| 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 | 39.6 | Very low | 45.2 | Very low | 253 Ų | 253 | 148.4 Ų | 148.4 | 100% | 1.246 | 84% | 0.841 | S | S | * | * | 0 | 108.5 | 0 | -69.6 | -160.9 | -118 | 0 | 0 | 107.4 | |||||
| 2 | A | 36 | Very low | 44.9 | Very low | 91 Ų | 91 | 142.3 Ų | 142.3 | 75% | 0.752 | 84% | 0.835 | S | S | * | * | trans | -108.6 | 112.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | L4 | A2-L4 PolarHBondContact O-N 3.11Š| ||
| 3 | E | 35.7 | Very low | 44.9 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 86% | 0.864 | 85% | 0.846 | S | S | * | * | trans | -72.7 | 110.8 | 163 | -88.5 | -177.3 | 96.6 | 0 | 0 | 107.2 | ||||
| 4 | L | 48 | Very low | 44.9 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 77% | 0.77 | 85% | 0.849 | S | S | * | * | trans | -99.9 | 99.4 | 164.6 | -72.5 | 173.2 | 0 | 0 | 0 | 107.5 | A2 L6 | A2-L4 PolarHBondContact O-N 3.11Å; L4-L6 PolarHBondContact O-N 3.13Å | ||
| 5 | Q | 37.3 | Very low | 44.8 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 75% | 0.748 | 85% | 0.845 | S | S | * | * | trans | -73.5 | 103.8 | 167 | -164.5 | 77.1 | 26.4 | 0 | 0 | 107.5 | ||||
| 6 | L | 48 | Very low | 44.8 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 80% | 0.801 | 85% | 0.848 | S | S | * | * | trans | -99.7 | 113.6 | 173.9 | -89.5 | 146.1 | 0 | 0 | 0 | 109.4 | L4 | L4-L6 PolarHBondContact O-N 3.13Š| ||
| 7 | D | 49.1 | Very low | 44.6 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 71% | 0.711 | 85% | 0.851 | S | S | * | * | trans | -70.7 | 135.4 | 177.1 | -78.2 | -48.1 | 0 | 0 | 0 | 111.9 | A9 | D7-A9 PolarHBondContact O-N 2.96Š| ||
| 8 | P | 53.9 | Low | 44.6 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 84% | 0.838 | 85% | 0.851 | S | S | * | * | S | Bend | trans | -79.3 | 26.2 | -175.5 | 30.5 | -34.6 | 0 | 0 | 0 | 115.4 | M10 | P8-M10 PolarHBondContact O-N 2.83Š|
| 9 | A | 50.2 | Low | 44.7 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 74% | 0.736 | 86% | 0.856 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 16.1 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | D7 | D7-A9 PolarHBondContact O-N 2.96Š|
| 10 | M | 49.3 | Very low | 44.7 | Very low | 189 Ų | 189 | 126 Ų | 126 | 93% | 0.931 | 85% | 0.85 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.3 | 12 | -172 | -86.2 | -68.6 | -131.9 | 0 | 0 | 117.1 | P8 | P8-M10 PolarHBondContact O-N 2.83Š|
| 11 | A | 50.8 | Low | 45.3 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 85% | 0.851 | 85% | 0.852 | S | S | * | * | trans | -111.4 | 100.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 12 | G | 40.7 | Very low | 45.7 | Very low | 75 Ų | 75 | 118.3 Ų | 118.3 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | 152.5 | 67.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 13 | L | 45.3 | Very low | 46.6 | Very low | 186 Ų | 186 | 121.6 Ų | 121.6 | 97% | 0.974 | 83% | 0.833 | S | S | * | * | trans | -117.5 | 126.6 | 161.6 | -76.8 | 171 | 0 | 0 | 0 | 109.3 | ||||
| 14 | G | 44.3 | Very low | 47.1 | Very low | 87 Ų | 87 | 116.2 Ų | 116.2 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | trans | 113.3 | 126.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 15 | G | 44.2 | Very low | 47.1 | Very low | 76 Ų | 76 | 112.8 Ų | 112.8 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | cis | 163.9 | 151.2 | 3.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 16 | G | 44.6 | Very low | 47.8 | Very low | 86 Ų | 86 | 108.7 Ų | 108.7 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | trans | 71.5 | 127.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 17 | G | 42.2 | Very low | 48.3 | Very low | 88 Ų | 88 | 107.6 Ų | 107.6 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | cis | 108.9 | 110.3 | 39.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 18 | G | 44.3 | Very low | 48.7 | Very low | 83 Ų | 83 | 108.6 Ų | 108.6 | 86% | 0.856 | 84% | 0.841 | S | S | * | * | trans | 166.7 | 88.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 19 | S | 45.4 | Very low | 48.7 | Very low | 133 Ų | 133 | 114.1 Ų | 114.1 | 93% | 0.93 | 85% | 0.846 | S | S | * | * | trans | -79.8 | 146.6 | 175.3 | -49.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 20 | G | 45.7 | Very low | 49 | Very low | 73 Ų | 73 | 113 Ų | 113 | 75% | 0.753 | 84% | 0.842 | S | S | * | * | trans | 126 | 107.8 | 148.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 21 | V | 57 | Low | 49.9 | Very low | 145 Ų | 145 | 110.1 Ų | 110.1 | 88% | 0.879 | 84% | 0.838 | S | S | * | * | trans | -148.6 | 116.1 | 138.8 | -169.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 22 | G | 46.9 | Very low | 50.3 | Low | 74 Ų | 74 | 111.3 Ų | 111.3 | 76% | 0.763 | 84% | 0.837 | S | S | * | * | trans | -89.3 | 142.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 23 | D | 55.1 | Low | 51.5 | Low | 159 Ų | 159 | 113.2 Ų | 113.2 | 85% | 0.85 | 84% | 0.838 | S | S | * | * | trans | -148.7 | 125.5 | 156.6 | -167.3 | 61.5 | 0 | 0 | 0 | 108.9 | ||||
| 24 | G | 46.6 | Very low | 52.2 | Low | 73 Ų | 73 | 110.4 Ų | 110.4 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | trans | -113.3 | 135.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 25 | G | 48.6 | Very low | 52.8 | Low | 75 Ų | 75 | 118 Ų | 118 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | trans | -174.3 | 73.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 26 | G | 51.4 | Low | 53.7 | Low | 73 Ų | 73 | 120.7 Ų | 120.7 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | trans | 76.6 | 137.5 | 138.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 27 | P | 59 | Low | 54.1 | Low | 130 Ų | 130 | 121.5 Ų | 121.5 | 84% | 0.844 | 84% | 0.835 | S | S | * | * | trans | -105 | 128.8 | 154.3 | 33.4 | -22.4 | 0 | 0 | 0 | 110.8 | ||||
| 28 | V | 58.3 | Low | 54.8 | Low | 155 Ų | 155 | 121 Ų | 121 | 94% | 0.939 | 83% | 0.829 | S | S | * | * | trans | -83.8 | 117.3 | 171.7 | -156.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 29 | R | 53.6 | Low | 55.7 | Low | 245 Ų | 245 | 122.7 Ų | 122.7 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | trans | -104.8 | 106.1 | -178.7 | -150.1 | 175.3 | -174.3 | -111.6 | 3 | 108.9 | ||||
| 30 | G | 55.2 | Low | 56.5 | Low | 65 Ų | 65 | 122.6 Ų | 122.6 | 67% | 0.67 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 152.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 31 | P | 67.7 | Low | 56.8 | Low | 128 Ų | 128 | 125.1 Ų | 125.1 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 148.9 | 173.5 | 35.3 | -30 | 0 | 0 | 0 | 111.9 | ||
| 32 | P | 60.3 | Low | 56.6 | Low | 128 Ų | 128 | 129.9 Ų | 129.9 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 152.6 | 175.6 | 35.2 | -30.9 | 0 | 0 | 0 | 112.9 | ||
| 33 | S | 64.8 | Low | 56.4 | Low | 116 Ų | 116 | 129.2 Ų | 129.2 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 152.2 | 177 | -42.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 34 | P | 60.1 | Low | 56.3 | Low | 127 Ų | 127 | 131 Ų | 131 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 142.9 | 175.7 | 34.7 | -29.4 | 0 | 0 | 0 | 112.7 | ||
| 35 | R | 56.9 | Low | 56.1 | Low | 247 Ų | 247 | 130.7 Ų | 130.7 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | trans | -112.5 | 139.3 | 160.8 | -75.7 | -179 | 174.7 | -131 | 0.7 | 108.7 | ||||
| 36 | P | 64.3 | Low | 56.3 | Low | 132 Ų | 132 | 138.9 Ų | 138.9 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | trans | -94.4 | 140.1 | 168 | 32.7 | -26.7 | 0 | 0 | 0 | 112 | ||||
| 37 | A | 53.6 | Low | 56.3 | Low | 103 Ų | 103 | 141 Ų | 141 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | -84.2 | 144 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 38 | G | 56.5 | Low | 55.6 | Low | 76 Ų | 76 | 139.4 Ų | 139.4 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | trans | -108.9 | 137.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 39 | P | 62.7 | Low | 55 | Low | 119 Ų | 119 | 136.6 Ų | 136.6 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -101.1 | 131.3 | 176.4 | 34.3 | -27 | 0 | 0 | 0 | 113.5 | ||||
| 40 | T | 61.1 | Low | 54.6 | Low | 131 Ų | 131 | 129.2 Ų | 129.2 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 23.3 | 145.1 | 141.4 | 55.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 41 | P | 51.9 | Low | 54 | Low | 127 Ų | 127 | 132.9 Ų | 132.9 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -88.6 | 155.3 | 177.4 | 37.8 | -33.4 | 0 | 0 | 0 | 113.1 | ||||
| 42 | R | 53.6 | Low | 53.1 | Low | 244 Ų | 244 | 131 Ų | 131 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -115.1 | 118.2 | 169.2 | -106.1 | -175.9 | 169.8 | -178.4 | -2.6 | 110.1 | ||||
| 43 | G | 43.2 | Very low | 52.2 | Low | 61 Ų | 61 | 134 Ų | 134 | 63% | 0.629 | 82% | 0.816 | S | S | * | * | trans | -91.5 | 151.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 44 | H | 52.7 | Low | 51.3 | Low | 195 Ų | 195 | 134 Ų | 134 | 90% | 0.903 | 81% | 0.813 | S | S | * | * | trans | -174.1 | 124.3 | 152.7 | -74.5 | -35.8 | 0 | 0 | 0 | 102.7 | ||||
| 45 | G | 43.5 | Very low | 50.9 | Low | 68 Ų | 68 | 135.5 Ų | 135.5 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | cis | 128.6 | 125.7 | 33.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 46 | R | 52.3 | Low | 50.5 | Low | 247 Ų | 247 | 131.6 Ų | 131.6 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | trans | 166.6 | 148 | 132.1 | -89.5 | 174 | 77.2 | -166.6 | 3.1 | 112.1 | ||||
| 47 | P | 50.7 | Low | 49.8 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -102.8 | 167 | -170.8 | 40.2 | -32.6 | 0 | 0 | 0 | 112.6 | ||||
| 48 | A | 44.9 | Very low | 50 | Low | 96 Ų | 96 | 129 Ų | 129 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | 159.6 | 147.4 | 122.6 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 49 | A | 45.1 | Very low | 49.9 | Very low | 95 Ų | 95 | 132 Ų | 132 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | 88.8 | 104.4 | 147.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 50 | A | 44.4 | Very low | 49.4 | Very low | 90 Ų | 90 | 129.2 Ų | 129.2 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | 88.8 | 118.8 | 113.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 51 | V | 43.8 | Very low | 49.4 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | 85.1 | 104.5 | 136.8 | 176.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 52 | A | 47.8 | Very low | 49.7 | Very low | 90 Ų | 90 | 128.4 Ų | 128.4 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | 155.9 | 118.3 | 113.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 53 | Q | 43.2 | Very low | 49.2 | Very low | 191 Ų | 191 | 125.5 Ų | 125.5 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | -82 | 150.9 | 168.4 | -61.3 | -179.4 | 31.9 | 0 | 0 | 110.1 | ||||
| 54 | P | 45.2 | Very low | 49.3 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | -140.8 | 130.9 | 124.2 | 16.1 | 6.1 | 0 | 0 | 0 | 115.6 | |||||
| 55 | L | 51.7 | Low | 48.8 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | 34.1 | 109.8 | 146.7 | -80.5 | 86.4 | 0 | 0 | 0 | 121.7 | ||||
| 56 | E | 48.4 | Very low | 48.3 | Very low | 166 Ų | 166 | 129.6 Ų | 129.6 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | 38.4 | 136.1 | 128.8 | -60.9 | -66.5 | 113.9 | 0 | 0 | 121.3 | |||||
| 57 | P | 49.4 | Very low | 47.6 | Very low | 131 Ų | 131 | 120.4 Ų | 120.4 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | -143.6 | 125.9 | 86.2 | 32.8 | -14.3 | 0 | 0 | 0 | 116.2 | |||||
| 58 | G | 57 | Low | 47.2 | Very low | 49 Ų | 49 | 118.1 Ų | 118.1 | 51% | 0.505 | 77% | 0.771 | S | S | . | * | trans | 55.8 | 132.4 | 135.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | G60 | G58-G60 PolarHBondContact O-N 3.45Š| ||
| 59 | P | 54.4 | Low | 47.2 | Very low | 140 Ų | 140 | 115.9 Ų | 115.9 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | trans | -75.7 | 98.2 | 174.3 | 32 | -29.9 | 0 | 0 | 0 | 109.8 | ||||
| 60 | G | 53.6 | Low | 47.6 | Very low | 59 Ų | 59 | 115.4 Ų | 115.4 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | trans | -63.4 | 154.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G58 | G58-G60 PolarHBondContact O-N 3.45Š| ||
| 61 | P | 61.6 | Low | 48.6 | Very low | 119 Ų | 119 | 113.5 Ų | 113.5 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | -61.4 | 158.1 | 177.6 | -1.8 | 15.8 | 0 | 0 | 0 | 110.1 | E63 | P61-E63 PolarHBondContact O-N 2.82Š| ||
| 62 | P | 56.8 | Low | 50.7 | Low | 122 Ų | 122 | 112.5 Ų | 112.5 | 79% | 0.792 | 72% | 0.718 | S | S | * | * | trans | -56.2 | 114.7 | -175.5 | 24.4 | -33.4 | 0 | 0 | 0 | 109.5 | R64 | P62-R64 VanDerWaalsContact C-N 3.32Å; P62-R64 PolarHBondContact O-N 2.66Å | ||
| 63 | E | 43.3 | Very low | 52.7 | Low | 183 Ų | 183 | 114.7 Ų | 114.7 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | trans | -57.3 | 100.9 | 170.6 | -167.3 | 165.7 | 123.6 | 0 | 0 | 106.7 | P61 A65 | P61-E63 PolarHBondContact O-N 2.82Å; E63-A65 PolarHBondContact O-N 2.87Å | ||
| 64 | R | 45.1 | Very low | 55 | Low | 247 Ų | 247 | 105.8 Ų | 105.8 | 93% | 0.932 | 67% | 0.666 | S | S | * | * | trans | -60.8 | 82.2 | 168 | -96.4 | -180 | 166.7 | 175.5 | -3.1 | 107 | P62 G66 | P62-R64 VanDerWaalsContact C-N 3.32Å; P62-R64 PolarHBondContact O-N 2.66Å; R64-G66 VanDerWaalsContact C-N 3.32Å; R64-G66 PolarHBondContact O-N 3.15Å | ||
| 65 | A | 42.2 | Very low | 57.2 | Low | 87 Ų | 87 | 104.9 Ų | 104.9 | 72% | 0.719 | 65% | 0.647 | S | S | * | * | trans | -65.2 | 93.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | E63 G67 | E63-A65 PolarHBondContact O-N 2.87Å; A65-G67 PolarHBondContact O-N 3Å | ||
| 66 | G | 33.2 | Very low | 59.2 | Low | 76 Ų | 76 | 97.4 Ų | 97.4 | 78% | 0.784 | 61% | 0.608 | S | S | * | * | trans | 62 | 18.9 | 139 | 0 | 0 | 0 | 0 | 0 | 120.7 | R64 G68 | R64-G66 VanDerWaalsContact C-N 3.32Å; R64-G66 PolarHBondContact O-N 3.15Å; G66-G68 VanDerWaalsContact C-N 3.32Å; G66-G68 PolarHBondContact O-N 2.86Å | ||
| 67 | G | 37.8 | Very low | 61.5 | Low | 54 Ų | 54 | 90.4 Ų | 90.4 | 56% | 0.557 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 13.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | A65 A71 | A65-G67 PolarHBondContact O-N 3Å; G67-A71 WeakPolarHBondContact O-CB 3.37Å |
| 68 | G | 42 | Very low | 63.7 | Low | 71 Ų | 71 | 84.2 Ų | 84.2 | 73% | 0.732 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -29.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | G66 | G66-G68 VanDerWaalsContact C-N 3.32Å; G66-G68 PolarHBondContact O-N 2.86Å |
| 69 | G | 45.1 | Very low | 65.4 | Low | 48 Ų | 48 | 84.1 Ų | 84.1 | 50% | 0.495 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -40.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A71 R72 | G69-A71 VanDerWaalsContact C-N 3.3Å; G69-A71 PolarHBondContact O-N 3.35Å; G69-R72 PolarHBondContact O-N 3.36Å |
| 70 | A | 53 | Low | 67.3 | Low | 85 Ų | 85 | 80.1 Ų | 80.1 | 70% | 0.702 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -28.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R72 | A70-R72 PolarHBondContact O-N 3.36Š|
| 71 | A | 66.3 | Low | 69.4 | Low | 51 Ų | 51 | 80.3 Ų | 80.3 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -23 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G67 G69 R87 | G67-A71 WeakPolarHBondContact O-CB 3.37Å; G69-A71 VanDerWaalsContact C-N 3.3Å; G69-A71 PolarHBondContact O-N 3.35Å; A71-R87 WeakPolarHBondContact O-CD 3.36Å; A71-R87 PolarHBondContact O-NE 2.87Å |
| 72 | R | 87.2 | Confident | 71 | Confident | 121 Ų | 121 | 80 Ų | 80 | 46% | 0.457 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -42.2 | -176.8 | -166.9 | -174.9 | 105.9 | 108.5 | -2.5 | 112.9 | G69 A70 T86 R87 | G69-R72 PolarHBondContact O-N 3.36Å; A70-R72 PolarHBondContact O-N 3.36Å; R72-T86 CarbonylContact O-C 3.52Å; R72-T86 VanDerWaalsContact O-CA 3.27Å; R72-T86 WeakPolarHBondContact O-CA 3.42Å; R72-R87 PolarHBondContact O-N 2.8Å |
| 73 | W | 90.3 | Very high | 72.9 | Confident | 136 Ų | 136 | 76 Ų | 76 | 52% | 0.515 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 142.4 | -175.6 | -67.2 | 98.9 | 0 | 0 | 0 | 110.8 | V84 T85 T86 | W73-V84 HydrophobicContact CE3-CG1 3.97Å; W73-V84 HydrophobicContact CZ3-CG1 4.5Å; W73-T85 CarbonylContact C-O 3.58Å; W73-T85 WeakPolarHBondContact CA-O 3.45Å; W73-T86 HydrophobicContact CD2-CG2 4.12Å; W73-T86 HydrophobicContact CE3-CG2 3.77Å; W73-T86 HydrophobicContact CH2-CG2 4.15Å; W73-T86 HydrophobicContact CZ2-CG2 4.47Å; W73-T86 HydrophobicContact CZ3-CG2 3.79Å |
