | 0 | 0 | 112.7 | S30 | S30-V32 PolarHBondContact O-N 2.85Š|
| 33 | K | 42 | Very low | 34.2 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 70% | 0.7 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -18.9 | -177.7 | -77.4 | -172.4 | 177.5 | 178 | 0 | 115.3 | S30 | S30-K33 PolarHBondContact O-N 3.17Š|
| 34 | E | 40 | Very low | 34.6 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | H | α-helix | trans | -79.6 | -21.3 | 178.4 | -70 | -153.1 | 149.9 | 0 | 0 | 113.7 | L36 | E34-L36 VanDerWaalsContact C-N 3.26Å; E34-L36 PolarHBondContact O-N 2.83Å |
| 35 | G | 37.3 | Very low | 35 | Very low | 60 Ų | 60 | 145.9 Ų | 145.9 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | H | α-helix | trans | -68.7 | -21 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 36 | L | 38.2 | Very low | 35.2 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | H | α-helix | trans | -93.9 | -22.9 | -174.7 | -144.4 | 76.4 | 0 | 0 | 0 | 113.7 | E34 | E34-L36 VanDerWaalsContact C-N 3.26Å; E34-L36 PolarHBondContact O-N 2.83Å |
| 37 | Y | 36.7 | Very low | 35.2 | Very low | 201 Ų | 201 | 138.1 Ų | 138.1 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | H | α-helix | trans | -82.6 | -23.1 | 178.3 | -89.1 | -83.6 | 0 | 0 | 0 | 113.6 | K39 | Y37-K39 VanDerWaalsContact C-N 3.32Å; Y37-K39 PolarHBondContact O-N 2.87Å |
| 38 | K | 39.9 | Very low | 35.2 | Very low | 187 Ų | 187 | 139 Ų | 139 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -75.7 | -15.2 | 176.8 | -80.6 | -172.7 | 178 | 175.5 | 0 | 114.6 | ||
| 39 | K | 41.2 | Very low | 35.2 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -90.6 | -0.8 | 179.9 | -126.6 | -179.8 | -176.2 | 177.4 | 0 | 114.9 | Y37 | Y37-K39 VanDerWaalsContact C-N 3.32Å; Y37-K39 PolarHBondContact O-N 2.87Å |
| 40 | A | 38.3 | Very low | 35.5 | Very low | 69 Ų | 69 | 139 Ų | 139 | 57% | 0.57 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -100.6 | -3.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 41 | G | 31.7 | Very low | 35.5 | Very low | 73 Ų | 73 | 144.1 Ų | 144.1 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -89.5 | 2.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 42 | E | 30.1 | Very low | 35.5 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -129.9 | 68.3 | -170.3 | -148 | 160.5 | 176.2 | 0 | 0 | 110.3 | ||||
| 43 | Y | 34.8 | Very low | 35.7 | Very low | 201 Ų | 201 | 138.2 Ų | 138.2 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | -124.6 | 105.6 | 166.9 | -63.8 | -73.7 | 0 | 0 | 0 | 107.6 | ||||
| 44 | E | 34 | Very low | 35.9 | Very low | 190 Ų | 190 | 142 Ų | 142 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -59.9 | 148.4 | -174.9 | -67.8 | -166.7 | 138.5 | 0 | 0 | 113 | G46 | E44-G46 VanDerWaalsContact C-N 3.3Å; E44-G46 PolarHBondContact O-N 3.32Å | ||
| 45 | A | 33.5 | Very low | 36.8 | Very low | 113 Ų | 113 | 139 Ų | 139 | 93% | 0.934 | 77% | 0.771 | S | S | * | * | trans | -64.7 | 81.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 46 | G | 30.1 | Very low | 37.9 | Very low | 75 Ų | 75 | 140.2 Ų | 140.2 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -106.5 | 82.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | E44 | E44-G46 VanDerWaalsContact C-N 3.3Å; E44-G46 PolarHBondContact O-N 3.32Å | ||
| 47 | G | 28.2 | Very low | 39.1 | Very low | 71 Ų | 71 | 139.3 Ų | 139.3 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | -74.6 | 134.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 48 | V | 28.4 | Very low | 40.4 | Very low | 131 Ų | 131 | 137 Ų | 137 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | 176.6 | 123.1 | 142.3 | 143.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 49 | H | 30.7 | Very low | 41.8 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | trans | 70 | 108 | 154.1 | -82.1 | -97.7 | 0 | 0 | 0 | 121.6 | ||||
| 50 | E | 35.5 | Very low | 43.3 | Very low | 179 Ų | 179 | 129.1 Ų | 129.1 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | 23.1 | 96.6 | 129.7 | -82.5 | -178.6 | 126.3 | 0 | 0 | 117.4 | |||||
| 51 | E | 34 | Very low | 45 | Very low | 195 Ų | 195 | 134 Ų | 134 | 91% | 0.911 | 73% | 0.734 | S | S | * | * | trans | -147.6 | 135.4 | 143.6 | -121.2 | -175.1 | 168.1 | 0 | 0 | 109.5 | S53 | E51-S53 PolarHBondContact O-N 2.94Š| ||
| 52 | G | 39.4 | Very low | 47.2 | Very low | 70 Ų | 70 | 136.8 Ų | 136.8 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | trans | -46.6 | 130.1 | -163.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R54 | G52-R54 PolarHBondContact O-N 3.22Š| ||
| 53 | S | 44.9 | Very low | 49.6 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 81% | 0.811 | 70% | 0.699 | S | S | * | * | trans | -59.6 | 74.1 | 175.9 | 56.7 | 0 | 0 | 0 | 0 | 112.3 | E51 L55 | E51-S53 PolarHBondContact O-N 2.94Å; S53-L55 VanDerWaalsContact C-N 3.35Å; S53-L55 PolarHBondContact O-N 2.9Å | ||
| 54 | R | 47.2 | Very low | 51.7 | Low | 240 Ų | 240 | 124 Ų | 124 | 91% | 0.906 | 68% | 0.679 | S | S | * | * | trans | -76.2 | 93.6 | 159.2 | -86.7 | -178.5 | 166.8 | 151.8 | -2.4 | 106.6 | G52 | G52-R54 PolarHBondContact O-N 3.22Š| ||
| 55 | L | 58.1 | Low | 54 | Low | 88 Ų | 88 | 121.8 Ų | 121.8 | 46% | 0.461 | 66% | 0.662 | S | S | . | * | trans | -49.3 | 135.3 | 166.7 | -112.7 | 85.7 | 0 | 0 | 0 | 108.6 | S53 I57 L59 | S53-L55 VanDerWaalsContact C-N 3.35Å; S53-L55 PolarHBondContact O-N 2.9Å; L55-I57 PolarHBondContact O-N 3.18Å; L55-L59 HydrophobicContact CD2-CD2 3.66Å; L55-L59 HydrophobicContact CD2-CG 4.19Å; L55-L59 HydrophobicContact CG-CD2 4.36Å | ||
| 56 | P | 60.2 | Low | 56.5 | Low | 86 Ų | 86 | 121 Ų | 121 | 56% | 0.558 | 64% | 0.639 | S | S | * | * | trans | -61.3 | 132.3 | -178.5 | 23.9 | -32.3 | 0 | 0 | 0 | 109.7 | H58 L59 | P56-H58 PolarHBondContact O-N 3.45Å; P56-L59 HydrophobicContact CG-CB 4.3Å; P56-L59 PolarHBondContact O-N 3.45Å | ||
| 57 | I | 63.7 | Low | 59.1 | Low | 126 Ų | 126 | 126.3 Ų | 126.3 | 65% | 0.646 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -48.9 | -26.9 | -175.6 | -60.1 | 162.2 | 0 | 0 | 0 | 112.7 | L55 R61 | L55-I57 PolarHBondContact O-N 3.18Å; I57-R61 WeakPolarHBondContact O-CG 3.39Å; I57-R61 PolarHBondContact O-N 2.95Å |
| 58 | H | 64.2 | Low | 62 | Low | 153 Ų | 153 | 128.8 Ų | 128.8 | 71% | 0.708 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.5 | -36.9 | 175.8 | -101.7 | -83.6 | 0 | 0 | 0 | 114.4 | P56 R61 Y62 | P56-H58 PolarHBondContact O-N 3.45Å; H58-R61 PolarHBondContact O-N 3.36Å; H58-Y62 WeakPolarHBondContact O-CB 3.34Å; H58-Y62 PolarHBondContact O-N 3.45Å |
| 59 | L | 70 | Confident | 64.9 | Low | 76 Ų | 76 | 129.2 Ų | 129.2 | 40% | 0.398 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -74 | -40 | -179.2 | -173.5 | 60.2 | 0 | 0 | 0 | 111 | L55 P56 R61 Y62 I63 | L55-L59 HydrophobicContact CD2-CD2 3.66Å; L55-L59 HydrophobicContact CD2-CG 4.19Å; L55-L59 HydrophobicContact CG-CD2 4.36Å; P56-L59 HydrophobicContact CG-CB 4.3Å; P56-L59 PolarHBondContact O-N 3.45Å; L59-R61 VanDerWaalsContact C-N 3.33Å; L59-R61 PolarHBondContact O-N 3.46Å; L59-Y62 PolarHBondContact O-N 3.44Å; L59-I63 HydrophobicContact CD1-CD1 4.36Å; L59-I63 HydrophobicContact CD1-CG1 4.46Å; L59-I63 HydrophobicContact CG-CD1 4.03Å; L59-I63 WeakPolarHBondContact O-CG1 3.31Å; L59-I63 PolarHBondContact O-N 2.96Å |
| 60 | E | 71.8 | Confident | 67.8 | Low | 126 Ų | 126 | 125.3 Ų | 125.3 | 59% | 0.589 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -54 | -49 | 169.4 | -78.7 | -96.2 | 142.9 | 0 | 0 | 111.2 | Y62 I63 A64 | E60-Y62 PolarHBondContact O-N 3.32Å; E60-I63 PolarHBondContact O-N 3.1Å; E60-A64 VanDerWaalsContact O-CB 3.31Å; E60-A64 WeakPolarHBondContact O-CB 3.36Å; E60-A64 PolarHBondContact O-N 2.93Å |
| 61 | R | 74.8 | Confident | 70.5 | Confident | 172 Ų | 172 | 122.2 Ų | 122.2 | 65% | 0.649 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.9 | -39.1 | 176.1 | -75.2 | -179.9 | -179.1 | -172.2 | 0.8 | 112.7 | I57 H58 L59 W65 | I57-R61 WeakPolarHBondContact O-CG 3.39Å; I57-R61 PolarHBondContact O-N 2.95Å; H58-R61 PolarHBondContact O-N 3.36Å; L59-R61 VanDerWaalsContact C-N 3.33Å; L59-R61 PolarHBondContact O-N 3.46Å; R61-W65 VanDerWaalsContact O-CB 3.3Å; R61-W65 WeakPolarHBondContact O-CB 3.46Å; R61-W65 PolarHBondContact O-N 3.45Å |
| 62 | Y | 78.5 | Confident | 73.2 | Confident | 131 Ų | 131 | 116.6 Ų | 116.6 | 51% | 0.514 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.4 | -45.6 | 178.3 | -179.2 | -98.6 | 0 | 0 | 0 | 112.1 | H58 L59 E60 W65 Q66 | H58-Y62 WeakPolarHBondContact O-CB 3.34Å; H58-Y62 PolarHBondContact O-N 3.45Å; L59-Y62 PolarHBondContact O-N 3.44Å; E60-Y62 PolarHBondContact O-N 3.32Å; Y62-W65 PolarHBondContact O-N 2.9Å; Y62-Q66 VanDerWaalsContact CE1-OE1 3.3Å; Y62-Q66 WeakPolarHBondContact O-CB 3.46Å; Y62-Q66 PolarHBondContact O-N 3.3Å |
| 63 | I | 79.8 | Confident | 75.8 | Confident | 65 Ų | 65 | 117.5 Ų | 117.5 | 33% | 0.333 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.9 | -42.3 | 177.3 | -64.8 | 166.3 | 0 | 0 | 0 | 110.4 | L59 E60 Q66 R67 | L59-I63 HydrophobicContact CD1-CD1 4.36Å; L59-I63 HydrophobicContact CD1-CG1 4.46Å; L59-I63 HydrophobicContact CG-CD1 4.03Å; L59-I63 WeakPolarHBondContact O-CG1 3.31Å; L59-I63 PolarHBondContact O-N 2.96Å; E60-I63 PolarHBondContact O-N 3.1Å; I63-Q66 PolarHBondContact O-N 3.34Å; I63-R67 WeakPolarHBondContact O-CG 3.3Å; I63-R67 PolarHBondContact O-N 2.91Å |
| 64 | A | 79 | Confident | 78.1 | Confident | 43 Ų | 43 | 116.9 Ų | 116.9 | 36% | 0.355 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E60 Q66 R67 H68 | E60-A64 VanDerWaalsContact O-CB 3.31Å; E60-A64 WeakPolarHBondContact O-CB 3.36Å; E60-A64 PolarHBondContact O-N 2.93Å; A64-Q66 PolarHBondContact O-N 2.9Å; A64-R67 PolarHBondContact O-N 3.37Å; A64-H68 PolarHBondContact O-CD2 3.37Å; A64-H68 PolarHBondContact O-N 3.43Å |
| 65 | W | 82.2 | Confident | 80.4 | Confident | 142 Ų | 142 | 109 Ų | 109 | 54% | 0.538 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 176.9 | -177.7 | 83.1 | 0 | 0 | 0 | 112.7 | R61 Y62 H68 R69 | R61-W65 VanDerWaalsContact O-CB 3.3Å; R61-W65 WeakPolarHBondContact O-CB 3.46Å; R61-W65 PolarHBondContact O-N 3.45Å; Y62-W65 PolarHBondContact O-N 2.9Å; W65-H68 PolarHBondContact O-N 2.95Å; W65-R69 VanDerWaalsContact CH2-NH1 3.32Å; W65-R69 WeakPolarHBondContact O-CB 3.27Å; W65-R69 PolarHBondContact O-N 3.08Å |
| 66 | Q | 86 | Confident | 82.1 | Confident | 96 Ų | 96 | 110.5 Ų | 110.5 | 45% | 0.449 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 177.8 | -170.8 | 170.4 | -34 | 0 | 0 | 111.8 | Y62 I63 A64 R69 V70 | Y62-Q66 VanDerWaalsContact CE1-OE1 3.3Å; Y62-Q66 WeakPolarHBondContact O-CB 3.46Å; Y62-Q66 PolarHBondContact O-N 3.3Å; I63-Q66 PolarHBondContact O-N 3.34Å; A64-Q66 PolarHBondContact O-N 2.9Å; Q66-R69 PolarHBondContact O-N 3.32Å; Q66-V70 VanDerWaalsContact O-CG2 3.3Å; Q66-V70 WeakPolarHBondContact O-CG2 3.3Å; Q66-V70 PolarHBondContact O-N 3Å |
| 67 | R | 85.5 | Confident | 83.8 | Confident | 187 Ų | 187 | 109.5 Ų | 109.5 | 71% | 0.706 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.3 | -44.8 | 173.4 | -73.4 | 177.7 | -177.7 | -178.3 | 2.5 | 111.6 | I63 A64 V70 L71 | I63-R67 WeakPolarHBondContact O-CG 3.3Å; I63-R67 PolarHBondContact O-N 2.91Å; A64-R67 PolarHBondContact O-N 3.37Å; R67-V70 PolarHBondContact O-N 2.85Å; R67-L71 VanDerWaalsContact O-CB 3.27Å; R67-L71 WeakPolarHBondContact O-CB 3.35Å; R67-L71 PolarHBondContact O-N 3.49Å |
| 68 | H | 87.2 | Confident | 85.3 | Confident | 123 Ų | 123 | 106.4 Ų | 106.4 | 57% | 0.569 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62 | -43.5 | 175.9 | -80.5 | -66.2 | 0 | 0 | 0 | 112 | A64 W65 L71 T72 | A64-H68 PolarHBondContact O-CD2 3.37Å; A64-H68 PolarHBondContact O-N 3.43Å; W65-H68 PolarHBondContact O-N 2.95Å; H68-L71 PolarHBondContact O-N 3.29Å; H68-T72 WeakPolarHBondContact O-CB 3.28Å; H68-T72 VanDerWaalsContact O-CG2 3.28Å; H68-T72 WeakPolarHBondContact O-CG2 3.41Å; H68-T72 PolarHBondContact O-N 2.9Å; H68-T72 PolarHBondContact O-OG1 2.93Å; H68-T72 VanDerWaalsContact O-OG1 3.08Å |
| 69 | R | 89.4 | Confident | 86.9 | Confident | 140 Ų | 140 | 103.9 Ų | 103.9 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 178.3 | -172.8 | 176 | 179.2 | -175.7 | 0.8 | 112.6 | W65 Q66 T72 I73 | W65-R69 VanDerWaalsContact CH2-NH1 3.32Å; W65-R69 WeakPolarHBondContact O-CB 3.27Å; W65-R69 PolarHBondContact O-N 3.08Å; Q66-R69 PolarHBondContact O-N 3.32Å; R69-T72 WeakPolarHBondContact CA-OG1 3.26Å; R69-T72 PolarHBondContact O-OG1 3.01Å; R69-I73 HydrophobicContact CG-CD1 3.97Å; R69-I73 WeakPolarHBondContact O-CB 3.32Å; R69-I73 WeakPolarHBondContact O-CD1 3.42Å; R69-I73 WeakPolarHBondContact O-CG1 3.31Å; R69-I73 PolarHBondContact O-N 3.49Å |
| 70 | V | 91.6 | Very high | 88.1 | Confident | 78 Ų | 78 | 104.6 Ų | 104.6 | 47% | 0.473 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | Q66 R67 T72 I73 L74 | Q66-V70 VanDerWaalsContact O-CG2 3.3Å; Q66-V70 WeakPolarHBondContact O-CG2 3.3Å; Q66-V70 PolarHBondContact O-N 3Å; R67-V70 PolarHBondContact O-N 2.85Å; V70-T72 PolarHBondContact O-N 2.86Å; V70-I73 PolarHBondContact O-N 3.35Å; V70-L74 HydrophobicContact CG1-CD1 4Å; V70-L74 HydrophobicContact CG1-CG 4.4Å; V70-L74 WeakPolarHBondContact O-CB 3.37Å; V70-L74 WeakPolarHBondContact O-CG 3.19Å; V70-L74 PolarHBondContact O-N 2.86Å |
| 71 | L | 92.3 | Very high | 89.3 | Confident | 113 Ų | 113 | 102.7 Ų | 102.7 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.1 | -42.2 | 178.2 | -176.7 | 65.1 | 0 | 0 | 0 | 112.2 | R67 H68 L74 C75 | R67-L71 VanDerWaalsContact O-CB 3.27Å; R67-L71 WeakPolarHBondContact O-CB 3.35Å; R67-L71 PolarHBondContact O-N 3.49Å; H68-L71 PolarHBondContact O-N 3.29Å; L71-L74 PolarHBondContact O-N 3.38Å; L71-C75 WeakPolarHBondContact O-CB 3.46Å; L71-C75 PolarHBondContact O-N 2.93Å |
| 72 | T | 91.3 | Very high | 90.4 | Very high | 78 Ų | 78 | 102.6 Ų | 102.6 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 176.8 | 54.7 | 0 | 0 | 0 | 0 | 111.3 | H68 R69 V70 L74 C75 M76 | H68-T72 WeakPolarHBondContact O-CB 3.28Å; H68-T72 VanDerWaalsContact O-CG2 3.28Å; H68-T72 WeakPolarHBondContact O-CG2 3.41Å; H68-T72 PolarHBondContact O-N 2.9Å; H68-T72 PolarHBondContact O-OG1 2.93Å; H68-T72 VanDerWaalsContact O-OG1 3.08Å; R69-T72 WeakPolarHBondContact CA-OG1 3.26Å; R69-T72 PolarHBondContact O-OG1 3.01Å; V70-T72 PolarHBondContact O-N 2.86Å; T72-L74 PolarHBondContact O-N 3.34Å; T72-C75 PolarHBondContact O-N 3.05Å; T72-M76 WeakPolarHBondContact O-CB 3.5Å; T72-M76 WeakPolarHBondContact O-CG 3.4Å; T72-M76 PolarHBondContact O-N 3.37Å |
| 73 | I | 93.2 | Very high | 91.3 | Very high | 88 Ų | 88 | 101.2 Ų | 101.2 | 45% | 0.451 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 175.2 | -68.5 | 166.1 | 0 | 0 | 0 | 111.1 | R69 V70 C75 M76 T77 | R69-I73 HydrophobicContact CG-CD1 3.97Å; R69-I73 WeakPolarHBondContact O-CB 3.32Å; R69-I73 WeakPolarHBondContact O-CD1 3.42Å; R69-I73 WeakPolarHBondContact O-CG1 3.31Å; R69-I73 PolarHBondContact O-N 3.49Å; V70-I73 PolarHBondContact O-N 3.35Å; I73-C75 PolarHBondContact O-N 3.29Å; I73-M76 PolarHBondContact O-N 3.41Å; I73-T77 HydrophobicContact CG2-CG2 4.3Å; I73-T77 WeakPolarHBondContact O-CB 3.47Å; I73-T77 VanDerWaalsContact O-CG2 3.31Å; I73-T77 WeakPolarHBondContact O-CG2 3.39Å; I73-T77 PolarHBondContact O-N 2.91Å; I73-T77 PolarHBondContact O-OG1 2.83Å |
| 74 | L | 94.3 | Very high | 92.2 | Very high | 104 Ų | 104 | 103 Ų | 103 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 175.9 | -72.7 | 174.6 | 0 | 0 | 0 | 111.9 | V70 L71 T72 T77 A78 | V70-L74 HydrophobicContact CG1-CD1 4Å; V70-L74 HydrophobicContact CG1-CG 4.4Å; V70-L74 WeakPolarHBondContact O-CB 3.37Å; V70-L74 WeakPolarHBondContact O-CG 3.19Å; V70-L74 PolarHBondContact O-N 2.86Å; L71-L74 PolarHBondContact O-N 3.38Å; T72-L74 PolarHBondContact O-N 3.34Å; L74-T77 WeakPolarHBondContact CA-OG1 3.45Å; L74-T77 PolarHBondContact O-OG1 3.49Å; L74-A78 VanDerWaalsContact O-CB 3.26Å; L74-A78 WeakPolarHBondContact O-CB 3.35Å; L74-A78 PolarHBondContact O-N 2.84Å |
| 75 | C | 94.4 | Very high | 93 | Very high | 75 Ų | 75 | 106 Ų | 106 | 51% | 0.507 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 176 | -169.6 | 0 | 0 | 0 | 0 | 111.8 | L71 T72 I73 A78 M79 | L71-C75 WeakPolarHBondContact O-CB 3.46Å; L71-C75 PolarHBondContact O-N 2.93Å; T72-C75 PolarHBondContact O-N 3.05Å; I73-C75 PolarHBondContact O-N 3.29Å; C75-A78 PolarHBondContact O-N 2.88Å; C75-M79 VanDerWaalsContact O-CG 3.31Å; C75-M79 WeakPolarHBondContact O-CG 3.31Å; C75-M79 PolarHBondContact O-N 2.92Å |
| 76 | M | 95.4 | Very high | 93.8 | Very high | 118 Ų | 118 | 101.7 Ų | 101.7 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65 | -43 | 178.4 | -69.2 | -59 | -68.8 | 0 | 0 | 111.9 | T72 I73 M79 I80 | T72-M76 WeakPolarHBondContact O-CB 3.5Å; T72-M76 WeakPolarHBondContact O-CG 3.4Å; T72-M76 PolarHBondContact O-N 3.37Å; I73-M76 PolarHBondContact O-N 3.41Å; M76-M79 PolarHBondContact O-N 3.49Å; M76-I80 WeakPolarHBondContact O-CD1 3.17Å; M76-I80 VanDerWaalsContact O-CG1 3.24Å; M76-I80 WeakPolarHBondContact O-CG1 3.4Å; M76-I80 PolarHBondContact O-N 2.97Å |