| 74 | V | 90.7 | Very high | 75.4 | Confident | 4 Ų | 4 | 70.7 Ų | 70.7 | 2% | 0.024 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135.2 | -179.1 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | L76 T85 R87 L90 Y119 | V74-L76 HydrophobicContact CG1-CD2 3.91Å; V74-L76 HydrophobicContact CG1-CG 4.46Å; V74-T85 HydrophobicContact CB-CG2 4.39Å; V74-T85 PolarHBondContact N-O 3.14Å; V74-T85 PolarHBondContact O-N 2.75Å; V74-R87 HydrophobicContact CG2-CB 4.33Å; V74-R87 HydrophobicContact CG2-CG 3.28Å; V74-L90 HydrophobicContact CB-CD1 4.21Å; V74-L90 HydrophobicContact CG1-CD1 3.92Å; V74-L90 HydrophobicContact CG2-CD1 4.39Å; V74-Y119 HydrophobicContact CG1-CD2 3.62Å; V74-Y119 HydrophobicContact CG1-CE2 3.65Å |
| 75 | R | 92.8 | Very high | 77.7 | Confident | 97 Ų | 97 | 59 Ų | 59 | 37% | 0.366 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 132.3 | 173.4 | -62 | 176.4 | 62.1 | -159.2 | -6.8 | 108.3 | F83 V84 T116 A118 Y119 | R75-F83 WeakPolarHBondContact CA-O 3.44Å; R75-V84 HydrophobicContact CG-CG2 4.32Å; R75-T116 PolarHBondContact NH1-O 2.84Å; R75-T116 VanDerWaalsContact NH1-O 3.15Å; R75-T116 PolarHBondContact NH1-OG1 3.13Å; R75-T116 VanDerWaalsContact NH1-OG1 3.08Å; R75-T116 PolarHBondContact NH2-OG1 3.28Å; R75-A118 HydrophobicContact CB-CB 3.59Å; R75-A118 CarbonylContact O-C 3.43Å; R75-A118 VanDerWaalsContact O-CA 3.27Å; R75-A118 WeakPolarHBondContact O-CA 3.44Å; R75-Y119 PolarHBondContact O-N 2.88Å |
| 76 | L | 94.2 | Very high | 80.1 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 138.4 | 174.9 | -53.8 | 175.9 | 0 | 0 | 0 | 107.3 | V74 V78 Y82 F83 T85 L90 L98 L101 Y119 I121 F128 | V74-L76 HydrophobicContact CG1-CD2 3.91Å; V74-L76 HydrophobicContact CG1-CG 4.46Å; L76-V78 HydrophobicContact CB-CG2 4.28Å; L76-Y82 CarbonylContact O-C 3.52Å; L76-Y82 VanDerWaalsContact O-CA 3.32Å; L76-Y82 WeakPolarHBondContact O-CA 3.39Å; L76-F83 HydrophobicContact CB-CB 4.34Å; L76-F83 PolarHBondContact N-O 2.83Å; L76-F83 PolarHBondContact O-N 3.38Å; L76-T85 HydrophobicContact CD1-CG2 4.32Å; L76-L90 HydrophobicContact CD1-CD2 4.19Å; L76-L90 HydrophobicContact CD2-CD1 4.39Å; L76-L98 HydrophobicContact CD1-CD2 4.43Å; L76-L101 HydrophobicContact CD2-CD1 4.15Å; L76-Y119 CarbonylContact C-O 3.58Å; L76-Y119 WeakPolarHBondContact CA-O 3.49Å; L76-Y119 HydrophobicContact CD2-CD2 4.09Å; L76-Y119 HydrophobicContact CD2-CG 4.37Å; L76-I121 HydrophobicContact CD2-CD1 4.38Å; L76-F128 HydrophobicContact CD1-CE1 4.02Å; L76-F128 HydrophobicContact CD1-CZ 3.7Å |
| 77 | N | 94.9 | Very high | 82.8 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 10% | 0.102 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 98.5 | 172.6 | -177.3 | -10.4 | 0 | 0 | 0 | 107.3 | G80 Y82 A118 Y119 L120 I121 | N77-G80 VanDerWaalsContact OD1-C 3.29Å; N77-G80 WeakPolarHBondContact OD1-CA 3.44Å; N77-G80 PolarHBondContact OD1-N 3.23Å; N77-G80 VanDerWaalsContact OD1-N 3.13Å; N77-Y82 HydrophobicContact CB-CD1 4.18Å; N77-Y82 HydrophobicContact CB-CE1 4.04Å; N77-Y82 PolarHBondContact ND2-OH 3.04Å; N77-A118 HydrophobicContact CB-CB 4.23Å; N77-Y119 PolarHBondContact N-O 2.71Å; N77-L120 HydrophobicContact CB-CD2 3.7Å; N77-I121 PolarHBondContact O-N 2.93Å |
| 78 | V | 95.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 108.4 | -175.6 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | L76 G80 T81 F83 I121 R123 P125 F128 | L76-V78 HydrophobicContact CB-CG2 4.28Å; V78-G80 PolarHBondContact O-N 2.84Å; V78-T81 PolarHBondContact N-O 2.85Å; V78-T81 PolarHBondContact O-N 2.76Å; V78-F83 HydrophobicContact CB-CD2 4.06Å; V78-F83 HydrophobicContact CB-CE2 3.97Å; V78-F83 HydrophobicContact CG2-CD2 3.8Å; V78-F83 HydrophobicContact CG2-CE2 4.15Å; V78-I121 CarbonylContact C-O 3.53Å; V78-I121 WeakPolarHBondContact CA-O 3.14Å; V78-I121 HydrophobicContact CG1-CG2 4.35Å; V78-I121 HydrophobicContact CG2-CB 4.23Å; V78-I121 HydrophobicContact CG2-CD1 4.15Å; V78-R123 HydrophobicContact CG1-CB 4.2Å; V78-P125 HydrophobicContact CB-CB 4.43Å; V78-P125 HydrophobicContact CG1-CB 4.41Å; V78-P125 WeakPolarHBondContact O-CB 3.48Å; V78-F128 HydrophobicContact CG1-CB 4.23Å; V78-F128 HydrophobicContact CG1-CG 4.28Å; V78-F128 HydrophobicContact CG2-CD1 3.85Å; V78-F128 HydrophobicContact CG2-CD2 4.41Å; V78-F128 HydrophobicContact CG2-CE1 3.91Å; V78-F128 HydrophobicContact CG2-CE2 4.48Å; V78-F128 HydrophobicContact CG2-CG 4.1Å; V78-F128 HydrophobicContact CG2-CZ 4.24Å |
| 79 | G | 94.1 | Very high | 87.9 | Confident | 47 Ų | 47 | 56.9 Ų | 56.9 | 49% | 0.485 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 31.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | I121 R123 | G79-I121 PolarHBondContact N-O 3.32Å; G79-R123 VanDerWaalsContact CA-O 3.25Å; G79-R123 WeakPolarHBondContact CA-O 3.45Å; G79-R123 PolarHBondContact N-O 3.25Å |
| 80 | G | 94.1 | Very high | 90.1 | Very high | 56 Ų | 56 | 54.6 Ų | 54.6 | 58% | 0.577 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.1 | -4.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | N77 V78 | N77-G80 VanDerWaalsContact OD1-C 3.29Å; N77-G80 WeakPolarHBondContact OD1-CA 3.44Å; N77-G80 PolarHBondContact OD1-N 3.23Å; N77-G80 VanDerWaalsContact OD1-N 3.13Å; V78-G80 PolarHBondContact O-N 2.84Å |
| 81 | T | 97 | Very high | 91.9 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 39% | 0.387 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 127.8 | 176.4 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | V78 F83 P125 | V78-T81 PolarHBondContact N-O 2.85Å; V78-T81 PolarHBondContact O-N 2.76Å; T81-F83 HydrophobicContact CG2-CD2 4.34Å; T81-F83 HydrophobicContact CG2-CE2 3.67Å; T81-F83 HydrophobicContact CG2-CZ 3.97Å; T81-F83 WeakPolarHBondContact O-CD2 3.4Å; T81-P125 VanDerWaalsContact CB-CB 3.5Å; T81-P125 HydrophobicContact CG2-CB 4.21Å; T81-P125 WeakPolarHBondContact OG1-CB 3.38Å; T81-P125 WeakPolarHBondContact OG1-CG 3.36Å |
| 82 | Y | 96.2 | Very high | 93 | Very high | 113 Ų | 113 | 56 Ų | 56 | 44% | 0.443 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 126.3 | -179.5 | -68.9 | -90.7 | 0 | 0 | 0 | 112.3 | L76 N77 D114 A118 | L76-Y82 CarbonylContact O-C 3.52Å; L76-Y82 VanDerWaalsContact O-CA 3.32Å; L76-Y82 WeakPolarHBondContact O-CA 3.39Å; N77-Y82 HydrophobicContact CB-CD1 4.18Å; N77-Y82 HydrophobicContact CB-CE1 4.04Å; N77-Y82 PolarHBondContact ND2-OH 3.04Å; Y82-D114 VanDerWaalsContact CE1-OD2 3.28Å; Y82-D114 WeakPolarHBondContact CE1-OD2 3.36Å; Y82-D114 PolarHBondContact OH-OD2 3.36Å; Y82-A118 HydrophobicContact CD1-CB 4.17Å; Y82-A118 HydrophobicContact CE1-CB 3.99Å |
| 83 | F | 96.2 | Very high | 93.1 | Very high | 39 Ų | 39 | 52.3 Ų | 52.3 | 17% | 0.171 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 137.7 | 170.2 | -65 | -93.5 | 0 | 0 | 0 | 110 | R75 L76 V78 T81 P125 F128 L132 | R75-F83 WeakPolarHBondContact CA-O 3.44Å; L76-F83 HydrophobicContact CB-CB 4.34Å; L76-F83 PolarHBondContact N-O 2.83Å; L76-F83 PolarHBondContact O-N 3.38Å; V78-F83 HydrophobicContact CB-CD2 4.06Å; V78-F83 HydrophobicContact CB-CE2 3.97Å; V78-F83 HydrophobicContact CG2-CD2 3.8Å; V78-F83 HydrophobicContact CG2-CE2 4.15Å; T81-F83 HydrophobicContact CG2-CD2 4.34Å; T81-F83 HydrophobicContact CG2-CE2 3.67Å; T81-F83 HydrophobicContact CG2-CZ 3.97Å; T81-F83 WeakPolarHBondContact O-CD2 3.4Å; F83-P125 HydrophobicContact CE2-CB 3.92Å; F83-P125 HydrophobicContact CZ-CB 4.22Å; F83-F128 HydrophobicContact CB-CD1 4.47Å; F83-F128 HydrophobicContact CB-CE1 4.08Å; F83-F128 AromaticContact CD1-CD1 3.87Å; F83-F128 HydrophobicContact CD1-CD1 3.87Å; F83-F128 HydrophobicContact CD1-CE1 4.21Å; F83-F128 AromaticContact CD2-CD1 3.67Å; F83-F128 HydrophobicContact CD2-CD1 3.67Å; F83-F128 HydrophobicContact CD2-CE1 4.03Å; F83-F128 AromaticContact CE1-CD1 3.94Å; F83-F128 HydrophobicContact CE1-CD1 3.94Å; F83-F128 HydrophobicContact CE2-CB 4.47Å; F83-F128 AromaticContact CE2-CD1 3.75Å; F83-F128 HydrophobicContact CE2-CD1 3.75Å; F83-F128 AromaticContact CG-CD1 3.74Å; F83-F128 HydrophobicContact CG-CD1 3.74Å; F83-F128 AromaticContact CG-CE1 3.84Å; F83-F128 HydrophobicContact CG-CE1 3.84Å; F83-F128 HydrophobicContact CZ-CB 4.33Å; F83-F128 AromaticContact CZ-CD1 3.88Å; F83-F128 HydrophobicContact CZ-CD1 3.88Å; F83-L132 HydrophobicContact CB-CD2 4.16Å; F83-L132 HydrophobicContact CD1-CD2 3.94Å; F83-L132 HydrophobicContact CG-CD2 4.42Å |
| 84 | V | 94.8 | Very high | 92.9 | Very high | 70 Ų | 70 | 50.4 Ų | 50.4 | 42% | 0.424 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 130.1 | 177.5 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | W73 R75 R136 | W73-V84 HydrophobicContact CE3-CG1 3.97Å; W73-V84 HydrophobicContact CZ3-CG1 4.5Å; R75-V84 HydrophobicContact CG-CG2 4.32Å; V84-R136 PolarHBondContact O-NH2 3.48Å |
| 85 | T | 94.5 | Very high | 92.7 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | -174.6 | -177.7 | -166.5 | 0 | 0 | 0 | 0 | 110.8 | W73 V74 L76 T89 L90 L132 | W73-T85 CarbonylContact C-O 3.58Å; W73-T85 WeakPolarHBondContact CA-O 3.45Å; V74-T85 HydrophobicContact CB-CG2 4.39Å; V74-T85 PolarHBondContact N-O 3.14Å; V74-T85 PolarHBondContact O-N 2.75Å; L76-T85 HydrophobicContact CD1-CG2 4.32Å; T85-T89 WeakPolarHBondContact OG1-CB 3.47Å; T85-T89 WeakPolarHBondContact OG1-CG2 3.26Å; T85-L90 HydrophobicContact CG2-CD1 4.01Å; T85-L90 HydrophobicContact CG2-CD2 3.79Å; T85-L90 HydrophobicContact CG2-CG 3.85Å; T85-L132 HydrophobicContact CG2-CD1 4.24Å |
| 86 | T | 92.7 | Very high | 92.5 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 153.5 | 177.2 | 69.3 | 0 | 0 | 0 | 0 | 111 | R72 W73 Q88 T89 L90 | R72-T86 CarbonylContact O-C 3.52Å; R72-T86 VanDerWaalsContact O-CA 3.27Å; R72-T86 WeakPolarHBondContact O-CA 3.42Å; W73-T86 HydrophobicContact CD2-CG2 4.12Å; W73-T86 HydrophobicContact CE3-CG2 3.77Å; W73-T86 HydrophobicContact CH2-CG2 4.15Å; W73-T86 HydrophobicContact CZ2-CG2 4.47Å; W73-T86 HydrophobicContact CZ3-CG2 3.79Å; T86-Q88 PolarHBondContact O-N 2.82Å; T86-T89 WeakPolarHBondContact O-CB 3.29Å; T86-T89 PolarHBondContact O-N 3.29Å; T86-T89 PolarHBondContact OG1-N 3.02Å; T86-T89 PolarHBondContact OG1-OG1 3.21Å; T86-L90 PolarHBondContact O-N 3.4Å |
| 87 | R | 90.4 | Very high | 92.2 | Very high | 65 Ų | 65 | 55.2 Ų | 55.2 | 25% | 0.245 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.2 | -38.1 | 173.2 | -68.8 | -173.3 | -163.4 | -116.7 | 1.6 | 112.1 | A71 R72 V74 T89 L90 G91 C102 | A71-R87 WeakPolarHBondContact O-CD 3.36Å; A71-R87 PolarHBondContact O-NE 2.87Å; R72-R87 PolarHBondContact O-N 2.8Å; V74-R87 HydrophobicContact CG2-CB 4.33Å; V74-R87 HydrophobicContact CG2-CG 3.28Å; R87-T89 VanDerWaalsContact C-N 3.27Å; R87-T89 PolarHBondContact O-N 3.38Å; R87-L90 PolarHBondContact O-N 2.95Å; R87-G91 PolarHBondContact O-N 2.87Å; R87-C102 HydrophobicContact CB-CB 4.27Å; R87-C102 HydrophobicContact CG-CB 4.38Å |
| 88 | Q | 91 | Very high | 91.9 | Very high | 148 Ų | 148 | 54.3 Ų | 54.3 | 69% | 0.692 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -58.8 | -37.7 | 176.7 | -173.3 | -177.5 | 8.8 | 0 | 0 | 112.7 | T86 | T86-Q88 PolarHBondContact O-N 2.82Å |
| 89 | T | 93.8 | Very high | 91.5 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 12% | 0.117 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.3 | -43.6 | 177.2 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | T85 T86 R87 G91 R92 L132 L135 R136 | T85-T89 WeakPolarHBondContact OG1-CB 3.47Å; T85-T89 WeakPolarHBondContact OG1-CG2 3.26Å; T86-T89 WeakPolarHBondContact O-CB 3.29Å; T86-T89 PolarHBondContact O-N 3.29Å; T86-T89 PolarHBondContact OG1-N 3.02Å; T86-T89 PolarHBondContact OG1-OG1 3.21Å; R87-T89 VanDerWaalsContact C-N 3.27Å; R87-T89 PolarHBondContact O-N 3.38Å; T89-G91 VanDerWaalsContact C-N 3.32Å; T89-R92 PolarHBondContact O-N 3.17Å; T89-L132 HydrophobicContact CG2-CD1 4.36Å; T89-L135 HydrophobicContact CG2-CB 3.79Å; T89-R136 HydrophobicContact CG2-CB 4.48Å; T89-R136 HydrophobicContact CG2-CG 3.67Å |
| 90 | L | 92.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.2 | -30.3 | -179.7 | -58.8 | 180 | 0 | 0 | 0 | 112.4 | V74 L76 T85 T86 R87 R92 L98 C99 C102 | V74-L90 HydrophobicContact CB-CD1 4.21Å; V74-L90 HydrophobicContact CG1-CD1 3.92Å; V74-L90 HydrophobicContact CG2-CD1 4.39Å; L76-L90 HydrophobicContact CD1-CD2 4.19Å; L76-L90 HydrophobicContact CD2-CD1 4.39Å; T85-L90 HydrophobicContact CG2-CD1 4.01Å; T85-L90 HydrophobicContact CG2-CD2 3.79Å; T85-L90 HydrophobicContact CG2-CG 3.85Å; T86-L90 PolarHBondContact O-N 3.4Å; R87-L90 PolarHBondContact O-N 2.95Å; L90-R92 VanDerWaalsContact C-N 3.25Å; L90-R92 PolarHBondContact O-N 2.99Å; L90-L98 HydrophobicContact CB-CB 4.41Å; L90-L98 HydrophobicContact CD2-CB 4.04Å; L90-L98 HydrophobicContact CD2-CD1 4.2Å; L90-L98 HydrophobicContact CD2-CD2 4.41Å; L90-L98 HydrophobicContact CD2-CG 4.45Å; L90-C99 WeakPolarHBondContact O-CA 3.13Å; L90-C99 PolarHBondContact O-N 3.27Å; L90-C102 HydrophobicContact CB-CB 4.01Å |
| 91 | G | 90.1 | Very high | 90.3 | Very high | 33 Ų | 33 | 56 Ų | 56 | 34% | 0.34 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 7.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | R87 T89 | R87-G91 PolarHBondContact O-N 2.87Å; T89-G91 VanDerWaalsContact C-N 3.32Å |
| 92 | R | 90.9 | Very high | 89.2 | Confident | 134 Ų | 134 | 53.9 Ų | 53.9 | 51% | 0.506 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -34.8 | 178.7 | -82.3 | -146.4 | -175 | 167.9 | 2.9 | 113.8 | T89 L90 L135 R136 | T89-R92 PolarHBondContact O-N 3.17Å; L90-R92 VanDerWaalsContact C-N 3.25Å; L90-R92 PolarHBondContact O-N 2.99Å; R92-L135 HydrophobicContact CB-CD2 4.22Å; R92-L135 WeakPolarHBondContact CD-O 3.25Å; R92-L135 PolarHBondContact NE-O 3.38Å; R92-L135 PolarHBondContact NH1-O 3.02Å; R92-R136 VanDerWaalsContact CZ-O 3.3Å; R92-R136 PolarHBondContact NH1-O 3.4Å; R92-R136 PolarHBondContact NH2-O 3.49Å |
| 93 | E | 89.2 | Confident | 87.9 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -116.6 | 99.3 | -179.6 | -174.9 | 65.3 | -107.8 | 0 | 0 | 108.2 | K95 S96 C99 L135 I160 S162 | E93-K95 PolarHBondContact O-N 2.73Å; E93-K95 VanDerWaalsContact O-N 3.14Å; E93-S96 VanDerWaalsContact O-CB 3.28Å; E93-S96 WeakPolarHBondContact O-CB 3.26Å; E93-S96 PolarHBondContact O-N 2.81Å; E93-S96 PolarHBondContact O-OG 3.24Å; E93-C99 VanDerWaalsContact O-CB 3.26Å; E93-C99 WeakPolarHBondContact O-CB 3.42Å; E93-L135 HydrophobicContact CB-CD2 4.4Å; E93-I160 HydrophobicContact CG-CG1 4.46Å; E93-I160 HydrophobicContact CG-CG2 4.18Å; E93-S162 PolarHBondContact OE2-OG 3.47Å |
| 94 | P | 85.8 | Confident | 86.3 | Confident | 96 Ų | 96 | 55.8 Ų | 55.8 | 62% | 0.623 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.4 | -170.2 | 24.8 | -34.2 | 0 | 0 | 0 | 113.4 | S96 | P94-S96 VanDerWaalsContact C-N 3.34Š|
| 95 | K | 85.8 | Confident | 84.2 | Confident | 159 Ų | 159 | 60.6 Ų | 60.6 | 69% | 0.691 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -8.5 | 177.2 | -63.5 | -177.4 | 179.7 | 178.4 | 0 | 113.5 | E93 N159 | E93-K95 PolarHBondContact O-N 2.73Å; E93-K95 VanDerWaalsContact O-N 3.14Å; K95-N159 PolarHBondContact O-ND2 3.44Å |
| 96 | S | 88.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -74.4 | 149.4 | -175.9 | 70.3 | 0 | 0 | 0 | 0 | 111.9 | E93 P94 L98 C99 Y158 | E93-S96 VanDerWaalsContact O-CB 3.28Å; E93-S96 WeakPolarHBondContact O-CB 3.26Å; E93-S96 PolarHBondContact O-N 2.81Å; E93-S96 PolarHBondContact O-OG 3.24Å; P94-S96 VanDerWaalsContact C-N 3.34Å; S96-L98 PolarHBondContact O-N 2.88Å; S96-C99 PolarHBondContact O-N 2.81Å; S96-C99 PolarHBondContact OG-N 2.86Å; S96-C99 VanDerWaalsContact OG-N 3.11Å; S96-Y158 CarbonylContact C-O 3.57Å; S96-Y158 WeakPolarHBondContact CA-O 3.41Å; S96-Y158 VanDerWaalsContact CB-O 3.23Å; S96-Y158 WeakPolarHBondContact CB-O 3.27Å |
| 97 | F | 88.1 | Confident | 80.3 | Confident | 43 Ų | 43 | 68.8 Ų | 68.8 | 19% | 0.189 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -53.8 | -38.9 | 169.7 | 173 | -98.5 | 0 | 0 | 0 | 111.4 | C99 R100 L101 I121 Y158 | F97-C99 VanDerWaalsContact C-N 3.34Å; F97-C99 PolarHBondContact O-N 2.75Å; F97-R100 WeakPolarHBondContact O-CB 3.34Å; F97-R100 PolarHBondContact O-N 3.27Å; F97-R100 VanDerWaalsContact O-N 3.13Å; F97-L101 HydrophobicContact CD1-CD1 4.33Å; F97-L101 HydrophobicContact CE1-CD1 3.89Å; F97-L101 HydrophobicContact CE1-CD2 4.31Å; F97-L101 HydrophobicContact CE1-CG 4.18Å; F97-L101 HydrophobicContact CZ-CD2 4.25Å; F97-L101 PolarHBondContact O-N 3.45Å; F97-I121 HydrophobicContact CE1-CD1 4.43Å; F97-I121 HydrophobicContact CE1-CG1 4.47Å; F97-Y158 HydrophobicContact CD1-CD1 4.13Å; F97-Y158 HydrophobicContact CD1-CE1 4.44Å; F97-Y158 PolarHBondContact N-O 3.39Å |
| 98 | L | 89.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.3 | -33.1 | -179.3 | -66.4 | 177.7 | 0 | 0 | 0 | 113.4 | L76 L90 S96 R100 L101 C102 I121 F128 L135 Y158 | L76-L98 HydrophobicContact CD1-CD2 4.43Å; L90-L98 HydrophobicContact CB-CB 4.41Å; L90-L98 HydrophobicContact CD2-CB 4.04Å; L90-L98 HydrophobicContact CD2-CD1 4.2Å; L90-L98 HydrophobicContact CD2-CD2 4.41Å; L90-L98 HydrophobicContact CD2-CG 4.45Å; S96-L98 PolarHBondContact O-N 2.88Å; L98-R100 VanDerWaalsContact C-N 3.32Å; L98-L101 HydrophobicContact CD2-CD1 3.96Å; L98-L101 WeakPolarHBondContact O-CB 3.41Å; L98-L101 PolarHBondContact O-N 3.22Å; L98-C102 PolarHBondContact O-N 3.41Å; L98-I121 HydrophobicContact CD2-CD1 4.14Å; L98-F128 HydrophobicContact CD1-CE2 4.17Å; L98-F128 HydrophobicContact CD1-CZ 4.39Å; L98-F128 HydrophobicContact CD2-CE2 4.43Å; L98-F128 HydrophobicContact CD2-CZ 4.49Å; L98-L135 HydrophobicContact CD1-CD1 3.56Å; L98-Y158 HydrophobicContact CD1-CD1 4.18Å; L98-Y158 HydrophobicContact CD1-CG 4.31Å; L98-Y158 HydrophobicContact CD2-CD1 4.01Å; L98-Y158 HydrophobicContact CD2-CE1 4.18Å; L98-Y158 HydrophobicContact CG-CD1 3.85Å; L98-Y158 HydrophobicContact CG-CE1 4.49Å; L98-Y158 HydrophobicContact CG-CG 4.37Å |
| 99 | C | 86.1 | Confident | 76.6 | Confident | 12 Ų | 12 | 69.1 Ų | 69.1 | 8% | 0.081 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 174 | -172.6 | 0 | 0 | 0 | 0 | 111.1 | L90 E93 S96 F97 L101 C102 C103 | L90-C99 WeakPolarHBondContact O-CA 3.13Å; L90-C99 PolarHBondContact O-N 3.27Å; E93-C99 VanDerWaalsContact O-CB 3.26Å; E93-C99 WeakPolarHBondContact O-CB 3.42Å; S96-C99 PolarHBondContact O-N 2.81Å; S96-C99 PolarHBondContact OG-N 2.86Å; S96-C99 VanDerWaalsContact OG-N 3.11Å; F97-C99 VanDerWaalsContact C-N 3.34Å; F97-C99 PolarHBondContact O-N 2.75Å; C99-L101 VanDerWaalsContact C-N 3.29Å; C99-L101 PolarHBondContact O-N 3.03Å; C99-C102 PolarHBondContact O-N 2.78Å; C99-C102 PolarHBondContact O-SG 3.02Å; C99-C103 PolarHBondContact O-N 2.54Å; C99-C103 VanDerWaalsContact O-N 3.09Å; C99-C103 PolarHBondContact O-SG 3.38Å; C99-C103 VanDerWaalsContact O-SG 3.37Å |
| 100 | R | 83.5 | Confident | 74.8 | Confident | 121 Ų | 121 | 75.3 Ų | 75.3 | 46% | 0.457 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.6 | -38.3 | 177.5 | -62.3 | -170.6 | -79.5 | 164.9 | -8.2 | 112.1 | F97 L98 C102 C103 L109 | F97-R100 WeakPolarHBondContact O-CB 3.34Å; F97-R100 PolarHBondContact O-N 3.27Å; F97-R100 VanDerWaalsContact O-N 3.13Å; L98-R100 VanDerWaalsContact C-N 3.32Å; R100-C102 PolarHBondContact O-N 2.76Å; R100-C103 PolarHBondContact O-N 3.18Å; R100-L109 HydrophobicContact CB-CD1 3.47Å; R100-L109 VanDerWaalsContact CB-CD1 3.47Å; R100-L109 HydrophobicContact CG-CD1 4.41Å |
| 101 | L | 80.3 | Confident | 73.4 | Confident | 6 Ų | 6 | 76.8 Ų | 76.8 | 3% | 0.031 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59 | -36 | 173 | -61.8 | 176 | 0 | 0 | 0 | 112.5 | L76 F97 L98 C99 S111 Y119 I121 | L76-L101 HydrophobicContact CD2-CD1 4.15Å; F97-L101 HydrophobicContact CD1-CD1 4.33Å; F97-L101 HydrophobicContact CE1-CD1 3.89Å; F97-L101 HydrophobicContact CE1-CD2 4.31Å; F97-L101 HydrophobicContact CE1-CG 4.18Å; F97-L101 HydrophobicContact CZ-CD2 4.25Å; F97-L101 PolarHBondContact O-N 3.45Å; L98-L101 HydrophobicContact CD2-CD1 3.96Å; L98-L101 WeakPolarHBondContact O-CB 3.41Å; L98-L101 PolarHBondContact O-N 3.22Å; C99-L101 VanDerWaalsContact C-N 3.29Å; C99-L101 PolarHBondContact O-N 3.03Å; L101-S111 WeakPolarHBondContact CD2-OG 3.3Å; L101-Y119 HydrophobicContact CB-CD1 4.49Å; L101-Y119 HydrophobicContact CB-CE1 4.39Å; L101-Y119 HydrophobicContact CD2-CD1 3.79Å; L101-Y119 HydrophobicContact CD2-CE1 4.18Å; L101-Y119 HydrophobicContact CD2-CG 4.34Å; L101-Y119 PolarHBondContact O-OH 3.11Å; L101-Y119 VanDerWaalsContact O-OH 3.05Å; L101-I121 HydrophobicContact CD1-CD1 4.16Å |
| 102 | C | 74.8 | Confident | 73 | Confident | 19 Ų | 19 | 80.7 Ų | 80.7 | 13% | 0.128 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -80.1 | -31.1 | -175.5 | 91.5 | 0 | 0 | 0 | 0 | 113.2 | R87 L90 L98 C99 R100 | R87-C102 HydrophobicContact CB-CB 4.27Å; R87-C102 HydrophobicContact CG-CB 4.38Å; L90-C102 HydrophobicContact CB-CB 4.01Å; L98-C102 PolarHBondContact O-N 3.41Å; C99-C102 PolarHBondContact O-N 2.78Å; C99-C102 PolarHBondContact O-SG 3.02Å; R100-C102 PolarHBondContact O-N 2.76Å |
| 103 | C | 67.5 | Low | 72.8 | Confident | 63 Ų | 63 | 79.2 Ų | 79.2 | 43% | 0.426 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -76.8 | -21.3 | -174.2 | -69.8 | 0 | 0 | 0 | 0 | 114 | C99 R100 E105 | C99-C103 PolarHBondContact O-N 2.54Å; C99-C103 VanDerWaalsContact O-N 3.09Å; C99-C103 PolarHBondContact O-SG 3.38Å; C99-C103 VanDerWaalsContact O-SG 3.37Å; R100-C103 PolarHBondContact O-N 3.18Å; C103-E105 WeakPolarHBondContact O-CG 3.42Å; C103-E105 PolarHBondContact O-N 3.37Å |
| 104 | Q | 62.6 | Low | 72.8 | Confident | 128 Ų | 128 | 78.7 Ų | 78.7 | 60% | 0.598 | 40% | 0.402 | S | S | * | . | trans | 51.2 | 2 | -179.7 | -73.8 | -168.5 | -95.6 | 0 | 0 | 116.6 | D106 | Q104-D106 VanDerWaalsContact C-N 3.32Š| ||
| 105 | E | 51.9 | Low | 73 | Confident | 171 Ų | 171 | 83.9 Ų | 83.9 | 80% | 0.799 | 42% | 0.418 | S | S | * | . | trans | -84.7 | -5.4 | -175.4 | -79.8 | 175.9 | 164.2 | 0 | 0 | 113.3 | C103 P107 | C103-E105 WeakPolarHBondContact O-CG 3.42Å; C103-E105 PolarHBondContact O-N 3.37Å; E105-P107 WeakPolarHBondContact O-CD 3.31Å | ||
| 106 | D | 52.9 | Low | 73.1 | Confident | 67 Ų | 67 | 79.4 Ų | 79.4 | 36% | 0.358 | 40% | 0.404 | S | S | . | . | trans | -105.2 | 95.8 | 178.6 | -150.4 | -21.5 | 0 | 0 | 0 | 110.6 | Q104 E108 L109 | Q104-D106 VanDerWaalsContact C-N 3.32Å; D106-E108 PolarHBondContact O-N 3.47Å; D106-E108 VanDerWaalsContact O-N 3.15Å; D106-E108 WeakPolarHBondContact OD1-CB 3.4Å; D106-E108 PolarHBondContact OD1-N 3.43Å; D106-L109 HydrophobicContact CB-CD1 4.3Å; D106-L109 HydrophobicContact CB-CG 4.39Å; D106-L109 PolarHBondContact O-N 3.23Å; D106-L109 VanDerWaalsContact O-N 3.08Å | ||
| 107 | P | 51.6 | Low | 73 | Confident | 118 Ų | 118 | 81.4 Ų | 81.4 | 77% | 0.766 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -7.5 | 174 | 24.5 | -31.5 | 0 | 0 | 0 | 113.4 | E105 L109 | E105-P107 WeakPolarHBondContact O-CD 3.31Å; P107-L109 VanDerWaalsContact C-N 3.33Å |
| 108 | E | 51 | Low | 73.1 | Confident | 174 Ų | 174 | 79.3 Ų | 79.3 | 81% | 0.813 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -15.4 | 171.1 | -64.5 | -170.6 | 159.1 | 0 | 0 | 113.2 | D106 D110 | D106-E108 PolarHBondContact O-N 3.47Å; D106-E108 VanDerWaalsContact O-N 3.15Å; D106-E108 WeakPolarHBondContact OD1-CB 3.4Å; D106-E108 PolarHBondContact OD1-N 3.43Å; E108-D110 PolarHBondContact O-N 3.43Å |
| 109 | L | 52.6 | Low | 73.2 | Confident | 47 Ų | 47 | 79.8 Ų | 79.8 | 25% | 0.246 | 42% | 0.417 | C | S | . | . | trans | -91.2 | 78.4 | 169.7 | -66.7 | 174.8 | 0 | 0 | 0 | 108.6 | R100 D106 P107 S111 | R100-L109 HydrophobicContact CB-CD1 3.47Å; R100-L109 VanDerWaalsContact CB-CD1 3.47Å; R100-L109 HydrophobicContact CG-CD1 4.41Å; D106-L109 HydrophobicContact CB-CD1 4.3Å; D106-L109 HydrophobicContact CB-CG 4.39Å; D106-L109 PolarHBondContact O-N 3.23Å; D106-L109 VanDerWaalsContact O-N 3.08Å; P107-L109 VanDerWaalsContact C-N 3.33Å; L109-S111 PolarHBondContact O-N 3.18Å; L109-S111 PolarHBondContact O-OG 3.41Å | ||
| 110 | D | 55.4 | Low | 73.5 | Confident | 148 Ų | 148 | 82.9 Ų | 82.9 | 79% | 0.791 | 43% | 0.433 | S | S | * | . | trans | -60.1 | 68.2 | 150.8 | -89 | -21.8 | 0 | 0 | 0 | 107.5 | E108 D112 | E108-D110 PolarHBondContact O-N 3.43Å; D110-D112 PolarHBondContact O-N 2.75Å | ||
| 111 | S | 64.7 | Low | 73.9 | Confident | 31 Ų | 31 | 77.6 Ų | 77.6 | 22% | 0.217 | 41% | 0.413 | C | S | . | . | trans | -68.2 | 107.5 | 178.3 | -53.6 | 0 | 0 | 0 | 0 | 104.9 | L101 L109 K113 | L101-S111 WeakPolarHBondContact CD2-OG 3.3Å; L109-S111 PolarHBondContact O-N 3.18Å; L109-S111 PolarHBondContact O-OG 3.41Å; S111-K113 PolarHBondContact O-N 3.33Å; S111-K113 VanDerWaalsContact O-N 3.09Å | ||
| 112 | D | 80.5 | Confident | 74.6 | Confident | 115 Ų | 115 | 84.9 Ų | 84.9 | 62% | 0.615 | 45% | 0.452 | S | S | * | . | trans | -51.6 | 122.4 | -179.7 | -68.4 | -47.8 | 0 | 0 | 0 | 108.2 | D110 L120 | D110-D112 PolarHBondContact O-N 2.75Å; D112-L120 HydrophobicContact CB-CB 4Å; D112-L120 HydrophobicContact CB-CD1 3.86Å; D112-L120 HydrophobicContact CB-CG 4.16Å; D112-L120 WeakPolarHBondContact O-CB 3.29Å; D112-L120 WeakPolarHBondContact O-CG 3.48Å; D112-L120 PolarHBondContact O-N 3.37Å | ||
| 113 | K | 87.5 | Confident | 75.6 | Confident | 104 Ų | 104 | 87.6 Ų | 87.6 | 45% | 0.452 | 46% | 0.46 | S | S | . | . | B | Isolated β-bridge | trans | -112.3 | 137.1 | 175 | -75.9 | 170.8 | -176 | 170.8 | 0 | 108.1 | S111 A118 Y119 | S111-K113 PolarHBondContact O-N 3.33Å; S111-K113 VanDerWaalsContact O-N 3.09Å; K113-A118 VanDerWaalsContact CA-O 3.26Å; K113-A118 WeakPolarHBondContact CA-O 3.15Å; K113-Y119 HydrophobicContact CD-CE1 4.46Å; K113-Y119 VanDerWaalsContact CE-CZ 3.41Å; K113-Y119 HydrophobicContact CG-CD1 4.18Å |
| 114 | D | 88.4 | Confident | 76.8 | Confident | 30 Ų | 30 | 87.9 Ų | 87.9 | 16% | 0.16 | 46% | 0.457 | C | S | . | . | trans | -71.2 | 173.4 | 168.4 | 62.1 | 30.1 | 0 | 0 | 0 | 111.8 | Y82 T116 G117 A118 L120 | Y82-D114 VanDerWaalsContact CE1-OD2 3.28Å; Y82-D114 WeakPolarHBondContact CE1-OD2 3.36Å; Y82-D114 PolarHBondContact OH-OD2 3.36Å; D114-T116 PolarHBondContact O-N 3.37Å; D114-T116 VanDerWaalsContact OD1-C 3.32Å; D114-T116 VanDerWaalsContact OD1-CA 3.24Å; D114-T116 WeakPolarHBondContact OD1-CA 3.38Å; D114-T116 VanDerWaalsContact OD1-CB 3.29Å; D114-T116 WeakPolarHBondContact OD1-CB 3.23Å; D114-T116 PolarHBondContact OD1-N 2.78Å; D114-T116 PolarHBondContact OD1-OG1 3.3Å; D114-T116 PolarHBondContact OD2-OG1 2.92Å; D114-G117 PolarHBondContact O-N 2.89Å; D114-G117 PolarHBondContact OD1-N 2.92Å; D114-A118 PolarHBondContact N-O 2.65Å; D114-A118 PolarHBondContact OD1-N 2.85Å; D114-A118 WeakPolarHBondContact OD2-CB 3.35Å; D114-L120 HydrophobicContact CB-CD2 3.96Å | ||
| 115 | E | 89.4 | Confident | 78.4 | Confident | 205 Ų | 205 | 83.1 Ų | 83.1 | 96% | 0.958 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -20.9 | 175.3 | -58 | 177.4 | 174.9 | 0 | 0 | 113.1 | ||
| 116 | T | 88.3 | Confident | 80.6 | Confident | 66 Ų | 66 | 79 Ų | 79 | 41% | 0.405 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -2 | -178.5 | 86.7 | 0 | 0 | 0 | 0 | 113.4 | R75 D114 | R75-T116 PolarHBondContact NH1-O 2.84Å; R75-T116 VanDerWaalsContact NH1-O 3.15Å; R75-T116 PolarHBondContact NH1-OG1 3.13Å; R75-T116 VanDerWaalsContact NH1-OG1 3.08Å; R75-T116 PolarHBondContact NH2-OG1 3.28Å; D114-T116 PolarHBondContact O-N 3.37Å; D114-T116 VanDerWaalsContact OD1-C 3.32Å; D114-T116 VanDerWaalsContact OD1-CA 3.24Å; D114-T116 WeakPolarHBondContact OD1-CA 3.38Å; D114-T116 VanDerWaalsContact OD1-CB 3.29Å; D114-T116 WeakPolarHBondContact OD1-CB 3.23Å; D114-T116 PolarHBondContact OD1-N 2.78Å; D114-T116 PolarHBondContact OD1-OG1 3.3Å; D114-T116 PolarHBondContact OD2-OG1 2.92Å |
| 117 | G | 86.3 | Confident | 82.6 | Confident | 41 Ų | 41 | 78.5 Ų | 78.5 | 42% | 0.423 | 42% | 0.418 | S | S | . | . | trans | 80 | 13.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D114 | D114-G117 PolarHBondContact O-N 2.89Å; D114-G117 PolarHBondContact OD1-N 2.92Å | ||
| 118 | A | 90.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 137 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | R75 N77 Y82 K113 D114 L120 | R75-A118 HydrophobicContact CB-CB 3.59Å; R75-A118 CarbonylContact O-C 3.43Å; R75-A118 VanDerWaalsContact O-CA 3.27Å; R75-A118 WeakPolarHBondContact O-CA 3.44Å; N77-A118 HydrophobicContact CB-CB 4.23Å; Y82-A118 HydrophobicContact CD1-CB 4.17Å; Y82-A118 HydrophobicContact CE1-CB 3.99Å; K113-A118 VanDerWaalsContact CA-O 3.26Å; K113-A118 WeakPolarHBondContact CA-O 3.15Å; D114-A118 PolarHBondContact N-O 2.65Å; D114-A118 PolarHBondContact OD1-N 2.85Å; D114-A118 WeakPolarHBondContact OD2-CB 3.35Å; A118-L120 PolarHBondContact O-N 3.26Å |
| 119 | Y | 91.3 | Very high | 86.9 | Confident | 9 Ų | 9 | 65.6 Ų | 65.6 | 4% | 0.035 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 123.6 | 176 | -65.4 | -87.9 | 0 | 0 | 0 | 110.2 | V74 R75 L76 N77 L101 K113 | V74-Y119 HydrophobicContact CG1-CD2 3.62Å; V74-Y119 HydrophobicContact CG1-CE2 3.65Å; R75-Y119 PolarHBondContact O-N 2.88Å; L76-Y119 CarbonylContact C-O 3.58Å; L76-Y119 WeakPolarHBondContact CA-O 3.49Å; L76-Y119 HydrophobicContact CD2-CD2 4.09Å; L76-Y119 HydrophobicContact CD2-CG 4.37Å; N77-Y119 PolarHBondContact N-O 2.71Å; L101-Y119 HydrophobicContact CB-CD1 4.49Å; L101-Y119 HydrophobicContact CB-CE1 4.39Å; L101-Y119 HydrophobicContact CD2-CD1 3.79Å; L101-Y119 HydrophobicContact CD2-CE1 4.18Å; L101-Y119 HydrophobicContact CD2-CG 4.34Å; L101-Y119 PolarHBondContact O-OH 3.11Å; L101-Y119 VanDerWaalsContact O-OH 3.05Å; K113-Y119 HydrophobicContact CD-CE1 4.46Å; K113-Y119 VanDerWaalsContact CE-CZ 3.41Å; K113-Y119 HydrophobicContact CG-CD1 4.18Å |
| 120 | L | 92.1 | Very high | 89 | Confident | 77 Ų | 77 | 63.9 Ų | 63.9 | 40% | 0.403 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 131.7 | 178.5 | -57.2 | -174 | 0 | 0 | 0 | 110.1 | N77 D112 D114 A118 | N77-L120 HydrophobicContact CB-CD2 3.7Å; D112-L120 HydrophobicContact CB-CB 4Å; D112-L120 HydrophobicContact CB-CD1 3.86Å; D112-L120 HydrophobicContact CB-CG 4.16Å; D112-L120 WeakPolarHBondContact O-CB 3.29Å; D112-L120 WeakPolarHBondContact O-CG 3.48Å; D112-L120 PolarHBondContact O-N 3.37Å; D114-L120 HydrophobicContact CB-CD2 3.96Å; A118-L120 PolarHBondContact O-N 3.26Å |
| 121 | I | 93.1 | Very high | 91 | Very high | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.051 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 115.4 | 178 | -58.9 | 178 | 0 | 0 | 0 | 107.4 | L76 N77 V78 G79 F97 L98 L101 R123 Y158 | L76-I121 HydrophobicContact CD2-CD1 4.38Å; N77-I121 PolarHBondContact O-N 2.93Å; V78-I121 CarbonylContact C-O 3.53Å; V78-I121 WeakPolarHBondContact CA-O 3.14Å; V78-I121 HydrophobicContact CG1-CG2 4.35Å; V78-I121 HydrophobicContact CG2-CB 4.23Å; V78-I121 HydrophobicContact CG2-CD1 4.15Å; G79-I121 PolarHBondContact N-O 3.32Å; F97-I121 HydrophobicContact CE1-CD1 4.43Å; F97-I121 HydrophobicContact CE1-CG1 4.47Å; L98-I121 HydrophobicContact CD2-CD1 4.14Å; L101-I121 HydrophobicContact CD1-CD1 4.16Å; I121-R123 HydrophobicContact CG2-CB 3.96Å; I121-R123 HydrophobicContact CG2-CG 3.77Å; I121-R123 PolarHBondContact O-N 2.97Å; I121-Y158 HydrophobicContact CG2-CE1 4.25Å |
| 122 | D | 94.5 | Very high | 92.5 | Very high | 159 Ų | 159 | 55.5 Ų | 55.5 | 85% | 0.85 | 30% | 0.297 | S | S | * | . | trans | -82 | 68 | 178.3 | -170.1 | 25.7 | 0 | 0 | 0 | 111.1 | ||||
| 123 | R | 95.2 | Very high | 93.3 | Very high | 77 Ų | 77 | 52.5 Ų | 52.5 | 29% | 0.291 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -141.1 | 165.9 | 178.6 | -64.2 | -60.6 | -66 | -174.9 | -4.8 | 111.1 | V78 G79 I121 P125 E154 F157 | V78-R123 HydrophobicContact CG1-CB 4.2Å; G79-R123 VanDerWaalsContact CA-O 3.25Å; G79-R123 WeakPolarHBondContact CA-O 3.45Å; G79-R123 PolarHBondContact N-O 3.25Å; I121-R123 HydrophobicContact CG2-CB 3.96Å; I121-R123 HydrophobicContact CG2-CG 3.77Å; I121-R123 PolarHBondContact O-N 2.97Å; R123-P125 WeakPolarHBondContact O-CD 3.43Å; R123-E154 IonicContact CZ-OE1 3.63Å; R123-E154 IonicContact NE-OE1 3.17Å; R123-E154 PolarHBondContact NE-OE1 3.12Å; R123-E154 IonicContact NE-OE2 2.68Å; R123-E154 IonicContact NH2-OE1 2.9Å; R123-E154 PolarHBondContact NH2-OE1 3.39Å; R123-F157 HydrophobicContact CG-CD1 3.85Å; R123-F157 HydrophobicContact CG-CE1 3.51Å; R123-F157 HydrophobicContact CG-CE2 4.45Å; R123-F157 HydrophobicContact CG-CG 4.46Å; R123-F157 HydrophobicContact CG-CZ 3.84Å |