| 77 | T | 94.9 | Very high | 94.3 | Very high | 66 Ų | 66 | 100.5 Ų | 100.5 | 41% | 0.405 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | 176.2 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | I73 L74 M79 I80 V81 | I73-T77 HydrophobicContact CG2-CG2 4.3Å; I73-T77 WeakPolarHBondContact O-CB 3.47Å; I73-T77 VanDerWaalsContact O-CG2 3.31Å; I73-T77 WeakPolarHBondContact O-CG2 3.39Å; I73-T77 PolarHBondContact O-N 2.91Å; I73-T77 PolarHBondContact O-OG1 2.83Å; L74-T77 WeakPolarHBondContact CA-OG1 3.45Å; L74-T77 PolarHBondContact O-OG1 3.49Å; T77-M79 PolarHBondContact O-N 3.32Å; T77-I80 PolarHBondContact O-N 3.41Å; T77-V81 WeakPolarHBondContact O-CB 3.28Å; T77-V81 VanDerWaalsContact O-CG2 3.28Å; T77-V81 WeakPolarHBondContact O-CG2 3.5Å; T77-V81 PolarHBondContact O-N 3.37Å |
| 78 | A | 95.9 | Very high | 94.9 | Very high | 60 Ų | 60 | 95.7 Ų | 95.7 | 50% | 0.496 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L74 C75 V81 W82 | L74-A78 VanDerWaalsContact O-CB 3.26Å; L74-A78 WeakPolarHBondContact O-CB 3.35Å; L74-A78 PolarHBondContact O-N 2.84Å; C75-A78 PolarHBondContact O-N 2.88Å; A78-V81 PolarHBondContact O-N 3.3Å; A78-W82 WeakPolarHBondContact O-CB 3.48Å; A78-W82 PolarHBondContact O-N 3.33Å |
| 79 | M | 96.6 | Very high | 95.4 | Very high | 101 Ų | 101 | 93.7 Ų | 93.7 | 50% | 0.498 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 174.9 | -73.3 | -62.9 | -66.7 | 0 | 0 | 112 | C75 M76 T77 W82 L83 | C75-M79 VanDerWaalsContact O-CG 3.31Å; C75-M79 WeakPolarHBondContact O-CG 3.31Å; C75-M79 PolarHBondContact O-N 2.92Å; M76-M79 PolarHBondContact O-N 3.49Å; T77-M79 PolarHBondContact O-N 3.32Å; M79-W82 PolarHBondContact O-N 3.34Å; M79-L83 WeakPolarHBondContact O-CG 3.24Å; M79-L83 PolarHBondContact O-N 2.94Å |
| 80 | I | 96.9 | Very high | 95.7 | Very high | 91 Ų | 91 | 88.9 Ų | 88.9 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 176.4 | -68.6 | 163.4 | 0 | 0 | 0 | 110.6 | M76 T77 W82 L83 L84 | M76-I80 WeakPolarHBondContact O-CD1 3.17Å; M76-I80 VanDerWaalsContact O-CG1 3.24Å; M76-I80 WeakPolarHBondContact O-CG1 3.4Å; M76-I80 PolarHBondContact O-N 2.97Å; T77-I80 PolarHBondContact O-N 3.41Å; I80-W82 VanDerWaalsContact C-N 3.27Å; I80-W82 PolarHBondContact O-N 2.9Å; I80-L83 PolarHBondContact O-N 3.34Å; I80-L84 HydrophobicContact CG2-CD1 4.04Å; I80-L84 HydrophobicContact CG2-CG 4.35Å; I80-L84 WeakPolarHBondContact O-CG 3.48Å; I80-L84 PolarHBondContact O-N 2.89Å |
| 81 | V | 97 | Very high | 95.9 | Very high | 85 Ų | 85 | 89 Ų | 89 | 52% | 0.515 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 176.9 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | T77 A78 L84 M85 | T77-V81 WeakPolarHBondContact O-CB 3.28Å; T77-V81 VanDerWaalsContact O-CG2 3.28Å; T77-V81 WeakPolarHBondContact O-CG2 3.5Å; T77-V81 PolarHBondContact O-N 3.37Å; A78-V81 PolarHBondContact O-N 3.3Å; V81-L84 PolarHBondContact O-N 3.36Å; V81-M85 HydrophobicContact CG1-CG 4.38Å; V81-M85 WeakPolarHBondContact O-CB 3.41Å; V81-M85 VanDerWaalsContact O-CG 3.27Å; V81-M85 WeakPolarHBondContact O-CG 3.37Å; V81-M85 PolarHBondContact O-N 3.22Å |
| 82 | W | 97.3 | Very high | 96.1 | Very high | 170 Ų | 170 | 88.3 Ų | 88.3 | 64% | 0.644 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.7 | -42.8 | 177 | -170.3 | 76.4 | 0 | 0 | 0 | 112.6 | A78 M79 I80 M85 A86 | A78-W82 WeakPolarHBondContact O-CB 3.48Å; A78-W82 PolarHBondContact O-N 3.33Å; M79-W82 PolarHBondContact O-N 3.34Å; I80-W82 VanDerWaalsContact C-N 3.27Å; I80-W82 PolarHBondContact O-N 2.9Å; W82-M85 PolarHBondContact O-N 2.9Å; W82-A86 WeakPolarHBondContact O-CB 3.34Å; W82-A86 PolarHBondContact O-N 3.49Å |
| 83 | L | 97.3 | Very high | 96.3 | Very high | 103 Ų | 103 | 89.2 Ų | 89.2 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 174.9 | -70.1 | 174.5 | 0 | 0 | 0 | 112.3 | M79 I80 A86 S87 | M79-L83 WeakPolarHBondContact O-CG 3.24Å; M79-L83 PolarHBondContact O-N 2.94Å; I80-L83 PolarHBondContact O-N 3.34Å; L83-A86 PolarHBondContact O-N 2.95Å; L83-S87 WeakPolarHBondContact O-CB 3.27Å; L83-S87 PolarHBondContact O-N 3.42Å |
| 84 | L | 97.5 | Very high | 96.3 | Very high | 102 Ų | 102 | 90 Ų | 90 | 53% | 0.534 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 175.5 | -69.6 | 175.7 | 0 | 0 | 0 | 111.2 | I80 V81 S87 I88 | I80-L84 HydrophobicContact CG2-CD1 4.04Å; I80-L84 HydrophobicContact CG2-CG 4.35Å; I80-L84 WeakPolarHBondContact O-CG 3.48Å; I80-L84 PolarHBondContact O-N 2.89Å; V81-L84 PolarHBondContact O-N 3.36Å; L84-S87 PolarHBondContact O-N 2.91Å; L84-I88 VanDerWaalsContact O-CG1 3.27Å; L84-I88 WeakPolarHBondContact O-CG1 3.44Å; L84-I88 PolarHBondContact O-N 3.32Å |
| 85 | M | 97.3 | Very high | 96.1 | Very high | 107 Ų | 107 | 92.5 Ų | 92.5 | 53% | 0.527 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 176.1 | -70.7 | -58.1 | -65.4 | 0 | 0 | 111.9 | V81 W82 S87 I88 V89 | V81-M85 HydrophobicContact CG1-CG 4.38Å; V81-M85 WeakPolarHBondContact O-CB 3.41Å; V81-M85 VanDerWaalsContact O-CG 3.27Å; V81-M85 WeakPolarHBondContact O-CG 3.37Å; V81-M85 PolarHBondContact O-N 3.22Å; W82-M85 PolarHBondContact O-N 2.9Å; M85-S87 VanDerWaalsContact C-N 3.33Å; M85-S87 PolarHBondContact O-N 3.31Å; M85-I88 PolarHBondContact O-N 2.92Å; M85-I88 HydrophobicContact SD-CD1 4.48Å; M85-V89 VanDerWaalsContact O-CG2 3.32Å; M85-V89 WeakPolarHBondContact O-CG2 3.33Å; M85-V89 PolarHBondContact O-N 2.86Å |
| 86 | A | 97.6 | Very high | 95.8 | Very high | 50 Ų | 50 | 97.1 Ų | 97.1 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | W82 L83 G90 | W82-A86 WeakPolarHBondContact O-CB 3.34Å; W82-A86 PolarHBondContact O-N 3.49Å; L83-A86 PolarHBondContact O-N 2.95Å; A86-G90 PolarHBondContact O-N 2.93Å |
| 87 | S | 97.5 | Very high | 95.3 | Very high | 71 Ų | 71 | 100 Ų | 100 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 174.6 | -178 | 0 | 0 | 0 | 0 | 112.3 | L83 L84 M85 G90 T91 | L83-S87 WeakPolarHBondContact O-CB 3.27Å; L83-S87 PolarHBondContact O-N 3.42Å; L84-S87 PolarHBondContact O-N 2.91Å; M85-S87 VanDerWaalsContact C-N 3.33Å; M85-S87 PolarHBondContact O-N 3.31Å; S87-G90 PolarHBondContact O-N 3.44Å; S87-T91 WeakPolarHBondContact O-CG2 3.32Å; S87-T91 PolarHBondContact O-N 2.94Å; S87-T91 PolarHBondContact O-OG1 3.42Å |
| 88 | I | 97.6 | Very high | 94.6 | Very high | 86 Ų | 86 | 103 Ų | 103 | 44% | 0.441 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 177.3 | -67.1 | 163.1 | 0 | 0 | 0 | 110.6 | L84 M85 T91 L92 | L84-I88 VanDerWaalsContact O-CG1 3.27Å; L84-I88 WeakPolarHBondContact O-CG1 3.44Å; L84-I88 PolarHBondContact O-N 3.32Å; M85-I88 PolarHBondContact O-N 2.92Å; M85-I88 HydrophobicContact SD-CD1 4.48Å; I88-T91 WeakPolarHBondContact CA-OG1 3.27Å; I88-T91 PolarHBondContact O-N 3.46Å; I88-T91 PolarHBondContact O-OG1 3.29Å; I88-L92 HydrophobicContact CG2-CD1 4Å; I88-L92 WeakPolarHBondContact O-CB 3.39Å; I88-L92 VanDerWaalsContact O-CG 3.32Å; I88-L92 WeakPolarHBondContact O-CG 3.44Å; I88-L92 PolarHBondContact O-N 2.89Å |
| 89 | V | 97.3 | Very high | 93.7 | Very high | 82 Ų | 82 | 103.3 Ų | 103.3 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 177.1 | 174 | 0 | 0 | 0 | 0 | 110.7 | M85 T91 L92 V93 | M85-V89 VanDerWaalsContact O-CG2 3.32Å; M85-V89 WeakPolarHBondContact O-CG2 3.33Å; M85-V89 PolarHBondContact O-N 2.86Å; V89-T91 PolarHBondContact O-N 3.32Å; V89-L92 PolarHBondContact O-N 2.87Å; V89-V93 HydrophobicContact CG1-CG2 4.45Å; V89-V93 WeakPolarHBondContact O-CG2 3.46Å; V89-V93 PolarHBondContact O-N 3.4Å |
| 90 | G | 97.1 | Very high | 92.6 | Very high | 39 Ų | 39 | 108.4 Ų | 108.4 | 40% | 0.402 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A86 S87 V93 L94 | A86-G90 PolarHBondContact O-N 2.93Å; S87-G90 PolarHBondContact O-N 3.44Å; G90-V93 PolarHBondContact O-N 2.92Å; G90-L94 WeakPolarHBondContact O-CB 3.42Å; G90-L94 PolarHBondContact O-N 2.81Å |
| 91 | T | 96.1 | Very high | 91.1 | Very high | 80 Ų | 80 | 114.4 Ų | 114.4 | 49% | 0.491 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.7 | -37.8 | 176.9 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | S87 I88 V89 L94 Y95 | S87-T91 WeakPolarHBondContact O-CG2 3.32Å; S87-T91 PolarHBondContact O-N 2.94Å; S87-T91 PolarHBondContact O-OG1 3.42Å; I88-T91 WeakPolarHBondContact CA-OG1 3.27Å; I88-T91 PolarHBondContact O-N 3.46Å; I88-T91 PolarHBondContact O-OG1 3.29Å; V89-T91 PolarHBondContact O-N 3.32Å; T91-L94 PolarHBondContact O-N 3.27Å; T91-Y95 WeakPolarHBondContact O-CB 3.31Å; T91-Y95 PolarHBondContact O-N 2.96Å |
| 92 | L | 96.3 | Very high | 89.9 | Confident | 98 Ų | 98 | 112.4 Ų | 112.4 | 51% | 0.513 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 174.4 | -75.5 | 169.3 | 0 | 0 | 0 | 112.3 | I88 V89 Y95 R96 | I88-L92 HydrophobicContact CG2-CD1 4Å; I88-L92 WeakPolarHBondContact O-CB 3.39Å; I88-L92 VanDerWaalsContact O-CG 3.32Å; I88-L92 WeakPolarHBondContact O-CG 3.44Å; I88-L92 PolarHBondContact O-N 2.89Å; V89-L92 PolarHBondContact O-N 2.87Å; L92-Y95 PolarHBondContact O-N 3.03Å; L92-R96 WeakPolarHBondContact O-CB 3.25Å; L92-R96 VanDerWaalsContact O-CG 3.25Å; L92-R96 WeakPolarHBondContact O-CG 3.32Å; L92-R96 PolarHBondContact O-N 3.46Å |
| 93 | V | 95 | Very high | 89 | Confident | 98 Ų | 98 | 107.6 Ų | 107.6 | 59% | 0.594 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.1 | -46.4 | 176.2 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | V89 G90 Y95 R96 Y97 | V89-V93 HydrophobicContact CG1-CG2 4.45Å; V89-V93 WeakPolarHBondContact O-CG2 3.46Å; V89-V93 PolarHBondContact O-N 3.4Å; G90-V93 PolarHBondContact O-N 2.92Å; V93-Y95 PolarHBondContact O-N 2.86Å; V93-R96 PolarHBondContact O-N 3.28Å; V93-Y97 WeakPolarHBondContact O-CB 3.32Å; V93-Y97 PolarHBondContact O-N 3.48Å |
| 94 | L | 92.1 | Very high | 88.2 | Confident | 105 Ų | 105 | 105.4 Ų | 105.4 | 55% | 0.55 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 176.8 | -176 | 64.9 | 0 | 0 | 0 | 111.4 | G90 T91 R96 Y97 M98 | G90-L94 WeakPolarHBondContact O-CB 3.42Å; G90-L94 PolarHBondContact O-N 2.81Å; T91-L94 PolarHBondContact O-N 3.27Å; L94-R96 PolarHBondContact O-N 2.94Å; L94-Y97 WeakPolarHBondContact O-CB 3.37Å; L94-Y97 PolarHBondContact O-N 3.36Å; L94-M98 HydrophobicContact CD1-CG 4.27Å; L94-M98 HydrophobicContact CG-CG 4.37Å; L94-M98 WeakPolarHBondContact O-CB 3.37Å; L94-M98 VanDerWaalsContact O-CG 3.26Å; L94-M98 WeakPolarHBondContact O-CG 3.21Å; L94-M98 PolarHBondContact O-N 3.17Å |
| 95 | Y | 90.1 | Very high | 87.6 | Confident | 155 Ų | 155 | 105.2 Ų | 105.2 | 61% | 0.608 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.2 | -45.3 | 176 | 179 | -101.1 | 0 | 0 | 0 | 111.5 | T91 L92 V93 Y97 M98 T99 | T91-Y95 WeakPolarHBondContact O-CB 3.31Å; T91-Y95 PolarHBondContact O-N 2.96Å; L92-Y95 PolarHBondContact O-N 3.03Å; V93-Y95 PolarHBondContact O-N 2.86Å; Y95-Y97 VanDerWaalsContact C-N 3.31Å; Y95-Y97 PolarHBondContact O-N 3.4Å; Y95-M98 PolarHBondContact O-N 2.67Å; Y95-T99 HydrophobicContact CD1-CG2 4.4Å; Y95-T99 HydrophobicContact CD2-CG2 4.22Å; Y95-T99 HydrophobicContact CE1-CG2 4.02Å; Y95-T99 HydrophobicContact CE2-CG2 3.83Å; Y95-T99 HydrophobicContact CG-CG2 4.49Å; Y95-T99 WeakPolarHBondContact O-CB 3.47Å; Y95-T99 WeakPolarHBondContact O-CG2 3.4Å; Y95-T99 PolarHBondContact O-N 3.46Å; Y95-T99 PolarHBondContact O-OG1 3.41Å |
| 96 | R | 88.7 | Confident | 86.9 | Confident | 172 Ų | 172 | 101.3 Ų | 101.3 | 65% | 0.649 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.2 | -35.3 | 175.3 | -71.8 | -67.4 | -171.9 | 123.5 | 3.7 | 112.6 | L92 V93 L94 T99 R100 | L92-R96 WeakPolarHBondContact O-CB 3.25Å; L92-R96 VanDerWaalsContact O-CG 3.25Å; L92-R96 WeakPolarHBondContact O-CG 3.32Å; L92-R96 PolarHBondContact O-N 3.46Å; V93-R96 PolarHBondContact O-N 3.28Å; L94-R96 PolarHBondContact O-N 2.94Å; R96-T99 WeakPolarHBondContact CA-OG1 3.26Å; R96-T99 PolarHBondContact O-OG1 3.41Å; R96-R100 WeakPolarHBondContact O-CB 3.45Å; R96-R100 VanDerWaalsContact O-CG 3.31Å; R96-R100 WeakPolarHBondContact O-CG 3.49Å; R96-R100 PolarHBondContact O-N 3.45Å |
| 97 | Y | 85.4 | Confident | 86.2 | Confident | 178 Ų | 178 | 103 Ų | 103 | 70% | 0.698 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.4 | -50.2 | 175.9 | -178.2 | -100.3 | 0 | 0 | 0 | 110.9 | V93 L94 Y95 T99 R100 | V93-Y97 WeakPolarHBondContact O-CB 3.32Å; V93-Y97 PolarHBondContact O-N 3.48Å; L94-Y97 WeakPolarHBondContact O-CB 3.37Å; L94-Y97 PolarHBondContact O-N 3.36Å; Y95-Y97 VanDerWaalsContact C-N 3.31Å; Y95-Y97 PolarHBondContact O-N 3.4Å; Y97-T99 VanDerWaalsContact C-N 3.31Å; Y97-T99 PolarHBondContact O-N 2.87Å; Y97-R100 PolarHBondContact O-N 2.84Å |
| 98 | M | 80.3 | Confident | 85.4 | Confident | 131 Ų | 131 | 103.6 Ų | 103.6 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.9 | -30.5 | -180 | -65.1 | -65.8 | -76.9 | 0 | 0 | 113 | L94 Y95 | L94-M98 HydrophobicContact CD1-CG 4.27Å; L94-M98 HydrophobicContact CG-CG 4.37Å; L94-M98 WeakPolarHBondContact O-CB 3.37Å; L94-M98 VanDerWaalsContact O-CG 3.26Å; L94-M98 WeakPolarHBondContact O-CG 3.21Å; L94-M98 PolarHBondContact O-N 3.17Å; Y95-M98 PolarHBondContact O-N 2.67Å |
| 99 | T | 76.8 | Confident | 84.7 | Confident | 65 Ų | 65 | 103.7 Ų | 103.7 | 40% | 0.399 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -87.2 | -9.3 | 179.9 | 50.7 | 0 | 0 | 0 | 0 | 114.4 | Y95 R96 Y97 R101 | Y95-T99 HydrophobicContact CD1-CG2 4.4Å; Y95-T99 HydrophobicContact CD2-CG2 4.22Å; Y95-T99 HydrophobicContact CE1-CG2 4.02Å; Y95-T99 HydrophobicContact CE2-CG2 3.83Å; Y95-T99 HydrophobicContact CG-CG2 4.49Å; Y95-T99 WeakPolarHBondContact O-CB 3.47Å; Y95-T99 WeakPolarHBondContact O-CG2 3.4Å; Y95-T99 PolarHBondContact O-N 3.46Å; Y95-T99 PolarHBondContact O-OG1 3.41Å; R96-T99 WeakPolarHBondContact CA-OG1 3.26Å; R96-T99 PolarHBondContact O-OG1 3.41Å; Y97-T99 VanDerWaalsContact C-N 3.31Å; Y97-T99 PolarHBondContact O-N 2.87Å; T99-R101 PolarHBondContact O-N 3.32Å |
| 100 | R | 72.8 | Confident | 83.8 | Confident | 208 Ų | 208 | 102 Ų | 102 | 79% | 0.785 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -67.2 | -36 | -169.7 | -106.2 | -177.5 | -169.4 | -170 | 5.4 | 113.9 | R96 Y97 | R96-R100 WeakPolarHBondContact O-CB 3.45Å; R96-R100 VanDerWaalsContact O-CG 3.31Å; R96-R100 WeakPolarHBondContact O-CG 3.49Å; R96-R100 PolarHBondContact O-N 3.45Å; Y97-R100 PolarHBondContact O-N 2.84Å |
| 101 | R | 66.5 | Low | 82.9 | Confident | 217 Ų | 217 | 106.9 Ų | 106.9 | 82% | 0.819 | 53% | 0.533 | S | S | * | . | trans | -162.3 | 96.2 | 172.7 | -64.8 | -163.7 | -176.8 | -157.3 | -0.5 | 109.8 | T99 V103 | T99-R101 PolarHBondContact O-N 3.32Å; R101-V103 PolarHBondContact O-N 2.76Å | ||
| 102 | P | 71.4 | Confident | 81.9 | Confident | 43 Ų | 43 | 103.1 Ų | 103.1 | 28% | 0.279 | 51% | 0.51 | S | S | . | . | trans | -74.9 | 67.3 | 172.9 | 32.9 | -36.2 | 0 | 0 | 0 | 110.2 | F104 T131 | P102-F104 HydrophobicContact CB-CD2 4.3Å; P102-F104 HydrophobicContact CB-CE2 3.7Å; P102-F104 HydrophobicContact CB-CZ 4.15Å; P102-T131 WeakPolarHBondContact CG-OG1 3.38Å | ||
| 103 | V | 79.1 | Confident | 80.7 | Confident | 69 Ų | 69 | 102.1 Ų | 102.1 | 42% | 0.418 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 113 | 162.7 | -178.1 | 0 | 0 | 0 | 0 | 106.3 | R101 V105 V129 D130 | R101-V103 PolarHBondContact O-N 2.76Å; V103-V105 HydrophobicContact CG1-CG2 4.32Å; V103-V129 WeakPolarHBondContact CA-O 3.47Å; V103-D130 HydrophobicContact CG2-CB 4.34Å |
| 104 | F | 80.7 | Confident | 79.4 | Confident | 57 Ų | 57 | 99.8 Ų | 99.8 | 25% | 0.25 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 119 | -179.6 | -74.8 | -70.2 | 0 | 0 | 0 | 108.9 | P102 E128 V129 T131 L198 | P102-F104 HydrophobicContact CB-CD2 4.3Å; P102-F104 HydrophobicContact CB-CE2 3.7Å; P102-F104 HydrophobicContact CB-CZ 4.15Å; F104-E128 CarbonylContact O-C 3.5Å; F104-E128 WeakPolarHBondContact O-CA 3.29Å; F104-V129 HydrophobicContact CB-CB 4.29Å; F104-V129 PolarHBondContact N-O 2.64Å; F104-V129 PolarHBondContact O-N 2.65Å; F104-T131 HydrophobicContact CD2-CG2 4.17Å; F104-T131 HydrophobicContact CE2-CG2 4.22Å; F104-L198 HydrophobicContact CB-CB 3.67Å; F104-L198 HydrophobicContact CB-CD1 4.03Å; F104-L198 HydrophobicContact CB-CD2 3.73Å; F104-L198 HydrophobicContact CB-CG 3.96Å; F104-L198 HydrophobicContact CD1-CB 3.51Å; F104-L198 HydrophobicContact CD1-CD2 3.37Å; F104-L198 HydrophobicContact CD1-CG 4Å; F104-L198 HydrophobicContact CD2-CB 3.65Å; F104-L198 HydrophobicContact CE1-CB 3.97Å; F104-L198 HydrophobicContact CE1-CD2 4.19Å; F104-L198 HydrophobicContact CE2-CB 4.08Å; F104-L198 HydrophobicContact CG-CB 3.32Å; F104-L198 HydrophobicContact CG-CD2 3.78Å; F104-L198 HydrophobicContact CG-CG 4.01Å; F104-L198 HydrophobicContact CZ-CB 4.24Å |
| 105 | V | 84.6 | Confident | 78 | Confident | 99 Ų | 99 | 99.9 Ų | 99.9 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126.9 | 177.1 | -173.3 | 0 | 0 | 0 | 0 | 108.1 | V103 V127 E128 | V103-V105 HydrophobicContact CG1-CG2 4.32Å; V105-V127 WeakPolarHBondContact CA-O 3.16Å; V105-E128 HydrophobicContact CG1-CG 4.2Å; V105-E128 HydrophobicContact CG2-CG 4.19Å |
| 106 | G | 82.8 | Confident | 76.8 | Confident | 25 Ų | 25 | 97.5 Ų | 97.5 | 26% | 0.258 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 150.4 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | V127 | G106-V127 PolarHBondContact N-O 2.98Å; G106-V127 PolarHBondContact O-N 2.83Å |
| 107 | S | 81.8 | Confident | 75.6 | Confident | 86 Ų | 86 | 92 Ų | 92 | 60% | 0.601 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 129.3 | 172.4 | 59.4 | 0 | 0 | 0 | 0 | 108.8 | Q125 | S107-Q125 CarbonylContact C-O 3.56Å; S107-Q125 WeakPolarHBondContact CA-O 3.43Å |
| 108 | C | 80.3 | Confident | 74.7 | Confident | 83 Ų | 83 | 90.8 Ų | 90.8 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127.2 | 170.3 | -170.8 | 0 | 0 | 0 | 0 | 108 | A124 Q125 | C108-A124 WeakPolarHBondContact O-CA 3.49Å; C108-Q125 PolarHBondContact N-O 2.86Å; C108-Q125 PolarHBondContact O-N 2.88Å |
| 109 | V | 82.9 | Confident | 74 | Confident | 87 Ų | 87 | 89.7 Ų | 89.7 | 53% | 0.527 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130.1 | 178.7 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | A122 L123 A124 | V109-A122 HydrophobicContact CG1-CB 4.2Å; V109-L123 WeakPolarHBondContact CA-O 3.5Å; V109-A124 HydrophobicContact CG2-CB 3.91Å |
| 110 | T | 79.7 | Confident | 73.8 | Confident | 48 Ų | 48 | 90.9 Ų | 90.9 | 29% | 0.294 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143.8 | 168.3 | -176 | 0 | 0 | 0 | 0 | 109.5 | V112 L123 | T110-V112 HydrophobicContact CG2-CG2 4.08Å; T110-L123 HydrophobicContact CG2-CB 3.99Å; T110-L123 HydrophobicContact CG2-CD1 4.43Å; T110-L123 PolarHBondContact N-O 3.25Å; T110-L123 PolarHBondContact O-N 3.42Å |
| 111 | E | 78.7 | Confident | 73.9 | Confident | 141 Ų | 141 | 83.4 Ų | 83.4 | 66% | 0.659 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 124.1 | 175.5 | -67.1 | -177.1 | 178.5 | 0 | 0 | 108.5 | ||
| 112 | V | 74.3 | Confident | 74.4 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 140.4 | -176.2 | 171.1 | 0 | 0 | 0 | 0 | 109.6 | T110 D114 V121 L123 F279 D283 V285 | T110-V112 HydrophobicContact CG2-CG2 4.08Å; V112-D114 PolarHBondContact O-N 3.23Å; V112-V121 PolarHBondContact N-O 3.01Å; V112-V121 PolarHBondContact O-N 3.39Å; V112-L123 HydrophobicContact CB-CD1 3.51Å; V112-L123 HydrophobicContact CB-CG 4.23Å; V112-L123 HydrophobicContact CG1-CD1 4.07Å; V112-L123 HydrophobicContact CG2-CD1 3.33Å; V112-L123 HydrophobicContact CG2-CG 4.26Å; V112-F279 HydrophobicContact CG1-CD2 4.44Å; V112-F279 HydrophobicContact CG1-CE2 4.41Å; V112-F279 HydrophobicContact CG2-CD2 3.98Å; V112-F279 HydrophobicContact CG2-CE2 3.45Å; V112-F279 VanDerWaalsContact CG2-CE2 3.45Å; V112-F279 HydrophobicContact CG2-CZ 4.29Å; V112-D283 WeakPolarHBondContact CG1-O 3.42Å; V112-V285 HydrophobicContact CG1-CB 4.47Å; V112-V285 HydrophobicContact CG1-CG2 3.59Å |
| 113 | V | 71.5 | Confident | 74.7 | Confident | 78 Ų | 78 | 74.5 Ų | 74.5 | 47% | 0.473 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 117.7 | 174.7 | -174.7 | 0 | 0 | 0 | 0 | 107.9 | D283 | V113-D283 PolarHBondContact N-O 2.91Å |
| 114 | D | 66.7 | Low | 74.9 | Confident | 48 Ų | 48 | 73.4 Ų | 73.4 | 26% | 0.257 | 45% | 0.448 | S | S | . | . | trans | -61.8 | 158.3 | 172 | -96.1 | -5.1 | 0 | 0 | 0 | 110.7 | V112 T116 G117 V121 | V112-D114 PolarHBondContact O-N 3.23Å; D114-T116 PolarHBondContact O-N 2.52Å; D114-G117 PolarHBondContact O-N 3.18Å; D114-V121 HydrophobicContact CB-CG2 4.38Å; D114-V121 WeakPolarHBondContact OD2-CG2 3.26Å | ||
| 115 | N | 63.5 | Low | 75 | Confident | 107 Ų | 107 | 74.1 Ų | 74.1 | 57% | 0.572 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -22.1 | 178.6 | -74.2 | -62.1 | 0 | 0 | 0 | 114.3 | G117 V285 M287 | N115-G117 PolarHBondContact O-N 2.9Å; N115-V285 PolarHBondContact ND2-O 3.39Å; N115-V285 PolarHBondContact OD1-O 2.85Å; N115-V285 VanDerWaalsContact OD1-O 3.06Å; N115-M287 VanDerWaalsContact ND2-CG 3.29Å; N115-M287 WeakPolarHBondContact ND2-CG 3.5Å |
| 116 | T | 63.5 | Low | 75.2 | Confident | 106 Ų | 106 | 72.1 Ų | 72.1 | 65% | 0.65 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -15.7 | 176.2 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | D114 E118 | D114-T116 PolarHBondContact O-N 2.52Å; T116-E118 PolarHBondContact O-N 3.24Å |
| 117 | G | 64.4 | Low | 75.4 | Confident | 56 Ų | 56 | 72.2 Ų | 72.2 | 58% | 0.577 | 43% | 0.434 | S | S | * | . | S | Bend | trans | 65.5 | 4.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D114 N115 | D114-G117 PolarHBondContact O-N 3.18Å; N115-G117 PolarHBondContact O-N 2.9Å |
| 118 | E | 65.9 | Low | 75.6 | Confident | 153 Ų | 153 | 71 Ų | 71 | 72% | 0.715 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -96.5 | -30.9 | -163.2 | -159.1 | 169.5 | -169.8 | 0 | 0 | 112.5 | T116 | T116-E118 PolarHBondContact O-N 3.24Š|
| 119 | N | 65.9 | Low | 75.8 | Confident | 107 Ų | 107 | 67.1 Ų | 67.1 | 57% | 0.572 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -144 | 134.2 | 177.5 | -64 | -66.1 | 0 | 0 | 0 | 111.3 | V121 | N119-V121 PolarHBondContact O-N 3.32Š|
| 120 | P | 72.1 | Confident | 75.8 | Confident | 91 Ų | 91 | 64.7 Ų | 64.7 | 59% | 0.591 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 131 | 169.1 | 28.9 | -32.5 | 0 | 0 | 0 | 109.3 | ||
| 121 | V | 75.3 | Confident | 75.7 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 30% | 0.303 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.1 | 175.7 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | V112 D114 N119 L123 | V112-V121 PolarHBondContact N-O 3.01Å; V112-V121 PolarHBondContact O-N 3.39Å; D114-V121 HydrophobicContact CB-CG2 4.38Å; D114-V121 WeakPolarHBondContact OD2-CG2 3.26Å; N119-V121 PolarHBondContact O-N 3.32Å; V121-L123 HydrophobicContact CG1-CD2 4.18Å; V121-L123 PolarHBondContact O-N 3.4Å |
| 122 | A | 77.4 | Confident | 75.5 | Confident | 63 Ų | 63 | 59.3 Ų | 59.3 | 52% | 0.521 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 113.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | V109 | V109-A122 HydrophobicContact CG1-CB 4.2Å |
| 123 | L | 77.7 | Confident | 75.6 | Confident | 10 Ų | 10 | 63.2 Ų | 63.2 | 5% | 0.052 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 104.2 | 175.3 | -58.8 | 171.4 | 0 | 0 | 0 | 108.3 | V109 T110 V112 V121 P141 F143 F279 V285 | V109-L123 WeakPolarHBondContact CA-O 3.5Å; T110-L123 HydrophobicContact CG2-CB 3.99Å; T110-L123 HydrophobicContact CG2-CD1 4.43Å; T110-L123 PolarHBondContact N-O 3.25Å; T110-L123 PolarHBondContact O-N 3.42Å; V112-L123 HydrophobicContact CB-CD1 3.51Å; V112-L123 HydrophobicContact CB-CG 4.23Å; V112-L123 HydrophobicContact CG1-CD1 4.07Å; V112-L123 HydrophobicContact CG2-CD1 3.33Å; V112-L123 HydrophobicContact CG2-CG 4.26Å; V121-L123 HydrophobicContact CG1-CD2 4.18Å; V121-L123 PolarHBondContact O-N 3.4Å; L123-P141 HydrophobicContact CB-CB 4.42Å; L123-P141 HydrophobicContact CB-CG 4.26Å; L123-P141 HydrophobicContact CD2-CB 4.37Å; L123-F143 HydrophobicContact CB-CE1 4.22Å; L123-F143 HydrophobicContact CD1-CD1 3.64Å; L123-F143 HydrophobicContact CD1-CE1 3.56Å; L123-F143 HydrophobicContact CD2-CD1 3.45Å; L123-F143 VanDerWaalsContact CD2-CD1 3.45Å; L123-F143 HydrophobicContact CD2-CE1 3.68Å; L123-F143 HydrophobicContact CG-CD1 4.1Å; L123-F143 HydrophobicContact CG-CE1 3.99Å; L123-F279 HydrophobicContact CD1-CD2 4.5Å; L123-V285 HydrophobicContact CD1-CG2 4.39Å |
| 124 | A | 82.3 | Confident | 76 | Confident | 46 Ų | 46 | 64 Ų | 64 | 38% | 0.38 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 118.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | C108 V109 | C108-A124 WeakPolarHBondContact O-CA 3.49Å; V109-A124 HydrophobicContact CG2-CB 3.91Å |
| 125 | Q | 84.2 | Confident | 76.8 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 34% | 0.341 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123 | 171.1 | 179.6 | -177.9 | -26.5 | 0 | 0 | 109.2 | S107 C108 V127 I138 P141 | S107-Q125 CarbonylContact C-O 3.56Å; S107-Q125 WeakPolarHBondContact CA-O 3.43Å; C108-Q125 PolarHBondContact N-O 2.86Å; C108-Q125 PolarHBondContact O-N 2.88Å; Q125-V127 HydrophobicContact CG-CG2 4.06Å; Q125-I138 HydrophobicContact CG-CG2 4.01Å; Q125-I138 VanDerWaalsContact NE2-CG2 3.3Å; Q125-P141 HydrophobicContact CB-CG 4.45Å |
| 126 | N | 88.5 | Confident | 77.9 | Confident | 57 Ų | 57 | 58.4 Ų | 58.4 | 31% | 0.305 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.8 | 173 | -61 | -38.9 | 0 | 0 | 0 | 109.4 | Q139 | N126-Q139 HydrophobicContact CB-CB 4.2Å; N126-Q139 HydrophobicContact CB-CG 4.39Å; N126-Q139 PolarHBondContact ND2-OE1 3.39Å; N126-Q139 PolarHBondContact O-N 3.5Å |
| 127 | V | 86.8 | Confident | 79.1 | Confident | 26 Ų | 26 | 55 Ų | 55 | 16% | 0.158 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125.3 | 179.2 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | V105 G106 Q125 V129 K137 I138 | V105-V127 WeakPolarHBondContact CA-O 3.16Å; G106-V127 PolarHBondContact N-O 2.98Å; G106-V127 PolarHBondContact O-N 2.83Å; Q125-V127 HydrophobicContact CG-CG2 4.06Å; V127-V129 HydrophobicContact CG1-CG2 3.94Å; V127-K137 WeakPolarHBondContact CA-O 3.42Å; V127-I138 HydrophobicContact CG1-CG1 4.42Å; V127-I138 HydrophobicContact CG2-CG1 4.49Å; V127-I138 HydrophobicContact CG2-CG2 4.47Å |
| 128 | E | 86.6 | Confident | 80.3 | Confident | 62 Ų | 62 | 53.6 Ų | 53.6 | 29% | 0.29 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 123.9 | 175.1 | -63.1 | 173.4 | -158.5 | 0 | 0 | 108.2 | F104 V105 K137 | F104-E128 CarbonylContact O-C 3.5Å; F104-E128 WeakPolarHBondContact O-CA 3.29Å; V105-E128 HydrophobicContact CG1-CG 4.2Å; V105-E128 HydrophobicContact CG2-CG 4.19Å; E128-K137 HydrophobicContact CB-CB 4.22Å; E128-K137 PolarHBondContact N-O 3.34Å; E128-K137 PolarHBondContact O-N 3.22Å |
| 129 | V | 83.9 | Confident | 81.4 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 116.7 | -178.6 | 178.4 | 0 | 0 | 0 | 0 | 109 | V103 F104 V127 T131 E136 P195 | V103-V129 WeakPolarHBondContact CA-O 3.47Å; F104-V129 HydrophobicContact CB-CB 4.29Å; F104-V129 PolarHBondContact N-O 2.64Å; F104-V129 PolarHBondContact O-N 2.65Å; V127-V129 HydrophobicContact CG1-CG2 3.94Å; V129-T131 HydrophobicContact CG1-CG2 4.09Å; V129-E136 HydrophobicContact CG2-CG 4.32Å; V129-P195 HydrophobicContact CG1-CB 3.37Å; V129-P195 HydrophobicContact CG1-CG 3.57Å |
| 130 | D | 82.9 | Confident | 82.4 | Confident | 36 Ų | 36 | 46.7 Ų | 46.7 | 19% | 0.193 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 101.6 | 170.6 | -174.3 | -11.2 | 0 | 0 | 0 | 109.1 | V103 G132 N133 H134 V135 | V103-D130 HydrophobicContact CG2-CB 4.34Å; D130-G132 PolarHBondContact O-N 2.83Å; D130-G132 WeakPolarHBondContact OD1-CA 3.43Å; D130-G132 PolarHBondContact OD1-N 2.81Å; D130-N133 PolarHBondContact OD1-N 2.78Å; D130-N133 PolarHBondContact OD2-ND2 2.81Å; D130-H134 WeakPolarHBondContact O-CA 3.38Å; D130-H134 PolarHBondContact O-N 3.17Å; D130-V135 HydrophobicContact CB-CB 4.48Å; D130-V135 PolarHBondContact N-O 2.85Å; D130-V135 PolarHBondContact O-N 3.43Å |
| 131 | T | 77 | Confident | 82.7 | Confident | 23 Ų | 23 | 43.4 Ų | 43.4 | 14% | 0.141 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -17.1 | 178.8 | 58.5 | 0 | 0 | 0 | 0 | 113 | P102 F104 V129 | P102-T131 WeakPolarHBondContact CG-OG1 3.38Å; F104-T131 HydrophobicContact CD2-CG2 4.17Å; F104-T131 HydrophobicContact CE2-CG2 4.22Å; V129-T131 HydrophobicContact CG1-CG2 4.09Å |
| 132 | G | 75.5 | Confident | 82.7 | Confident | 53 Ų | 53 | 43.6 Ų | 43.6 | 55% | 0.546 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -43.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D130 | D130-G132 PolarHBondContact O-N 2.83Å; D130-G132 WeakPolarHBondContact OD1-CA 3.43Å; D130-G132 PolarHBondContact OD1-N 2.81Å |
| 133 | N | 76.3 | Confident | 82.5 | Confident | 82 Ų | 82 | 42.2 Ų | 42.2 | 44% | 0.439 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -3.7 | 177.6 | -66.1 | -47.6 | 0 | 0 | 0 | 113.5 | D130 V135 M156 | D130-N133 PolarHBondContact OD1-N 2.78Å; D130-N133 PolarHBondContact OD2-ND2 2.81Å; N133-V135 HydrophobicContact CB-CG2 4.03Å; N133-M156 WeakPolarHBondContact O-CG 3.13Å |
| 134 | H | 79.3 | Confident | 82.2 | Confident | 93 Ų | 93 | 44.1 Ų | 44.1 | 43% | 0.431 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 54.6 | -172.5 | -54.2 | -65.8 | 0 | 0 | 0 | 111.6 | D130 F155 | D130-H134 WeakPolarHBondContact O-CA 3.38Å; D130-H134 PolarHBondContact O-N 3.17Å; H134-F155 HydrophobicContact CB-CB 4.05Å; H134-F155 WeakPolarHBondContact O-CB 3.14Å; H134-F155 VanDerWaalsContact O-CD2 3.29Å; H134-F155 WeakPolarHBondContact O-CD2 3.21Å; H134-F155 PolarHBondContact O-N 3.5Å |
| 135 | V | 83.7 | Confident | 81.8 | Confident | 11 Ų | 11 | 46 Ų | 46 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 137.7 | 178.7 | 174.7 | 0 | 0 | 0 | 0 | 109 | D130 N133 V152 H153 E240 | D130-V135 HydrophobicContact CB-CB 4.48Å; D130-V135 PolarHBondContact N-O 2.85Å; D130-V135 PolarHBondContact O-N 3.43Å; N133-V135 HydrophobicContact CB-CG2 4.03Å; V135-V152 HydrophobicContact CG1-CG1 3.82Å; V135-H153 WeakPolarHBondContact CA-O 3.34Å; V135-E240 HydrophobicContact CG1-CB 4.33Å; V135-E240 HydrophobicContact CG1-CG 3.82Å; V135-E240 HydrophobicContact CG2-CB 4.35Å |
| 136 | E | 85.9 | Confident | 81.4 | Confident | 27 Ų | 27 | 44.5 Ų | 44.5 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 129.5 | 171.3 | 175.6 | -179.3 | -159.3 | 0 | 0 | 109.2 | V129 I138 V152 H153 F155 | V129-E136 HydrophobicContact CG2-CG 4.32Å; E136-I138 HydrophobicContact CG-CD1 4.21Å; E136-I138 HydrophobicContact CG-CG1 3.95Å; E136-V152 CarbonylContact O-C 3.56Å; E136-V152 VanDerWaalsContact O-CA 3.31Å; E136-V152 WeakPolarHBondContact O-CA 3.24Å; E136-H153 HydrophobicContact CB-CB 4.33Å; E136-H153 PolarHBondContact N-O 3.29Å; E136-H153 PolarHBondContact O-N 3.34Å; E136-H153 IonicContact OE2-CD2 2.64Å; E136-F155 HydrophobicContact CB-CE2 3.9Å |
| 137 | K | 89.6 | Confident | 81.1 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122.5 | 178.6 | 175.2 | 176.3 | -164.1 | 168.5 | 0 | 109.2 | V127 E128 T150 F151 V152 E244 | V127-K137 WeakPolarHBondContact CA-O 3.42Å; E128-K137 HydrophobicContact CB-CB 4.22Å; E128-K137 PolarHBondContact N-O 3.34Å; E128-K137 PolarHBondContact O-N 3.22Å; K137-T150 HydrophobicContact CD-CG2 4.4Å; K137-T150 HydrophobicContact CG-CG2 3.79Å; K137-F151 CarbonylContact C-O 3.59Å; K137-F151 WeakPolarHBondContact CA-O 3.42Å; K137-V152 HydrophobicContact CB-CG2 4.45Å; K137-V152 HydrophobicContact CG-CG2 4.15Å; K137-E244 IonicContact NZ-OE1 3.69Å; K137-E244 PolarHBondContact NZ-OE1 3.43Å |
| 138 | I | 88.9 | Confident | 81 | Confident | 26 Ų | 26 | 49.7 Ų | 49.7 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 118.2 | -177.1 | -55.4 | 172.5 | 0 | 0 | 0 | 108.3 | Q125 V127 E136 V140 T150 F151 | Q125-I138 HydrophobicContact CG-CG2 4.01Å; Q125-I138 VanDerWaalsContact NE2-CG2 3.3Å; V127-I138 HydrophobicContact CG1-CG1 4.42Å; V127-I138 HydrophobicContact CG2-CG1 4.49Å; V127-I138 HydrophobicContact CG2-CG2 4.47Å; E136-I138 HydrophobicContact CG-CD1 4.21Å; E136-I138 HydrophobicContact CG-CG1 3.95Å; I138-V140 HydrophobicContact CG2-CG2 4.32Å; I138-T150 WeakPolarHBondContact O-CA 3.37Å; I138-F151 HydrophobicContact CB-CB 4.39Å; I138-F151 PolarHBondContact N-O 3.05Å; I138-F151 PolarHBondContact O-N 3.15Å |
| 139 | Q | 90 | Very high | 81.1 | Confident | 67 Ų | 67 | 47.6 Ų | 47.6 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 111 | 171.3 | -61.6 | 176.8 | 23.9 | 0 | 0 | 108.3 | N126 T150 | N126-Q139 HydrophobicContact CB-CB 4.2Å; N126-Q139 HydrophobicContact CB-CG 4.39Å; N126-Q139 PolarHBondContact ND2-OE1 3.39Å; N126-Q139 PolarHBondContact O-N 3.5Å; Q139-T150 HydrophobicContact CG-CG2 4.2Å |
| 140 | V | 85.7 | Confident | 81.5 | Confident | 47 Ų | 47 | 48.1 Ų | 48.1 | 29% | 0.285 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 126 | -179.9 | 175.8 | 0 | 0 | 0 | 0 | 108.7 | I138 F143 A149 F151 | I138-V140 HydrophobicContact CG2-CG2 4.32Å; V140-F143 HydrophobicContact CG1-CE2 3.83Å; V140-F143 HydrophobicContact CG1-CZ 4.34Å; V140-A149 PolarHBondContact N-O 3.39Å; V140-A149 VanDerWaalsContact N-O 3.09Å; V140-F151 HydrophobicContact CB-CD2 4.36Å; V140-F151 HydrophobicContact CB-CE2 4.3Å; V140-F151 HydrophobicContact CG2-CD2 3.4Å; V140-F151 HydrophobicContact CG2-CE2 3.58Å; V140-F151 HydrophobicContact CG2-CG 4.47Å |
| 141 | P | 79.1 | Confident | 81.8 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 15% | 0.149 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 147.2 | 176.5 | 14.2 | -16.4 | 0 | 0 | 0 | 110.7 | L123 Q125 F143 | L123-P141 HydrophobicContact CB-CB 4.42Å; L123-P141 HydrophobicContact CB-CG 4.26Å; L123-P141 HydrophobicContact CD2-CB 4.37Å; Q125-P141 HydrophobicContact CB-CG 4.45Å; P141-F143 HydrophobicContact CB-CE1 4.06Å; P141-F143 HydrophobicContact CB-CZ 4.27Å; P141-F143 HydrophobicContact CG-CE1 3.65Å; P141-F143 HydrophobicContact CG-CZ 3.59Å; P141-F143 WeakPolarHBondContact O-CD2 3.31Å; P141-F143 VanDerWaalsContact O-CE2 3.27Å; P141-F143 WeakPolarHBondContact O-CE2 3.47Å; P141-F143 PolarHBondContact O-N 2.85Å |
| 142 | A | 76.5 | Confident | 82.5 | Confident | 53 Ų | 53 | 48.3 Ų | 48.3 | 44% | 0.438 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 125.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | P148 | A142-P148 HydrophobicContact CB-CB 4.39Š|
| 143 | F | 73.2 | Confident | 83.1 | Confident | 34 Ų | 34 | 46.6 Ų | 46.6 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | trans | -108.5 | 128.3 | 171.6 | -43.3 | -71.7 | 0 | 0 | 0 | 107.4 | L123 V140 P141 N146 S277 V285 | L123-F143 HydrophobicContact CB-CE1 4.22Å; L123-F143 HydrophobicContact CD1-CD1 3.64Å; L123-F143 HydrophobicContact CD1-CE1 3.56Å; L123-F143 HydrophobicContact CD2-CD1 3.45Å; L123-F143 VanDerWaalsContact CD2-CD1 3.45Å; L123-F143 HydrophobicContact CD2-CE1 3.68Å; L123-F143 HydrophobicContact CG-CD1 4.1Å; L123-F143 HydrophobicContact CG-CE1 3.99Å; V140-F143 HydrophobicContact CG1-CE2 3.83Å; V140-F143 HydrophobicContact CG1-CZ 4.34Å; P141-F143 HydrophobicContact CB-CE1 4.06Å; P141-F143 HydrophobicContact CB-CZ 4.27Å; P141-F143 HydrophobicContact CG-CE1 3.65Å; P141-F143 HydrophobicContact CG-CZ 3.59Å; P141-F143 WeakPolarHBondContact O-CD2 3.31Å; P141-F143 VanDerWaalsContact O-CE2 3.27Å; P141-F143 WeakPolarHBondContact O-CE2 3.47Å; P141-F143 PolarHBondContact O-N 2.85Å; F143-N146 VanDerWaalsContact O-CB 3.29Å; F143-N146 WeakPolarHBondContact O-CB 3.36Å; F143-N146 PolarHBondContact O-N 2.84Å; F143-S277 VanDerWaalsContact C-OG 3.3Å; F143-S277 WeakPolarHBondContact O-CB 3.38Å; F143-S277 PolarHBondContact O-OG 3.44Å; F143-V285 HydrophobicContact CB-CG1 3.97Å; F143-V285 HydrophobicContact CB-CG2 4.3Å; F143-V285 HydrophobicContact CD1-CG2 4.41Å | ||