| 124 | D | 94 | Very high | 93.7 | Very high | 68 Ų | 68 | 49.1 Ų | 49.1 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | trans | -72.8 | 119 | -179.8 | -170.7 | -20.5 | 0 | 0 | 0 | 111.2 | T126 Y127 | D124-T126 PolarHBondContact O-N 2.84Å; D124-T126 WeakPolarHBondContact OD1-CB 3.21Å; D124-T126 PolarHBondContact OD1-N 3.39Å; D124-T126 PolarHBondContact OD1-OG1 3.3Å; D124-Y127 HydrophobicContact CB-CD2 4.18Å | ||
| 125 | P | 96.3 | Very high | 94 | Very high | 28 Ų | 28 | 47.8 Ų | 47.8 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.2 | -21.1 | 178.3 | 26.2 | -34.2 | 0 | 0 | 0 | 114.2 | V78 T81 F83 R123 Y127 F128 | V78-P125 HydrophobicContact CB-CB 4.43Å; V78-P125 HydrophobicContact CG1-CB 4.41Å; V78-P125 WeakPolarHBondContact O-CB 3.48Å; T81-P125 VanDerWaalsContact CB-CB 3.5Å; T81-P125 HydrophobicContact CG2-CB 4.21Å; T81-P125 WeakPolarHBondContact OG1-CB 3.38Å; T81-P125 WeakPolarHBondContact OG1-CG 3.36Å; F83-P125 HydrophobicContact CE2-CB 3.92Å; F83-P125 HydrophobicContact CZ-CB 4.22Å; R123-P125 WeakPolarHBondContact O-CD 3.43Å; P125-Y127 VanDerWaalsContact C-N 3.31Å; P125-Y127 PolarHBondContact O-N 3.45Å; P125-F128 PolarHBondContact O-N 3.29Å |
| 126 | T | 96.5 | Very high | 94.3 | Very high | 86 Ų | 86 | 43.1 Ų | 43.1 | 53% | 0.528 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.7 | -40.2 | -174.9 | -50.7 | 0 | 0 | 0 | 0 | 111.5 | D124 L146 | D124-T126 PolarHBondContact O-N 2.84Å; D124-T126 WeakPolarHBondContact OD1-CB 3.21Å; D124-T126 PolarHBondContact OD1-N 3.39Å; D124-T126 PolarHBondContact OD1-OG1 3.3Å; T126-L146 HydrophobicContact CG2-CD1 3.64Å |
| 127 | Y | 96.6 | Very high | 94.6 | Very high | 56 Ų | 56 | 43.8 Ų | 43.8 | 22% | 0.22 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -92.2 | -9.7 | -179 | -61.1 | -73.3 | 0 | 0 | 0 | 113.4 | D124 P125 P130 L146 A147 V151 E154 | D124-Y127 HydrophobicContact CB-CD2 4.18Å; P125-Y127 VanDerWaalsContact C-N 3.31Å; P125-Y127 PolarHBondContact O-N 3.45Å; Y127-P130 WeakPolarHBondContact O-CD 3.39Å; Y127-L146 HydrophobicContact CD1-CD1 3.58Å; Y127-L146 HydrophobicContact CD1-CD2 4.2Å; Y127-L146 HydrophobicContact CD1-CG 3.79Å; Y127-L146 HydrophobicContact CE1-CD1 3.53Å; Y127-L146 HydrophobicContact CE1-CG 3.88Å; Y127-L146 HydrophobicContact CG-CD1 4.43Å; Y127-A147 HydrophobicContact CE1-CB 4.2Å; Y127-A147 WeakPolarHBondContact CE1-O 3.4Å; Y127-V151 HydrophobicContact CD1-CG2 3.92Å; Y127-E154 VanDerWaalsContact CB-CG 3.45Å; Y127-E154 HydrophobicContact CG-CG 4.45Å |
| 128 | F | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.1 | -30.5 | -177.5 | -172.4 | -111.5 | 0 | 0 | 0 | 113.5 | L76 V78 F83 L98 P125 I131 L132 Y158 | L76-F128 HydrophobicContact CD1-CE1 4.02Å; L76-F128 HydrophobicContact CD1-CZ 3.7Å; V78-F128 HydrophobicContact CG1-CB 4.23Å; V78-F128 HydrophobicContact CG1-CG 4.28Å; V78-F128 HydrophobicContact CG2-CD1 3.85Å; V78-F128 HydrophobicContact CG2-CD2 4.41Å; V78-F128 HydrophobicContact CG2-CE1 3.91Å; V78-F128 HydrophobicContact CG2-CE2 4.48Å; V78-F128 HydrophobicContact CG2-CG 4.1Å; V78-F128 HydrophobicContact CG2-CZ 4.24Å; F83-F128 HydrophobicContact CB-CD1 4.47Å; F83-F128 HydrophobicContact CB-CE1 4.08Å; F83-F128 AromaticContact CD1-CD1 3.87Å; F83-F128 HydrophobicContact CD1-CD1 3.87Å; F83-F128 HydrophobicContact CD1-CE1 4.21Å; F83-F128 AromaticContact CD2-CD1 3.67Å; F83-F128 HydrophobicContact CD2-CD1 3.67Å; F83-F128 HydrophobicContact CD2-CE1 4.03Å; F83-F128 AromaticContact CE1-CD1 3.94Å; F83-F128 HydrophobicContact CE1-CD1 3.94Å; F83-F128 HydrophobicContact CE2-CB 4.47Å; F83-F128 AromaticContact CE2-CD1 3.75Å; F83-F128 HydrophobicContact CE2-CD1 3.75Å; F83-F128 AromaticContact CG-CD1 3.74Å; F83-F128 HydrophobicContact CG-CD1 3.74Å; F83-F128 AromaticContact CG-CE1 3.84Å; F83-F128 HydrophobicContact CG-CE1 3.84Å; F83-F128 HydrophobicContact CZ-CB 4.33Å; F83-F128 AromaticContact CZ-CD1 3.88Å; F83-F128 HydrophobicContact CZ-CD1 3.88Å; L98-F128 HydrophobicContact CD1-CE2 4.17Å; L98-F128 HydrophobicContact CD1-CZ 4.39Å; L98-F128 HydrophobicContact CD2-CE2 4.43Å; L98-F128 HydrophobicContact CD2-CZ 4.49Å; P125-F128 PolarHBondContact O-N 3.29Å; F128-I131 HydrophobicContact CD2-CB 4.46Å; F128-I131 WeakPolarHBondContact O-CB 3.48Å; F128-I131 PolarHBondContact O-N 2.99Å; F128-I131 VanDerWaalsContact O-N 3.09Å; F128-L132 HydrophobicContact CD1-CB 4.4Å; F128-L132 HydrophobicContact CE1-CB 4.05Å; F128-L132 HydrophobicContact CE1-CD2 4.13Å; F128-L132 HydrophobicContact CZ-CB 4.41Å; F128-L132 PolarHBondContact O-N 3.06Å; F128-Y158 HydrophobicContact CD2-CD2 4.47Å; F128-Y158 HydrophobicContact CD2-CE1 4.4Å; F128-Y158 AromaticContact CD2-CE2 3.59Å; F128-Y158 HydrophobicContact CD2-CE2 3.59Å; F128-Y158 AromaticContact CD2-CZ 3.56Å; F128-Y158 WeakPolarHBondContact CD2-OH 3.38Å; F128-Y158 HydrophobicContact CE2-CD2 4.49Å; F128-Y158 HydrophobicContact CE2-CE1 4.05Å; F128-Y158 AromaticContact CE2-CE2 3.89Å; F128-Y158 HydrophobicContact CE2-CE2 3.89Å; F128-Y158 AromaticContact CE2-CZ 3.67Å |
| 129 | G | 96 | Very high | 95.2 | Very high | 20 Ų | 20 | 50.5 Ų | 50.5 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -52.1 | -54.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I131 L132 N133 | G129-I131 VanDerWaalsContact C-N 3.31Å; G129-I131 PolarHBondContact O-N 3.13Å; G129-L132 PolarHBondContact O-N 2.71Å; G129-N133 WeakPolarHBondContact O-CB 3.44Å; G129-N133 PolarHBondContact O-N 3.45Å; G129-N133 PolarHBondContact O-ND2 3.41Å |
| 130 | P | 96.4 | Very high | 95.4 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 7% | 0.071 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.8 | -40.7 | 173.7 | -28.7 | 34.4 | 0 | 0 | 0 | 114.3 | Y127 N133 Y134 I142 L146 V151 | Y127-P130 WeakPolarHBondContact O-CD 3.39Å; P130-N133 PolarHBondContact O-N 3.45Å; P130-Y134 WeakPolarHBondContact O-CB 3.49Å; P130-Y134 PolarHBondContact O-N 3Å; P130-I142 HydrophobicContact CB-CG1 4.49Å; P130-L146 HydrophobicContact CG-CD2 3.53Å; P130-V151 HydrophobicContact CB-CG1 4.03Å; P130-V151 HydrophobicContact CB-CG2 4.43Å; P130-V151 HydrophobicContact CG-CG2 4.13Å |
| 131 | I | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.6 | -49.8 | 178.9 | -49.1 | -55.4 | 0 | 0 | 0 | 110.5 | F128 G129 N133 Y134 L135 V151 E154 A155 Y158 I160 L163 | F128-I131 HydrophobicContact CD2-CB 4.46Å; F128-I131 WeakPolarHBondContact O-CB 3.48Å; F128-I131 PolarHBondContact O-N 2.99Å; F128-I131 VanDerWaalsContact O-N 3.09Å; G129-I131 VanDerWaalsContact C-N 3.31Å; G129-I131 PolarHBondContact O-N 3.13Å; I131-N133 VanDerWaalsContact C-N 3.33Å; I131-N133 PolarHBondContact O-N 3.1Å; I131-Y134 WeakPolarHBondContact O-CB 3.25Å; I131-Y134 PolarHBondContact O-N 3.4Å; I131-L135 PolarHBondContact O-N 3.12Å; I131-L135 VanDerWaalsContact O-N 3.1Å; I131-V151 HydrophobicContact CD1-CG1 3.96Å; I131-E154 HydrophobicContact CD1-CB 4.1Å; I131-E154 HydrophobicContact CG1-CB 4.01Å; I131-A155 HydrophobicContact CD1-CB 3.93Å; I131-Y158 HydrophobicContact CG1-CD2 4.28Å; I131-Y158 HydrophobicContact CG1-CE2 4.43Å; I131-Y158 HydrophobicContact CG2-CD2 3.87Å; I131-Y158 HydrophobicContact CG2-CG 4.5Å; I131-I160 HydrophobicContact CG2-CD1 3.48Å; I131-I160 VanDerWaalsContact CG2-CD1 3.48Å; I131-L163 HydrophobicContact CB-CD2 4.43Å; I131-L163 HydrophobicContact CD1-CD2 3.5Å; I131-L163 HydrophobicContact CG2-CD2 4.11Å |
| 132 | L | 96.5 | Very high | 95.6 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | -180 | -177.8 | 59.9 | 0 | 0 | 0 | 111.7 | F83 T85 T89 F128 G129 L135 R136 | F83-L132 HydrophobicContact CB-CD2 4.16Å; F83-L132 HydrophobicContact CD1-CD2 3.94Å; F83-L132 HydrophobicContact CG-CD2 4.42Å; T85-L132 HydrophobicContact CG2-CD1 4.24Å; T89-L132 HydrophobicContact CG2-CD1 4.36Å; F128-L132 HydrophobicContact CD1-CB 4.4Å; F128-L132 HydrophobicContact CE1-CB 4.05Å; F128-L132 HydrophobicContact CE1-CD2 4.13Å; F128-L132 HydrophobicContact CZ-CB 4.41Å; F128-L132 PolarHBondContact O-N 3.06Å; G129-L132 PolarHBondContact O-N 2.71Å; L132-L135 PolarHBondContact O-N 3.43Å; L132-R136 WeakPolarHBondContact O-CG 3.47Å; L132-R136 PolarHBondContact O-N 3.2Å |
| 133 | N | 96.5 | Very high | 95.5 | Very high | 53 Ų | 53 | 48.9 Ų | 48.9 | 28% | 0.283 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 176.8 | -78.9 | -20.8 | 0 | 0 | 0 | 111.9 | G129 P130 I131 L135 R136 H137 | G129-N133 WeakPolarHBondContact O-CB 3.44Å; G129-N133 PolarHBondContact O-N 3.45Å; G129-N133 PolarHBondContact O-ND2 3.41Å; P130-N133 PolarHBondContact O-N 3.45Å; I131-N133 VanDerWaalsContact C-N 3.33Å; I131-N133 PolarHBondContact O-N 3.1Å; N133-L135 VanDerWaalsContact C-N 3.29Å; N133-L135 PolarHBondContact O-N 2.92Å; N133-R136 PolarHBondContact O-N 3.06Å; N133-H137 WeakPolarHBondContact CB-NE2 3.4Å; N133-H137 PolarHBondContact O-CD2 2.86Å; N133-H137 VanDerWaalsContact O-CD2 3.24Å; N133-H137 PolarHBondContact O-CE1 3Å; N133-H137 PolarHBondContact O-N 3.33Å; N133-H137 PolarHBondContact O-ND1 3.13Å; N133-H137 PolarHBondContact O-NE2 3.24Å; N133-H137 VanDerWaalsContact O-NE2 3.16Å |
| 134 | Y | 96.9 | Very high | 95.2 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 13% | 0.125 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.7 | -44.9 | 171.1 | 179.8 | -101.8 | 0 | 0 | 0 | 111.6 | P130 I131 R136 G138 I160 S162 L163 L166 | P130-Y134 WeakPolarHBondContact O-CB 3.49Å; P130-Y134 PolarHBondContact O-N 3Å; I131-Y134 WeakPolarHBondContact O-CB 3.25Å; I131-Y134 PolarHBondContact O-N 3.4Å; Y134-R136 VanDerWaalsContact C-N 3.3Å; Y134-R136 PolarHBondContact O-N 3.01Å; Y134-G138 WeakPolarHBondContact O-CA 3.49Å; Y134-G138 PolarHBondContact O-N 2.93Å; Y134-I160 HydrophobicContact CD1-CG2 4.11Å; Y134-I160 HydrophobicContact CE1-CG2 3.8Å; Y134-S162 VanDerWaalsContact OH-CB 3.25Å; Y134-S162 WeakPolarHBondContact OH-CB 3.26Å; Y134-S162 PolarHBondContact OH-OG 2.94Å; Y134-S162 VanDerWaalsContact OH-OG 3.13Å; Y134-L163 HydrophobicContact CD1-CB 3.88Å; Y134-L163 HydrophobicContact CD1-CD1 4Å; Y134-L163 HydrophobicContact CD1-CD2 3.89Å; Y134-L163 HydrophobicContact CD1-CG 4.16Å; Y134-L163 HydrophobicContact CD2-CD1 3.64Å; Y134-L163 HydrophobicContact CE1-CB 3.78Å; Y134-L163 HydrophobicContact CE1-CD1 4.42Å; Y134-L163 HydrophobicContact CE2-CD1 4.09Å; Y134-L163 HydrophobicContact CG-CB 4.35Å; Y134-L163 HydrophobicContact CG-CD1 3.58Å; Y134-L163 HydrophobicContact CG-CD2 4.02Å; Y134-L163 HydrophobicContact CG-CG 4.21Å; Y134-L166 HydrophobicContact CD2-CD1 4.43Å; Y134-L166 HydrophobicContact CE2-CD1 3.55Å |
| 135 | L | 95 | Very high | 95 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.6 | -26.5 | 175.6 | -64.1 | 177.9 | 0 | 0 | 0 | 113.4 | T89 R92 E93 L98 I131 L132 N133 I160 | T89-L135 HydrophobicContact CG2-CB 3.79Å; R92-L135 HydrophobicContact CB-CD2 4.22Å; R92-L135 WeakPolarHBondContact CD-O 3.25Å; R92-L135 PolarHBondContact NE-O 3.38Å; R92-L135 PolarHBondContact NH1-O 3.02Å; E93-L135 HydrophobicContact CB-CD2 4.4Å; L98-L135 HydrophobicContact CD1-CD1 3.56Å; I131-L135 PolarHBondContact O-N 3.12Å; I131-L135 VanDerWaalsContact O-N 3.1Å; L132-L135 PolarHBondContact O-N 3.43Å; N133-L135 VanDerWaalsContact C-N 3.29Å; N133-L135 PolarHBondContact O-N 2.92Å; L135-I160 HydrophobicContact CD1-CD1 4.25Å; L135-I160 HydrophobicContact CD2-CD1 4.15Å; L135-I160 HydrophobicContact CG-CD1 4.33Å |
| 136 | R | 96.1 | Very high | 94.9 | Very high | 107 Ų | 107 | 59.3 Ų | 59.3 | 40% | 0.404 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -76.3 | -42.2 | 178.3 | -74.4 | 171.3 | 174 | 176.8 | -3.9 | 113.1 | V84 T89 R92 L132 N133 Y134 | V84-R136 PolarHBondContact O-NH2 3.48Å; T89-R136 HydrophobicContact CG2-CB 4.48Å; T89-R136 HydrophobicContact CG2-CG 3.67Å; R92-R136 VanDerWaalsContact CZ-O 3.3Å; R92-R136 PolarHBondContact NH1-O 3.4Å; R92-R136 PolarHBondContact NH2-O 3.49Å; L132-R136 WeakPolarHBondContact O-CG 3.47Å; L132-R136 PolarHBondContact O-N 3.2Å; N133-R136 PolarHBondContact O-N 3.06Å; Y134-R136 VanDerWaalsContact C-N 3.3Å; Y134-R136 PolarHBondContact O-N 3.01Å |
| 137 | H | 94.8 | Very high | 94.8 | Very high | 79 Ų | 79 | 57.2 Ų | 57.2 | 37% | 0.366 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -134.7 | -0.2 | -170.8 | 53.2 | 66.3 | 0 | 0 | 0 | 115 | N133 K139 | N133-H137 WeakPolarHBondContact CB-NE2 3.4Å; N133-H137 PolarHBondContact O-CD2 2.86Å; N133-H137 VanDerWaalsContact O-CD2 3.24Å; N133-H137 PolarHBondContact O-CE1 3Å; N133-H137 PolarHBondContact O-N 3.33Å; N133-H137 PolarHBondContact O-ND1 3.13Å; N133-H137 PolarHBondContact O-NE2 3.24Å; N133-H137 VanDerWaalsContact O-NE2 3.16Å; H137-K139 VanDerWaalsContact C-N 3.33Å; H137-K139 PolarHBondContact CE1-O 2.97Å; H137-K139 VanDerWaalsContact CE1-O 3.24Å; H137-K139 WeakPolarHBondContact ND1-CB 3.42Å; H137-K139 PolarHBondContact ND1-N 2.78Å; H137-K139 PolarHBondContact O-N 2.95Å |
| 138 | G | 93.8 | Very high | 94.7 | Very high | 40 Ų | 40 | 55.7 Ų | 55.7 | 41% | 0.412 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 74.2 | 18.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y134 | Y134-G138 WeakPolarHBondContact O-CA 3.49Å; Y134-G138 PolarHBondContact O-N 2.93Å |
| 139 | K | 95.5 | Very high | 94.7 | Very high | 143 Ų | 143 | 61.2 Ų | 61.2 | 62% | 0.622 | 31% | 0.31 | S | S | * | . | trans | -120.3 | 135.3 | -179.8 | -56.3 | -176.1 | 178.3 | -178.1 | 0 | 110.2 | H137 I141 | H137-K139 VanDerWaalsContact C-N 3.33Å; H137-K139 PolarHBondContact CE1-O 2.97Å; H137-K139 VanDerWaalsContact CE1-O 3.24Å; H137-K139 WeakPolarHBondContact ND1-CB 3.42Å; H137-K139 PolarHBondContact ND1-N 2.78Å; H137-K139 PolarHBondContact O-N 2.95Å; K139-I141 HydrophobicContact CB-CG1 4.42Å; K139-I141 PolarHBondContact O-N 3.13Å | ||
| 140 | L | 94.7 | Very high | 94.7 | Very high | 31 Ų | 31 | 60.9 Ų | 60.9 | 16% | 0.162 | 31% | 0.307 | C | S | . | . | trans | -79.4 | 112.3 | 173 | 177.8 | 61 | 0 | 0 | 0 | 109.6 | I142 L163 L166 V167 R170 | L140-I142 HydrophobicContact CD1-CD1 3.88Å; L140-I142 HydrophobicContact CD1-CG1 3.74Å; L140-I142 HydrophobicContact CD2-CD1 4.31Å; L140-I142 HydrophobicContact CG-CD1 4.21Å; L140-I142 HydrophobicContact CG-CG1 4.14Å; L140-L163 HydrophobicContact CD1-CD1 3.75Å; L140-L166 HydrophobicContact CD2-CB 4.07Å; L140-V167 HydrophobicContact CD1-CG2 3.96Å; L140-V167 HydrophobicContact CD2-CB 4.5Å; L140-V167 HydrophobicContact CD2-CG2 3.83Å; L140-R170 HydrophobicContact CD2-CB 4.45Å | ||
| 141 | I | 94.5 | Very high | 94.7 | Very high | 91 Ų | 91 | 60.4 Ų | 60.4 | 47% | 0.467 | 30% | 0.303 | S | S | . | . | trans | -123.8 | 111.9 | 177.3 | -56 | 176.7 | 0 | 0 | 0 | 107.5 | K139 | K139-I141 HydrophobicContact CB-CG1 4.42Å; K139-I141 PolarHBondContact O-N 3.13Å | ||
| 142 | I | 93.7 | Very high | 94.7 | Very high | 14 Ų | 14 | 61.6 Ų | 61.6 | 7% | 0.072 | 31% | 0.31 | C | S | . | . | trans | -119.7 | 129.3 | 177.3 | -56.1 | 179.1 | 0 | 0 | 0 | 107.1 | P130 L140 L146 E148 V151 | P130-I142 HydrophobicContact CB-CG1 4.49Å; L140-I142 HydrophobicContact CD1-CD1 3.88Å; L140-I142 HydrophobicContact CD1-CG1 3.74Å; L140-I142 HydrophobicContact CD2-CD1 4.31Å; L140-I142 HydrophobicContact CG-CD1 4.21Å; L140-I142 HydrophobicContact CG-CG1 4.14Å; I142-L146 HydrophobicContact CG2-CB 3.95Å; I142-L146 HydrophobicContact CG2-CD2 4.25Å; I142-L146 HydrophobicContact CG2-CG 4.43Å; I142-E148 HydrophobicContact CD1-CB 4.41Å; I142-E148 HydrophobicContact CD1-CG 4.04Å; I142-E148 HydrophobicContact CG2-CG 4.38Å; I142-V151 HydrophobicContact CD1-CB 4.16Å; I142-V151 HydrophobicContact CD1-CG1 4.12Å; I142-V151 HydrophobicContact CD1-CG2 4.09Å; I142-V151 HydrophobicContact CG1-CG1 4.48Å; I142-V151 HydrophobicContact CG1-CG2 4.31Å; I142-V151 HydrophobicContact CG2-CG2 4.37Å | ||
| 143 | T | 92.4 | Very high | 94.8 | Very high | 84 Ų | 84 | 66.8 Ų | 66.8 | 52% | 0.515 | 33% | 0.334 | S | S | . | . | trans | -72.5 | 153.4 | 174.4 | 53.3 | 0 | 0 | 0 | 0 | 110 | E145 L146 | T143-E145 WeakPolarHBondContact CB-OE2 3.48Å; T143-E145 PolarHBondContact O-N 3.49Å; T143-E145 VanDerWaalsContact O-N 3.14Å; T143-L146 PolarHBondContact O-N 3.14Å; T143-L146 VanDerWaalsContact O-N 3.1Å; T143-L146 WeakPolarHBondContact OG1-CB 3.37Å | ||