| 144 | G | 71.2 | Confident | 83.5 | Confident | 50 Ų | 50 | 43 Ų | 43 | 52% | 0.515 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | -134.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N146 | G144-N146 VanDerWaalsContact C-N 3.25Å; G144-N146 PolarHBondContact O-N 3.4Å |
| 145 | P | 73.1 | Confident | 83.6 | Confident | 86 Ų | 86 | 38.9 Ų | 38.9 | 56% | 0.558 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 7.6 | 179.3 | 34.4 | -37.3 | 0 | 0 | 0 | 114.8 | S277 M287 | P145-S277 WeakPolarHBondContact CD-OG 3.33Å; P145-M287 HydrophobicContact CG-CE 3.31Å; P145-M287 HydrophobicContact CG-SD 4.17Å |
| 146 | N | 76.8 | Confident | 83 | Confident | 41 Ų | 41 | 41.9 Ų | 41.9 | 22% | 0.219 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 149.3 | 179.9 | -73.5 | -7.7 | 0 | 0 | 0 | 111.7 | F143 G144 S277 | F143-N146 VanDerWaalsContact O-CB 3.29Å; F143-N146 WeakPolarHBondContact O-CB 3.36Å; F143-N146 PolarHBondContact O-N 2.84Å; G144-N146 VanDerWaalsContact C-N 3.25Å; G144-N146 PolarHBondContact O-N 3.4Å; N146-S277 PolarHBondContact ND2-O 2.9Å; N146-S277 PolarHBondContact ND2-OG 3.23Å; N146-S277 PolarHBondContact OD1-N 3.43Å; N146-S277 VanDerWaalsContact OD1-N 3.08Å; N146-S277 PolarHBondContact OD1-OG 3.41Å |
| 147 | R | 80.9 | Confident | 81.7 | Confident | 156 Ų | 156 | 47 Ų | 47 | 59% | 0.589 | 26% | 0.256 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 135.8 | 174.9 | -57.1 | -175.3 | -174.3 | -175.6 | 1.5 | 109.8 | A149 D176 L178 | R147-A149 PolarHBondContact O-N 3.12Å; R147-D176 IonicContact NH1-OD2 2.94Å; R147-L178 HydrophobicContact CB-CD1 4.17Å; R147-L178 HydrophobicContact CG-CD1 4.11Å |
| 148 | P | 85.6 | Confident | 79.9 | Confident | 37 Ų | 37 | 46.6 Ų | 46.6 | 24% | 0.24 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 134.5 | 172.4 | 30 | -34.6 | 0 | 0 | 0 | 109.5 | A142 L177 L178 | A142-P148 HydrophobicContact CB-CB 4.39Å; P148-L177 HydrophobicContact CB-CD1 4.23Å; P148-L177 HydrophobicContact CG-CB 4.43Å; P148-L177 PolarHBondContact O-N 3.37Å; P148-L178 HydrophobicContact CG-CD1 4.31Å; P148-L178 HydrophobicContact CG-CG 4.05Å |
| 149 | A | 88.3 | Confident | 77.8 | Confident | 18 Ų | 18 | 50 Ų | 50 | 15% | 0.149 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 149.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V140 R147 F151 I174 K175 | V140-A149 PolarHBondContact N-O 3.39Å; V140-A149 VanDerWaalsContact N-O 3.09Å; R147-A149 PolarHBondContact O-N 3.12Å; A149-F151 HydrophobicContact CB-CE2 4.07Å; A149-I174 HydrophobicContact CB-CG2 4.23Å; A149-K175 WeakPolarHBondContact CA-O 3.45Å |
| 150 | T | 91.3 | Very high | 75.4 | Confident | 11 Ų | 11 | 53.9 Ų | 53.9 | 7% | 0.067 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.8 | 171.6 | -53.4 | 0 | 0 | 0 | 0 | 108.7 | K137 I138 Q139 V152 K175 | K137-T150 HydrophobicContact CD-CG2 4.4Å; K137-T150 HydrophobicContact CG-CG2 3.79Å; I138-T150 WeakPolarHBondContact O-CA 3.37Å; Q139-T150 HydrophobicContact CG-CG2 4.2Å; T150-V152 HydrophobicContact CG2-CG2 4.13Å; T150-K175 PolarHBondContact N-O 3.11Å; T150-K175 PolarHBondContact O-N 2.69Å |
| 151 | F | 90.8 | Very high | 73.2 | Confident | 61 Ų | 61 | 56.8 Ų | 56.8 | 27% | 0.268 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 133.7 | 175 | -71.5 | -104.7 | 0 | 0 | 0 | 108.2 | K137 I138 V140 A149 T172 L173 I174 | K137-F151 CarbonylContact C-O 3.59Å; K137-F151 WeakPolarHBondContact CA-O 3.42Å; I138-F151 HydrophobicContact CB-CB 4.39Å; I138-F151 PolarHBondContact N-O 3.05Å; I138-F151 PolarHBondContact O-N 3.15Å; V140-F151 HydrophobicContact CB-CD2 4.36Å; V140-F151 HydrophobicContact CB-CE2 4.3Å; V140-F151 HydrophobicContact CG2-CD2 3.4Å; V140-F151 HydrophobicContact CG2-CE2 3.58Å; V140-F151 HydrophobicContact CG2-CG 4.47Å; A149-F151 HydrophobicContact CB-CE2 4.07Å; F151-T172 HydrophobicContact CD1-CG2 4.31Å; F151-L173 CarbonylContact C-O 3.58Å; F151-L173 WeakPolarHBondContact CA-O 3.5Å; F151-I174 HydrophobicContact CD1-CD1 4.16Å; F151-I174 HydrophobicContact CD1-CG1 3.75Å; F151-I174 HydrophobicContact CD1-CG2 4.48Å; F151-I174 HydrophobicContact CE1-CB 4.48Å; F151-I174 HydrophobicContact CE1-CD1 3.58Å; F151-I174 HydrophobicContact CE1-CG1 3.64Å; F151-I174 HydrophobicContact CE1-CG2 4.11Å; F151-I174 HydrophobicContact CE2-CG2 4.32Å; F151-I174 HydrophobicContact CZ-CD1 4.28Å; F151-I174 HydrophobicContact CZ-CG1 4.41Å; F151-I174 HydrophobicContact CZ-CG2 4.03Å |
| 152 | V | 90.7 | Very high | 71.7 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.018 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 115.7 | 178.8 | -168.9 | 0 | 0 | 0 | 0 | 108.4 | V135 E136 K137 T150 T172 L173 E240 | V135-V152 HydrophobicContact CG1-CG1 3.82Å; E136-V152 CarbonylContact O-C 3.56Å; E136-V152 VanDerWaalsContact O-CA 3.31Å; E136-V152 WeakPolarHBondContact O-CA 3.24Å; K137-V152 HydrophobicContact CB-CG2 4.45Å; K137-V152 HydrophobicContact CG-CG2 4.15Å; T150-V152 HydrophobicContact CG2-CG2 4.13Å; V152-T172 CarbonylContact O-C 3.45Å; V152-T172 WeakPolarHBondContact O-CA 2.93Å; V152-L173 HydrophobicContact CB-CB 4.16Å; V152-L173 HydrophobicContact CB-CD2 4.33Å; V152-L173 HydrophobicContact CB-CG 4.44Å; V152-L173 HydrophobicContact CG2-CD2 4.36Å; V152-L173 PolarHBondContact N-O 3.3Å; V152-L173 PolarHBondContact O-N 2.75Å; V152-E240 HydrophobicContact CG1-CB 4.48Å; V152-E240 HydrophobicContact CG1-CG 3.35Å |
| 153 | H | 87.9 | Confident | 70.6 | Confident | 16 Ų | 16 | 63.8 Ų | 63.8 | 7% | 0.074 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 113.4 | 177.2 | -56 | -58.4 | 0 | 0 | 0 | 108.5 | V135 E136 F155 T172 L187 | V135-H153 WeakPolarHBondContact CA-O 3.34Å; E136-H153 HydrophobicContact CB-CB 4.33Å; E136-H153 PolarHBondContact N-O 3.29Å; E136-H153 PolarHBondContact O-N 3.34Å; E136-H153 IonicContact OE2-CD2 2.64Å; H153-F155 HydrophobicContact CB-CD2 4.42Å; H153-F155 HydrophobicContact CB-CE2 3.75Å; H153-F155 HydrophobicContact CB-CZ 3.85Å; H153-T172 WeakPolarHBondContact ND1-CG2 3.2Å; H153-T172 PolarHBondContact ND1-OG1 3.12Å; H153-T172 VanDerWaalsContact ND1-OG1 3.15Å; H153-L187 HydrophobicContact CB-CD1 4.13Å; H153-L187 HydrophobicContact CB-CD2 4.43Å; H153-L187 VanDerWaalsContact ND1-CD1 3.3Å; H153-L187 WeakPolarHBondContact ND1-CD1 3.34Å |
| 154 | D | 85.9 | Confident | 69.6 | Low | 6 Ų | 6 | 67.3 Ų | 67.3 | 3% | 0.032 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 110.5 | 170.9 | -173.1 | -11 | 0 | 0 | 0 | 108.1 | M156 N170 I171 S238 | D154-M156 VanDerWaalsContact C-N 3.29Å; D154-M156 WeakPolarHBondContact OD1-CB 3.46Å; D154-M156 WeakPolarHBondContact OD1-CG 3.18Å; D154-M156 PolarHBondContact OD1-N 3.01Å; D154-N170 VanDerWaalsContact O-CA 3.25Å; D154-N170 WeakPolarHBondContact O-CA 3.44Å; D154-I171 PolarHBondContact N-O 3.39Å; D154-I171 PolarHBondContact O-N 2.04Å; D154-S238 WeakPolarHBondContact OD2-CB 3.41Å |
| 155 | F | 80 | Confident | 68.5 | Low | 8 Ų | 8 | 77 Ų | 77 | 4% | 0.035 | 41% | 0.405 | C | S | . | . | trans | -89.1 | 4.9 | 178.4 | -57 | -89.5 | 0 | 0 | 0 | 112.3 | H134 E136 H153 Q157 N170 L187 V192 P194 P195 | H134-F155 HydrophobicContact CB-CB 4.05Å; H134-F155 WeakPolarHBondContact O-CB 3.14Å; H134-F155 VanDerWaalsContact O-CD2 3.29Å; H134-F155 WeakPolarHBondContact O-CD2 3.21Å; H134-F155 PolarHBondContact O-N 3.5Å; E136-F155 HydrophobicContact CB-CE2 3.9Å; H153-F155 HydrophobicContact CB-CD2 4.42Å; H153-F155 HydrophobicContact CB-CE2 3.75Å; H153-F155 HydrophobicContact CB-CZ 3.85Å; F155-Q157 PolarHBondContact O-N 3.23Å; F155-N170 VanDerWaalsContact C-OD1 3.3Å; F155-N170 WeakPolarHBondContact CA-OD1 3.28Å; F155-N170 PolarHBondContact O-OD1 3.35Å; F155-L187 HydrophobicContact CD1-CD2 3.4Å; F155-L187 VanDerWaalsContact CD1-CD2 3.4Å; F155-L187 HydrophobicContact CE1-CD2 3.44Å; F155-L187 VanDerWaalsContact CE1-CD2 3.44Å; F155-L187 HydrophobicContact CG-CD2 4.2Å; F155-L187 HydrophobicContact CZ-CD2 4.25Å; F155-V192 HydrophobicContact CE1-CG1 4.05Å; F155-V192 HydrophobicContact CZ-CG1 3.78Å; F155-P194 HydrophobicContact CB-CB 4.29Å; F155-P194 HydrophobicContact CD1-CB 3.7Å; F155-P194 HydrophobicContact CD2-CB 4.45Å; F155-P194 VanDerWaalsContact CE1-CA 3.48Å; F155-P194 HydrophobicContact CE1-CB 4.06Å; F155-P194 HydrophobicContact CG-CB 3.91Å; F155-P195 HydrophobicContact CE2-CG 4.31Å | ||
| 156 | M | 70.9 | Confident | 67.6 | Low | 74 Ų | 74 | 78.3 Ų | 78.3 | 37% | 0.365 | 41% | 0.405 | S | S | . | . | trans | -64.6 | 136.2 | 177 | -71.3 | -172.6 | 68 | 0 | 0 | 111.4 | N133 D154 V158 | N133-M156 WeakPolarHBondContact O-CG 3.13Å; D154-M156 VanDerWaalsContact C-N 3.29Å; D154-M156 WeakPolarHBondContact OD1-CB 3.46Å; D154-M156 WeakPolarHBondContact OD1-CG 3.18Å; D154-M156 PolarHBondContact OD1-N 3.01Å; M156-V158 PolarHBondContact O-N 2.84Å | ||
| 157 | Q | 58.4 | Low | 66.4 | Low | 135 Ų | 135 | 80.1 Ų | 80.1 | 63% | 0.631 | 41% | 0.411 | S | S | * | . | trans | -79.5 | 88.3 | 178.8 | -162 | 176.7 | 39.7 | 0 | 0 | 110 | F155 C159 Q169 | F155-Q157 PolarHBondContact O-N 3.23Å; Q157-C159 PolarHBondContact O-N 3.49Å; Q157-Q169 HydrophobicContact CG-CB 4.17Å; Q157-Q169 HydrophobicContact CG-CG 3.56Å; Q157-Q169 VanDerWaalsContact NE2-NE2 3.18Å | ||
| 158 | V | 53.4 | Low | 65 | Low | 27 Ų | 27 | 75.8 Ų | 75.8 | 16% | 0.164 | 41% | 0.405 | C | S | . | . | trans | -68.5 | 130 | 176.5 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | M156 L236 | M156-V158 PolarHBondContact O-N 2.84Å; V158-L236 VanDerWaalsContact CG1-O 3.25Å; V158-L236 WeakPolarHBondContact CG1-O 2.92Å; V158-L236 VanDerWaalsContact CG2-O 3.24Å; V158-L236 WeakPolarHBondContact CG2-O 3.27Å | ||
| 159 | C | 43.9 | Very low | 63.8 | Low | 97 Ų | 97 | 77.4 Ų | 77.4 | 66% | 0.655 | 41% | 0.409 | S | S | * | . | trans | -79 | 124.7 | -175.8 | -142.9 | 0 | 0 | 0 | 0 | 111 | Q157 T161 | Q157-C159 PolarHBondContact O-N 3.49Å; C159-T161 PolarHBondContact O-N 2.96Å | ||
| 160 | K | 39.9 | Very low | 63.3 | Low | 149 Ų | 149 | 77 Ų | 77 | 65% | 0.648 | 40% | 0.404 | S | S | * | . | trans | -64.8 | 110 | -178.5 | -65.6 | 174.5 | 179.3 | 172.2 | 0 | 111.1 | ||||
| 161 | T | 38.7 | Very low | 63.1 | Low | 107 Ų | 107 | 77.1 Ų | 77.1 | 66% | 0.656 | 40% | 0.404 | S | S | * | . | trans | -133.3 | 119.3 | 163.7 | 54 | 0 | 0 | 0 | 0 | 111.3 | C159 | C159-T161 PolarHBondContact O-N 2.96Š| ||
| 162 | S | 48.3 | Very low | 63.1 | Low | 113 Ų | 113 | 74.2 Ų | 74.2 | 79% | 0.79 | 39% | 0.392 | S | S | * | . | S | Bend | trans | 77.4 | 121.8 | 164.9 | 80 | 0 | 0 | 0 | 0 | 119.8 | F164 | S162-F164 VanDerWaalsContact C-N 3.32Å; S162-F164 PolarHBondContact O-N 2.92Å |
| 163 | A | 54.3 | Low | 63.1 | Low | 110 Ų | 110 | 74.2 Ų | 74.2 | 91% | 0.909 | 39% | 0.391 | S | S | * | . | S | Bend | trans | 47.5 | -29.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 122.8 | R165 | A163-R165 PolarHBondContact O-N 3.13Š|
| 164 | F | 51.7 | Low | 63.3 | Low | 108 Ų | 108 | 74.8 Ų | 74.8 | 47% | 0.474 | 40% | 0.395 | S | S | . | . | trans | -98 | 87.2 | 175.1 | -159.7 | -90.6 | 0 | 0 | 0 | 109.9 | S162 M166 F167 | S162-F164 VanDerWaalsContact C-N 3.32Å; S162-F164 PolarHBondContact O-N 2.92Å; F164-M166 HydrophobicContact CD1-CB 4.03Å; F164-M166 HydrophobicContact CE1-CB 3.79Å; F164-M166 PolarHBondContact O-N 3.45Å; F164-F167 HydrophobicContact CB-CD2 4.12Å; F164-F167 HydrophobicContact CB-CE2 3.58Å; F164-F167 HydrophobicContact CB-CZ 4.26Å; F164-F167 HydrophobicContact CD1-CD1 4.21Å; F164-F167 AromaticContact CD1-CD2 3.81Å; F164-F167 HydrophobicContact CD1-CD2 3.81Å; F164-F167 AromaticContact CD1-CE1 3.59Å; F164-F167 HydrophobicContact CD1-CE1 3.59Å; F164-F167 AromaticContact CD1-CE2 3.19Å; F164-F167 HydrophobicContact CD1-CE2 3.19Å; F164-F167 HydrophobicContact CD1-CG 4.3Å; F164-F167 AromaticContact CD1-CZ 3.05Å; F164-F167 HydrophobicContact CD1-CZ 3.05Å; F164-F167 HydrophobicContact CE1-CD1 4.48Å; F164-F167 AromaticContact CE1-CE1 3.66Å; F164-F167 HydrophobicContact CE1-CE1 3.66Å; F164-F167 HydrophobicContact CE1-CE2 4.07Å; F164-F167 AromaticContact CE1-CZ 3.44Å; F164-F167 HydrophobicContact CE1-CZ 3.44Å; F164-F167 VanDerWaalsContact CE1-CZ 3.44Å; F164-F167 HydrophobicContact CG-CD2 4.42Å; F164-F167 AromaticContact CG-CE2 3.68Å; F164-F167 HydrophobicContact CG-CE2 3.68Å; F164-F167 AromaticContact CG-CZ 3.84Å; F164-F167 HydrophobicContact CG-CZ 3.84Å; F164-F167 HydrophobicContact CZ-CZ 4.49Å; F164-F167 WeakPolarHBondContact O-CD2 3.29Å | ||
| 165 | R | 48.8 | Very low | 63.6 | Low | 253 Ų | 253 | 76.4 Ų | 76.4 | 96% | 0.955 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 15.2 | -169.4 | -107.5 | 179.7 | 71.3 | 171.7 | 2 | 116.3 | A163 | A163-R165 PolarHBondContact O-N 3.13Š|
| 166 | M | 52.9 | Low | 64.1 | Low | 115 Ų | 115 | 76.8 Ų | 76.8 | 57% | 0.567 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -4.9 | -176.2 | -147.5 | 151.3 | 159.3 | 0 | 0 | 114.2 | F164 S168 | F164-M166 HydrophobicContact CD1-CB 4.03Å; F164-M166 HydrophobicContact CE1-CB 3.79Å; F164-M166 PolarHBondContact O-N 3.45Å; M166-S168 VanDerWaalsContact C-N 3.34Å; M166-S168 PolarHBondContact O-N 3.01Å; M166-S168 VanDerWaalsContact O-N 3.08Å |
| 167 | F | 51.9 | Low | 64.9 | Low | 78 Ų | 78 | 77.4 Ų | 77.4 | 34% | 0.342 | 41% | 0.408 | S | S | . | . | trans | -88 | 73.5 | 179.8 | -52 | -49 | 0 | 0 | 0 | 111 | F164 W252 | F164-F167 HydrophobicContact CB-CD2 4.12Å; F164-F167 HydrophobicContact CB-CE2 3.58Å; F164-F167 HydrophobicContact CB-CZ 4.26Å; F164-F167 HydrophobicContact CD1-CD1 4.21Å; F164-F167 AromaticContact CD1-CD2 3.81Å; F164-F167 HydrophobicContact CD1-CD2 3.81Å; F164-F167 AromaticContact CD1-CE1 3.59Å; F164-F167 HydrophobicContact CD1-CE1 3.59Å; F164-F167 AromaticContact CD1-CE2 3.19Å; F164-F167 HydrophobicContact CD1-CE2 3.19Å; F164-F167 HydrophobicContact CD1-CG 4.3Å; F164-F167 AromaticContact CD1-CZ 3.05Å; F164-F167 HydrophobicContact CD1-CZ 3.05Å; F164-F167 HydrophobicContact CE1-CD1 4.48Å; F164-F167 AromaticContact CE1-CE1 3.66Å; F164-F167 HydrophobicContact CE1-CE1 3.66Å; F164-F167 HydrophobicContact CE1-CE2 4.07Å; F164-F167 AromaticContact CE1-CZ 3.44Å; F164-F167 HydrophobicContact CE1-CZ 3.44Å; F164-F167 VanDerWaalsContact CE1-CZ 3.44Å; F164-F167 HydrophobicContact CG-CD2 4.42Å; F164-F167 AromaticContact CG-CE2 3.68Å; F164-F167 HydrophobicContact CG-CE2 3.68Å; F164-F167 AromaticContact CG-CZ 3.84Å; F164-F167 HydrophobicContact CG-CZ 3.84Å; F164-F167 HydrophobicContact CZ-CZ 4.49Å; F164-F167 WeakPolarHBondContact O-CD2 3.29Å; F167-W252 AromaticContact CD1-CH2 3.93Å; F167-W252 HydrophobicContact CD1-CH2 3.93Å; F167-W252 AromaticContact CD1-CZ2 3.68Å; F167-W252 HydrophobicContact CD1-CZ2 3.68Å; F167-W252 HydrophobicContact CE1-CD2 4.18Å; F167-W252 AromaticContact CE1-CE2 3.4Å; F167-W252 AromaticContact CE1-CH2 3.95Å; F167-W252 HydrophobicContact CE1-CH2 3.95Å; F167-W252 AromaticContact CE1-CZ2 3.29Å; F167-W252 HydrophobicContact CE1-CZ2 3.29Å; F167-W252 AromaticContact CE1-NE1 3.57Å; F167-W252 HydrophobicContact CZ-CZ2 4.17Å; F167-W252 AromaticContact CZ-NE1 3.84Å | ||
| 168 | S | 50.7 | Low | 66.3 | Low | 66 Ų | 66 | 76.9 Ų | 76.9 | 46% | 0.462 | 41% | 0.409 | S | S | . | . | trans | -82.3 | 120.2 | 165.6 | -67.2 | 0 | 0 | 0 | 0 | 107.6 | M166 | M166-S168 VanDerWaalsContact C-N 3.34Å; M166-S168 PolarHBondContact O-N 3.01Å; M166-S168 VanDerWaalsContact O-N 3.08Å | ||
| 169 | Q | 62.3 | Low | 67.9 | Low | 71 Ų | 71 | 76.6 Ų | 76.6 | 33% | 0.332 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 13.2 | 125.6 | 148.2 | -54.5 | 175.2 | 2.5 | 0 | 0 | 113.9 | Q157 | Q157-Q169 HydrophobicContact CG-CB 4.17Å; Q157-Q169 HydrophobicContact CG-CG 3.56Å; Q157-Q169 VanDerWaalsContact NE2-NE2 3.18Å |
| 170 | N | 77.7 | Confident | 70.1 | Confident | 9 Ų | 9 | 76.4 Ų | 76.4 | 5% | 0.048 | 40% | 0.404 | C | S | . | . | trans | 78.5 | 116 | 177.8 | -36.8 | -70.5 | 0 | 0 | 0 | 114.6 | D154 F155 L187 R189 | D154-N170 VanDerWaalsContact O-CA 3.25Å; D154-N170 WeakPolarHBondContact O-CA 3.44Å; F155-N170 VanDerWaalsContact C-OD1 3.3Å; F155-N170 WeakPolarHBondContact CA-OD1 3.28Å; F155-N170 PolarHBondContact O-OD1 3.35Å; N170-L187 HydrophobicContact CB-CB 3.58Å; N170-L187 HydrophobicContact CB-CD2 3.64Å; N170-L187 HydrophobicContact CB-CG 4.13Å; N170-L187 WeakPolarHBondContact O-CB 3.38Å; N170-L187 PolarHBondContact O-N 3.21Å; N170-R189 VanDerWaalsContact CG-NH2 3.31Å; N170-R189 VanDerWaalsContact ND2-CZ 3.27Å; N170-R189 PolarHBondContact ND2-NE 3.05Å; N170-R189 PolarHBondContact ND2-NH2 3.18Å; N170-R189 PolarHBondContact OD1-NE 3.25Å; N170-R189 PolarHBondContact OD1-NH2 3.44Å | ||
| 171 | I | 86.4 | Confident | 72.5 | Confident | 13 Ų | 13 | 72.3 Ų | 72.3 | 7% | 0.067 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 137.4 | -174.3 | -61.5 | 175.6 | 0 | 0 | 0 | 107.9 | D154 L184 L236 W252 | D154-I171 PolarHBondContact N-O 3.39Å; D154-I171 PolarHBondContact O-N 2.04Å; I171-L184 HydrophobicContact CG2-CB 4.43Å; I171-L184 HydrophobicContact CG2-CD2 4.07Å; I171-L236 HydrophobicContact CD1-CD2 3.27Å; I171-W252 HydrophobicContact CD1-CH2 4.13Å; I171-W252 HydrophobicContact CG2-CH2 4.49Å |
| 172 | T | 89.7 | Confident | 75.1 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122.5 | 162.9 | -55.7 | 0 | 0 | 0 | 0 | 108.5 | F151 V152 H153 I174 K185 L187 | F151-T172 HydrophobicContact CD1-CG2 4.31Å; V152-T172 CarbonylContact O-C 3.45Å; V152-T172 WeakPolarHBondContact O-CA 2.93Å; H153-T172 WeakPolarHBondContact ND1-CG2 3.2Å; H153-T172 PolarHBondContact ND1-OG1 3.12Å; H153-T172 VanDerWaalsContact ND1-OG1 3.15Å; T172-I174 HydrophobicContact CG2-CG1 4.25Å; T172-K185 HydrophobicContact CG2-CG 4.37Å; T172-K185 PolarHBondContact N-O 2.96Å; T172-K185 PolarHBondContact O-N 2.76Å; T172-L187 WeakPolarHBondContact OG1-CD1 3.04Å |
| 173 | L | 91.4 | Very high | 77.3 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 134.1 | 168.3 | 163.9 | 64 | 0 | 0 | 0 | 109 | F151 V152 C182 L184 E244 C245 | F151-L173 CarbonylContact C-O 3.58Å; F151-L173 WeakPolarHBondContact CA-O 3.5Å; V152-L173 HydrophobicContact CB-CB 4.16Å; V152-L173 HydrophobicContact CB-CD2 4.33Å; V152-L173 HydrophobicContact CB-CG 4.44Å; V152-L173 HydrophobicContact CG2-CD2 4.36Å; V152-L173 PolarHBondContact N-O 3.3Å; V152-L173 PolarHBondContact O-N 2.75Å; L173-C182 HydrophobicContact CD1-CB 3.71Å; L173-L184 HydrophobicContact CB-CD2 4.01Å; L173-L184 HydrophobicContact CD1-CD2 3.67Å; L173-L184 HydrophobicContact CG-CD2 4.44Å; L173-E244 HydrophobicContact CD2-CB 3.66Å; L173-E244 HydrophobicContact CD2-CG 4.41Å; L173-C245 WeakPolarHBondContact CD1-SG 3.44Å; L173-C245 VanDerWaalsContact CD2-SG 3.52Å |
| 174 | I | 92.4 | Very high | 79.1 | Confident | 28 Ų | 28 | 58.4 Ų | 58.4 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 112.6 | 171.3 | -49.8 | 174.9 | 0 | 0 | 0 | 107.1 | A149 F151 T172 F183 L253 | A149-I174 HydrophobicContact CB-CG2 4.23Å; F151-I174 HydrophobicContact CD1-CD1 4.16Å; F151-I174 HydrophobicContact CD1-CG1 3.75Å; F151-I174 HydrophobicContact CD1-CG2 4.48Å; F151-I174 HydrophobicContact CE1-CB 4.48Å; F151-I174 HydrophobicContact CE1-CD1 3.58Å; F151-I174 HydrophobicContact CE1-CG1 3.64Å; F151-I174 HydrophobicContact CE1-CG2 4.11Å; F151-I174 HydrophobicContact CE2-CG2 4.32Å; F151-I174 HydrophobicContact CZ-CD1 4.28Å; F151-I174 HydrophobicContact CZ-CG1 4.41Å; F151-I174 HydrophobicContact CZ-CG2 4.03Å; T172-I174 HydrophobicContact CG2-CG1 4.25Å; I174-F183 HydrophobicContact CB-CB 4.3Å; I174-F183 PolarHBondContact N-O 2.76Å; I174-F183 PolarHBondContact O-N 2.98Å; I174-L253 HydrophobicContact CD1-CD1 4.15Å |
| 175 | K | 92.4 | Very high | 80.8 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 18% | 0.178 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 115.4 | 176.5 | -169.9 | 179.6 | -170.8 | 178 | 0 | 109.5 | A149 T150 L177 E244 | A149-K175 WeakPolarHBondContact CA-O 3.45Å; T150-K175 PolarHBondContact N-O 3.11Å; T150-K175 PolarHBondContact O-N 2.69Å; K175-L177 HydrophobicContact CD-CD2 4.24Å; K175-L177 HydrophobicContact CG-CD2 4.37Å; K175-L177 PolarHBondContact O-N 2.78Å; K175-E244 WeakPolarHBondContact CD-OE2 3.26Å; K175-E244 WeakPolarHBondContact CE-O 3.27Å; K175-E244 PolarHBondContact NZ-O 2.84Å; K175-E244 IonicContact NZ-OE2 2.65Å; K175-E244 PolarHBondContact NZ-OE2 2.86Å |
| 176 | D | 90.3 | Very high | 82.6 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 9% | 0.086 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 109.7 | 170 | 178.1 | -0.7 | 0 | 0 | 0 | 108.5 | R147 L178 G179 N180 K181 F183 | R147-D176 IonicContact NH1-OD2 2.94Å; D176-L178 VanDerWaalsContact C-N 3.33Å; D176-L178 PolarHBondContact O-N 2.99Å; D176-L178 PolarHBondContact OD1-N 3.48Å; D176-G179 VanDerWaalsContact CG-N 3.26Å; D176-G179 PolarHBondContact OD1-N 2.88Å; D176-G179 WeakPolarHBondContact OD2-CA 3.31Å; D176-G179 PolarHBondContact OD2-N 3.4Å; D176-N180 WeakPolarHBondContact O-CA 3.38Å; D176-N180 PolarHBondContact O-N 2.84Å; D176-K181 PolarHBondContact N-O 3.34Å; D176-F183 HydrophobicContact CB-CE2 4.15Å |
| 177 | L | 88.3 | Confident | 84.1 | Confident | 87 Ų | 87 | 40.9 Ų | 40.9 | 46% | 0.455 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -30.5 | -175.8 | -61 | 179 | 0 | 0 | 0 | 112.3 | P148 K175 | P148-L177 HydrophobicContact CB-CD1 4.23Å; P148-L177 HydrophobicContact CG-CB 4.43Å; P148-L177 PolarHBondContact O-N 3.37Å; K175-L177 HydrophobicContact CD-CD2 4.24Å; K175-L177 HydrophobicContact CG-CD2 4.37Å; K175-L177 PolarHBondContact O-N 2.78Å |
| 178 | L | 87.2 | Confident | 85.4 | Confident | 123 Ų | 123 | 39.7 Ų | 39.7 | 64% | 0.644 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -44.4 | -179.9 | -66.9 | -179.8 | 0 | 0 | 0 | 111.6 | R147 P148 D176 N180 | R147-L178 HydrophobicContact CB-CD1 4.17Å; R147-L178 HydrophobicContact CG-CD1 4.11Å; P148-L178 HydrophobicContact CG-CD1 4.31Å; P148-L178 HydrophobicContact CG-CG 4.05Å; D176-L178 VanDerWaalsContact C-N 3.33Å; D176-L178 PolarHBondContact O-N 2.99Å; D176-L178 PolarHBondContact OD1-N 3.48Å; L178-N180 VanDerWaalsContact C-N 3.26Å; L178-N180 PolarHBondContact O-N 2.8Å |
| 179 | G | 86.3 | Confident | 86.6 | Confident | 21 Ų | 21 | 42.4 Ų | 42.4 | 22% | 0.216 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -13.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | D176 K181 | D176-G179 VanDerWaalsContact CG-N 3.26Å; D176-G179 PolarHBondContact OD1-N 2.88Å; D176-G179 WeakPolarHBondContact OD2-CA 3.31Å; D176-G179 PolarHBondContact OD2-N 3.4Å; G179-K181 VanDerWaalsContact C-N 3.34Å; G179-K181 WeakPolarHBondContact O-CG 3.04Å; G179-K181 PolarHBondContact O-N 3.39Å; G179-K181 PolarHBondContact O-NZ 2.87Å |
| 180 | N | 89.9 | Confident | 87.2 | Confident | 94 Ų | 94 | 47.9 Ų | 47.9 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 50.2 | -174 | -158.5 | 29.3 | 0 | 0 | 0 | 112.6 | D176 L178 V248 | D176-N180 WeakPolarHBondContact O-CA 3.38Å; D176-N180 PolarHBondContact O-N 2.84Å; L178-N180 VanDerWaalsContact C-N 3.26Å; L178-N180 PolarHBondContact O-N 2.8Å; N180-V248 VanDerWaalsContact OD1-CG1 3.28Å; N180-V248 WeakPolarHBondContact OD1-CG1 3.39Å |
| 181 | K | 91.9 | Very high | 87 | Confident | 63 Ų | 63 | 51.7 Ų | 51.7 | 27% | 0.274 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 152 | 179.2 | -58 | -172.6 | -94.5 | -65 | 0 | 110.1 | D176 G179 F183 P249 Y251 | D176-K181 PolarHBondContact N-O 3.34Å; G179-K181 VanDerWaalsContact C-N 3.34Å; G179-K181 WeakPolarHBondContact O-CG 3.04Å; G179-K181 PolarHBondContact O-N 3.39Å; G179-K181 PolarHBondContact O-NZ 2.87Å; K181-F183 HydrophobicContact CB-CE2 4.13Å; K181-F183 HydrophobicContact CB-CZ 4.15Å; K181-P249 HydrophobicContact CD-CG 4.37Å; K181-P249 HydrophobicContact CG-CG 3.89Å; K181-Y251 HydrophobicContact CD-CE2 3.95Å |
| 182 | C | 93.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 139.6 | 173 | -77.1 | 0 | 0 | 0 | 0 | 111 | L173 C245 V248 P249 T250 Y251 | L173-C182 HydrophobicContact CD1-CB 3.71Å; C182-C245 HydrophobicContact CB-CB 3.76Å; C182-C245 WeakPolarHBondContact CB-SG 3.45Å; C182-C245 WeakPolarHBondContact SG-CA 3.29Å; C182-C245 WeakPolarHBondContact SG-CB 3.39Å; C182-C245 CovalentContact SG-SG 2.04Å; C182-C245 PolarHBondContact SG-SG 2.95Å; C182-V248 HydrophobicContact CB-CG2 4.31Å; C182-V248 VanDerWaalsContact SG-CG2 3.57Å; C182-P249 PolarHBondContact N-O 2.67Å; C182-P249 VanDerWaalsContact N-O 3.12Å; C182-T250 HydrophobicContact CB-CG2 3.8Å; C182-T250 CarbonylContact O-C 3.53Å; C182-T250 VanDerWaalsContact O-CA 3.31Å; C182-T250 WeakPolarHBondContact O-CA 3.17Å; C182-Y251 PolarHBondContact O-N 2.8Å |
| 183 | F | 93.1 | Very high | 85.8 | Confident | 38 Ų | 38 | 55.1 Ų | 55.1 | 17% | 0.167 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.1 | 173.5 | -56.8 | -81.4 | 0 | 0 | 0 | 109.2 | I174 D176 K181 V223 Y251 L253 | I174-F183 HydrophobicContact CB-CB 4.3Å; I174-F183 PolarHBondContact N-O 2.76Å; I174-F183 PolarHBondContact O-N 2.98Å; D176-F183 HydrophobicContact CB-CE2 4.15Å; K181-F183 HydrophobicContact CB-CE2 4.13Å; K181-F183 HydrophobicContact CB-CZ 4.15Å; F183-V223 HydrophobicContact CD1-CG2 4.39Å; F183-V223 HydrophobicContact CE1-CG2 4Å; F183-Y251 CarbonylContact C-O 3.52Å; F183-Y251 WeakPolarHBondContact CA-O 3.18Å; F183-Y251 HydrophobicContact CD1-CD2 4.46Å; F183-Y251 HydrophobicContact CE1-CD2 4.16Å; F183-L253 HydrophobicContact CB-CD1 3.83Å; F183-L253 HydrophobicContact CB-CD2 4.16Å; F183-L253 HydrophobicContact CB-CG 3.91Å; F183-L253 HydrophobicContact CD1-CD2 3.91Å; F183-L253 HydrophobicContact CG-CD2 4.36Å |
| 184 | L | 91.7 | Very high | 85 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 136 | -179.6 | -58.9 | 178.9 | 0 | 0 | 0 | 109.6 | I171 L173 L228 L236 V241 T250 Y251 W252 L253 | I171-L184 HydrophobicContact CG2-CB 4.43Å; I171-L184 HydrophobicContact CG2-CD2 4.07Å; L173-L184 HydrophobicContact CB-CD2 4.01Å; L173-L184 HydrophobicContact CD1-CD2 3.67Å; L173-L184 HydrophobicContact CG-CD2 4.44Å; L184-L228 HydrophobicContact CD1-CD1 4.35Å; L184-L236 HydrophobicContact CD1-CD1 3.96Å; L184-V241 HydrophobicContact CD1-CG1 4.45Å; L184-V241 HydrophobicContact CD2-CG1 4Å; L184-V241 HydrophobicContact CD2-CG2 4.35Å; L184-T250 HydrophobicContact CD1-CG2 3.63Å; L184-T250 HydrophobicContact CD2-CG2 4.35Å; L184-T250 HydrophobicContact CG-CG2 3.67Å; L184-Y251 PolarHBondContact N-O 2.83Å; L184-W252 HydrophobicContact CB-CD2 3.93Å; L184-W252 HydrophobicContact CB-CE3 3.47Å; L184-W252 VanDerWaalsContact CB-CE3 3.47Å; L184-W252 HydrophobicContact CB-CH2 3.84Å; L184-W252 HydrophobicContact CB-CZ2 4.25Å; L184-W252 HydrophobicContact CB-CZ3 3.44Å; L184-W252 VanDerWaalsContact CB-CZ3 3.44Å; L184-W252 HydrophobicContact CD1-CD2 4.47Å; L184-W252 HydrophobicContact CD1-CH2 4Å; L184-W252 HydrophobicContact CD1-CZ2 3.78Å; L184-W252 HydrophobicContact CD1-CZ3 4.44Å; L184-L253 WeakPolarHBondContact O-CB 3.28Å; L184-L253 PolarHBondContact O-N 3.35Å |
| 185 | K | 88.4 | Confident | 83.8 | Confident | 29 Ų | 29 | 57.6 Ų | 57.6 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 156.8 | 168.1 | 72.3 | 177.9 | -161.9 | 88.9 | 0 | 110.6 | T172 L187 E219 F221 L253 | T172-K185 HydrophobicContact CG2-CG 4.37Å; T172-K185 PolarHBondContact N-O 2.96Å; T172-K185 PolarHBondContact O-N 2.76Å; K185-L187 PolarHBondContact O-N 3.05Å; K185-E219 IonicContact NZ-OE2 2.69Å; K185-F221 HydrophobicContact CD-CE2 4.07Å; K185-F221 HydrophobicContact CD-CZ 3.93Å; K185-L253 HydrophobicContact CB-CB 4.13Å; K185-L253 HydrophobicContact CB-CD1 4.39Å |
| 186 | P | 86.6 | Confident | 82.6 | Confident | 63 Ų | 63 | 59 Ų | 59 | 41% | 0.409 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 136.7 | 166.7 | -21.5 | 33.5 | 0 | 0 | 0 | 110.7 | ||
| 187 | L | 84.1 | Confident | 81.3 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | trans | -77 | 131.4 | 173.1 | -179.8 | 70.1 | 0 | 0 | 0 | 109.5 | H153 F155 N170 T172 K185 V192 | H153-L187 HydrophobicContact CB-CD1 4.13Å; H153-L187 HydrophobicContact CB-CD2 4.43Å; H153-L187 VanDerWaalsContact ND1-CD1 3.3Å; H153-L187 WeakPolarHBondContact ND1-CD1 3.34Å; F155-L187 HydrophobicContact CD1-CD2 3.4Å; F155-L187 VanDerWaalsContact CD1-CD2 3.4Å; F155-L187 HydrophobicContact CE1-CD2 3.44Å; F155-L187 VanDerWaalsContact CE1-CD2 3.44Å; F155-L187 HydrophobicContact CG-CD2 4.2Å; F155-L187 HydrophobicContact CZ-CD2 4.25Å; N170-L187 HydrophobicContact CB-CB 3.58Å; N170-L187 HydrophobicContact CB-CD2 3.64Å; N170-L187 HydrophobicContact CB-CG 4.13Å; N170-L187 WeakPolarHBondContact O-CB 3.38Å; N170-L187 PolarHBondContact O-N 3.21Å; T172-L187 WeakPolarHBondContact OG1-CD1 3.04Å; K185-L187 PolarHBondContact O-N 3.05Å; L187-V192 HydrophobicContact CD1-CB 3.98Å; L187-V192 HydrophobicContact CD1-CG1 4.23Å; L187-V192 HydrophobicContact CD1-CG2 4.31Å | ||
| 188 | D | 79.4 | Confident | 80.2 | Confident | 53 Ų | 53 | 60 Ų | 60 | 28% | 0.283 | 32% | 0.324 | S | S | . | . | trans | -89.8 | 111.4 | 172.2 | -167.3 | -19.8 | 0 | 0 | 0 | 109.7 | E190 I191 V192 | D188-E190 VanDerWaalsContact C-N 3.3Å; D188-E190 WeakPolarHBondContact OD1-CB 3.44Å; D188-E190 PolarHBondContact OD1-N 2.66Å; D188-I191 HydrophobicContact CB-CB 4.44Å; D188-I191 HydrophobicContact CB-CD1 4.18Å; D188-I191 HydrophobicContact CB-CG1 4.3Å; D188-I191 PolarHBondContact O-N 2.98Å; D188-I191 WeakPolarHBondContact OD2-CD1 3.42Å; D188-V192 PolarHBondContact O-N 3.2Å | ||
| 189 | R | 75.9 | Confident | 79.3 | Confident | 123 Ų | 123 | 59.3 Ų | 59.3 | 46% | 0.464 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -12.4 | -180 | -75.2 | -167.9 | 170.6 | -162.1 | 4 | 113.8 | N170 I191 V192 | N170-R189 VanDerWaalsContact CG-NH2 3.31Å; N170-R189 VanDerWaalsContact ND2-CZ 3.27Å; N170-R189 PolarHBondContact ND2-NE 3.05Å; N170-R189 PolarHBondContact ND2-NH2 3.18Å; N170-R189 PolarHBondContact OD1-NE 3.25Å; N170-R189 PolarHBondContact OD1-NH2 3.44Å; R189-I191 VanDerWaalsContact C-N 3.3Å; R189-V192 WeakPolarHBondContact CA-O 3.36Å |
| 190 | E | 74 | Confident | 78.5 | Confident | 187 Ų | 187 | 60.3 Ų | 60.3 | 87% | 0.874 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -30 | 173.7 | -60.2 | -172.6 | 177.3 | 0 | 0 | 110.7 | D188 | D188-E190 VanDerWaalsContact C-N 3.3Å; D188-E190 WeakPolarHBondContact OD1-CB 3.44Å; D188-E190 PolarHBondContact OD1-N 2.66Å |
| 191 | I | 74.8 | Confident | 77.6 | Confident | 88 Ų | 88 | 57.6 Ų | 57.6 | 45% | 0.451 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -43 | -177.5 | -54.6 | 177.1 | 0 | 0 | 0 | 111 | D188 R189 V217 | D188-I191 HydrophobicContact CB-CB 4.44Å; D188-I191 HydrophobicContact CB-CD1 4.18Å; D188-I191 HydrophobicContact CB-CG1 4.3Å; D188-I191 PolarHBondContact O-N 2.98Å; D188-I191 WeakPolarHBondContact OD2-CD1 3.42Å; R189-I191 VanDerWaalsContact C-N 3.3Å; I191-V217 HydrophobicContact CD1-CG1 3.73Å; I191-V217 HydrophobicContact CD1-CG2 4.23Å; I191-V217 HydrophobicContact CG2-CG2 4.34Å |
| 192 | V | 75.8 | Confident | 76.7 | Confident | 34 Ų | 34 | 58.9 Ų | 58.9 | 21% | 0.206 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -117.3 | 109.2 | -174.9 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | F155 L187 D188 R189 | F155-V192 HydrophobicContact CE1-CG1 4.05Å; F155-V192 HydrophobicContact CZ-CG1 3.78Å; L187-V192 HydrophobicContact CD1-CB 3.98Å; L187-V192 HydrophobicContact CD1-CG1 4.23Å; L187-V192 HydrophobicContact CD1-CG2 4.31Å; D188-V192 PolarHBondContact O-N 3.2Å; R189-V192 WeakPolarHBondContact CA-O 3.36Å |
| 193 | A | 74.2 | Confident | 75.6 | Confident | 53 Ų | 53 | 65 Ų | 65 | 44% | 0.438 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 145.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 194 | P | 74.2 | Confident | 74.7 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 41% | 0.409 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 143.5 | 176.7 | 27.1 | -34.1 | 0 | 0 | 0 | 111.5 | F155 S196 | F155-P194 HydrophobicContact CB-CB 4.29Å; F155-P194 HydrophobicContact CD1-CB 3.7Å; F155-P194 HydrophobicContact CD2-CB 4.45Å; F155-P194 VanDerWaalsContact CE1-CA 3.48Å; F155-P194 HydrophobicContact CE1-CB 4.06Å; F155-P194 HydrophobicContact CG-CB 3.91Å; P194-S196 PolarHBondContact O-N 3.29Å |
| 195 | P | 67.5 | Low | 73.7 | Confident | 18 Ų | 18 | 70 Ų | 70 | 12% | 0.117 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 120.6 | 176.5 | 26.9 | -32.4 | 0 | 0 | 0 | 110.2 | V129 F155 | V129-P195 HydrophobicContact CG1-CB 3.37Å; V129-P195 HydrophobicContact CG1-CG 3.57Å; F155-P195 HydrophobicContact CE2-CG 4.31Å |
| 196 | S | 66.9 | Low | 73 | Confident | 70 Ų | 70 | 73 Ų | 73 | 49% | 0.49 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -84.5 | -47.1 | 173.3 | 82.2 | 0 | 0 | 0 | 0 | 110.8 | P194 D200 | P194-S196 PolarHBondContact O-N 3.29Å; S196-D200 PolarHBondContact OG-OD2 3.26Å |
| 197 | N | 63.3 | Low | 72.5 | Confident | 91 Ų | 91 | 74.1 Ų | 74.1 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | trans | -159.6 | 142.1 | 178.5 | -79.7 | -44.4 | 0 | 0 | 0 | 109 | I199 D200 L201 | N197-I199 PolarHBondContact O-N 2.78Å; N197-D200 HydrophobicContact CB-CB 3.96Å; N197-D200 PolarHBondContact O-N 2.82Å; N197-L201 PolarHBondContact O-N 2.84Å | ||
| 198 | L | 65.9 | Low | 71.7 | Confident | 33 Ų | 33 | 74.4 Ų | 74.4 | 17% | 0.173 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58.7 | -39.8 | 173 | 180 | 76.6 | 0 | 0 | 0 | 111.2 | F104 D200 L201 M202 | F104-L198 HydrophobicContact CB-CB 3.67Å; F104-L198 HydrophobicContact CB-CD1 4.03Å; F104-L198 HydrophobicContact CB-CD2 3.73Å; F104-L198 HydrophobicContact CB-CG 3.96Å; F104-L198 HydrophobicContact CD1-CB 3.51Å; F104-L198 HydrophobicContact CD1-CD2 3.37Å; F104-L198 HydrophobicContact CD1-CG 4Å; F104-L198 HydrophobicContact CD2-CB 3.65Å; F104-L198 HydrophobicContact CE1-CB 3.97Å; F104-L198 HydrophobicContact CE1-CD2 4.19Å; F104-L198 HydrophobicContact CE2-CB 4.08Å; F104-L198 HydrophobicContact CG-CB 3.32Å; F104-L198 HydrophobicContact CG-CD2 3.78Å; F104-L198 HydrophobicContact CG-CG 4.01Å; F104-L198 HydrophobicContact CZ-CB 4.24Å; L198-D200 VanDerWaalsContact C-N 3.32Å; L198-D200 PolarHBondContact O-N 2.9Å; L198-L201 HydrophobicContact CD1-CD2 4.43Å; L198-L201 WeakPolarHBondContact O-CB 3.27Å; L198-L201 PolarHBondContact O-N 3.06Å; L198-M202 HydrophobicContact CD1-CE 3.85Å; L198-M202 HydrophobicContact CD1-CG 4.29Å; L198-M202 HydrophobicContact CG-CG 4.1Å; L198-M202 WeakPolarHBondContact O-CB 3.4Å; L198-M202 VanDerWaalsContact O-CG 3.31Å; L198-M202 WeakPolarHBondContact O-CG 3.47Å; L198-M202 PolarHBondContact O-N 3.12Å |