| 144 | K | 88.8 | Confident | 94.8 | Very high | 208 Ų | 208 | 64.5 Ų | 64.5 | 90% | 0.904 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -24.9 | -172 | -68.2 | -177.3 | 179 | -179.8 | 0 | 113.2 | L146 | K144-L146 VanDerWaalsContact C-N 3.33Š|
| 145 | E | 91.7 | Very high | 94.8 | Very high | 163 Ų | 163 | 63 Ų | 63 | 76% | 0.762 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -11 | -177.2 | -52.3 | 72.6 | -154.3 | 0 | 0 | 112.4 | T143 | T143-E145 WeakPolarHBondContact CB-OE2 3.48Å; T143-E145 PolarHBondContact O-N 3.49Å; T143-E145 VanDerWaalsContact O-N 3.14Å |
| 146 | L | 93.4 | Very high | 94.8 | Very high | 22 Ų | 22 | 66.8 Ų | 66.8 | 12% | 0.115 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -96.2 | 124.1 | -175.6 | -165.6 | 69 | 0 | 0 | 0 | 110.1 | T126 Y127 P130 I142 T143 K144 E148 V151 | T126-L146 HydrophobicContact CG2-CD1 3.64Å; Y127-L146 HydrophobicContact CD1-CD1 3.58Å; Y127-L146 HydrophobicContact CD1-CD2 4.2Å; Y127-L146 HydrophobicContact CD1-CG 3.79Å; Y127-L146 HydrophobicContact CE1-CD1 3.53Å; Y127-L146 HydrophobicContact CE1-CG 3.88Å; Y127-L146 HydrophobicContact CG-CD1 4.43Å; P130-L146 HydrophobicContact CG-CD2 3.53Å; I142-L146 HydrophobicContact CG2-CB 3.95Å; I142-L146 HydrophobicContact CG2-CD2 4.25Å; I142-L146 HydrophobicContact CG2-CG 4.43Å; T143-L146 PolarHBondContact O-N 3.14Å; T143-L146 VanDerWaalsContact O-N 3.1Å; T143-L146 WeakPolarHBondContact OG1-CB 3.37Å; K144-L146 VanDerWaalsContact C-N 3.33Å; L146-E148 PolarHBondContact O-N 2.94Å; L146-V151 HydrophobicContact CD2-CG2 3.72Å; L146-V151 HydrophobicContact CG-CG2 4.16Å |
| 147 | A | 94.7 | Very high | 94.8 | Very high | 41 Ų | 41 | 65.9 Ų | 65.9 | 34% | 0.339 | 33% | 0.333 | S | S | . | . | trans | -62.8 | 126.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y127 E149 G150 V151 | Y127-A147 HydrophobicContact CE1-CB 4.2Å; Y127-A147 WeakPolarHBondContact CE1-O 3.4Å; A147-E149 PolarHBondContact O-N 2.92Å; A147-G150 PolarHBondContact O-N 3.18Å; A147-V151 PolarHBondContact O-N 2.73Å | ||
| 148 | E | 94.7 | Very high | 94.8 | Very high | 25 Ų | 25 | 62.1 Ų | 62.1 | 12% | 0.117 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.1 | -29.8 | -178.4 | -61.5 | -171.4 | 159.6 | 0 | 0 | 110.9 | I142 L146 V151 L152 R170 I171 | I142-E148 HydrophobicContact CD1-CB 4.41Å; I142-E148 HydrophobicContact CD1-CG 4.04Å; I142-E148 HydrophobicContact CG2-CG 4.38Å; L146-E148 PolarHBondContact O-N 2.94Å; E148-V151 PolarHBondContact O-N 2.97Å; E148-L152 PolarHBondContact O-N 3.05Å; E148-R170 WeakPolarHBondContact OE1-CD 3.45Å; E148-R170 IonicContact OE1-CZ 3.61Å; E148-R170 IonicContact OE1-NE 2.73Å; E148-R170 PolarHBondContact OE1-NE 3.24Å; E148-R170 IonicContact OE1-NH2 3.61Å; E148-I171 HydrophobicContact CB-CD1 4.19Å; E148-I171 HydrophobicContact CB-CG1 3.7Å |
| 149 | E | 95.5 | Very high | 94.8 | Very high | 116 Ų | 116 | 64.4 Ų | 64.4 | 54% | 0.542 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.6 | -41 | 174.6 | -60.5 | 76.1 | -167.2 | 0 | 0 | 111.6 | A147 V151 L152 E153 | A147-E149 PolarHBondContact O-N 2.92Å; E149-V151 VanDerWaalsContact C-N 3.34Å; E149-V151 PolarHBondContact O-N 2.92Å; E149-L152 WeakPolarHBondContact O-CB 3.44Å; E149-L152 PolarHBondContact O-N 3.31Å; E149-E153 WeakPolarHBondContact O-CG 3.48Å; E149-E153 PolarHBondContact O-N 2.95Å |
| 150 | G | 96.2 | Very high | 94.8 | Very high | 13 Ų | 13 | 57.6 Ų | 57.6 | 13% | 0.134 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.6 | -34.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A147 L152 E154 | A147-G150 PolarHBondContact O-N 3.18Å; G150-L152 VanDerWaalsContact C-N 3.3Å; G150-E154 PolarHBondContact O-N 3.36Å |
| 151 | V | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.2 | -35.1 | 172.1 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | Y127 P130 I131 I142 L146 A147 E148 E149 A155 V167 | Y127-V151 HydrophobicContact CD1-CG2 3.92Å; P130-V151 HydrophobicContact CB-CG1 4.03Å; P130-V151 HydrophobicContact CB-CG2 4.43Å; P130-V151 HydrophobicContact CG-CG2 4.13Å; I131-V151 HydrophobicContact CD1-CG1 3.96Å; I142-V151 HydrophobicContact CD1-CB 4.16Å; I142-V151 HydrophobicContact CD1-CG1 4.12Å; I142-V151 HydrophobicContact CD1-CG2 4.09Å; I142-V151 HydrophobicContact CG1-CG1 4.48Å; I142-V151 HydrophobicContact CG1-CG2 4.31Å; I142-V151 HydrophobicContact CG2-CG2 4.37Å; L146-V151 HydrophobicContact CD2-CG2 3.72Å; L146-V151 HydrophobicContact CG-CG2 4.16Å; A147-V151 PolarHBondContact O-N 2.73Å; E148-V151 PolarHBondContact O-N 2.97Å; E149-V151 VanDerWaalsContact C-N 3.34Å; E149-V151 PolarHBondContact O-N 2.92Å; V151-A155 WeakPolarHBondContact O-CB 3.33Å; V151-A155 PolarHBondContact O-N 2.94Å; V151-V167 HydrophobicContact CG1-CG2 4.12Å |
| 152 | L | 97.3 | Very high | 94.8 | Very high | 25 Ų | 25 | 56.7 Ų | 56.7 | 13% | 0.131 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.4 | -49.2 | 176.3 | -180 | 59.3 | 0 | 0 | 0 | 111.5 | E148 E149 G150 E154 A155 E156 V164 V167 K168 I171 | E148-L152 PolarHBondContact O-N 3.05Å; E149-L152 WeakPolarHBondContact O-CB 3.44Å; E149-L152 PolarHBondContact O-N 3.31Å; G150-L152 VanDerWaalsContact C-N 3.3Å; L152-E154 VanDerWaalsContact C-N 3.32Å; L152-E154 PolarHBondContact O-N 3.2Å; L152-A155 PolarHBondContact O-N 2.99Å; L152-A155 VanDerWaalsContact O-N 3.12Å; L152-E156 HydrophobicContact CD1-CG 4.31Å; L152-E156 WeakPolarHBondContact O-CG 3.34Å; L152-E156 PolarHBondContact O-N 3.18Å; L152-V164 HydrophobicContact CD1-CG1 3.99Å; L152-V167 HydrophobicContact CB-CG1 3.72Å; L152-V167 HydrophobicContact CD1-CB 4.2Å; L152-V167 HydrophobicContact CD1-CG1 4.17Å; L152-V167 HydrophobicContact CG-CG1 4.48Å; L152-K168 HydrophobicContact CD1-CD 4.45Å; L152-K168 HydrophobicContact CD1-CG 3.83Å; L152-K168 HydrophobicContact CD2-CG 4.13Å; L152-I171 HydrophobicContact CB-CD1 4.32Å; L152-I171 HydrophobicContact CD2-CD1 4Å |
| 153 | E | 97.3 | Very high | 94.9 | Very high | 112 Ų | 112 | 56 Ų | 56 | 52% | 0.523 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.1 | -45.3 | 177.2 | -72.9 | -66 | 140.3 | 0 | 0 | 111.8 | E149 E156 F157 | E149-E153 WeakPolarHBondContact O-CG 3.48Å; E149-E153 PolarHBondContact O-N 2.95Å; E153-E156 PolarHBondContact O-N 3.27Å; E153-F157 WeakPolarHBondContact O-CB 3.42Å; E153-F157 PolarHBondContact O-N 3.36Å |
| 154 | E | 96.4 | Very high | 95.1 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.028 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 175.4 | -71.5 | -53.3 | 109.9 | 0 | 0 | 112.3 | R123 Y127 I131 G150 L152 E156 F157 Y158 | R123-E154 IonicContact CZ-OE1 3.63Å; R123-E154 IonicContact NE-OE1 3.17Å; R123-E154 PolarHBondContact NE-OE1 3.12Å; R123-E154 IonicContact NE-OE2 2.68Å; R123-E154 IonicContact NH2-OE1 2.9Å; R123-E154 PolarHBondContact NH2-OE1 3.39Å; Y127-E154 VanDerWaalsContact CB-CG 3.45Å; Y127-E154 HydrophobicContact CG-CG 4.45Å; I131-E154 HydrophobicContact CD1-CB 4.1Å; I131-E154 HydrophobicContact CG1-CB 4.01Å; G150-E154 PolarHBondContact O-N 3.36Å; L152-E154 VanDerWaalsContact C-N 3.32Å; L152-E154 PolarHBondContact O-N 3.2Å; E154-E156 VanDerWaalsContact C-N 3.27Å; E154-E156 PolarHBondContact O-N 3.4Å; E154-F157 PolarHBondContact O-N 3.43Å; E154-Y158 HydrophobicContact CB-CD2 4.31Å; E154-Y158 HydrophobicContact CB-CE2 3.99Å; E154-Y158 HydrophobicContact CG-CE2 4.46Å; E154-Y158 WeakPolarHBondContact O-CD2 3.46Å; E154-Y158 PolarHBondContact O-N 2.96Å; E154-Y158 WeakPolarHBondContact OE2-CE2 3.49Å; E154-Y158 PolarHBondContact OE2-OH 3.46Å |
| 155 | A | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.3 | -36 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | I131 V151 L152 N159 I160 L163 V164 | I131-A155 HydrophobicContact CD1-CB 3.93Å; V151-A155 WeakPolarHBondContact O-CB 3.33Å; V151-A155 PolarHBondContact O-N 2.94Å; L152-A155 PolarHBondContact O-N 2.99Å; L152-A155 VanDerWaalsContact O-N 3.12Å; A155-N159 PolarHBondContact O-N 3.31Å; A155-I160 PolarHBondContact O-N 3.24Å; A155-L163 HydrophobicContact CB-CB 4.42Å; A155-L163 HydrophobicContact CB-CD2 3.99Å; A155-L163 HydrophobicContact CB-CG 3.94Å; A155-V164 HydrophobicContact CB-CG2 3.79Å |
| 156 | E | 96.4 | Very high | 95.7 | Very high | 83 Ų | 83 | 45.1 Ų | 45.1 | 39% | 0.388 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.2 | -44.2 | 173.7 | -69.6 | -170.6 | 166.9 | 0 | 0 | 111.2 | L152 E153 E154 Y158 N159 V164 K168 | L152-E156 HydrophobicContact CD1-CG 4.31Å; L152-E156 WeakPolarHBondContact O-CG 3.34Å; L152-E156 PolarHBondContact O-N 3.18Å; E153-E156 PolarHBondContact O-N 3.27Å; E154-E156 VanDerWaalsContact C-N 3.27Å; E154-E156 PolarHBondContact O-N 3.4Å; E156-Y158 PolarHBondContact O-N 3.03Å; E156-N159 WeakPolarHBondContact O-CA 3.13Å; E156-N159 PolarHBondContact O-N 2.73Å; E156-V164 HydrophobicContact CB-CG2 4.44Å; E156-V164 HydrophobicContact CG-CG1 3.96Å; E156-V164 HydrophobicContact CG-CG2 3.68Å; E156-K168 VanDerWaalsContact OE1-CE 3.25Å; E156-K168 WeakPolarHBondContact OE1-CE 3.06Å; E156-K168 IonicContact OE1-NZ 2.78Å; E156-K168 PolarHBondContact OE1-NZ 3.44Å |
| 157 | F | 95.2 | Very high | 95.8 | Very high | 88 Ų | 88 | 44.1 Ų | 44.1 | 39% | 0.386 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58 | -48.6 | 176.5 | 176.9 | -95.8 | 0 | 0 | 0 | 112.8 | R123 E153 E154 N159 | R123-F157 HydrophobicContact CG-CD1 3.85Å; R123-F157 HydrophobicContact CG-CE1 3.51Å; R123-F157 HydrophobicContact CG-CE2 4.45Å; R123-F157 HydrophobicContact CG-CG 4.46Å; R123-F157 HydrophobicContact CG-CZ 3.84Å; E153-F157 WeakPolarHBondContact O-CB 3.42Å; E153-F157 PolarHBondContact O-N 3.36Å; E154-F157 PolarHBondContact O-N 3.43Å; F157-N159 PolarHBondContact O-N 3.37Å |
| 158 | Y | 94.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -2.9 | 177.3 | -60.9 | -64.6 | 0 | 0 | 0 | 113.2 | S96 F97 L98 I121 F128 I131 E154 E156 | S96-Y158 CarbonylContact C-O 3.57Å; S96-Y158 WeakPolarHBondContact CA-O 3.41Å; S96-Y158 VanDerWaalsContact CB-O 3.23Å; S96-Y158 WeakPolarHBondContact CB-O 3.27Å; F97-Y158 HydrophobicContact CD1-CD1 4.13Å; F97-Y158 HydrophobicContact CD1-CE1 4.44Å; F97-Y158 PolarHBondContact N-O 3.39Å; L98-Y158 HydrophobicContact CD1-CD1 4.18Å; L98-Y158 HydrophobicContact CD1-CG 4.31Å; L98-Y158 HydrophobicContact CD2-CD1 4.01Å; L98-Y158 HydrophobicContact CD2-CE1 4.18Å; L98-Y158 HydrophobicContact CG-CD1 3.85Å; L98-Y158 HydrophobicContact CG-CE1 4.49Å; L98-Y158 HydrophobicContact CG-CG 4.37Å; I121-Y158 HydrophobicContact CG2-CE1 4.25Å; F128-Y158 HydrophobicContact CD2-CD2 4.47Å; F128-Y158 HydrophobicContact CD2-CE1 4.4Å; F128-Y158 AromaticContact CD2-CE2 3.59Å; F128-Y158 HydrophobicContact CD2-CE2 3.59Å; F128-Y158 AromaticContact CD2-CZ 3.56Å; F128-Y158 WeakPolarHBondContact CD2-OH 3.38Å; F128-Y158 HydrophobicContact CE2-CD2 4.49Å; F128-Y158 HydrophobicContact CE2-CE1 4.05Å; F128-Y158 AromaticContact CE2-CE2 3.89Å; F128-Y158 HydrophobicContact CE2-CE2 3.89Å; F128-Y158 AromaticContact CE2-CZ 3.67Å; I131-Y158 HydrophobicContact CG1-CD2 4.28Å; I131-Y158 HydrophobicContact CG1-CE2 4.43Å; I131-Y158 HydrophobicContact CG2-CD2 3.87Å; I131-Y158 HydrophobicContact CG2-CG 4.5Å; E154-Y158 HydrophobicContact CB-CD2 4.31Å; E154-Y158 HydrophobicContact CB-CE2 3.99Å; E154-Y158 HydrophobicContact CG-CE2 4.46Å; E154-Y158 WeakPolarHBondContact O-CD2 3.46Å; E154-Y158 PolarHBondContact O-N 2.96Å; E154-Y158 WeakPolarHBondContact OE2-CE2 3.49Å; E154-Y158 PolarHBondContact OE2-OH 3.46Å; E156-Y158 PolarHBondContact O-N 3.03Å |
| 159 | N | 94.9 | Very high | 95.9 | Very high | 88 Ų | 88 | 49.8 Ų | 49.8 | 47% | 0.471 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 51.8 | 179.9 | -168.6 | 31.2 | 0 | 0 | 0 | 113.3 | K95 A155 E156 F157 | K95-N159 PolarHBondContact O-ND2 3.44Å; A155-N159 PolarHBondContact O-N 3.31Å; E156-N159 WeakPolarHBondContact O-CA 3.13Å; E156-N159 PolarHBondContact O-N 2.73Å; F157-N159 PolarHBondContact O-N 3.37Å |
| 160 | I | 95.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -105.5 | 80.7 | 178.5 | -54.4 | 168.8 | 0 | 0 | 0 | 108.7 | E93 I131 Y134 L135 A155 S162 L163 V164 | E93-I160 HydrophobicContact CG-CG1 4.46Å; E93-I160 HydrophobicContact CG-CG2 4.18Å; I131-I160 HydrophobicContact CG2-CD1 3.48Å; I131-I160 VanDerWaalsContact CG2-CD1 3.48Å; Y134-I160 HydrophobicContact CD1-CG2 4.11Å; Y134-I160 HydrophobicContact CE1-CG2 3.8Å; L135-I160 HydrophobicContact CD1-CD1 4.25Å; L135-I160 HydrophobicContact CD2-CD1 4.15Å; L135-I160 HydrophobicContact CG-CD1 4.33Å; A155-I160 PolarHBondContact O-N 3.24Å; I160-S162 VanDerWaalsContact C-N 3.25Å; I160-S162 PolarHBondContact O-N 2.98Å; I160-L163 HydrophobicContact CB-CB 3.98Å; I160-L163 HydrophobicContact CD1-CD2 4.43Å; I160-L163 HydrophobicContact CG2-CB 3.49Å; I160-L163 VanDerWaalsContact CG2-CB 3.49Å; I160-L163 HydrophobicContact CG2-CD2 4.37Å; I160-L163 WeakPolarHBondContact O-CA 3.47Å; I160-L163 WeakPolarHBondContact O-CB 3.4Å; I160-L163 PolarHBondContact O-N 2.68Å; I160-V164 WeakPolarHBondContact O-CG2 3.43Å; I160-V164 PolarHBondContact O-N 3.11Å | ||
| 161 | A | 94.3 | Very high | 95.6 | Very high | 66 Ų | 66 | 49 Ų | 49 | 55% | 0.545 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.3 | -37.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L163 V164 R165 | A161-L163 VanDerWaalsContact C-N 3.3Å; A161-L163 PolarHBondContact O-N 2.97Å; A161-V164 PolarHBondContact O-N 3.1Å; A161-R165 PolarHBondContact O-N 3.14Å; A161-R165 VanDerWaalsContact O-N 3.1Å |
| 162 | S | 95 | Very high | 95.3 | Very high | 36 Ų | 36 | 56.3 Ų | 56.3 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.6 | -38.3 | 176.8 | 52 | 0 | 0 | 0 | 0 | 112.1 | E93 Y134 I160 L166 | E93-S162 PolarHBondContact OE2-OG 3.47Å; Y134-S162 VanDerWaalsContact OH-CB 3.25Å; Y134-S162 WeakPolarHBondContact OH-CB 3.26Å; Y134-S162 PolarHBondContact OH-OG 2.94Å; Y134-S162 VanDerWaalsContact OH-OG 3.13Å; I160-S162 VanDerWaalsContact C-N 3.25Å; I160-S162 PolarHBondContact O-N 2.98Å; S162-L166 WeakPolarHBondContact O-CG 2.98Å; S162-L166 PolarHBondContact O-N 3.26Å |
| 163 | L | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -76.2 | -44.9 | 176.3 | -175.5 | 55.8 | 0 | 0 | 0 | 112.1 | I131 Y134 L140 A155 I160 A161 R165 L166 V167 | I131-L163 HydrophobicContact CB-CD2 4.43Å; I131-L163 HydrophobicContact CD1-CD2 3.5Å; I131-L163 HydrophobicContact CG2-CD2 4.11Å; Y134-L163 HydrophobicContact CD1-CB 3.88Å; Y134-L163 HydrophobicContact CD1-CD1 4Å; Y134-L163 HydrophobicContact CD1-CD2 3.89Å; Y134-L163 HydrophobicContact CD1-CG 4.16Å; Y134-L163 HydrophobicContact CD2-CD1 3.64Å; Y134-L163 HydrophobicContact CE1-CB 3.78Å; Y134-L163 HydrophobicContact CE1-CD1 4.42Å; Y134-L163 HydrophobicContact CE2-CD1 4.09Å; Y134-L163 HydrophobicContact CG-CB 4.35Å; Y134-L163 HydrophobicContact CG-CD1 3.58Å; Y134-L163 HydrophobicContact CG-CD2 4.02Å; Y134-L163 HydrophobicContact CG-CG 4.21Å; L140-L163 HydrophobicContact CD1-CD1 3.75Å; A155-L163 HydrophobicContact CB-CB 4.42Å; A155-L163 HydrophobicContact CB-CD2 3.99Å; A155-L163 HydrophobicContact CB-CG 3.94Å; I160-L163 HydrophobicContact CB-CB 3.98Å; I160-L163 HydrophobicContact CD1-CD2 4.43Å; I160-L163 HydrophobicContact CG2-CB 3.49Å; I160-L163 VanDerWaalsContact CG2-CB 3.49Å; I160-L163 HydrophobicContact CG2-CD2 4.37Å; I160-L163 WeakPolarHBondContact O-CA 3.47Å; I160-L163 WeakPolarHBondContact O-CB 3.4Å; I160-L163 PolarHBondContact O-N 2.68Å; A161-L163 VanDerWaalsContact C-N 3.3Å; A161-L163 PolarHBondContact O-N 2.97Å; L163-R165 PolarHBondContact O-N 3.37Å; L163-L166 WeakPolarHBondContact O-CB 3.39Å; L163-L166 PolarHBondContact O-N 3.26Å; L163-V167 HydrophobicContact CD1-CG2 4.17Å; L163-V167 HydrophobicContact CG-CG2 4.31Å; L163-V167 WeakPolarHBondContact O-CG2 3.28Å; L163-V167 PolarHBondContact O-N 2.94Å |
| 164 | V | 96.6 | Very high | 94.4 | Very high | 20 Ų | 20 | 57.5 Ų | 57.5 | 12% | 0.121 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -52.3 | -44.6 | 176.3 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | L152 A155 E156 I160 A161 V167 K168 | L152-V164 HydrophobicContact CD1-CG1 3.99Å; A155-V164 HydrophobicContact CB-CG2 3.79Å; E156-V164 HydrophobicContact CB-CG2 4.44Å; E156-V164 HydrophobicContact CG-CG1 3.96Å; E156-V164 HydrophobicContact CG-CG2 3.68Å; I160-V164 WeakPolarHBondContact O-CG2 3.43Å; I160-V164 PolarHBondContact O-N 3.11Å; A161-V164 PolarHBondContact O-N 3.1Å; V164-V167 PolarHBondContact O-N 3.23Å; V164-K168 HydrophobicContact CG1-CD 4.16Å; V164-K168 WeakPolarHBondContact O-CG 3.23Å; V164-K168 PolarHBondContact O-N 3.49Å |