| 199 | I | 68.8 | Low | 70.9 | Confident | 110 Ų | 110 | 80 Ų | 80 | 56% | 0.564 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.8 | -43.9 | 179.6 | -59.5 | 174.1 | 0 | 0 | 0 | 110.3 | N197 L201 M202 E203 | N197-I199 PolarHBondContact O-N 2.78Å; I199-L201 PolarHBondContact O-N 2.86Å; I199-M202 PolarHBondContact O-N 2.9Å; I199-E203 HydrophobicContact CG2-CG 4.45Å; I199-E203 WeakPolarHBondContact O-CB 3.23Å; I199-E203 WeakPolarHBondContact O-CG 3.29Å; I199-E203 PolarHBondContact O-N 2.81Å |
| 200 | D | 69.5 | Low | 70 | Confident | 42 Ų | 42 | 77.8 Ų | 77.8 | 23% | 0.225 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.1 | -40 | 175.5 | 177.5 | 57.2 | 0 | 0 | 0 | 111.6 | S196 N197 L198 K204 | S196-D200 PolarHBondContact OG-OD2 3.26Å; N197-D200 HydrophobicContact CB-CB 3.96Å; N197-D200 PolarHBondContact O-N 2.82Å; L198-D200 VanDerWaalsContact C-N 3.32Å; L198-D200 PolarHBondContact O-N 2.9Å; D200-K204 VanDerWaalsContact CG-NZ 3.27Å; D200-K204 VanDerWaalsContact O-CB 3.29Å; D200-K204 WeakPolarHBondContact O-CB 3.48Å; D200-K204 WeakPolarHBondContact O-CD 3.26Å; D200-K204 VanDerWaalsContact O-CG 3.23Å; D200-K204 WeakPolarHBondContact O-CG 3.26Å; D200-K204 PolarHBondContact O-N 3.01Å; D200-K204 WeakPolarHBondContact OD1-CE 3.48Å; D200-K204 IonicContact OD1-NZ 3.9Å; D200-K204 PolarHBondContact OD1-NZ 2.92Å; D200-K204 VanDerWaalsContact OD1-NZ 3.11Å; D200-K204 IonicContact OD2-NZ 3.61Å; D200-K204 PolarHBondContact OD2-NZ 2.78Å |
| 201 | L | 70.4 | Confident | 69 | Low | 36 Ų | 36 | 76.2 Ų | 76.2 | 19% | 0.188 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.2 | -49 | 174.2 | 178.7 | 61.9 | 0 | 0 | 0 | 111.5 | N197 L198 I199 K204 L205 Y210 | N197-L201 PolarHBondContact O-N 2.84Å; L198-L201 HydrophobicContact CD1-CD2 4.43Å; L198-L201 WeakPolarHBondContact O-CB 3.27Å; L198-L201 PolarHBondContact O-N 3.06Å; I199-L201 PolarHBondContact O-N 2.86Å; L201-K204 PolarHBondContact O-N 2.78Å; L201-L205 HydrophobicContact CD1-CD1 4.12Å; L201-L205 HydrophobicContact CD1-CG 4.3Å; L201-L205 HydrophobicContact CG-CD1 3.95Å; L201-L205 WeakPolarHBondContact O-CB 3.36Å; L201-L205 VanDerWaalsContact O-CG 3.27Å; L201-L205 WeakPolarHBondContact O-CG 3.25Å; L201-L205 PolarHBondContact O-N 3.15Å; L201-Y210 HydrophobicContact CD1-CD2 3.89Å; L201-Y210 HydrophobicContact CD1-CE2 3.55Å |
| 202 | M | 72.8 | Confident | 68 | Low | 91 Ų | 91 | 76.9 Ų | 76.9 | 45% | 0.448 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 179.8 | -69.6 | -64.4 | 123.3 | 0 | 0 | 111.9 | L198 I199 K204 L205 A206 | L198-M202 HydrophobicContact CD1-CE 3.85Å; L198-M202 HydrophobicContact CD1-CG 4.29Å; L198-M202 HydrophobicContact CG-CG 4.1Å; L198-M202 WeakPolarHBondContact O-CB 3.4Å; L198-M202 VanDerWaalsContact O-CG 3.31Å; L198-M202 WeakPolarHBondContact O-CG 3.47Å; L198-M202 PolarHBondContact O-N 3.12Å; I199-M202 PolarHBondContact O-N 2.9Å; M202-K204 VanDerWaalsContact C-N 3.35Å; M202-K204 PolarHBondContact O-N 3.42Å; M202-L205 HydrophobicContact CE-CD1 3.71Å; M202-L205 PolarHBondContact O-N 3.02Å; M202-L205 HydrophobicContact SD-CD1 4.39Å; M202-A206 VanDerWaalsContact O-CB 3.26Å; M202-A206 WeakPolarHBondContact O-CB 3.41Å; M202-A206 PolarHBondContact O-N 2.84Å |
| 203 | E | 70.9 | Confident | 66.8 | Low | 128 Ų | 128 | 84.4 Ų | 84.4 | 60% | 0.598 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.6 | -44.4 | 175.4 | -79.3 | -179.4 | -174.8 | 0 | 0 | 111.5 | I199 A206 S207 | I199-E203 HydrophobicContact CG2-CG 4.45Å; I199-E203 WeakPolarHBondContact O-CB 3.23Å; I199-E203 WeakPolarHBondContact O-CG 3.29Å; I199-E203 PolarHBondContact O-N 2.81Å; E203-A206 PolarHBondContact O-N 3.47Å; E203-S207 VanDerWaalsContact O-CB 3.26Å; E203-S207 WeakPolarHBondContact O-CB 3.47Å; E203-S207 PolarHBondContact O-N 3.45Å; E203-S207 PolarHBondContact O-OG 2.96Å |
| 204 | K | 72.8 | Confident | 65.8 | Low | 56 Ų | 56 | 86.5 Ų | 86.5 | 24% | 0.243 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -72.2 | -29.8 | 178.4 | -74.1 | 171.1 | 175.3 | 163.5 | 0 | 113.5 | D200 L201 M202 S207 G208 Y209 Y210 | D200-K204 VanDerWaalsContact CG-NZ 3.27Å; D200-K204 VanDerWaalsContact O-CB 3.29Å; D200-K204 WeakPolarHBondContact O-CB 3.48Å; D200-K204 WeakPolarHBondContact O-CD 3.26Å; D200-K204 VanDerWaalsContact O-CG 3.23Å; D200-K204 WeakPolarHBondContact O-CG 3.26Å; D200-K204 PolarHBondContact O-N 3.01Å; D200-K204 WeakPolarHBondContact OD1-CE 3.48Å; D200-K204 IonicContact OD1-NZ 3.9Å; D200-K204 PolarHBondContact OD1-NZ 2.92Å; D200-K204 VanDerWaalsContact OD1-NZ 3.11Å; D200-K204 IonicContact OD2-NZ 3.61Å; D200-K204 PolarHBondContact OD2-NZ 2.78Å; L201-K204 PolarHBondContact O-N 2.78Å; M202-K204 VanDerWaalsContact C-N 3.35Å; M202-K204 PolarHBondContact O-N 3.42Å; K204-S207 PolarHBondContact O-OG 2.86Å; K204-G208 PolarHBondContact O-N 3.45Å; K204-Y209 HydrophobicContact CB-CD1 4.32Å; K204-Y209 HydrophobicContact CD-CD1 4.14Å; K204-Y209 HydrophobicContact CG-CD1 4.17Å; K204-Y209 HydrophobicContact CG-CG 4.43Å; K204-Y209 WeakPolarHBondContact O-CB 3.43Å; K204-Y209 PolarHBondContact O-N 2.94Å; K204-Y210 HydrophobicContact CB-CD2 3.21Å; K204-Y210 HydrophobicContact CB-CE2 3.18Å; K204-Y210 HydrophobicContact CB-CG 4.24Å; K204-Y210 HydrophobicContact CD-CD2 4.24Å; K204-Y210 HydrophobicContact CD-CE2 3.38Å; K204-Y210 HydrophobicContact CG-CD2 4.36Å; K204-Y210 HydrophobicContact CG-CE2 3.93Å; K204-Y210 PolarHBondContact O-N 3.09Å; K204-Y210 VanDerWaalsContact O-N 3.1Å |
| 205 | L | 71.5 | Confident | 64.8 | Low | 87 Ų | 87 | 87.5 Ų | 87.5 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.8 | -49 | 170.2 | -77 | 166.8 | 0 | 0 | 0 | 110 | L201 M202 S207 G208 Y210 | L201-L205 HydrophobicContact CD1-CD1 4.12Å; L201-L205 HydrophobicContact CD1-CG 4.3Å; L201-L205 HydrophobicContact CG-CD1 3.95Å; L201-L205 WeakPolarHBondContact O-CB 3.36Å; L201-L205 VanDerWaalsContact O-CG 3.27Å; L201-L205 WeakPolarHBondContact O-CG 3.25Å; L201-L205 PolarHBondContact O-N 3.15Å; M202-L205 HydrophobicContact CE-CD1 3.71Å; M202-L205 PolarHBondContact O-N 3.02Å; M202-L205 HydrophobicContact SD-CD1 4.39Å; L205-S207 VanDerWaalsContact C-N 3.35Å; L205-S207 PolarHBondContact O-N 3.1Å; L205-G208 PolarHBondContact O-N 3.01Å; L205-Y210 HydrophobicContact CD2-CD2 4.4Å; L205-Y210 HydrophobicContact CD2-CG 4.5Å; L205-Y210 HydrophobicContact CG-CD2 4.13Å |
| 206 | A | 73 | Confident | 64.3 | Low | 91 Ų | 91 | 93 Ų | 93 | 75% | 0.752 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.1 | -37 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | M202 E203 G208 | M202-A206 VanDerWaalsContact O-CB 3.26Å; M202-A206 WeakPolarHBondContact O-CB 3.41Å; M202-A206 PolarHBondContact O-N 2.84Å; E203-A206 PolarHBondContact O-N 3.47Å; A206-G208 PolarHBondContact O-N 3.33Å |
| 207 | S | 76.9 | Confident | 64 | Low | 87 Ų | 87 | 93.1 Ų | 93.1 | 61% | 0.608 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -6.5 | 175.3 | 82.3 | 0 | 0 | 0 | 0 | 113 | E203 K204 L205 Y209 | E203-S207 VanDerWaalsContact O-CB 3.26Å; E203-S207 WeakPolarHBondContact O-CB 3.47Å; E203-S207 PolarHBondContact O-N 3.45Å; E203-S207 PolarHBondContact O-OG 2.96Å; K204-S207 PolarHBondContact O-OG 2.86Å; L205-S207 VanDerWaalsContact C-N 3.35Å; L205-S207 PolarHBondContact O-N 3.1Å; S207-Y209 PolarHBondContact O-N 3.06Å; S207-Y209 WeakPolarHBondContact OG-CB 3.3Å; S207-Y209 PolarHBondContact OG-N 3.49Å |
| 208 | G | 66.4 | Low | 64.4 | Low | 21 Ų | 21 | 95.8 Ų | 95.8 | 22% | 0.216 | 50% | 0.502 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 16.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114 | K204 L205 A206 Y210 Q211 | K204-G208 PolarHBondContact O-N 3.45Å; L205-G208 PolarHBondContact O-N 3.01Å; A206-G208 PolarHBondContact O-N 3.33Å; G208-Y210 PolarHBondContact O-N 3.48Å; G208-Q211 VanDerWaalsContact O-CB 3.26Å; G208-Q211 WeakPolarHBondContact O-CB 3.38Å; G208-Q211 VanDerWaalsContact O-CG 3.27Å; G208-Q211 WeakPolarHBondContact O-CG 3.25Å; G208-Q211 PolarHBondContact O-N 2.84Å |
| 209 | Y | 64.5 | Low | 64.9 | Low | 172 Ų | 172 | 98.3 Ų | 98.3 | 68% | 0.675 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -37.8 | 173.4 | -177.2 | -92.4 | 0 | 0 | 0 | 110.6 | K204 S207 Q211 | K204-Y209 HydrophobicContact CB-CD1 4.32Å; K204-Y209 HydrophobicContact CD-CD1 4.14Å; K204-Y209 HydrophobicContact CG-CD1 4.17Å; K204-Y209 HydrophobicContact CG-CG 4.43Å; K204-Y209 WeakPolarHBondContact O-CB 3.43Å; K204-Y209 PolarHBondContact O-N 2.94Å; S207-Y209 PolarHBondContact O-N 3.06Å; S207-Y209 WeakPolarHBondContact OG-CB 3.3Å; S207-Y209 PolarHBondContact OG-N 3.49Å; Y209-Q211 PolarHBondContact O-N 3.41Å |
| 210 | Y | 55.9 | Low | 65.4 | Low | 75 Ų | 75 | 97.2 Ų | 97.2 | 29% | 0.294 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 25.4 | 168.3 | -69.3 | -59.8 | 0 | 0 | 0 | 112.7 | L201 K204 L205 G208 P212 | L201-Y210 HydrophobicContact CD1-CD2 3.89Å; L201-Y210 HydrophobicContact CD1-CE2 3.55Å; K204-Y210 HydrophobicContact CB-CD2 3.21Å; K204-Y210 HydrophobicContact CB-CE2 3.18Å; K204-Y210 HydrophobicContact CB-CG 4.24Å; K204-Y210 HydrophobicContact CD-CD2 4.24Å; K204-Y210 HydrophobicContact CD-CE2 3.38Å; K204-Y210 HydrophobicContact CG-CD2 4.36Å; K204-Y210 HydrophobicContact CG-CE2 3.93Å; K204-Y210 PolarHBondContact O-N 3.09Å; K204-Y210 VanDerWaalsContact O-N 3.1Å; L205-Y210 HydrophobicContact CD2-CD2 4.4Å; L205-Y210 HydrophobicContact CD2-CG 4.5Å; L205-Y210 HydrophobicContact CG-CD2 4.13Å; G208-Y210 PolarHBondContact O-N 3.48Å; Y210-P212 VanDerWaalsContact C-N 3.33Å; Y210-P212 WeakPolarHBondContact O-CD 3.31Å |
| 211 | Q | 53.9 | Low | 66.2 | Low | 154 Ų | 154 | 98.1 Ų | 98.1 | 72% | 0.72 | 51% | 0.511 | S | S | * | . | trans | -52.3 | 108.1 | 164.4 | -87.8 | -179.7 | 19 | 0 | 0 | 105.8 | G208 Y209 K213 | G208-Q211 VanDerWaalsContact O-CB 3.26Å; G208-Q211 WeakPolarHBondContact O-CB 3.38Å; G208-Q211 VanDerWaalsContact O-CG 3.27Å; G208-Q211 WeakPolarHBondContact O-CG 3.25Å; G208-Q211 PolarHBondContact O-N 2.84Å; Y209-Q211 PolarHBondContact O-N 3.41Å; Q211-K213 PolarHBondContact O-N 3.26Å | ||
| 212 | P | 51.9 | Low | 66.9 | Low | 102 Ų | 102 | 98.9 Ų | 98.9 | 66% | 0.662 | 52% | 0.519 | S | S | * | . | trans | -62.6 | 121.1 | 173.4 | 12.1 | -1.8 | 0 | 0 | 0 | 101.6 | Y210 P214 | Y210-P212 VanDerWaalsContact C-N 3.33Å; Y210-P212 WeakPolarHBondContact O-CD 3.31Å; P212-P214 VanDerWaalsContact C-CD 3.44Å; P212-P214 WeakPolarHBondContact O-CD 3.41Å | ||
| 213 | K | 52.3 | Low | 67.6 | Low | 192 Ų | 192 | 97.8 Ų | 97.8 | 84% | 0.835 | 52% | 0.517 | S | S | * | . | trans | -64 | 107.3 | 137.1 | -71.8 | 178.1 | -177.3 | 173.4 | 0 | 101 | Q211 S215 | Q211-K213 PolarHBondContact O-N 3.26Å; K213-S215 PolarHBondContact O-N 3.28Å | ||
| 214 | P | 51.4 | Low | 68.2 | Low | 98 Ų | 98 | 95.8 Ų | 95.8 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | trans | -65.4 | 74.9 | 161.5 | 32.4 | -35.3 | 0 | 0 | 0 | 104.4 | P212 I216 | P212-P214 VanDerWaalsContact C-CD 3.44Å; P212-P214 WeakPolarHBondContact O-CD 3.41Å; P214-I216 PolarHBondContact O-N 3.03Å | ||
| 215 | S | 54.4 | Low | 68.8 | Low | 83 Ų | 83 | 99.1 Ų | 99.1 | 58% | 0.58 | 53% | 0.528 | S | S | * | . | trans | -54.4 | 111.5 | 148.7 | 55.3 | 0 | 0 | 0 | 0 | 101.6 | K213 V217 | K213-S215 PolarHBondContact O-N 3.28Å; S215-V217 WeakPolarHBondContact O-CG2 3.4Å; S215-V217 PolarHBondContact O-N 3.36Å | ||
| 216 | I | 56.5 | Low | 69.6 | Low | 135 Ų | 135 | 100 Ų | 100 | 69% | 0.692 | 54% | 0.539 | S | S | * | . | trans | -54.1 | 96.2 | 177.3 | -66.5 | 162.5 | 0 | 0 | 0 | 105.2 | P214 R218 | P214-I216 PolarHBondContact O-N 3.03Å; I216-R218 HydrophobicContact CG2-CB 3.77Å; I216-R218 PolarHBondContact O-N 3.44Å | ||
| 217 | V | 61.8 | Low | 70.3 | Confident | 71 Ų | 71 | 97.3 Ų | 97.3 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | trans | -82 | 62.8 | 178.9 | -172.1 | 0 | 0 | 0 | 0 | 105.5 | I191 S215 E219 | I191-V217 HydrophobicContact CD1-CG1 3.73Å; I191-V217 HydrophobicContact CD1-CG2 4.23Å; I191-V217 HydrophobicContact CG2-CG2 4.34Å; S215-V217 WeakPolarHBondContact O-CG2 3.4Å; S215-V217 PolarHBondContact O-N 3.36Å; V217-E219 HydrophobicContact CG1-CG 4.02Å; V217-E219 PolarHBondContact O-N 3.3Å | ||
| 218 | R | 70.6 | Confident | 70.8 | Confident | 147 Ų | 147 | 94 Ų | 94 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | trans | -85.8 | 99.7 | 174.5 | -170.1 | 171.6 | 77.6 | 172.2 | 4.5 | 107 | I216 E288 | I216-R218 HydrophobicContact CG2-CB 3.77Å; I216-R218 PolarHBondContact O-N 3.44Å; R218-E288 VanDerWaalsContact NH1-CD 3.28Å; R218-E288 IonicContact NH1-OE1 3.11Å; R218-E288 PolarHBondContact NH1-OE1 3.29Å; R218-E288 IonicContact NH1-OE2 2.94Å; R218-E288 PolarHBondContact NH1-OE2 3.2Å | ||
| 219 | E | 76.3 | Confident | 71.8 | Confident | 86 Ų | 86 | 99.8 Ų | 99.8 | 40% | 0.402 | 51% | 0.511 | S | S | . | . | trans | -105.3 | 130.6 | 175.2 | -66.2 | -179.4 | 155.8 | 0 | 0 | 109.5 | K185 V217 F221 | K185-E219 IonicContact NZ-OE2 2.69Å; V217-E219 HydrophobicContact CG1-CG 4.02Å; V217-E219 PolarHBondContact O-N 3.3Å; E219-F221 HydrophobicContact CB-CD2 4.08Å; E219-F221 HydrophobicContact CB-CE2 3.37Å; E219-F221 HydrophobicContact CB-CZ 3.94Å; E219-F221 HydrophobicContact CG-CE2 4.37Å; E219-F221 VanDerWaalsContact OE2-CE2 3.27Å; E219-F221 WeakPolarHBondContact OE2-CE2 3.41Å; E219-F221 WeakPolarHBondContact OE2-CZ 3.3Å | ||
| 220 | N | 80.6 | Confident | 72.7 | Confident | 88 Ų | 88 | 95.9 Ų | 95.9 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | trans | -94 | 126.3 | 173.9 | -69.9 | -37.6 | 0 | 0 | 0 | 109.4 | V256 | N220-V256 HydrophobicContact CB-CB 4.16Å; N220-V256 HydrophobicContact CB-CG2 4.4Å; N220-V256 PolarHBondContact O-N 2.88Å | ||
| 221 | F | 85.1 | Confident | 73.9 | Confident | 61 Ų | 61 | 99.5 Ų | 99.5 | 27% | 0.268 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 144.7 | 177.2 | -69 | -83.8 | 0 | 0 | 0 | 111.1 | K185 E219 L253 V254 P255 | K185-F221 HydrophobicContact CD-CE2 4.07Å; K185-F221 HydrophobicContact CD-CZ 3.93Å; E219-F221 HydrophobicContact CB-CD2 4.08Å; E219-F221 HydrophobicContact CB-CE2 3.37Å; E219-F221 HydrophobicContact CB-CZ 3.94Å; E219-F221 HydrophobicContact CG-CE2 4.37Å; E219-F221 VanDerWaalsContact OE2-CE2 3.27Å; E219-F221 WeakPolarHBondContact OE2-CE2 3.41Å; E219-F221 WeakPolarHBondContact OE2-CZ 3.3Å; F221-L253 HydrophobicContact CB-CB 3.93Å; F221-L253 HydrophobicContact CB-CD1 4.29Å; F221-L253 HydrophobicContact CB-CD2 4.13Å; F221-L253 HydrophobicContact CB-CG 4.34Å; F221-L253 HydrophobicContact CD1-CB 3.81Å; F221-L253 HydrophobicContact CG-CB 4Å; F221-L253 HydrophobicContact CG-CD1 4.35Å; F221-V254 CarbonylContact C-O 3.58Å; F221-V254 WeakPolarHBondContact CA-O 2.89Å; F221-P255 HydrophobicContact CD1-CB 4.27Å; F221-P255 HydrophobicContact CE1-CB 3.98Å |
| 222 | S | 84.8 | Confident | 75.3 | Confident | 52 Ų | 52 | 96.1 Ų | 96.1 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 147.8 | 165.4 | 62 | 0 | 0 | 0 | 0 | 110.3 | L253 V254 | S222-L253 WeakPolarHBondContact O-CA 3.37Å; S222-V254 PolarHBondContact N-O 3.4Å; S222-V254 PolarHBondContact O-N 2.93Å; S222-V254 PolarHBondContact OG-O 2.82Å |
| 223 | V | 87.3 | Confident | 76.7 | Confident | 67 Ų | 67 | 91.9 Ų | 91.9 | 41% | 0.406 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 123.3 | 176.8 | -176.2 | 0 | 0 | 0 | 0 | 109 | F183 Y251 L253 | F183-V223 HydrophobicContact CD1-CG2 4.39Å; F183-V223 HydrophobicContact CE1-CG2 4Å; V223-Y251 VanDerWaalsContact CG1-CB 3.49Å; V223-Y251 HydrophobicContact CG1-CD1 3.63Å; V223-Y251 HydrophobicContact CG1-CE1 4.49Å; V223-Y251 HydrophobicContact CG1-CG 3.64Å; V223-L253 HydrophobicContact CG2-CD2 4.2Å |
| 224 | H | 84.8 | Confident | 78 | Confident | 87 Ų | 87 | 87.7 Ų | 87.7 | 40% | 0.403 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 126.6 | 171.4 | -171.6 | -87.1 | 0 | 0 | 0 | 109.8 | W252 V254 | H224-W252 HydrophobicContact CB-CB 4.02Å; H224-W252 VanDerWaalsContact CB-O 3.29Å; H224-W252 WeakPolarHBondContact CB-O 3.33Å; H224-W252 PolarHBondContact N-O 2.83Å; H224-V254 HydrophobicContact CB-CG2 3.94Å |
| 225 | L | 84.2 | Confident | 79.3 | Confident | 125 Ų | 125 | 88.6 Ų | 88.6 | 65% | 0.654 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 149.6 | 176.9 | -67 | 166.3 | 0 | 0 | 0 | 109.6 | Y251 | L225-Y251 HydrophobicContact CD2-CD1 4.13Å; L225-Y251 HydrophobicContact CD2-CE1 3.84Å |
| 226 | P | 87.9 | Confident | 80.4 | Confident | 107 Ų | 107 | 85.2 Ų | 85.2 | 70% | 0.695 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | cis | -78.3 | 176.4 | -1.1 | 34.1 | -36.5 | 0 | 0 | 0 | 113.2 | ||
| 227 | A | 88.4 | Confident | 81.2 | Confident | 34 Ų | 34 | 85.2 Ų | 85.2 | 28% | 0.281 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 147.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P249 T250 Y251 | A227-P249 HydrophobicContact CB-CB 4.41Å; A227-T250 CarbonylContact C-O 3.49Å; A227-T250 VanDerWaalsContact CA-O 3.3Å; A227-T250 WeakPolarHBondContact CA-O 3.27Å; A227-Y251 HydrophobicContact CB-CD1 3.98Å; A227-Y251 HydrophobicContact CB-CE1 3.56Å |