| 165 | R | 96 | Very high | 93.9 | Very high | 159 Ų | 159 | 62.6 Ų | 62.6 | 60% | 0.6 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.1 | -46.6 | 176.2 | -172.7 | 177.9 | 67 | 86.8 | -0.6 | 112.4 | A161 L163 K168 E169 | A161-R165 PolarHBondContact O-N 3.14Å; A161-R165 VanDerWaalsContact O-N 3.1Å; L163-R165 PolarHBondContact O-N 3.37Å; R165-K168 PolarHBondContact O-N 2.74Å; R165-E169 IonicContact NH1-OE2 3.91Å; R165-E169 WeakPolarHBondContact O-CB 3.49Å; R165-E169 PolarHBondContact O-N 3.01Å |
| 166 | L | 95.9 | Very high | 93.1 | Very high | 48 Ų | 48 | 66.6 Ų | 66.6 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | -179.7 | -69.8 | 170.6 | 0 | 0 | 0 | 112.3 | Y134 L140 S162 L163 R170 | Y134-L166 HydrophobicContact CD2-CD1 4.43Å; Y134-L166 HydrophobicContact CE2-CD1 3.55Å; L140-L166 HydrophobicContact CD2-CB 4.07Å; S162-L166 WeakPolarHBondContact O-CG 2.98Å; S162-L166 PolarHBondContact O-N 3.26Å; L163-L166 WeakPolarHBondContact O-CB 3.39Å; L163-L166 PolarHBondContact O-N 3.26Å; L166-R170 WeakPolarHBondContact O-CB 3.14Å; L166-R170 PolarHBondContact O-N 2.68Å |
| 167 | V | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.1 | -44.4 | 177.7 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | L140 V151 L152 L163 V164 E169 R170 I171 | L140-V167 HydrophobicContact CD1-CG2 3.96Å; L140-V167 HydrophobicContact CD2-CB 4.5Å; L140-V167 HydrophobicContact CD2-CG2 3.83Å; V151-V167 HydrophobicContact CG1-CG2 4.12Å; L152-V167 HydrophobicContact CB-CG1 3.72Å; L152-V167 HydrophobicContact CD1-CB 4.2Å; L152-V167 HydrophobicContact CD1-CG1 4.17Å; L152-V167 HydrophobicContact CG-CG1 4.48Å; L163-V167 HydrophobicContact CD1-CG2 4.17Å; L163-V167 HydrophobicContact CG-CG2 4.31Å; L163-V167 WeakPolarHBondContact O-CG2 3.28Å; L163-V167 PolarHBondContact O-N 2.94Å; V164-V167 PolarHBondContact O-N 3.23Å; V167-E169 VanDerWaalsContact C-N 3.33Å; V167-E169 PolarHBondContact O-N 3.02Å; V167-R170 PolarHBondContact O-N 2.9Å; V167-I171 HydrophobicContact CG1-CD1 3.89Å; V167-I171 HydrophobicContact CG1-CG1 4.39Å; V167-I171 WeakPolarHBondContact O-CG1 3.43Å; V167-I171 PolarHBondContact O-N 3.2Å |
| 168 | K | 95.9 | Very high | 91.2 | Very high | 95 Ų | 95 | 73.3 Ų | 73.3 | 41% | 0.413 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 176 | -72.2 | -177.3 | -175.4 | -179.3 | 0 | 112.9 | L152 E156 V164 R165 R172 | L152-K168 HydrophobicContact CD1-CD 4.45Å; L152-K168 HydrophobicContact CD1-CG 3.83Å; L152-K168 HydrophobicContact CD2-CG 4.13Å; E156-K168 VanDerWaalsContact OE1-CE 3.25Å; E156-K168 WeakPolarHBondContact OE1-CE 3.06Å; E156-K168 IonicContact OE1-NZ 2.78Å; E156-K168 PolarHBondContact OE1-NZ 3.44Å; V164-K168 HydrophobicContact CG1-CD 4.16Å; V164-K168 WeakPolarHBondContact O-CG 3.23Å; V164-K168 PolarHBondContact O-N 3.49Å; R165-K168 PolarHBondContact O-N 2.74Å; K168-R172 WeakPolarHBondContact O-CB 3.49Å; K168-R172 PolarHBondContact O-N 3.24Å; K168-R172 VanDerWaalsContact O-N 3.12Å |
| 169 | E | 94.7 | Very high | 89.8 | Confident | 91 Ų | 91 | 77.6 Ų | 77.6 | 43% | 0.425 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 175 | -176 | 171.4 | -166.9 | 0 | 0 | 111.1 | R165 V167 R172 D173 | R165-E169 IonicContact NH1-OE2 3.91Å; R165-E169 WeakPolarHBondContact O-CB 3.49Å; R165-E169 PolarHBondContact O-N 3.01Å; V167-E169 VanDerWaalsContact C-N 3.33Å; V167-E169 PolarHBondContact O-N 3.02Å; E169-R172 PolarHBondContact O-N 2.94Å; E169-D173 PolarHBondContact O-N 3Å |
| 170 | R | 93 | Very high | 88.3 | Confident | 91 Ų | 91 | 79.3 Ų | 79.3 | 34% | 0.343 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 178.3 | -174.3 | 173.6 | 174.1 | 138.9 | -3.2 | 113.3 | L140 E148 L166 V167 R172 D173 N174 | L140-R170 HydrophobicContact CD2-CB 4.45Å; E148-R170 WeakPolarHBondContact OE1-CD 3.45Å; E148-R170 IonicContact OE1-CZ 3.61Å; E148-R170 IonicContact OE1-NE 2.73Å; E148-R170 PolarHBondContact OE1-NE 3.24Å; E148-R170 IonicContact OE1-NH2 3.61Å; L166-R170 WeakPolarHBondContact O-CB 3.14Å; L166-R170 PolarHBondContact O-N 2.68Å; V167-R170 PolarHBondContact O-N 2.9Å; R170-R172 VanDerWaalsContact C-N 3.33Å; R170-R172 PolarHBondContact O-N 3.18Å; R170-D173 PolarHBondContact O-N 3Å; R170-N174 WeakPolarHBondContact O-CB 3.35Å; R170-N174 PolarHBondContact O-N 3.34Å |
| 171 | I | 92.9 | Very high | 86.7 | Confident | 20 Ų | 20 | 81.6 Ų | 81.6 | 10% | 0.103 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.5 | -48.7 | 175.8 | -69.5 | 167.6 | 0 | 0 | 0 | 109.5 | E148 L152 V167 D173 N174 E175 | E148-I171 HydrophobicContact CB-CD1 4.19Å; E148-I171 HydrophobicContact CB-CG1 3.7Å; L152-I171 HydrophobicContact CB-CD1 4.32Å; L152-I171 HydrophobicContact CD2-CD1 4Å; V167-I171 HydrophobicContact CG1-CD1 3.89Å; V167-I171 HydrophobicContact CG1-CG1 4.39Å; V167-I171 WeakPolarHBondContact O-CG1 3.43Å; V167-I171 PolarHBondContact O-N 3.2Å; I171-D173 VanDerWaalsContact C-N 3.34Å; I171-D173 PolarHBondContact O-N 3.36Å; I171-N174 WeakPolarHBondContact O-CB 3.39Å; I171-N174 PolarHBondContact O-N 3.32Å; I171-N174 VanDerWaalsContact O-N 3.13Å; I171-E175 HydrophobicContact CG2-CG 4.43Å; I171-E175 WeakPolarHBondContact O-CG 3.47Å; I171-E175 PolarHBondContact O-N 3.41Å |
| 172 | R | 91.2 | Very high | 85.5 | Confident | 154 Ų | 154 | 84.5 Ų | 84.5 | 58% | 0.581 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60 | -41.5 | 177.9 | -173.8 | -170.2 | -58.6 | 169.8 | 1.9 | 112.6 | K168 E169 R170 N174 E175 N176 | K168-R172 WeakPolarHBondContact O-CB 3.49Å; K168-R172 PolarHBondContact O-N 3.24Å; K168-R172 VanDerWaalsContact O-N 3.12Å; E169-R172 PolarHBondContact O-N 2.94Å; R170-R172 VanDerWaalsContact C-N 3.33Å; R170-R172 PolarHBondContact O-N 3.18Å; R172-N174 VanDerWaalsContact C-N 3.32Å; R172-E175 PolarHBondContact O-N 3.32Å; R172-N176 WeakPolarHBondContact O-CB 3.1Å; R172-N176 PolarHBondContact O-N 2.89Å; R172-N176 PolarHBondContact O-ND2 3.19Å |
| 173 | D | 89 | Confident | 84.7 | Confident | 81 Ų | 81 | 86.4 Ų | 86.4 | 43% | 0.433 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.9 | -38.2 | 177.2 | -75 | -15.8 | 0 | 0 | 0 | 111.5 | E169 R170 I171 N176 R177 | E169-D173 PolarHBondContact O-N 3Å; R170-D173 PolarHBondContact O-N 3Å; I171-D173 VanDerWaalsContact C-N 3.34Å; I171-D173 PolarHBondContact O-N 3.36Å; D173-N176 PolarHBondContact O-N 3.16Å; D173-R177 WeakPolarHBondContact O-CB 3.47Å; D173-R177 WeakPolarHBondContact O-CG 3.43Å; D173-R177 PolarHBondContact O-N 3.41Å |
| 174 | N | 86.7 | Confident | 84.2 | Confident | 82 Ų | 82 | 92.7 Ų | 92.7 | 44% | 0.439 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68 | -41.2 | 176.5 | -165.6 | 29.8 | 0 | 0 | 0 | 112 | R170 I171 R172 R177 T178 | R170-N174 WeakPolarHBondContact O-CB 3.35Å; R170-N174 PolarHBondContact O-N 3.34Å; I171-N174 WeakPolarHBondContact O-CB 3.39Å; I171-N174 PolarHBondContact O-N 3.32Å; I171-N174 VanDerWaalsContact O-N 3.13Å; R172-N174 VanDerWaalsContact C-N 3.32Å; N174-R177 PolarHBondContact O-N 3.37Å; N174-T178 WeakPolarHBondContact O-CB 3.4Å; N174-T178 PolarHBondContact O-N 3.4Å; N174-T178 PolarHBondContact O-OG1 3.24Å |
| 175 | E | 84.5 | Confident | 83.8 | Confident | 112 Ų | 112 | 95 Ų | 95 | 52% | 0.523 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 170.3 | -71.8 | 179 | 142.2 | 0 | 0 | 110.5 | I171 R172 R177 T178 S179 | I171-E175 HydrophobicContact CG2-CG 4.43Å; I171-E175 WeakPolarHBondContact O-CG 3.47Å; I171-E175 PolarHBondContact O-N 3.41Å; R172-E175 PolarHBondContact O-N 3.32Å; E175-R177 VanDerWaalsContact C-N 3.26Å; E175-R177 PolarHBondContact O-N 3.09Å; E175-T178 PolarHBondContact O-N 3.06Å; E175-T178 VanDerWaalsContact O-N 3.13Å; E175-S179 WeakPolarHBondContact O-CA 3.5Å; E175-S179 WeakPolarHBondContact O-CB 3.4Å; E175-S179 PolarHBondContact O-N 3.1Å; E175-S179 PolarHBondContact O-OG 3.27Å; E175-S179 VanDerWaalsContact O-OG 3.06Å |
| 176 | N | 81.1 | Confident | 83.7 | Confident | 84 Ų | 84 | 90.1 Ų | 90.1 | 45% | 0.449 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.3 | -32.9 | 178.3 | -75.2 | -24 | 0 | 0 | 0 | 113.3 | R172 D173 Q180 | R172-N176 WeakPolarHBondContact O-CB 3.1Å; R172-N176 PolarHBondContact O-N 2.89Å; R172-N176 PolarHBondContact O-ND2 3.19Å; D173-N176 PolarHBondContact O-N 3.16Å; N176-Q180 WeakPolarHBondContact O-CG 3.17Å; N176-Q180 PolarHBondContact O-N 3.35Å |
| 177 | R | 78.1 | Confident | 83.7 | Confident | 201 Ų | 201 | 94.1 Ų | 94.1 | 76% | 0.758 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -74.6 | -35.3 | 176.4 | -72.1 | 176.7 | 80.8 | -171.7 | 5.3 | 112.3 | D173 N174 E175 | D173-R177 WeakPolarHBondContact O-CB 3.47Å; D173-R177 WeakPolarHBondContact O-CG 3.43Å; D173-R177 PolarHBondContact O-N 3.41Å; N174-R177 PolarHBondContact O-N 3.37Å; E175-R177 VanDerWaalsContact C-N 3.26Å; E175-R177 PolarHBondContact O-N 3.09Å |
| 178 | T | 73.7 | Confident | 83.6 | Confident | 111 Ų | 111 | 100.9 Ų | 100.9 | 68% | 0.681 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -81.1 | -35 | 179 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | N174 E175 Q180 | N174-T178 WeakPolarHBondContact O-CB 3.4Å; N174-T178 PolarHBondContact O-N 3.4Å; N174-T178 PolarHBondContact O-OG1 3.24Å; E175-T178 PolarHBondContact O-N 3.06Å; E175-T178 VanDerWaalsContact O-N 3.13Å; T178-Q180 VanDerWaalsContact C-N 3.31Å |
| 179 | S | 65.4 | Low | 83.6 | Confident | 91 Ų | 91 | 100.6 Ų | 100.6 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | trans | -90.4 | 14.7 | 179.1 | -55.9 | 0 | 0 | 0 | 0 | 113.1 | E175 G181 | E175-S179 WeakPolarHBondContact O-CA 3.5Å; E175-S179 WeakPolarHBondContact O-CB 3.4Å; E175-S179 PolarHBondContact O-N 3.1Å; E175-S179 PolarHBondContact O-OG 3.27Å; E175-S179 VanDerWaalsContact O-OG 3.06Å; S179-G181 PolarHBondContact O-N 3Å | ||
| 180 | Q | 61.6 | Low | 83.5 | Confident | 124 Ų | 124 | 99.1 Ų | 99.1 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | trans | -62.6 | 89.7 | 159.2 | -68.3 | -142.5 | -23.3 | 0 | 0 | 106.8 | N176 T178 | N176-Q180 WeakPolarHBondContact O-CG 3.17Å; N176-Q180 PolarHBondContact O-N 3.35Å; T178-Q180 VanDerWaalsContact C-N 3.31Å | ||
| 181 | G | 63.8 | Low | 83.4 | Confident | 47 Ų | 47 | 100.9 Ų | 100.9 | 49% | 0.485 | 51% | 0.509 | S | S | . | . | trans | -56.1 | 175.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S179 V183 | S179-G181 PolarHBondContact O-N 3Å; G181-V183 PolarHBondContact O-N 3.5Å; G181-V183 VanDerWaalsContact O-N 3.11Å | ||
| 182 | P | 68.9 | Low | 83.3 | Confident | 127 Ų | 127 | 100.2 Ų | 100.2 | 83% | 0.825 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -48.2 | 127.1 | -179.8 | 20.3 | -31.7 | 0 | 0 | 0 | 109.7 | K184 | P182-K184 PolarHBondContact O-N 3.4Š|
| 183 | V | 77 | Confident | 83.2 | Confident | 76 Ų | 76 | 95.4 Ų | 95.4 | 46% | 0.461 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -52 | 125.7 | -178.4 | -74.5 | 0 | 0 | 0 | 0 | 108.9 | G181 H185 E237 | G181-V183 PolarHBondContact O-N 3.5Å; G181-V183 VanDerWaalsContact O-N 3.11Å; V183-H185 VanDerWaalsContact CG2-CE1 3.48Å; V183-H185 WeakPolarHBondContact CG2-CE1 3.46Å; V183-H185 PolarHBondContact O-ND1 3.17Å; V183-E237 HydrophobicContact CG2-CG 4.47Å |
| 184 | K | 85 | Confident | 83.2 | Confident | 133 Ų | 133 | 97.2 Ų | 97.2 | 58% | 0.578 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 137.8 | 177.6 | -68.6 | -179.2 | -179.3 | 178.2 | 0 | 107.7 | P182 L238 | P182-K184 PolarHBondContact O-N 3.4Å; K184-L238 HydrophobicContact CB-CB 4.09Å; K184-L238 HydrophobicContact CB-CD1 3.98Å; K184-L238 WeakPolarHBondContact O-CB 3.24Å; K184-L238 PolarHBondContact O-N 2.91Å |
| 185 | H | 89.4 | Confident | 83.3 | Confident | 68 Ų | 68 | 100.3 Ų | 100.3 | 32% | 0.315 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 142.2 | 175.4 | -69.4 | 77.8 | 0 | 0 | 0 | 109.6 | V183 Y187 R236 E237 | V183-H185 VanDerWaalsContact CG2-CE1 3.48Å; V183-H185 WeakPolarHBondContact CG2-CE1 3.46Å; V183-H185 PolarHBondContact O-ND1 3.17Å; H185-Y187 HydrophobicContact CB-CD2 4.41Å; H185-Y187 HydrophobicContact CB-CE2 3.66Å; H185-R236 CarbonylContact C-O 3.55Å; H185-R236 WeakPolarHBondContact CA-O 3.37Å; H185-E237 VanDerWaalsContact NE2-CG 3.29Å; H185-E237 WeakPolarHBondContact NE2-CG 3.45Å; H185-E237 IonicContact NE2-OE1 3.99Å |
| 186 | V | 93.3 | Very high | 83.6 | Confident | 56 Ų | 56 | 99.6 Ų | 99.6 | 34% | 0.339 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.4 | 166.5 | 175.8 | 0 | 0 | 0 | 0 | 107.8 | W208 S235 R236 L238 | V186-W208 HydrophobicContact CG1-CH2 4.17Å; V186-S235 CarbonylContact O-C 3.6Å; V186-S235 VanDerWaalsContact O-CA 3.26Å; V186-S235 WeakPolarHBondContact O-CA 3.26Å; V186-R236 PolarHBondContact N-O 3.41Å; V186-R236 PolarHBondContact O-N 2.92Å; V186-L238 HydrophobicContact CG2-CD1 3.4Å; V186-L238 HydrophobicContact CG2-CD2 4.09Å; V186-L238 HydrophobicContact CG2-CG 3.68Å |
| 187 | Y | 95.5 | Very high | 84 | Confident | 132 Ų | 132 | 97.1 Ų | 97.1 | 52% | 0.518 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 144.6 | 176.3 | -62.9 | -90.8 | 0 | 0 | 0 | 110.4 | H185 E211 V233 V234 | H185-Y187 HydrophobicContact CB-CD2 4.41Å; H185-Y187 HydrophobicContact CB-CE2 3.66Å; Y187-E211 HydrophobicContact CD1-CG 4.38Å; Y187-E211 HydrophobicContact CE1-CG 4.13Å; Y187-V233 HydrophobicContact CD1-CG1 4.35Å; Y187-V234 CarbonylContact C-O 3.56Å; Y187-V234 VanDerWaalsContact CA-O 3.27Å; Y187-V234 WeakPolarHBondContact CA-O 3.49Å |
| 188 | R | 94.8 | Very high | 84.7 | Confident | 142 Ų | 142 | 92.5 Ų | 92.5 | 54% | 0.536 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 150.1 | 166.3 | -73 | -179.6 | -176.8 | 173.7 | -2.1 | 109.1 | W208 V233 V234 | R188-W208 HydrophobicContact CB-CH2 4.06Å; R188-W208 HydrophobicContact CB-CZ3 3.81Å; R188-W208 HydrophobicContact CG-CH2 3.39Å; R188-W208 HydrophobicContact CG-CZ2 4.27Å; R188-W208 HydrophobicContact CG-CZ3 3.66Å; R188-W208 VanDerWaalsContact NE-CH2 3.28Å; R188-V233 WeakPolarHBondContact O-CA 3.25Å; R188-V234 HydrophobicContact CB-CG2 3.77Å; R188-V234 PolarHBondContact N-O 3.39Å; R188-V234 WeakPolarHBondContact O-CG2 3.39Å; R188-V234 PolarHBondContact O-N 3.42Å |
| 189 | V | 95 | Very high | 85.6 | Confident | 89 Ų | 89 | 93.4 Ų | 93.4 | 54% | 0.539 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.1 | 172.6 | -174.1 | 0 | 0 | 0 | 0 | 107.1 | L231 C232 V233 | V189-L231 HydrophobicContact CG1-CB 3.82Å; V189-L231 HydrophobicContact CG1-CD1 4.27Å; V189-L231 HydrophobicContact CG1-CD2 4.12Å; V189-L231 HydrophobicContact CG1-CG 4.27Å; V189-C232 WeakPolarHBondContact CA-O 3.27Å; V189-V233 HydrophobicContact CG2-CG2 4.35Å |
| 190 | L | 93.3 | Very high | 86.8 | Confident | 61 Ų | 61 | 90.6 Ų | 90.6 | 32% | 0.319 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131.5 | 178.9 | -54.1 | 177.2 | 0 | 0 | 0 | 108.3 | M200 L231 C232 V234 | L190-M200 HydrophobicContact CB-SD 3.78Å; L190-M200 HydrophobicContact CD1-CG 4.34Å; L190-M200 HydrophobicContact CD1-SD 4.04Å; L190-L231 CarbonylContact O-C 3.59Å; L190-L231 WeakPolarHBondContact O-CA 3.09Å; L190-C232 HydrophobicContact CB-CB 4.35Å; L190-C232 PolarHBondContact N-O 3.06Å; L190-C232 PolarHBondContact O-N 3.43Å; L190-V234 HydrophobicContact CD1-CG1 4.4Å; L190-V234 HydrophobicContact CD1-CG2 4.28Å; L190-V234 HydrophobicContact CG-CG2 4.37Å |
| 191 | Q | 91.9 | Very high | 88.2 | Confident | 127 Ų | 127 | 87.5 Ų | 87.5 | 59% | 0.593 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 136.2 | 171.7 | -173.7 | 179.8 | 4.5 | 0 | 0 | 108.5 | E229 F230 L231 | Q191-E229 PolarHBondContact NE2-OE2 2.83Å; Q191-F230 WeakPolarHBondContact CA-O 3.38Å; Q191-L231 HydrophobicContact CB-CD2 4.03Å; Q191-L231 HydrophobicContact CG-CD2 4.17Å |
| 192 | C | 89.7 | Confident | 89.5 | Confident | 7 Ų | 7 | 89.8 Ų | 89.8 | 5% | 0.047 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 155.1 | 176.3 | 59.5 | 0 | 0 | 0 | 0 | 110.7 | E196 M200 F230 | C192-E196 HydrophobicContact CB-CB 4.49Å; C192-M200 HydrophobicContact CB-CE 4.42Å; C192-M200 HydrophobicContact CB-SD 3.75Å; C192-M200 VanDerWaalsContact SG-CE 3.56Å; C192-M200 VanDerWaalsContact SG-SD 3.63Å; C192-F230 PolarHBondContact N-O 2.98Å; C192-F230 PolarHBondContact O-N 2.97Å |
| 193 | Q | 89.7 | Confident | 90.6 | Very high | 52 Ų | 52 | 88.3 Ų | 88.3 | 24% | 0.243 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 158 | 168.9 | -60.1 | -175.3 | -1 | 0 | 0 | 110.3 | E195 E196 L197 | Q193-E195 HydrophobicContact CB-CG 4.17Å; Q193-E195 PolarHBondContact O-N 3.33Å; Q193-E196 PolarHBondContact O-N 3.09Å; Q193-L197 PolarHBondContact O-N 3.39Å; Q193-L197 VanDerWaalsContact O-N 3.14Å |
| 194 | E | 88.9 | Confident | 91.3 | Very high | 120 Ų | 120 | 86.7 Ų | 86.7 | 56% | 0.561 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -50.7 | -43.4 | 178.2 | -171.1 | 172.4 | 178.8 | 0 | 0 | 112.8 | E196 L197 A228 F230 | E194-E196 VanDerWaalsContact C-N 3.29Å; E194-E196 PolarHBondContact O-N 3.38Å; E194-L197 WeakPolarHBondContact O-CB 3.27Å; E194-L197 PolarHBondContact O-N 3.08Å; E194-A228 HydrophobicContact CB-CB 4.22Å; E194-A228 PolarHBondContact N-O 2.99Å; E194-A228 WeakPolarHBondContact OE2-CB 3.18Å; E194-F230 HydrophobicContact CB-CD2 4.44Å; E194-F230 HydrophobicContact CB-CE2 3.79Å; E194-F230 HydrophobicContact CG-CE2 3.93Å |
| 195 | E | 89.5 | Confident | 91.5 | Very high | 147 Ų | 147 | 84.3 Ų | 84.3 | 69% | 0.687 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -67.7 | -25.3 | -179.3 | 59 | -167.5 | -129.3 | 0 | 0 | 113.9 | Q193 | Q193-E195 HydrophobicContact CB-CG 4.17Å; Q193-E195 PolarHBondContact O-N 3.33Å |
| 196 | E | 90.9 | Very high | 91.6 | Very high | 96 Ų | 96 | 88.5 Ų | 88.5 | 45% | 0.449 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -94.4 | -13.4 | 180 | -60.2 | -174.7 | 142.4 | 0 | 0 | 113 | C192 Q193 E194 T198 Q199 M200 | C192-E196 HydrophobicContact CB-CB 4.49Å; Q193-E196 PolarHBondContact O-N 3.09Å; E194-E196 VanDerWaalsContact C-N 3.29Å; E194-E196 PolarHBondContact O-N 3.38Å; E196-T198 PolarHBondContact O-N 3.38Å; E196-Q199 PolarHBondContact O-N 3.13Å; E196-Q199 VanDerWaalsContact O-N 3.13Å; E196-M200 WeakPolarHBondContact O-CB 3.38Å; E196-M200 PolarHBondContact O-N 3.26Å |
| 197 | L | 89.7 | Confident | 91.4 | Very high | 32 Ų | 32 | 87.6 Ų | 87.6 | 17% | 0.168 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -55 | -48 | -171.1 | 175.5 | 60.6 | 0 | 0 | 0 | 112.6 | Q193 E194 Q199 M200 V201 L213 | Q193-L197 PolarHBondContact O-N 3.39Å; Q193-L197 VanDerWaalsContact O-N 3.14Å; E194-L197 WeakPolarHBondContact O-CB 3.27Å; E194-L197 PolarHBondContact O-N 3.08Å; L197-Q199 VanDerWaalsContact C-N 3.35Å; L197-Q199 PolarHBondContact O-N 3.15Å; L197-M200 HydrophobicContact CD1-CE 3.76Å; L197-M200 PolarHBondContact O-N 3.01Å; L197-V201 HydrophobicContact CD1-CG2 4.19Å; L197-V201 WeakPolarHBondContact O-CG2 3.38Å; L197-V201 PolarHBondContact O-N 3.21Å; L197-L213 HydrophobicContact CD1-CD1 3.59Å; L197-L213 HydrophobicContact CD1-CD2 4.15Å; L197-L213 HydrophobicContact CD2-CD2 3.65Å |
| 198 | T | 91.9 | Very high | 91.3 | Very high | 104 Ų | 104 | 83 Ų | 83 | 64% | 0.638 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.3 | -41.2 | -178.3 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | E196 S202 | E196-T198 PolarHBondContact O-N 3.38Å; T198-S202 VanDerWaalsContact O-CB 3.26Å; T198-S202 WeakPolarHBondContact O-CB 3.34Å; T198-S202 PolarHBondContact O-N 3.26Å; T198-S202 PolarHBondContact O-OG 3.29Å |
| 199 | Q | 92.3 | Very high | 91.2 | Very high | 130 Ų | 130 | 81.3 Ų | 81.3 | 61% | 0.607 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.2 | -49 | 177.2 | -173.8 | 173 | 24.3 | 0 | 0 | 110.4 | E196 L197 V201 S202 T203 | E196-Q199 PolarHBondContact O-N 3.13Å; E196-Q199 VanDerWaalsContact O-N 3.13Å; L197-Q199 VanDerWaalsContact C-N 3.35Å; L197-Q199 PolarHBondContact O-N 3.15Å; Q199-V201 PolarHBondContact O-N 2.82Å; Q199-S202 PolarHBondContact O-N 2.71Å; Q199-T203 HydrophobicContact CG-CG2 4.29Å; Q199-T203 WeakPolarHBondContact O-CG2 3.36Å; Q199-T203 PolarHBondContact O-N 3.32Å; Q199-T203 PolarHBondContact O-OG1 3.02Å |
| 200 | M | 90.8 | Very high | 91.2 | Very high | 33 Ų | 33 | 81.8 Ų | 81.8 | 16% | 0.163 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -57.5 | -45.6 | 179.7 | 178.4 | -155.3 | 62.5 | 0 | 0 | 112 | L190 C192 E196 L197 M204 C232 | L190-M200 HydrophobicContact CB-SD 3.78Å; L190-M200 HydrophobicContact CD1-CG 4.34Å; L190-M200 HydrophobicContact CD1-SD 4.04Å; C192-M200 HydrophobicContact CB-CE 4.42Å; C192-M200 HydrophobicContact CB-SD 3.75Å; C192-M200 VanDerWaalsContact SG-CE 3.56Å; C192-M200 VanDerWaalsContact SG-SD 3.63Å; E196-M200 WeakPolarHBondContact O-CB 3.38Å; E196-M200 PolarHBondContact O-N 3.26Å; L197-M200 HydrophobicContact CD1-CE 3.76Å; L197-M200 PolarHBondContact O-N 3.01Å; M200-M204 PolarHBondContact O-N 3.28Å; M200-C232 HydrophobicContact CE-CB 3.44Å; M200-C232 VanDerWaalsContact CE-CB 3.44Å; M200-C232 VanDerWaalsContact CE-SG 3.59Å; M200-C232 HydrophobicContact SD-CB 4.13Å |
| 201 | V | 90.6 | Very high | 91.2 | Very high | 59 Ų | 59 | 83.3 Ų | 83.3 | 36% | 0.358 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.8 | -40.2 | 177.9 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | L197 Q199 M204 | L197-V201 HydrophobicContact CD1-CG2 4.19Å; L197-V201 WeakPolarHBondContact O-CG2 3.38Å; L197-V201 PolarHBondContact O-N 3.21Å; Q199-V201 PolarHBondContact O-N 2.82Å; V201-M204 WeakPolarHBondContact O-CB 3.43Å; V201-M204 PolarHBondContact O-N 3.25Å |
| 202 | S | 91.5 | Very high | 91.4 | Very high | 94 Ų | 94 | 82.7 Ų | 82.7 | 66% | 0.657 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -70.8 | -32.1 | -178.7 | -58 | 0 | 0 | 0 | 0 | 113.4 | T198 Q199 | T198-S202 VanDerWaalsContact O-CB 3.26Å; T198-S202 WeakPolarHBondContact O-CB 3.34Å; T198-S202 PolarHBondContact O-N 3.26Å; T198-S202 PolarHBondContact O-OG 3.29Å; Q199-S202 PolarHBondContact O-N 2.71Å |
| 203 | T | 92.7 | Very high | 91.6 | Very high | 96 Ų | 96 | 85.3 Ų | 85.3 | 59% | 0.589 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 11.8 | 178.8 | 64.5 | 0 | 0 | 0 | 0 | 112.8 | Q199 S205 | Q199-T203 HydrophobicContact CG-CG2 4.29Å; Q199-T203 WeakPolarHBondContact O-CG2 3.36Å; Q199-T203 PolarHBondContact O-N 3.32Å; Q199-T203 PolarHBondContact O-OG1 3.02Å; T203-S205 PolarHBondContact O-N 2.95Å |
| 204 | M | 90.9 | Very high | 91.8 | Very high | 42 Ų | 42 | 86.1 Ų | 86.1 | 21% | 0.207 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 134.2 | 177.9 | -163.2 | -179.7 | -57.7 | 0 | 0 | 109.6 | M200 V201 W208 V234 | M200-M204 PolarHBondContact O-N 3.28Å; V201-M204 WeakPolarHBondContact O-CB 3.43Å; V201-M204 PolarHBondContact O-N 3.25Å; M204-W208 HydrophobicContact CG-CB 3.72Å; M204-W208 HydrophobicContact CG-CG 4.47Å; M204-W208 HydrophobicContact SD-CB 3.54Å; M204-W208 VanDerWaalsContact SD-CB 3.54Å; M204-V234 HydrophobicContact CE-CG1 3.43Å; M204-V234 VanDerWaalsContact CE-CG1 3.43Å; M204-V234 HydrophobicContact SD-CB 4.16Å; M204-V234 HydrophobicContact SD-CG1 3.6Å |
| 205 | S | 89.7 | Confident | 91.8 | Very high | 83 Ų | 83 | 83.9 Ų | 83.9 | 58% | 0.58 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 149.2 | -177.8 | -50.1 | 0 | 0 | 0 | 0 | 111.1 | T203 W208 | T203-S205 PolarHBondContact O-N 2.95Å; S205-W208 PolarHBondContact O-N 2.87Å |
| 206 | D | 90.2 | Very high | 91.6 | Very high | 156 Ų | 156 | 80.5 Ų | 80.5 | 83% | 0.834 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 145 | 178.7 | -172.4 | 25.8 | 0 | 0 | 0 | 112.3 | W208 | D206-W208 VanDerWaalsContact C-N 3.28Å; D206-W208 PolarHBondContact O-N 2.92Å |
| 207 | G | 90.6 | Very high | 90.6 | Very high | 37 Ų | 37 | 78 Ų | 78 | 38% | 0.381 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | -5.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R236 | G207-R236 VanDerWaalsContact O-CG 3.31Å; G207-R236 WeakPolarHBondContact O-CG 3.11Å |
| 208 | W | 93.8 | Very high | 89.3 | Confident | 37 Ų | 37 | 79.3 Ų | 79.3 | 14% | 0.14 | 45% | 0.451 | C | S | . | . | trans | -87 | 134.4 | 169.6 | -68.7 | 87.1 | 0 | 0 | 0 | 110.7 | V186 R188 M204 S205 D206 V234 S235 R236 | V186-W208 HydrophobicContact CG1-CH2 4.17Å; R188-W208 HydrophobicContact CB-CH2 4.06Å; R188-W208 HydrophobicContact CB-CZ3 3.81Å; R188-W208 HydrophobicContact CG-CH2 3.39Å; R188-W208 HydrophobicContact CG-CZ2 4.27Å; R188-W208 HydrophobicContact CG-CZ3 3.66Å; R188-W208 VanDerWaalsContact NE-CH2 3.28Å; M204-W208 HydrophobicContact CG-CB 3.72Å; M204-W208 HydrophobicContact CG-CG 4.47Å; M204-W208 HydrophobicContact SD-CB 3.54Å; M204-W208 VanDerWaalsContact SD-CB 3.54Å; S205-W208 PolarHBondContact O-N 2.87Å; D206-W208 VanDerWaalsContact C-N 3.28Å; D206-W208 PolarHBondContact O-N 2.92Å; W208-V234 HydrophobicContact CD2-CG2 4.27Å; W208-V234 HydrophobicContact CE3-CB 3.91Å; W208-V234 HydrophobicContact CE3-CG2 3.42Å; W208-V234 VanDerWaalsContact CE3-CG2 3.42Å; W208-V234 HydrophobicContact CZ3-CG2 3.84Å; W208-S235 CarbonylContact C-O 3.58Å; W208-S235 VanDerWaalsContact CA-O 3.3Å; W208-S235 WeakPolarHBondContact CA-O 3.39Å; W208-R236 HydrophobicContact CD2-CB 4.03Å; W208-R236 HydrophobicContact CE3-CB 3.95Å; W208-R236 HydrophobicContact CH2-CB 4.25Å; W208-R236 HydrophobicContact CZ2-CB 4.37Å; W208-R236 HydrophobicContact CZ3-CB 4.07Å | ||
| 209 | K | 92.8 | Very high | 87.6 | Confident | 105 Ų | 105 | 79.4 Ų | 79.4 | 46% | 0.457 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 137 | 175.4 | -63.6 | -178.4 | 180 | 174.8 | 0 | 108.7 | V234 S235 E237 | K209-V234 CarbonylContact O-C 3.42Å; K209-V234 WeakPolarHBondContact O-CA 3.47Å; K209-V234 WeakPolarHBondContact O-CB 3.32Å; K209-S235 PolarHBondContact N-O 2.66Å; K209-S235 PolarHBondContact O-N 3.2Å; K209-E237 IonicContact NZ-OE1 2.65Å; K209-E237 PolarHBondContact NZ-OE1 2.75Å |
| 210 | F | 93.6 | Very high | 85.7 | Confident | 100 Ų | 100 | 83.8 Ų | 83.8 | 44% | 0.439 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 130.1 | 168.7 | 173.5 | -92.8 | 0 | 0 | 0 | 109.7 | Q212 L213 C232 | F210-Q212 VanDerWaalsContact CZ-C 3.44Å; F210-L213 HydrophobicContact CE2-CB 3.88Å; F210-L213 HydrophobicContact CZ-CB 3.63Å; F210-C232 VanDerWaalsContact CD2-SG 3.51Å |
| 211 | E | 94.3 | Very high | 84 | Confident | 92 Ų | 92 | 87.2 Ų | 87.2 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -50.9 | 179.4 | -66.1 | -69.1 | 151.5 | 0 | 0 | 111.6 | Y187 V233 S235 | Y187-E211 HydrophobicContact CD1-CG 4.38Å; Y187-E211 HydrophobicContact CE1-CG 4.13Å; E211-V233 HydrophobicContact CB-CB 4.28Å; E211-V233 HydrophobicContact CB-CG1 4.11Å; E211-V233 WeakPolarHBondContact CB-O 3.45Å; E211-V233 PolarHBondContact N-O 2.94Å; E211-S235 VanDerWaalsContact OE1-CB 3.23Å; E211-S235 WeakPolarHBondContact OE1-CB 3.38Å; E211-S235 PolarHBondContact OE1-OG 2.77Å |
| 212 | Q | 95.3 | Very high | 82.1 | Confident | 114 Ų | 114 | 95.9 Ų | 95.9 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 143.3 | -172.9 | -172.8 | 169.5 | 70.3 | 0 | 0 | 111.7 | F210 I214 C232 V233 | F210-Q212 VanDerWaalsContact CZ-C 3.44Å; Q212-I214 HydrophobicContact CG-CG1 4.02Å; Q212-C232 CarbonylContact O-C 3.6Å; Q212-V233 HydrophobicContact CB-CB 4.11Å; Q212-V233 HydrophobicContact CB-CG2 4.21Å; Q212-V233 PolarHBondContact N-O 3.35Å; Q212-V233 PolarHBondContact O-N 2.88Å |
| 213 | L | 94.4 | Very high | 80.5 | Confident | 62 Ų | 62 | 95 Ų | 95 | 33% | 0.325 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.4 | 169.6 | -171.2 | 73.1 | 0 | 0 | 0 | 108.8 | L197 F210 F230 L231 C232 | L197-L213 HydrophobicContact CD1-CD1 3.59Å; L197-L213 HydrophobicContact CD1-CD2 4.15Å; L197-L213 HydrophobicContact CD2-CD2 3.65Å; F210-L213 HydrophobicContact CE2-CB 3.88Å; F210-L213 HydrophobicContact CZ-CB 3.63Å; L213-F230 HydrophobicContact CD1-CB 3.68Å; L213-F230 HydrophobicContact CD1-CD1 4.14Å; L213-F230 HydrophobicContact CD1-CG 4.17Å; L213-F230 HydrophobicContact CD2-CD1 3.75Å; L213-F230 HydrophobicContact CD2-CE1 4.09Å; L213-F230 HydrophobicContact CD2-CG 4.34Å; L213-F230 HydrophobicContact CG-CB 4.22Å; L213-F230 HydrophobicContact CG-CD1 3.73Å; L213-F230 HydrophobicContact CG-CE1 4.49Å; L213-F230 HydrophobicContact CG-CG 4.27Å; L213-L231 CarbonylContact C-O 3.54Å; L213-L231 WeakPolarHBondContact CA-O 3.42Å; L213-C232 HydrophobicContact CD1-CB 3.98Å |
| 214 | I | 93.6 | Very high | 78.7 | Confident | 69 Ų | 69 | 96.2 Ų | 96.2 | 35% | 0.354 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 118.4 | -177.9 | -52.3 | 171.1 | 0 | 0 | 0 | 107.3 | Q212 F230 L231 V233 | Q212-I214 HydrophobicContact CG-CG1 4.02Å; I214-F230 CarbonylContact O-C 3.49Å; I214-F230 VanDerWaalsContact O-CA 3.29Å; I214-F230 WeakPolarHBondContact O-CA 3.49Å; I214-L231 HydrophobicContact CB-CB 4.26Å; I214-L231 PolarHBondContact N-O 2.88Å; I214-L231 PolarHBondContact O-N 2.77Å; I214-V233 HydrophobicContact CD1-CG2 4.27Å |
| 215 | S | 89.7 | Confident | 77.1 | Confident | 74 Ų | 74 | 102.5 Ų | 102.5 | 52% | 0.517 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.6 | 128.1 | 172 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | ||
| 216 | I | 84.2 | Confident | 75.8 | Confident | 75 Ų | 75 | 103.5 Ų | 103.5 | 39% | 0.385 | 55% | 0.551 | S | S | . | * | trans | -104.8 | 45.6 | 176.4 | -31.9 | 170 | 0 | 0 | 0 | 109.6 | E229 L231 | I216-E229 PolarHBondContact N-O 2.86Å; I216-L231 HydrophobicContact CD1-CD1 3.96Å; I216-L231 HydrophobicContact CD1-CD2 3.42Å; I216-L231 VanDerWaalsContact CD1-CD2 3.42Å; I216-L231 HydrophobicContact CD1-CG 3.31Å; I216-L231 HydrophobicContact CG1-CD1 4.31Å; I216-L231 HydrophobicContact CG1-CD2 4.39Å; I216-L231 HydrophobicContact CG1-CG 3.75Å | ||
| 217 | G | 69.9 | Low | 74.7 | Confident | 45 Ų | 45 | 100.4 Ų | 100.4 | 46% | 0.464 | 53% | 0.532 | S | S | . | . | trans | -31.4 | 140.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | S219 | G217-S219 PolarHBondContact O-N 3.3Å; G217-S219 VanDerWaalsContact O-N 3.15Å | ||
| 218 | S | 61.9 | Low | 74.1 | Confident | 58 Ų | 58 | 99.6 Ų | 99.6 | 41% | 0.406 | 52% | 0.522 | S | S | . | . | trans | -53.8 | 119.8 | -175.8 | 52.8 | 0 | 0 | 0 | 0 | 111 | Y220 D226 | S218-Y220 VanDerWaalsContact C-N 3.34Å; S218-Y220 PolarHBondContact O-N 3.05Å; S218-D226 WeakPolarHBondContact CB-OD1 3.46Å; S218-D226 PolarHBondContact OG-OD1 3.26Å | ||
| 219 | S | 56.9 | Low | 73.9 | Confident | 107 Ų | 107 | 101.3 Ų | 101.3 | 75% | 0.748 | 53% | 0.531 | S | S | * | . | trans | -75 | 92.2 | 173.5 | -11.2 | 0 | 0 | 0 | 0 | 107.6 | G217 | G217-S219 PolarHBondContact O-N 3.3Å; G217-S219 VanDerWaalsContact O-N 3.15Å | ||
| 220 | Y | 52.7 | Low | 73.7 | Confident | 222 Ų | 222 | 97.8 Ų | 97.8 | 87% | 0.871 | 52% | 0.516 | S | S | * | . | trans | 46.4 | 73.9 | 166.1 | -60.4 | -83.8 | 0 | 0 | 0 | 115.9 | S218 | S218-Y220 VanDerWaalsContact C-N 3.34Å; S218-Y220 PolarHBondContact O-N 3.05Å | ||
| 221 | N | 55.2 | Low | 73.7 | Confident | 104 Ų | 104 | 95.4 Ų | 95.4 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | trans | -105.6 | 90.1 | 167.6 | -120.5 | 44.8 | 0 | 0 | 0 | 110.7 | G223 | N221-G223 PolarHBondContact O-N 3.39Å; N221-G223 VanDerWaalsContact O-N 3.13Å | ||
| 222 | Y | 50.9 | Low | 73.6 | Confident | 242 Ų | 242 | 91 Ų | 91 | 95% | 0.949 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 105.3 | 167.6 | -117.3 | -96 | 0 | 0 | 0 | 108.8 | ||
| 223 | G | 57.8 | Low | 73.7 | Confident | 74 Ų | 74 | 86.9 Ų | 86.9 | 76% | 0.763 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.7 | 17.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | N221 | N221-G223 PolarHBondContact O-N 3.39Å; N221-G223 VanDerWaalsContact O-N 3.13Å |
| 224 | N | 54.9 | Low | 73.7 | Confident | 123 Ų | 123 | 84 Ų | 84 | 66% | 0.658 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -144.5 | 138.6 | 162.1 | -117.4 | -47.5 | 0 | 0 | 0 | 108.1 | D226 | N224-D226 PolarHBondContact O-N 3.09Å; N224-D226 VanDerWaalsContact O-N 3.11Å |
| 225 | E | 58 | Low | 73.8 | Confident | 174 Ų | 174 | 80.7 Ų | 80.7 | 81% | 0.813 | 44% | 0.437 | S | S | * | . | trans | -35.8 | 112.8 | -172.5 | -66.6 | 170.5 | 129.6 | 0 | 0 | 111.7 | Q227 | E225-Q227 VanDerWaalsContact C-N 3.35Å; E225-Q227 PolarHBondContact O-N 2.67Å | ||
| 226 | D | 61.6 | Low | 73.9 | Confident | 104 Ų | 104 | 82.9 Ų | 82.9 | 56% | 0.556 | 43% | 0.434 | S | S | * | . | trans | -60.3 | 94.1 | 179.2 | -91.8 | -53.5 | 0 | 0 | 0 | 109.2 | S218 N224 A228 | S218-D226 WeakPolarHBondContact CB-OD1 3.46Å; S218-D226 PolarHBondContact OG-OD1 3.26Å; N224-D226 PolarHBondContact O-N 3.09Å; N224-D226 VanDerWaalsContact O-N 3.11Å; D226-A228 PolarHBondContact O-N 2.77Å | ||