| 228 | L | 87.4 | Confident | 81.8 | Confident | 17 Ų | 17 | 82 Ų | 82 | 9% | 0.089 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 141.9 | 173.8 | -74.8 | 107.7 | 0 | 0 | 0 | 111 | L184 E232 I233 L236 T250 W252 | L184-L228 HydrophobicContact CD1-CD1 4.35Å; L228-E232 HydrophobicContact CB-CB 4.48Å; L228-E232 HydrophobicContact CD2-CB 3.82Å; L228-I233 HydrophobicContact CB-CG1 4.19Å; L228-L236 HydrophobicContact CD2-CD1 4.29Å; L228-T250 HydrophobicContact CD1-CG2 3.98Å; L228-T250 WeakPolarHBondContact CD1-O 3.44Å; L228-T250 PolarHBondContact N-O 2.65Å; L228-W252 VanDerWaalsContact CD1-CD1 3.48Å; L228-W252 HydrophobicContact CD1-CG 4.16Å; L228-W252 VanDerWaalsContact CD2-NE1 3.27Å |
| 229 | K | 87 | Confident | 82.3 | Confident | 142 Ų | 142 | 79.4 Ų | 79.4 | 62% | 0.617 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 154.8 | 170.9 | -63.5 | 172.8 | -174.2 | 167.1 | 0 | 110.1 | Q231 E232 I233 | K229-Q231 PolarHBondContact O-N 2.89Å; K229-Q231 VanDerWaalsContact O-N 3.12Å; K229-E232 HydrophobicContact CB-CG 4.43Å; K229-E232 WeakPolarHBondContact O-CB 3.46Å; K229-E232 PolarHBondContact O-N 3.47Å; K229-I233 PolarHBondContact O-N 3.47Å |
| 230 | S | 83.2 | Confident | 82.6 | Confident | 90 Ų | 90 | 77.2 Ų | 77.2 | 63% | 0.629 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -55.6 | -32.8 | 178.6 | -50.5 | 0 | 0 | 0 | 0 | 113.6 | I233 V234 | S230-I233 PolarHBondContact O-N 3.49Å; S230-V234 WeakPolarHBondContact O-CG2 3.35Å; S230-V234 PolarHBondContact O-N 2.79Å; S230-V234 VanDerWaalsContact O-N 3.15Å |
| 231 | Q | 81.9 | Confident | 82.8 | Confident | 151 Ų | 151 | 73.1 Ų | 73.1 | 71% | 0.706 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.6 | -44.6 | 175.2 | -72.1 | 175.1 | -14.7 | 0 | 0 | 111.8 | K229 I233 V234 D235 | K229-Q231 PolarHBondContact O-N 2.89Å; K229-Q231 VanDerWaalsContact O-N 3.12Å; Q231-I233 VanDerWaalsContact C-N 3.27Å; Q231-I233 PolarHBondContact O-N 3.08Å; Q231-V234 PolarHBondContact O-N 2.83Å; Q231-V234 VanDerWaalsContact O-N 3.12Å; Q231-D235 PolarHBondContact O-N 2.98Å |
| 232 | E | 82.4 | Confident | 82.7 | Confident | 84 Ų | 84 | 71.6 Ų | 71.6 | 39% | 0.393 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65 | -33 | 179 | -60.7 | 167.9 | -151.4 | 0 | 0 | 111.6 | L228 K229 D235 L236 | L228-E232 HydrophobicContact CB-CB 4.48Å; L228-E232 HydrophobicContact CD2-CB 3.82Å; K229-E232 HydrophobicContact CB-CG 4.43Å; K229-E232 WeakPolarHBondContact O-CB 3.46Å; K229-E232 PolarHBondContact O-N 3.47Å; E232-D235 PolarHBondContact O-N 3.44Å; E232-L236 WeakPolarHBondContact O-CD1 3.42Å; E232-L236 PolarHBondContact O-N 2.94Å |
| 233 | I | 82 | Confident | 82.8 | Confident | 13 Ų | 13 | 73.7 Ų | 73.7 | 7% | 0.067 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.1 | -41 | 173.5 | -60.3 | 173.5 | 0 | 0 | 0 | 111.3 | L228 K229 S230 Q231 L236 V241 | L228-I233 HydrophobicContact CB-CG1 4.19Å; K229-I233 PolarHBondContact O-N 3.47Å; S230-I233 PolarHBondContact O-N 3.49Å; Q231-I233 VanDerWaalsContact C-N 3.27Å; Q231-I233 PolarHBondContact O-N 3.08Å; I233-L236 WeakPolarHBondContact O-CB 3.39Å; I233-L236 PolarHBondContact O-N 2.9Å; I233-V241 HydrophobicContact CG2-CG1 4.22Å |
| 234 | V | 80.2 | Confident | 82.8 | Confident | 103 Ų | 103 | 71.9 Ų | 71.9 | 62% | 0.624 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -70.8 | -35.6 | 176.5 | 176 | 0 | 0 | 0 | 0 | 111 | S230 Q231 L236 K237 | S230-V234 WeakPolarHBondContact O-CG2 3.35Å; S230-V234 PolarHBondContact O-N 2.79Å; S230-V234 VanDerWaalsContact O-N 3.15Å; Q231-V234 PolarHBondContact O-N 2.83Å; Q231-V234 VanDerWaalsContact O-N 3.12Å; V234-L236 PolarHBondContact O-N 2.79Å; V234-K237 PolarHBondContact O-N 3.47Å |
| 235 | D | 79.2 | Confident | 83 | Confident | 117 Ų | 117 | 67.7 Ų | 67.7 | 63% | 0.626 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66.6 | -22.5 | 178.9 | -69.6 | -24.2 | 0 | 0 | 0 | 113.3 | Q231 E232 K237 | Q231-D235 PolarHBondContact O-N 2.98Å; E232-D235 PolarHBondContact O-N 3.44Å; D235-K237 PolarHBondContact O-N 2.97Å |
| 236 | L | 76.3 | Confident | 83 | Confident | 12 Ų | 12 | 65.6 Ų | 65.6 | 6% | 0.063 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19 | 171.4 | -82.3 | 146.9 | 0 | 0 | 0 | 112.8 | V158 I171 L184 L228 E232 I233 V234 S238 W252 | V158-L236 VanDerWaalsContact CG1-O 3.25Å; V158-L236 WeakPolarHBondContact CG1-O 2.92Å; V158-L236 VanDerWaalsContact CG2-O 3.24Å; V158-L236 WeakPolarHBondContact CG2-O 3.27Å; I171-L236 HydrophobicContact CD1-CD2 3.27Å; L184-L236 HydrophobicContact CD1-CD1 3.96Å; L228-L236 HydrophobicContact CD2-CD1 4.29Å; E232-L236 WeakPolarHBondContact O-CD1 3.42Å; E232-L236 PolarHBondContact O-N 2.94Å; I233-L236 WeakPolarHBondContact O-CB 3.39Å; I233-L236 PolarHBondContact O-N 2.9Å; V234-L236 PolarHBondContact O-N 2.79Å; L236-S238 PolarHBondContact O-N 3.08Å; L236-W252 HydrophobicContact CD1-CZ2 4.18Å; L236-W252 HydrophobicContact CD2-CH2 4Å; L236-W252 HydrophobicContact CD2-CZ2 3.76Å |
| 237 | K | 72.7 | Confident | 83 | Confident | 136 Ų | 136 | 67.9 Ų | 67.9 | 59% | 0.591 | 37% | 0.369 | S | S | * | . | trans | 55.1 | 17.4 | 177.8 | -67.1 | 177.6 | -180 | 174.5 | 0 | 115.1 | V234 D235 | V234-K237 PolarHBondContact O-N 3.47Å; D235-K237 PolarHBondContact O-N 2.97Å | ||
| 238 | S | 76.1 | Confident | 83.1 | Confident | 3 Ų | 3 | 67.1 Ų | 67.1 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | trans | -91.2 | 117.1 | 172.4 | 41.4 | 0 | 0 | 0 | 0 | 109.5 | D154 L236 E240 V241 A242 | D154-S238 WeakPolarHBondContact OD2-CB 3.41Å; L236-S238 PolarHBondContact O-N 3.08Å; S238-E240 PolarHBondContact O-N 3.37Å; S238-V241 WeakPolarHBondContact OG-CB 3.4Å; S238-V241 WeakPolarHBondContact OG-CG2 3.47Å; S238-A242 PolarHBondContact O-N 2.54Å; S238-A242 VanDerWaalsContact O-N 3.13Å | ||
| 239 | V | 80.9 | Confident | 83.3 | Confident | 92 Ų | 92 | 68.9 Ų | 68.9 | 56% | 0.558 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.2 | -41.9 | 179.1 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | A242 V243 | V239-A242 WeakPolarHBondContact O-CB 3.03Å; V239-A242 PolarHBondContact O-N 3.17Å; V239-V243 HydrophobicContact CG1-CG2 4.33Å; V239-V243 VanDerWaalsContact O-CG2 3.29Å; V239-V243 WeakPolarHBondContact O-CG2 2.98Å; V239-V243 PolarHBondContact O-N 3.36Å |
| 240 | E | 82.7 | Confident | 83.5 | Confident | 40 Ų | 40 | 62.1 Ų | 62.1 | 19% | 0.187 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.8 | -40.7 | -174.7 | -166.2 | 62.1 | -161.2 | 0 | 0 | 112.8 | V135 V152 S238 A242 V243 E244 | V135-E240 HydrophobicContact CG1-CB 4.33Å; V135-E240 HydrophobicContact CG1-CG 3.82Å; V135-E240 HydrophobicContact CG2-CB 4.35Å; V152-E240 HydrophobicContact CG1-CB 4.48Å; V152-E240 HydrophobicContact CG1-CG 3.35Å; S238-E240 PolarHBondContact O-N 3.37Å; E240-A242 VanDerWaalsContact C-N 3.3Å; E240-A242 PolarHBondContact O-N 3.34Å; E240-V243 PolarHBondContact O-N 2.9Å; E240-E244 WeakPolarHBondContact O-CB 3.46Å; E240-E244 PolarHBondContact O-N 3.26Å |
| 241 | V | 83.3 | Confident | 83.9 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 174.2 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | L184 I233 S238 C245 | L184-V241 HydrophobicContact CD1-CG1 4.45Å; L184-V241 HydrophobicContact CD2-CG1 4Å; L184-V241 HydrophobicContact CD2-CG2 4.35Å; I233-V241 HydrophobicContact CG2-CG1 4.22Å; S238-V241 WeakPolarHBondContact OG-CB 3.4Å; S238-V241 WeakPolarHBondContact OG-CG2 3.47Å; V241-C245 HydrophobicContact CG1-CB 4.35Å; V241-C245 WeakPolarHBondContact O-CA 3.5Å; V241-C245 WeakPolarHBondContact O-CB 3.38Å; V241-C245 PolarHBondContact O-N 2.67Å |
| 242 | A | 84.7 | Confident | 84.3 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 24% | 0.24 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | S238 V239 E240 T246 | S238-A242 PolarHBondContact O-N 2.54Å; S238-A242 VanDerWaalsContact O-N 3.13Å; V239-A242 WeakPolarHBondContact O-CB 3.03Å; V239-A242 PolarHBondContact O-N 3.17Å; E240-A242 VanDerWaalsContact C-N 3.3Å; E240-A242 PolarHBondContact O-N 3.34Å; A242-T246 VanDerWaalsContact O-CB 3.26Å; A242-T246 WeakPolarHBondContact O-CB 3.29Å; A242-T246 PolarHBondContact O-N 3.06Å; A242-T246 PolarHBondContact O-OG1 3.41Å |
| 243 | V | 87.1 | Confident | 84.6 | Confident | 96 Ų | 96 | 51.3 Ų | 51.3 | 58% | 0.582 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.2 | -48.3 | -179.9 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | V239 E240 | V239-V243 HydrophobicContact CG1-CG2 4.33Å; V239-V243 VanDerWaalsContact O-CG2 3.29Å; V239-V243 WeakPolarHBondContact O-CG2 2.98Å; V239-V243 PolarHBondContact O-N 3.36Å; E240-V243 PolarHBondContact O-N 2.9Å |
| 244 | E | 87.1 | Confident | 84.8 | Confident | 29 Ų | 29 | 53 Ų | 53 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -81.8 | -27.7 | -171.7 | -74.1 | -67.3 | 176.3 | 0 | 0 | 113.9 | K137 L173 K175 E240 | K137-E244 IonicContact NZ-OE1 3.69Å; K137-E244 PolarHBondContact NZ-OE1 3.43Å; L173-E244 HydrophobicContact CD2-CB 3.66Å; L173-E244 HydrophobicContact CD2-CG 4.41Å; K175-E244 WeakPolarHBondContact CD-OE2 3.26Å; K175-E244 WeakPolarHBondContact CE-O 3.27Å; K175-E244 PolarHBondContact NZ-O 2.84Å; K175-E244 IonicContact NZ-OE2 2.65Å; K175-E244 PolarHBondContact NZ-OE2 2.86Å; E240-E244 WeakPolarHBondContact O-CB 3.46Å; E240-E244 PolarHBondContact O-N 3.26Å |
| 245 | C | 88.3 | Confident | 85 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -112.3 | 9.2 | -174.2 | -57.3 | 0 | 0 | 0 | 0 | 114.9 | L173 C182 V241 N247 V248 | L173-C245 WeakPolarHBondContact CD1-SG 3.44Å; L173-C245 VanDerWaalsContact CD2-SG 3.52Å; C182-C245 HydrophobicContact CB-CB 3.76Å; C182-C245 WeakPolarHBondContact CB-SG 3.45Å; C182-C245 WeakPolarHBondContact SG-CA 3.29Å; C182-C245 WeakPolarHBondContact SG-CB 3.39Å; C182-C245 CovalentContact SG-SG 2.04Å; C182-C245 PolarHBondContact SG-SG 2.95Å; V241-C245 HydrophobicContact CG1-CB 4.35Å; V241-C245 WeakPolarHBondContact O-CA 3.5Å; V241-C245 WeakPolarHBondContact O-CB 3.38Å; V241-C245 PolarHBondContact O-N 2.67Å; C245-N247 PolarHBondContact O-N 2.9Å; C245-V248 VanDerWaalsContact CA-CG2 3.42Å; C245-V248 HydrophobicContact CB-CG2 3.95Å; C245-V248 VanDerWaalsContact O-CG2 3.28Å; C245-V248 WeakPolarHBondContact O-CG2 3.49Å; C245-V248 PolarHBondContact O-N 2.77Å |
| 246 | T | 85.2 | Confident | 85 | Confident | 80 Ų | 80 | 48.9 Ų | 48.9 | 49% | 0.491 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 133.8 | 169.8 | -75.7 | 0 | 0 | 0 | 0 | 110.1 | A242 V248 | A242-T246 VanDerWaalsContact O-CB 3.26Å; A242-T246 WeakPolarHBondContact O-CB 3.29Å; A242-T246 PolarHBondContact O-N 3.06Å; A242-T246 PolarHBondContact O-OG1 3.41Å; T246-V248 PolarHBondContact O-N 3.06Å |
| 247 | N | 87 | Confident | 84.9 | Confident | 155 Ų | 155 | 56.6 Ų | 56.6 | 83% | 0.829 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 13.9 | 178.6 | -56.2 | -32.1 | 0 | 0 | 0 | 116.4 | C245 | C245-N247 PolarHBondContact O-N 2.9Š|
| 248 | V | 90.4 | Very high | 84.4 | Confident | 18 Ų | 18 | 59.1 Ų | 59.1 | 11% | 0.109 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -118.9 | 144.7 | 173.2 | -64.2 | 0 | 0 | 0 | 0 | 110.7 | N180 C182 C245 T246 T250 | N180-V248 VanDerWaalsContact OD1-CG1 3.28Å; N180-V248 WeakPolarHBondContact OD1-CG1 3.39Å; C182-V248 HydrophobicContact CB-CG2 4.31Å; C182-V248 VanDerWaalsContact SG-CG2 3.57Å; C245-V248 VanDerWaalsContact CA-CG2 3.42Å; C245-V248 HydrophobicContact CB-CG2 3.95Å; C245-V248 VanDerWaalsContact O-CG2 3.28Å; C245-V248 WeakPolarHBondContact O-CG2 3.49Å; C245-V248 PolarHBondContact O-N 2.77Å; T246-V248 PolarHBondContact O-N 3.06Å; V248-T250 PolarHBondContact O-N 2.87Å; V248-T250 PolarHBondContact O-OG1 3.31Å |
| 249 | P | 91.5 | Very high | 83.3 | Confident | 55 Ų | 55 | 67.4 Ų | 67.4 | 36% | 0.357 | 36% | 0.358 | S | S | . | . | trans | -66.5 | 123.1 | 177.8 | 30.3 | -35.2 | 0 | 0 | 0 | 108.8 | K181 C182 A227 Y251 | K181-P249 HydrophobicContact CD-CG 4.37Å; K181-P249 HydrophobicContact CG-CG 3.89Å; C182-P249 PolarHBondContact N-O 2.67Å; C182-P249 VanDerWaalsContact N-O 3.12Å; A227-P249 HydrophobicContact CB-CB 4.41Å; P249-Y251 HydrophobicContact CB-CE2 3.83Å; P249-Y251 HydrophobicContact CG-CE2 4.26Å | ||
| 250 | T | 91 | Very high | 81.7 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136.5 | -176.6 | -56 | 0 | 0 | 0 | 0 | 109.1 | C182 L184 A227 L228 V248 | C182-T250 HydrophobicContact CB-CG2 3.8Å; C182-T250 CarbonylContact O-C 3.53Å; C182-T250 VanDerWaalsContact O-CA 3.31Å; C182-T250 WeakPolarHBondContact O-CA 3.17Å; L184-T250 HydrophobicContact CD1-CG2 3.63Å; L184-T250 HydrophobicContact CD2-CG2 4.35Å; L184-T250 HydrophobicContact CG-CG2 3.67Å; A227-T250 CarbonylContact C-O 3.49Å; A227-T250 VanDerWaalsContact CA-O 3.3Å; A227-T250 WeakPolarHBondContact CA-O 3.27Å; L228-T250 HydrophobicContact CD1-CG2 3.98Å; L228-T250 WeakPolarHBondContact CD1-O 3.44Å; L228-T250 PolarHBondContact N-O 2.65Å; V248-T250 PolarHBondContact O-N 2.87Å; V248-T250 PolarHBondContact O-OG1 3.31Å |
| 251 | Y | 91.6 | Very high | 80 | Confident | 47 Ų | 47 | 81.1 Ų | 81.1 | 18% | 0.184 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 147.4 | -178.2 | -55.8 | -92.8 | 0 | 0 | 0 | 111.3 | K181 C182 F183 L184 V223 L225 A227 P249 | K181-Y251 HydrophobicContact CD-CE2 3.95Å; C182-Y251 PolarHBondContact O-N 2.8Å; F183-Y251 CarbonylContact C-O 3.52Å; F183-Y251 WeakPolarHBondContact CA-O 3.18Å; F183-Y251 HydrophobicContact CD1-CD2 4.46Å; F183-Y251 HydrophobicContact CE1-CD2 4.16Å; L184-Y251 PolarHBondContact N-O 2.83Å; V223-Y251 VanDerWaalsContact CG1-CB 3.49Å; V223-Y251 HydrophobicContact CG1-CD1 3.63Å; V223-Y251 HydrophobicContact CG1-CE1 4.49Å; V223-Y251 HydrophobicContact CG1-CG 3.64Å; L225-Y251 HydrophobicContact CD2-CD1 4.13Å; L225-Y251 HydrophobicContact CD2-CE1 3.84Å; A227-Y251 HydrophobicContact CB-CD1 3.98Å; A227-Y251 HydrophobicContact CB-CE1 3.56Å; P249-Y251 HydrophobicContact CB-CE2 3.83Å; P249-Y251 HydrophobicContact CG-CE2 4.26Å |
| 252 | W | 89.7 | Confident | 78.5 | Confident | 29 Ų | 29 | 86.6 Ų | 86.6 | 11% | 0.11 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 140.1 | 168.5 | -78.6 | 110.1 | 0 | 0 | 0 | 110.9 | F167 I171 L184 H224 L228 L236 | F167-W252 AromaticContact CD1-CH2 3.93Å; F167-W252 HydrophobicContact CD1-CH2 3.93Å; F167-W252 AromaticContact CD1-CZ2 3.68Å; F167-W252 HydrophobicContact CD1-CZ2 3.68Å; F167-W252 HydrophobicContact CE1-CD2 4.18Å; F167-W252 AromaticContact CE1-CE2 3.4Å; F167-W252 AromaticContact CE1-CH2 3.95Å; F167-W252 HydrophobicContact CE1-CH2 3.95Å; F167-W252 AromaticContact CE1-CZ2 3.29Å; F167-W252 HydrophobicContact CE1-CZ2 3.29Å; F167-W252 AromaticContact CE1-NE1 3.57Å; F167-W252 HydrophobicContact CZ-CZ2 4.17Å; F167-W252 AromaticContact CZ-NE1 3.84Å; I171-W252 HydrophobicContact CD1-CH2 4.13Å; I171-W252 HydrophobicContact CG2-CH2 4.49Å; L184-W252 HydrophobicContact CB-CD2 3.93Å; L184-W252 HydrophobicContact CB-CE3 3.47Å; L184-W252 VanDerWaalsContact CB-CE3 3.47Å; L184-W252 HydrophobicContact CB-CH2 3.84Å; L184-W252 HydrophobicContact CB-CZ2 4.25Å; L184-W252 HydrophobicContact CB-CZ3 3.44Å; L184-W252 VanDerWaalsContact CB-CZ3 3.44Å; L184-W252 HydrophobicContact CD1-CD2 4.47Å; L184-W252 HydrophobicContact CD1-CH2 4Å; L184-W252 HydrophobicContact CD1-CZ2 3.78Å; L184-W252 HydrophobicContact CD1-CZ3 4.44Å; H224-W252 HydrophobicContact CB-CB 4.02Å; H224-W252 VanDerWaalsContact CB-O 3.29Å; H224-W252 WeakPolarHBondContact CB-O 3.33Å; H224-W252 PolarHBondContact N-O 2.83Å; L228-W252 VanDerWaalsContact CD1-CD1 3.48Å; L228-W252 HydrophobicContact CD1-CG 4.16Å; L228-W252 VanDerWaalsContact CD2-NE1 3.27Å; L236-W252 HydrophobicContact CD1-CZ2 4.18Å; L236-W252 HydrophobicContact CD2-CH2 4Å; L236-W252 HydrophobicContact CD2-CZ2 3.76Å |
| 253 | L | 89.9 | Confident | 76.5 | Confident | 21 Ų | 21 | 96.1 Ų | 96.1 | 11% | 0.11 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 134 | 170.7 | -65.9 | -179.1 | 0 | 0 | 0 | 109.9 | I174 F183 L184 K185 F221 S222 V223 | I174-L253 HydrophobicContact CD1-CD1 4.15Å; F183-L253 HydrophobicContact CB-CD1 3.83Å; F183-L253 HydrophobicContact CB-CD2 4.16Å; F183-L253 HydrophobicContact CB-CG 3.91Å; F183-L253 HydrophobicContact CD1-CD2 3.91Å; F183-L253 HydrophobicContact CG-CD2 4.36Å; L184-L253 WeakPolarHBondContact O-CB 3.28Å; L184-L253 PolarHBondContact O-N 3.35Å; K185-L253 HydrophobicContact CB-CB 4.13Å; K185-L253 HydrophobicContact CB-CD1 4.39Å; F221-L253 HydrophobicContact CB-CB 3.93Å; F221-L253 HydrophobicContact CB-CD1 4.29Å; F221-L253 HydrophobicContact CB-CD2 4.13Å; F221-L253 HydrophobicContact CB-CG 4.34Å; F221-L253 HydrophobicContact CD1-CB 3.81Å; F221-L253 HydrophobicContact CG-CB 4Å; F221-L253 HydrophobicContact CG-CD1 4.35Å; S222-L253 WeakPolarHBondContact O-CA 3.37Å; V223-L253 HydrophobicContact CG2-CD2 4.2Å |
| 254 | V | 86.1 | Confident | 74.5 | Confident | 48 Ų | 48 | 103.7 Ų | 103.7 | 29% | 0.291 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.2 | 177.6 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | F221 S222 H224 V256 | F221-V254 CarbonylContact C-O 3.58Å; F221-V254 WeakPolarHBondContact CA-O 2.89Å; S222-V254 PolarHBondContact N-O 3.4Å; S222-V254 PolarHBondContact O-N 2.93Å; S222-V254 PolarHBondContact OG-O 2.82Å; H224-V254 HydrophobicContact CB-CG2 3.94Å; V254-V256 PolarHBondContact O-N 3.39Å |
| 255 | P | 84.2 | Confident | 72.4 | Confident | 70 Ų | 70 | 105.2 Ų | 105.2 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 132 | -179.6 | 25.7 | -34 | 0 | 0 | 0 | 110.5 | F221 K257 | F221-P255 HydrophobicContact CD1-CB 4.27Å; F221-P255 HydrophobicContact CE1-CB 3.98Å; P255-K257 PolarHBondContact O-N 2.88Å |