| 227 | Q | 66.5 | Low | 74.2 | Confident | 91 Ų | 91 | 83.4 Ų | 83.4 | 43% | 0.425 | 44% | 0.435 | S | S | . | . | trans | -80.5 | 106.1 | 170.1 | -69.4 | -176.6 | -5.7 | 0 | 0 | 107.8 | E225 E229 | E225-Q227 VanDerWaalsContact C-N 3.35Å; E225-Q227 PolarHBondContact O-N 2.67Å; Q227-E229 PolarHBondContact O-N 3.42Å | ||
| 228 | A | 79.2 | Confident | 74.7 | Confident | 20 Ų | 20 | 85.2 Ų | 85.2 | 17% | 0.165 | 43% | 0.434 | C | S | . | . | trans | -67.8 | 130.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | E194 D226 F230 | E194-A228 HydrophobicContact CB-CB 4.22Å; E194-A228 PolarHBondContact N-O 2.99Å; E194-A228 WeakPolarHBondContact OE2-CB 3.18Å; D226-A228 PolarHBondContact O-N 2.77Å; A228-F230 HydrophobicContact CB-CE2 4.1Å; A228-F230 HydrophobicContact CB-CZ 4.5Å | ||
| 229 | E | 87.8 | Confident | 75.1 | Confident | 73 Ų | 73 | 88.5 Ų | 88.5 | 34% | 0.341 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 146.5 | 175.9 | -65.4 | -169.1 | 165.9 | 0 | 0 | 111.3 | Q191 I216 Q227 | Q191-E229 PolarHBondContact NE2-OE2 2.83Å; I216-E229 PolarHBondContact N-O 2.86Å; Q227-E229 PolarHBondContact O-N 3.42Å |
| 230 | F | 90.2 | Very high | 75.1 | Confident | 30 Ų | 30 | 88.6 Ų | 88.6 | 13% | 0.132 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 143.8 | 179.1 | -64.2 | -90.4 | 0 | 0 | 0 | 112.1 | Q191 C192 E194 L213 I214 A228 | Q191-F230 WeakPolarHBondContact CA-O 3.38Å; C192-F230 PolarHBondContact N-O 2.98Å; C192-F230 PolarHBondContact O-N 2.97Å; E194-F230 HydrophobicContact CB-CD2 4.44Å; E194-F230 HydrophobicContact CB-CE2 3.79Å; E194-F230 HydrophobicContact CG-CE2 3.93Å; L213-F230 HydrophobicContact CD1-CB 3.68Å; L213-F230 HydrophobicContact CD1-CD1 4.14Å; L213-F230 HydrophobicContact CD1-CG 4.17Å; L213-F230 HydrophobicContact CD2-CD1 3.75Å; L213-F230 HydrophobicContact CD2-CE1 4.09Å; L213-F230 HydrophobicContact CD2-CG 4.34Å; L213-F230 HydrophobicContact CG-CB 4.22Å; L213-F230 HydrophobicContact CG-CD1 3.73Å; L213-F230 HydrophobicContact CG-CE1 4.49Å; L213-F230 HydrophobicContact CG-CG 4.27Å; I214-F230 CarbonylContact O-C 3.49Å; I214-F230 VanDerWaalsContact O-CA 3.29Å; I214-F230 WeakPolarHBondContact O-CA 3.49Å; A228-F230 HydrophobicContact CB-CE2 4.1Å; A228-F230 HydrophobicContact CB-CZ 4.5Å |
| 231 | L | 93.7 | Very high | 75 | Confident | 51 Ų | 51 | 81.5 Ų | 81.5 | 27% | 0.267 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 122.6 | 160.3 | -56.7 | 179 | 0 | 0 | 0 | 109.6 | V189 L190 Q191 L213 I214 I216 | V189-L231 HydrophobicContact CG1-CB 3.82Å; V189-L231 HydrophobicContact CG1-CD1 4.27Å; V189-L231 HydrophobicContact CG1-CD2 4.12Å; V189-L231 HydrophobicContact CG1-CG 4.27Å; L190-L231 CarbonylContact O-C 3.59Å; L190-L231 WeakPolarHBondContact O-CA 3.09Å; Q191-L231 HydrophobicContact CB-CD2 4.03Å; Q191-L231 HydrophobicContact CG-CD2 4.17Å; L213-L231 CarbonylContact C-O 3.54Å; L213-L231 WeakPolarHBondContact CA-O 3.42Å; I214-L231 HydrophobicContact CB-CB 4.26Å; I214-L231 PolarHBondContact N-O 2.88Å; I214-L231 PolarHBondContact O-N 2.77Å; I216-L231 HydrophobicContact CD1-CD1 3.96Å; I216-L231 HydrophobicContact CD1-CD2 3.42Å; I216-L231 VanDerWaalsContact CD1-CD2 3.42Å; I216-L231 HydrophobicContact CD1-CG 3.31Å; I216-L231 HydrophobicContact CG1-CD1 4.31Å; I216-L231 HydrophobicContact CG1-CD2 4.39Å; I216-L231 HydrophobicContact CG1-CG 3.75Å |
| 232 | C | 92.5 | Very high | 74.5 | Confident | 0 Ų | 0 | 82.4 Ų | 82.4 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 110.5 | 173.6 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | V189 L190 M200 F210 Q212 L213 | V189-C232 WeakPolarHBondContact CA-O 3.27Å; L190-C232 HydrophobicContact CB-CB 4.35Å; L190-C232 PolarHBondContact N-O 3.06Å; L190-C232 PolarHBondContact O-N 3.43Å; M200-C232 HydrophobicContact CE-CB 3.44Å; M200-C232 VanDerWaalsContact CE-CB 3.44Å; M200-C232 VanDerWaalsContact CE-SG 3.59Å; M200-C232 HydrophobicContact SD-CB 4.13Å; F210-C232 VanDerWaalsContact CD2-SG 3.51Å; Q212-C232 CarbonylContact O-C 3.6Å; L213-C232 HydrophobicContact CD1-CB 3.98Å |
| 233 | V | 95.8 | Very high | 73.9 | Confident | 26 Ų | 26 | 77.5 Ų | 77.5 | 16% | 0.158 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 125.9 | 172.7 | -172.1 | 0 | 0 | 0 | 0 | 108.2 | Y187 R188 V189 E211 Q212 I214 | Y187-V233 HydrophobicContact CD1-CG1 4.35Å; R188-V233 WeakPolarHBondContact O-CA 3.25Å; V189-V233 HydrophobicContact CG2-CG2 4.35Å; E211-V233 HydrophobicContact CB-CB 4.28Å; E211-V233 HydrophobicContact CB-CG1 4.11Å; E211-V233 WeakPolarHBondContact CB-O 3.45Å; E211-V233 PolarHBondContact N-O 2.94Å; Q212-V233 HydrophobicContact CB-CB 4.11Å; Q212-V233 HydrophobicContact CB-CG2 4.21Å; Q212-V233 PolarHBondContact N-O 3.35Å; Q212-V233 PolarHBondContact O-N 2.88Å; I214-V233 HydrophobicContact CD1-CG2 4.27Å |
| 234 | V | 95.5 | Very high | 72.7 | Confident | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.012 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 145.6 | 178.5 | -61.3 | 0 | 0 | 0 | 0 | 109.9 | Y187 R188 L190 M204 W208 K209 | Y187-V234 CarbonylContact C-O 3.56Å; Y187-V234 VanDerWaalsContact CA-O 3.27Å; Y187-V234 WeakPolarHBondContact CA-O 3.49Å; R188-V234 HydrophobicContact CB-CG2 3.77Å; R188-V234 PolarHBondContact N-O 3.39Å; R188-V234 WeakPolarHBondContact O-CG2 3.39Å; R188-V234 PolarHBondContact O-N 3.42Å; L190-V234 HydrophobicContact CD1-CG1 4.4Å; L190-V234 HydrophobicContact CD1-CG2 4.28Å; L190-V234 HydrophobicContact CG-CG2 4.37Å; M204-V234 HydrophobicContact CE-CG1 3.43Å; M204-V234 VanDerWaalsContact CE-CG1 3.43Å; M204-V234 HydrophobicContact SD-CB 4.16Å; M204-V234 HydrophobicContact SD-CG1 3.6Å; W208-V234 HydrophobicContact CD2-CG2 4.27Å; W208-V234 HydrophobicContact CE3-CB 3.91Å; W208-V234 HydrophobicContact CE3-CG2 3.42Å; W208-V234 VanDerWaalsContact CE3-CG2 3.42Å; W208-V234 HydrophobicContact CZ3-CG2 3.84Å; K209-V234 CarbonylContact O-C 3.42Å; K209-V234 WeakPolarHBondContact O-CA 3.47Å; K209-V234 WeakPolarHBondContact O-CB 3.32Å |
| 235 | S | 94.5 | Very high | 71.9 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 158.3 | 176.6 | 79.9 | 0 | 0 | 0 | 0 | 111.7 | V186 W208 K209 E211 | V186-S235 CarbonylContact O-C 3.6Å; V186-S235 VanDerWaalsContact O-CA 3.26Å; V186-S235 WeakPolarHBondContact O-CA 3.26Å; W208-S235 CarbonylContact C-O 3.58Å; W208-S235 VanDerWaalsContact CA-O 3.3Å; W208-S235 WeakPolarHBondContact CA-O 3.39Å; K209-S235 PolarHBondContact N-O 2.66Å; K209-S235 PolarHBondContact O-N 3.2Å; E211-S235 VanDerWaalsContact OE1-CB 3.23Å; E211-S235 WeakPolarHBondContact OE1-CB 3.38Å; E211-S235 PolarHBondContact OE1-OG 2.77Å |
| 236 | R | 92.5 | Very high | 70.9 | Confident | 120 Ų | 120 | 76.7 Ų | 76.7 | 45% | 0.453 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 129.8 | 167.9 | 175.8 | 166 | 178.5 | -179.9 | 1.9 | 109.5 | H185 V186 G207 W208 L238 | H185-R236 CarbonylContact C-O 3.55Å; H185-R236 WeakPolarHBondContact CA-O 3.37Å; V186-R236 PolarHBondContact N-O 3.41Å; V186-R236 PolarHBondContact O-N 2.92Å; G207-R236 VanDerWaalsContact O-CG 3.31Å; G207-R236 WeakPolarHBondContact O-CG 3.11Å; W208-R236 HydrophobicContact CD2-CB 4.03Å; W208-R236 HydrophobicContact CE3-CB 3.95Å; W208-R236 HydrophobicContact CH2-CB 4.25Å; W208-R236 HydrophobicContact CZ2-CB 4.37Å; W208-R236 HydrophobicContact CZ3-CB 4.07Å; R236-L238 PolarHBondContact O-N 2.82Å |
| 237 | E | 90 | Very high | 70 | Confident | 85 Ų | 85 | 78.8 Ų | 78.8 | 40% | 0.397 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 126 | 172.9 | -74 | 171.8 | -142.5 | 0 | 0 | 110.1 | V183 H185 K209 | V183-E237 HydrophobicContact CG2-CG 4.47Å; H185-E237 VanDerWaalsContact NE2-CG 3.29Å; H185-E237 WeakPolarHBondContact NE2-CG 3.45Å; H185-E237 IonicContact NE2-OE1 3.99Å; K209-E237 IonicContact NZ-OE1 2.65Å; K209-E237 PolarHBondContact NZ-OE1 2.75Å |
| 238 | L | 81.7 | Confident | 68.8 | Low | 84 Ų | 84 | 80.7 Ų | 80.7 | 44% | 0.44 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 108 | 165.8 | -72.5 | 164.1 | 0 | 0 | 0 | 107.5 | K184 V186 R236 N240 | K184-L238 HydrophobicContact CB-CB 4.09Å; K184-L238 HydrophobicContact CB-CD1 3.98Å; K184-L238 WeakPolarHBondContact O-CB 3.24Å; K184-L238 PolarHBondContact O-N 2.91Å; V186-L238 HydrophobicContact CG2-CD1 3.4Å; V186-L238 HydrophobicContact CG2-CD2 4.09Å; V186-L238 HydrophobicContact CG2-CG 3.68Å; R236-L238 PolarHBondContact O-N 2.82Å; L238-N240 PolarHBondContact O-N 2.78Å |
| 239 | N | 69.3 | Low | 67 | Low | 126 Ų | 126 | 84.3 Ų | 84.3 | 67% | 0.674 | 47% | 0.468 | S | S | * | . | trans | -67.4 | 119.6 | 162.6 | 52.4 | -3 | 0 | 0 | 0 | 108.1 | S241 | N239-S241 PolarHBondContact O-N 2.95Š| ||
| 240 | N | 56.2 | Low | 65.1 | Low | 110 Ų | 110 | 84.6 Ų | 84.6 | 59% | 0.588 | 48% | 0.478 | S | S | * | . | trans | -74.4 | 37.2 | 176.7 | -152.1 | 64.3 | 0 | 0 | 0 | 111.4 | L238 T242 | L238-N240 PolarHBondContact O-N 2.78Å; N240-T242 PolarHBondContact O-N 3.07Å | ||
| 241 | S | 52.3 | Low | 63.1 | Low | 73 Ų | 73 | 90.5 Ų | 90.5 | 51% | 0.51 | 51% | 0.506 | S | S | . | . | trans | -82.2 | 56.1 | 177.9 | -52.9 | 0 | 0 | 0 | 0 | 109.8 | N239 N243 | N239-S241 PolarHBondContact O-N 2.95Å; S241-N243 PolarHBondContact O-N 3.46Å | ||
| 242 | T | 43.2 | Very low | 60.8 | Low | 122 Ų | 122 | 96.2 Ų | 96.2 | 75% | 0.748 | 53% | 0.529 | S | S | * | . | trans | -76.2 | 68.5 | 164.3 | -30 | 0 | 0 | 0 | 0 | 108.1 | N240 | N240-T242 PolarHBondContact O-N 3.07Š| ||
| 243 | N | 38.8 | Very low | 58.8 | Low | 140 Ų | 140 | 99 Ų | 99 | 75% | 0.749 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -149.2 | 72 | 160.3 | -89.8 | -27.5 | 0 | 0 | 0 | 107.1 | S241 I245 | S241-N243 PolarHBondContact O-N 3.46Å; N243-I245 PolarHBondContact O-N 3.13Å |
| 244 | G | 32.2 | Very low | 56.8 | Low | 83 Ų | 83 | 104.7 Ų | 104.7 | 86% | 0.856 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 61.9 | 17.3 | 132.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||
| 245 | I | 39.3 | Very low | 54.9 | Low | 140 Ų | 140 | 108.8 Ų | 108.8 | 72% | 0.718 | 60% | 0.595 | S | S | * | * | trans | -126.6 | 93.2 | 166.8 | -52.8 | -179.6 | 0 | 0 | 0 | 108.8 | N243 I247 | N243-I245 PolarHBondContact O-N 3.13Å; I245-I247 HydrophobicContact CG2-CG1 3.72Å; I245-I247 PolarHBondContact O-N 3.06Å | ||
| 246 | V | 36.5 | Very low | 53 | Low | 130 Ų | 130 | 115.2 Ų | 115.2 | 79% | 0.788 | 63% | 0.629 | S | S | * | * | trans | -58.3 | 93.7 | 152.5 | 177.9 | 0 | 0 | 0 | 0 | 105.5 | E248 | V246-E248 HydrophobicContact CG1-CB 4.21Å; V246-E248 HydrophobicContact CG1-CG 3.9Å; V246-E248 PolarHBondContact O-N 3.45Å | ||
| 247 | I | 43 | Very low | 51.3 | Low | 148 Ų | 148 | 116.9 Ų | 116.9 | 76% | 0.759 | 64% | 0.642 | S | S | * | * | trans | -72.3 | 80.8 | 156.9 | -56.7 | 179.3 | 0 | 0 | 0 | 103.7 | I245 | I245-I247 HydrophobicContact CG2-CG1 3.72Å; I245-I247 PolarHBondContact O-N 3.06Å | ||
| 248 | E | 40.2 | Very low | 49.8 | Very low | 132 Ų | 132 | 119.6 Ų | 119.6 | 62% | 0.617 | 66% | 0.655 | S | S | * | * | trans | -54.5 | 134 | 160.5 | -110.6 | -143.5 | 127.3 | 0 | 0 | 106 | V246 S250 | V246-E248 HydrophobicContact CG1-CB 4.21Å; V246-E248 HydrophobicContact CG1-CG 3.9Å; V246-E248 PolarHBondContact O-N 3.45Å; E248-S250 PolarHBondContact O-N 3.15Å | ||
| 249 | P | 41.9 | Very low | 48.6 | Very low | 96 Ų | 96 | 124.8 Ų | 124.8 | 62% | 0.623 | 67% | 0.668 | S | S | * | * | trans | -56.4 | 110.7 | 172.2 | 22.7 | -29.1 | 0 | 0 | 0 | 106.6 | E251 | P249-E251 PolarHBondContact O-N 2.95Š| ||
| 250 | S | 47.2 | Very low | 47.7 | Very low | 78 Ų | 78 | 121.8 Ų | 121.8 | 55% | 0.545 | 67% | 0.667 | S | S | . | * | trans | -38.2 | 130.9 | -176.8 | -178.5 | 0 | 0 | 0 | 0 | 110 | E248 K252 A253 | E248-S250 PolarHBondContact O-N 3.15Å; S250-K252 PolarHBondContact O-N 2.89Å; S250-A253 PolarHBondContact O-N 2.98Å | ||
| 251 | E | 49.1 | Very low | 47.8 | Very low | 154 Ų | 154 | 121.5 Ų | 121.5 | 72% | 0.72 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -45.4 | -21 | 178.7 | -74.3 | 174.6 | 124.8 | 0 | 0 | 113.7 | P249 A253 K254 I255 | P249-E251 PolarHBondContact O-N 2.95Å; E251-A253 VanDerWaalsContact C-N 3.33Å; E251-A253 PolarHBondContact O-N 3.08Å; E251-K254 PolarHBondContact O-N 3.05Å; E251-I255 WeakPolarHBondContact O-CG1 3.29Å; E251-I255 PolarHBondContact O-N 2.92Å |
| 252 | K | 45.1 | Very low | 47.9 | Very low | 172 Ų | 172 | 128.9 Ų | 128.9 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -61.9 | -29.1 | 171.5 | -67.9 | -170.3 | 175.9 | -175.5 | 0 | 114.9 | S250 | S250-K252 PolarHBondContact O-N 2.89Å |
| 253 | A | 51.3 | Low | 47.9 | Very low | 59 Ų | 59 | 134.8 Ų | 134.8 | 49% | 0.488 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -76.5 | -36.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | S250 E251 L256 Q257 | S250-A253 PolarHBondContact O-N 2.98Å; E251-A253 VanDerWaalsContact C-N 3.33Å; E251-A253 PolarHBondContact O-N 3.08Å; A253-L256 PolarHBondContact O-N 2.83Å; A253-Q257 PolarHBondContact O-N 2.62Å |
| 254 | K | 53.1 | Low | 48.3 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -65.5 | -39.9 | 176.4 | -112.1 | 179.4 | 176.1 | 179.1 | 0 | 112.5 | E251 L256 Q257 E258 | E251-K254 PolarHBondContact O-N 3.05Å; K254-L256 VanDerWaalsContact C-N 3.29Å; K254-L256 PolarHBondContact O-N 2.74Å; K254-Q257 PolarHBondContact O-N 3.43Å; K254-E258 PolarHBondContact O-N 2.91Å |
| 255 | I | 56.2 | Low | 49.2 | Very low | 88 Ų | 88 | 137.3 Ų | 137.3 | 45% | 0.451 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -68.5 | -26.9 | 179.6 | -65.6 | 167.1 | 0 | 0 | 0 | 112.3 | E251 R259 | E251-I255 WeakPolarHBondContact O-CG1 3.29Å; E251-I255 PolarHBondContact O-N 2.92Å; I255-R259 WeakPolarHBondContact O-CG 3.28Å; I255-R259 PolarHBondContact O-N 3.21Å |
| 256 | L | 53.1 | Low | 49.7 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 71% | 0.707 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -78.9 | -32.4 | 178.4 | -153.5 | 74.6 | 0 | 0 | 0 | 112.1 | A253 K254 G260 | A253-L256 PolarHBondContact O-N 2.83Å; K254-L256 VanDerWaalsContact C-N 3.29Å; K254-L256 PolarHBondContact O-N 2.74Å; L256-G260 PolarHBondContact O-N 2.94Å |
| 257 | Q | 58.6 | Low | 50.5 | Low | 155 Ų | 155 | 137.5 Ų | 137.5 | 72% | 0.724 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -74.9 | -36.6 | 178.6 | -151.8 | 170.2 | 17.6 | 0 | 0 | 112.1 | A253 K254 R259 G260 | A253-Q257 PolarHBondContact O-N 2.62Å; K254-Q257 PolarHBondContact O-N 3.43Å; Q257-R259 VanDerWaalsContact C-N 3.31Å; Q257-R259 PolarHBondContact O-N 2.97Å; Q257-G260 PolarHBondContact O-N 3Å |
| 258 | E | 57.1 | Low | 51 | Low | 143 Ų | 143 | 136.9 Ų | 136.9 | 67% | 0.668 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -70.6 | -24.3 | 174.8 | -75.2 | -174.3 | 159.7 | 0 | 0 | 113.7 | K254 | K254-E258 PolarHBondContact O-N 2.91Å |
| 259 | R | 56.6 | Low | 51.7 | Low | 192 Ų | 192 | 137.2 Ų | 137.2 | 73% | 0.725 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -85.5 | -23.3 | 176.3 | -72.8 | 179.3 | 123.3 | 98.4 | -0.5 | 113.6 | I255 Q257 | I255-R259 WeakPolarHBondContact O-CG 3.28Å; I255-R259 PolarHBondContact O-N 3.21Å; Q257-R259 VanDerWaalsContact C-N 3.31Å; Q257-R259 PolarHBondContact O-N 2.97Å |
| 260 | G | 51.3 | Low | 52.4 | Low | 63 Ų | 63 | 140.1 Ų | 140.1 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -80.1 | -16.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L256 Q257 | L256-G260 PolarHBondContact O-N 2.94Å; Q257-G260 PolarHBondContact O-N 3Å |
| 261 | S | 57.3 | Low | 52.8 | Low | 104 Ų | 104 | 144.9 Ų | 144.9 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 8.7 | -174.6 | -147.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 262 | R | 54.6 | Low | 53.1 | Low | 229 Ų | 229 | 144.2 Ų | 144.2 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | trans | -114.5 | 26.4 | 178.5 | -72.5 | -169.5 | 177.3 | -172 | 1.4 | 113.7 | ||||
| 263 | M | 42.6 | Very low | 53.8 | Low | 246 Ų | 246 | 141.6 Ų | 141.6 | 100% | 1.212 | 71% | 0.713 | S | S | * | * | trans | -121.4 | 0 | 169.2 | -78.4 | 178.7 | 173 | 0 | 0 | 110.3 |
Retrieved 263 of 263 residues in 266.5 ms
(Link to these results)