| 256 | V | 80.4 | Confident | 70.5 | Confident | 65 Ų | 65 | 112 Ų | 112 | 39% | 0.394 | 53% | 0.528 | S | S | . | . | trans | -80.3 | 102.4 | 174.6 | -176.9 | 0 | 0 | 0 | 0 | 107.7 | N220 V254 E258 | N220-V256 HydrophobicContact CB-CB 4.16Å; N220-V256 HydrophobicContact CB-CG2 4.4Å; N220-V256 PolarHBondContact O-N 2.88Å; V254-V256 PolarHBondContact O-N 3.39Å; V256-E258 PolarHBondContact O-N 3.06Å | ||
| 257 | K | 73.5 | Confident | 68.9 | Low | 173 Ų | 173 | 112.9 Ų | 112.9 | 75% | 0.752 | 54% | 0.543 | S | S | * | . | trans | -65 | 130.8 | 168.4 | -63.5 | -178.2 | 179.4 | -177.3 | 0 | 108.5 | P255 E259 | P255-K257 PolarHBondContact O-N 2.88Å; K257-E259 PolarHBondContact O-N 3.42Å | ||
| 258 | E | 61 | Low | 67.2 | Low | 189 Ų | 189 | 108.8 Ų | 108.8 | 88% | 0.883 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 6.4 | -174.5 | -68 | -169.5 | 156.5 | 0 | 0 | 115.6 | V256 R260 | V256-E258 PolarHBondContact O-N 3.06Å; E258-R260 VanDerWaalsContact C-N 3.34Å; E258-R260 PolarHBondContact O-N 3Å |
| 259 | E | 52.9 | Low | 65.7 | Low | 178 Ų | 178 | 114 Ų | 114 | 83% | 0.832 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 9.5 | -178.6 | -79.8 | -175.2 | 159.9 | 0 | 0 | 115.5 | K257 R261 | K257-E259 PolarHBondContact O-N 3.42Å; E259-R261 PolarHBondContact O-N 2.77Å |
| 260 | R | 48.8 | Very low | 64.5 | Low | 176 Ų | 176 | 114 Ų | 114 | 66% | 0.664 | 57% | 0.572 | S | S | * | * | trans | -77.3 | 73.6 | 163 | -62.3 | -147 | -167.4 | 178.7 | 8.7 | 109.3 | E258 F262 | E258-R260 VanDerWaalsContact C-N 3.34Å; E258-R260 PolarHBondContact O-N 3Å; R260-F262 HydrophobicContact CB-CD2 4.07Å; R260-F262 HydrophobicContact CB-CE2 3.86Å; R260-F262 WeakPolarHBondContact O-CD2 3.38Å; R260-F262 PolarHBondContact O-N 3.48Å | ||
| 261 | R | 46.8 | Very low | 63.3 | Low | 243 Ų | 243 | 116.1 Ų | 116.1 | 92% | 0.917 | 59% | 0.586 | S | S | * | * | trans | -57.8 | 84.9 | 156 | -78 | -171.4 | -174.6 | -173.2 | 3.1 | 107.4 | E259 R263 | E259-R261 PolarHBondContact O-N 2.77Å; R261-R263 PolarHBondContact O-N 3.37Å; R261-R263 VanDerWaalsContact O-N 3.12Å | ||
| 262 | F | 50.7 | Low | 62.5 | Low | 118 Ų | 118 | 116.6 Ų | 116.6 | 52% | 0.518 | 60% | 0.596 | S | S | . | * | trans | -60.6 | 117.3 | 158.7 | -77 | -86.9 | 0 | 0 | 0 | 105.6 | R260 R264 | R260-F262 HydrophobicContact CB-CD2 4.07Å; R260-F262 HydrophobicContact CB-CE2 3.86Å; R260-F262 WeakPolarHBondContact O-CD2 3.38Å; R260-F262 PolarHBondContact O-N 3.48Å; F262-R264 PolarHBondContact O-N 2.84Å; F262-R264 VanDerWaalsContact O-N 3.17Å | ||
| 263 | R | 43.7 | Very low | 61.8 | Low | 228 Ų | 228 | 122.9 Ų | 122.9 | 86% | 0.86 | 62% | 0.624 | S | S | * | * | trans | -46.8 | 129.3 | 161.2 | -101.3 | -179.1 | 172.7 | 175.8 | -1.8 | 105.4 | R261 A265 | R261-R263 PolarHBondContact O-N 3.37Å; R261-R263 VanDerWaalsContact O-N 3.12Å; R263-A265 PolarHBondContact O-N 2.85Å | ||
| 264 | R | 43.6 | Very low | 61.2 | Low | 256 Ų | 256 | 126 Ų | 126 | 97% | 0.966 | 64% | 0.638 | S | S | * | * | trans | -62.2 | 71.7 | 165.7 | -82.2 | -177.1 | -87.4 | 176.8 | -7 | 108.2 | F262 | F262-R264 PolarHBondContact O-N 2.84Å; F262-R264 VanDerWaalsContact O-N 3.17Å | ||
| 265 | A | 44.4 | Very low | 60.6 | Low | 60 Ų | 60 | 130.6 Ų | 130.6 | 50% | 0.496 | 65% | 0.654 | S | S | . | * | trans | -88.1 | 108.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 104.7 | R263 A267 | R263-A265 PolarHBondContact O-N 2.85Å; A265-A267 PolarHBondContact O-N 3.25Å | ||
| 266 | V | 49 | Very low | 60.2 | Low | 143 Ų | 143 | 130.4 Ų | 130.4 | 87% | 0.867 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 7.2 | 107.5 | 155.3 | -177.3 | 0 | 0 | 0 | 0 | 113.4 | T268 | V266-T268 PolarHBondContact O-N 2.81Š|
| 267 | A | 51.5 | Low | 60 | Low | 99 Ų | 99 | 127.5 Ų | 127.5 | 82% | 0.818 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 35.2 | 67.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A265 S269 | A265-A267 PolarHBondContact O-N 3.25Å; A267-S269 PolarHBondContact O-N 2.87Å |
| 268 | T | 51.1 | Low | 60.2 | Low | 69 Ų | 69 | 122.9 Ų | 122.9 | 42% | 0.423 | 61% | 0.609 | S | S | . | * | trans | -49.7 | 105.4 | 173.5 | 26.8 | 0 | 0 | 0 | 0 | 109.3 | V266 G270 C271 | V266-T268 PolarHBondContact O-N 2.81Å; T268-G270 VanDerWaalsContact C-N 3.34Å; T268-G270 PolarHBondContact O-N 2.94Å; T268-C271 PolarHBondContact O-N 2.98Å | ||
| 269 | S | 58.8 | Low | 60.7 | Low | 126 Ų | 126 | 117.4 Ų | 117.4 | 88% | 0.881 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 94.2 | 176.1 | 51.4 | 0 | 0 | 0 | 0 | 108.1 | A267 | A267-S269 PolarHBondContact O-N 2.87Š|
| 270 | G | 65.4 | Low | 61.7 | Low | 57 Ų | 57 | 112.5 Ų | 112.5 | 59% | 0.588 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.6 | -10.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | T268 | T268-G270 VanDerWaalsContact C-N 3.34Å; T268-G270 PolarHBondContact O-N 2.94Å |
| 271 | C | 67 | Low | 62.6 | Low | 44 Ų | 44 | 106.1 Ų | 106.1 | 30% | 0.297 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.8 | 124.5 | 172.1 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | T268 T291 M292 C293 | T268-C271 PolarHBondContact O-N 2.98Å; C271-T291 HydrophobicContact CB-CG2 3.9Å; C271-M292 CarbonylContact C-O 3.57Å; C271-M292 WeakPolarHBondContact CA-O 3.07Å; C271-C293 HydrophobicContact CB-CB 4.14Å; C271-C293 WeakPolarHBondContact CB-SG 3.47Å; C271-C293 WeakPolarHBondContact SG-CB 3.2Å; C271-C293 CovalentContact SG-SG 2.04Å; C271-C293 PolarHBondContact SG-SG 3.36Å |
| 272 | S | 73.8 | Confident | 63.7 | Low | 57 Ų | 57 | 100.6 Ų | 100.6 | 40% | 0.399 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 142.7 | 172.9 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | T291 M292 | S272-T291 CarbonylContact O-C 3.58Å; S272-T291 WeakPolarHBondContact O-CA 3.39Å; S272-M292 PolarHBondContact N-O 3.17Å; S272-M292 PolarHBondContact O-N 3.12Å |
| 273 | K | 75.8 | Confident | 64.5 | Low | 160 Ų | 160 | 99.5 Ų | 99.5 | 70% | 0.696 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 111.1 | 170.1 | -73.8 | -176.3 | -179.8 | -180 | 0 | 108 | T289 | K273-T289 HydrophobicContact CB-CG2 3.86Å; K273-T289 HydrophobicContact CD-CG2 4.49Å; K273-T289 HydrophobicContact CG-CG2 4.42Å |
| 274 | E | 75.8 | Confident | 65.8 | Low | 87 Ų | 87 | 90.7 Ų | 90.7 | 41% | 0.407 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 147 | 178.7 | -68 | -174 | -164.5 | 0 | 0 | 109.7 | F276 T289 V290 M292 | E274-F276 HydrophobicContact CB-CD2 4.35Å; E274-F276 HydrophobicContact CB-CE2 3.69Å; E274-F276 HydrophobicContact CB-CZ 4.29Å; E274-T289 CarbonylContact O-C 3.57Å; E274-T289 WeakPolarHBondContact O-CA 3.28Å; E274-V290 PolarHBondContact N-O 2.66Å; E274-V290 PolarHBondContact O-N 2.83Å; E274-M292 HydrophobicContact CB-SD 4.42Å; E274-M292 HydrophobicContact CG-SD 4.46Å |
| 275 | K | 75.3 | Confident | 67.2 | Low | 144 Ų | 144 | 78.5 Ų | 78.5 | 63% | 0.626 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 127.5 | 176.1 | -64.7 | -176 | 179.6 | -179.4 | 0 | 108.5 | M287 E288 | K275-M287 HydrophobicContact CB-CE 3.64Å; K275-M287 HydrophobicContact CD-CE 4.35Å; K275-E288 WeakPolarHBondContact CA-O 3.47Å |
| 276 | F | 75.5 | Confident | 68.7 | Low | 66 Ų | 66 | 78.1 Ų | 78.1 | 29% | 0.289 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139.3 | 175.2 | -71.7 | -88.7 | 0 | 0 | 0 | 109.5 | E274 M287 E288 V290 M292 | E274-F276 HydrophobicContact CB-CD2 4.35Å; E274-F276 HydrophobicContact CB-CE2 3.69Å; E274-F276 HydrophobicContact CB-CZ 4.29Å; F276-M287 CarbonylContact O-C 3.55Å; F276-M287 WeakPolarHBondContact O-CA 3.29Å; F276-E288 PolarHBondContact N-O 2.94Å; F276-E288 PolarHBondContact O-N 2.94Å; F276-V290 HydrophobicContact CB-CG2 4.29Å; F276-V290 HydrophobicContact CD2-CB 3.63Å; F276-V290 HydrophobicContact CD2-CG2 3.61Å; F276-V290 HydrophobicContact CE2-CB 3.93Å; F276-V290 HydrophobicContact CE2-CG2 4.35Å; F276-V290 HydrophobicContact CG-CG2 4.25Å; F276-M292 HydrophobicContact CE2-CG 4.23Å; F276-M292 HydrophobicContact CE2-SD 3.78Å; F276-M292 HydrophobicContact CZ-CE 4.12Å; F276-M292 HydrophobicContact CZ-SD 3.56Å; F276-M292 VanDerWaalsContact CZ-SD 3.56Å |
| 277 | S | 76.1 | Confident | 70 | Confident | 5 Ų | 5 | 74.6 Ų | 74.6 | 4% | 0.035 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 147.9 | 172.2 | 13.1 | 0 | 0 | 0 | 0 | 109.9 | F143 P145 N146 V285 V286 M287 | F143-S277 VanDerWaalsContact C-OG 3.3Å; F143-S277 WeakPolarHBondContact O-CB 3.38Å; F143-S277 PolarHBondContact O-OG 3.44Å; P145-S277 WeakPolarHBondContact CD-OG 3.33Å; N146-S277 PolarHBondContact ND2-O 2.9Å; N146-S277 PolarHBondContact ND2-OG 3.23Å; N146-S277 PolarHBondContact OD1-N 3.43Å; N146-S277 VanDerWaalsContact OD1-N 3.08Å; N146-S277 PolarHBondContact OD1-OG 3.41Å; S277-V285 VanDerWaalsContact CB-CG1 3.49Å; S277-V286 CarbonylContact C-O 3.55Å; S277-V286 VanDerWaalsContact CA-O 3.28Å; S277-V286 WeakPolarHBondContact CA-O 3.39Å; S277-M287 VanDerWaalsContact CA-SD 3.52Å; S277-M287 WeakPolarHBondContact CB-SD 3.07Å |
| 278 | F | 76.5 | Confident | 71.2 | Confident | 75 Ų | 75 | 73.6 Ų | 73.6 | 33% | 0.329 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 153.7 | 165.9 | 66.2 | -86.6 | 0 | 0 | 0 | 110.7 | N280 V285 V286 E288 | F278-N280 HydrophobicContact CE2-CB 4.16Å; F278-V285 WeakPolarHBondContact O-CA 3.47Å; F278-V286 HydrophobicContact CE1-CB 4.02Å; F278-V286 HydrophobicContact CE1-CG1 4.08Å; F278-V286 HydrophobicContact CE2-CB 4.25Å; F278-V286 HydrophobicContact CZ-CB 3.85Å; F278-V286 HydrophobicContact CZ-CG1 4Å; F278-V286 PolarHBondContact N-O 2.83Å; F278-V286 PolarHBondContact O-N 2.74Å; F278-E288 HydrophobicContact CE1-CB 4.05Å |
| 279 | F | 73.2 | Confident | 72.4 | Confident | 74 Ų | 74 | 74 Ų | 74 | 33% | 0.325 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 122.6 | 174.4 | -179.3 | -115.7 | 0 | 0 | 0 | 109.5 | V112 L123 G281 | V112-F279 HydrophobicContact CG1-CD2 4.44Å; V112-F279 HydrophobicContact CG1-CE2 4.41Å; V112-F279 HydrophobicContact CG2-CD2 3.98Å; V112-F279 HydrophobicContact CG2-CE2 3.45Å; V112-F279 VanDerWaalsContact CG2-CE2 3.45Å; V112-F279 HydrophobicContact CG2-CZ 4.29Å; L123-F279 HydrophobicContact CD1-CD2 4.5Å; F279-G281 VanDerWaalsContact CE1-CA 3.47Å |
| 280 | N | 72.4 | Confident | 73 | Confident | 75 Ų | 75 | 70 Ų | 70 | 40% | 0.401 | 38% | 0.384 | S | S | . | . | trans | -89 | -2.3 | -176.4 | -168.6 | 42.3 | 0 | 0 | 0 | 113.8 | F278 D282 S284 V286 | F278-N280 HydrophobicContact CE2-CB 4.16Å; N280-D282 VanDerWaalsContact C-N 3.28Å; N280-D282 PolarHBondContact O-N 2.87Å; N280-S284 PolarHBondContact N-O 2.83Å; N280-V286 HydrophobicContact CB-CG2 4.26Å | ||
| 281 | G | 68.9 | Low | 73.3 | Confident | 42 Ų | 42 | 71.1 Ų | 71.1 | 43% | 0.433 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 89.8 | -24 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F279 D283 | F279-G281 VanDerWaalsContact CE1-CA 3.47Å; G281-D283 PolarHBondContact O-N 2.81Å |
| 282 | D | 69.1 | Low | 73.2 | Confident | 128 Ų | 128 | 73.3 Ų | 73.3 | 68% | 0.684 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -95.2 | 51.8 | 177.5 | -65.6 | -32 | 0 | 0 | 0 | 111.8 | N280 S284 | N280-D282 VanDerWaalsContact C-N 3.28Å; N280-D282 PolarHBondContact O-N 2.87Å; D282-S284 PolarHBondContact O-N 2.04Å; D282-S284 PolarHBondContact O-OG 3.28Å |
| 283 | D | 66.7 | Low | 72.4 | Confident | 95 Ų | 95 | 73.5 Ų | 73.5 | 51% | 0.508 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 49.1 | 30.5 | 173.4 | -59.1 | -27.8 | 0 | 0 | 0 | 115.9 | V112 V113 G281 | V112-D283 WeakPolarHBondContact CG1-O 3.42Å; V113-D283 PolarHBondContact N-O 2.91Å; G281-D283 PolarHBondContact O-N 2.81Å |
| 284 | S | 71 | Confident | 71.5 | Confident | 42 Ų | 42 | 73 Ų | 73 | 29% | 0.294 | 41% | 0.412 | S | S | . | . | B | Isolated β-bridge | trans | -139.2 | 138.2 | -179.3 | 49.1 | 0 | 0 | 0 | 0 | 111.7 | N280 D282 | N280-S284 PolarHBondContact N-O 2.83Å; D282-S284 PolarHBondContact O-N 2.04Å; D282-S284 PolarHBondContact O-OG 3.28Å |
| 285 | V | 73.9 | Confident | 71.3 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.006 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 116.7 | 168.9 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | V112 N115 L123 F143 S277 F278 | V112-V285 HydrophobicContact CG1-CB 4.47Å; V112-V285 HydrophobicContact CG1-CG2 3.59Å; N115-V285 PolarHBondContact ND2-O 3.39Å; N115-V285 PolarHBondContact OD1-O 2.85Å; N115-V285 VanDerWaalsContact OD1-O 3.06Å; L123-V285 HydrophobicContact CD1-CG2 4.39Å; F143-V285 HydrophobicContact CB-CG1 3.97Å; F143-V285 HydrophobicContact CB-CG2 4.3Å; F143-V285 HydrophobicContact CD1-CG2 4.41Å; S277-V285 VanDerWaalsContact CB-CG1 3.49Å; F278-V285 WeakPolarHBondContact O-CA 3.47Å |
| 286 | V | 75.1 | Confident | 71 | Confident | 52 Ų | 52 | 68.5 Ų | 68.5 | 32% | 0.315 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 144.5 | 176.9 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | S277 F278 N280 | S277-V286 CarbonylContact C-O 3.55Å; S277-V286 VanDerWaalsContact CA-O 3.28Å; S277-V286 WeakPolarHBondContact CA-O 3.39Å; F278-V286 HydrophobicContact CE1-CB 4.02Å; F278-V286 HydrophobicContact CE1-CG1 4.08Å; F278-V286 HydrophobicContact CE2-CB 4.25Å; F278-V286 HydrophobicContact CZ-CB 3.85Å; F278-V286 HydrophobicContact CZ-CG1 4Å; F278-V286 PolarHBondContact N-O 2.83Å; F278-V286 PolarHBondContact O-N 2.74Å; N280-V286 HydrophobicContact CB-CG2 4.26Å |
| 287 | M | 76.2 | Confident | 70.8 | Confident | 68 Ų | 68 | 68.6 Ų | 68.6 | 34% | 0.335 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.2 | 175.9 | -68.7 | -70.8 | -73.6 | 0 | 0 | 110.6 | N115 P145 K275 F276 S277 | N115-M287 VanDerWaalsContact ND2-CG 3.29Å; N115-M287 WeakPolarHBondContact ND2-CG 3.5Å; P145-M287 HydrophobicContact CG-CE 3.31Å; P145-M287 HydrophobicContact CG-SD 4.17Å; K275-M287 HydrophobicContact CB-CE 3.64Å; K275-M287 HydrophobicContact CD-CE 4.35Å; F276-M287 CarbonylContact O-C 3.55Å; F276-M287 WeakPolarHBondContact O-CA 3.29Å; S277-M287 VanDerWaalsContact CA-SD 3.52Å; S277-M287 WeakPolarHBondContact CB-SD 3.07Å |
| 288 | E | 77.8 | Confident | 70.5 | Confident | 78 Ų | 78 | 72.4 Ų | 72.4 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 143.2 | 174 | -168.9 | 179.8 | 175.1 | 0 | 0 | 109.7 | R218 K275 F276 F278 | R218-E288 VanDerWaalsContact NH1-CD 3.28Å; R218-E288 IonicContact NH1-OE1 3.11Å; R218-E288 PolarHBondContact NH1-OE1 3.29Å; R218-E288 IonicContact NH1-OE2 2.94Å; R218-E288 PolarHBondContact NH1-OE2 3.2Å; K275-E288 WeakPolarHBondContact CA-O 3.47Å; F276-E288 PolarHBondContact N-O 2.94Å; F276-E288 PolarHBondContact O-N 2.94Å; F278-E288 HydrophobicContact CE1-CB 4.05Å |
| 289 | T | 76.1 | Confident | 70.1 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 47% | 0.472 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 111.8 | 173.8 | -52.8 | 0 | 0 | 0 | 0 | 108.8 | K273 E274 | K273-T289 HydrophobicContact CB-CG2 3.86Å; K273-T289 HydrophobicContact CD-CG2 4.49Å; K273-T289 HydrophobicContact CG-CG2 4.42Å; E274-T289 CarbonylContact O-C 3.57Å; E274-T289 WeakPolarHBondContact O-CA 3.28Å |
| 290 | V | 71.8 | Confident | 69.9 | Low | 44 Ų | 44 | 72.1 Ų | 72.1 | 27% | 0.267 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 135.6 | 178.5 | -173 | 0 | 0 | 0 | 0 | 108.7 | E274 F276 | E274-V290 PolarHBondContact N-O 2.66Å; E274-V290 PolarHBondContact O-N 2.83Å; F276-V290 HydrophobicContact CB-CG2 4.29Å; F276-V290 HydrophobicContact CD2-CB 3.63Å; F276-V290 HydrophobicContact CD2-CG2 3.61Å; F276-V290 HydrophobicContact CE2-CB 3.93Å; F276-V290 HydrophobicContact CE2-CG2 4.35Å; F276-V290 HydrophobicContact CG-CG2 4.25Å |
| 291 | T | 70.4 | Confident | 69.7 | Low | 79 Ų | 79 | 71.9 Ų | 71.9 | 49% | 0.485 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 110.9 | 173.9 | -55.1 | 0 | 0 | 0 | 0 | 108.4 | C271 S272 | C271-T291 HydrophobicContact CB-CG2 3.9Å; S272-T291 CarbonylContact O-C 3.58Å; S272-T291 WeakPolarHBondContact O-CA 3.39Å |
| 292 | M | 64.7 | Low | 69.8 | Low | 91 Ų | 91 | 74.2 Ų | 74.2 | 45% | 0.448 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 124.1 | 176.7 | -56 | -173.3 | 87.1 | 0 | 0 | 108.9 | C271 S272 E274 F276 | C271-M292 CarbonylContact C-O 3.57Å; C271-M292 WeakPolarHBondContact CA-O 3.07Å; S272-M292 PolarHBondContact N-O 3.17Å; S272-M292 PolarHBondContact O-N 3.12Å; E274-M292 HydrophobicContact CB-SD 4.42Å; E274-M292 HydrophobicContact CG-SD 4.46Å; F276-M292 HydrophobicContact CE2-CG 4.23Å; F276-M292 HydrophobicContact CE2-SD 3.78Å; F276-M292 HydrophobicContact CZ-CE 4.12Å; F276-M292 HydrophobicContact CZ-SD 3.56Å; F276-M292 VanDerWaalsContact CZ-SD 3.56Å |
| 293 | C | 58 | Low | 69.8 | Low | 61 Ų | 61 | 69.7 Ų | 69.7 | 41% | 0.412 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129.4 | 176.9 | -61 | 0 | 0 | 0 | 0 | 108.9 | C271 | C271-C293 HydrophobicContact CB-CB 4.14Å; C271-C293 WeakPolarHBondContact CB-SG 3.47Å; C271-C293 WeakPolarHBondContact SG-CB 3.2Å; C271-C293 CovalentContact SG-SG 2.04Å; C271-C293 PolarHBondContact SG-SG 3.36Å |
| 294 | A | 56.2 | Low | 70.1 | Confident | 148 Ų | 148 | 67.4 Ų | 67.4 | 100% | 1.223 | 42% | 0.42 | S | S | * | . | trans | -75.1 | 0 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 |
Retrieved 294 of 294 residues in 479 ms
(Link to these results)