| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.8 | Very low | 33.5 | Very low | 243 Ų | 243 | 156.2 Ų | 156.2 | 100% | 1.197 | 80% | 0.801 | S | S | * | * | 0 | 97.4 | 0 | -72.2 | 178.8 | 178.2 | 0 | 0 | 107.1 | |||||
| 2 | S | 31.5 | Very low | 33.6 | Very low | 119 Ų | 119 | 162.3 Ų | 162.3 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -139.1 | 106.8 | -179.4 | 45.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 3 | Y | 35.5 | Very low | 33.1 | Very low | 225 Ų | 225 | 156.3 Ų | 156.3 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | trans | -87 | 118.7 | 175.2 | -89.9 | -89.1 | 0 | 0 | 0 | 108.6 | ||||
| 4 | S | 29.7 | Very low | 33.4 | Very low | 93 Ų | 93 | 152.9 Ų | 152.9 | 65% | 0.65 | 81% | 0.809 | S | S | * | * | trans | -81.7 | 140.2 | 157 | -173.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 5 | F | 38.1 | Very low | 33.2 | Very low | 177 Ų | 177 | 154.4 Ų | 154.4 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -139.3 | 99.8 | 164.7 | -131.8 | -95.3 | 0 | 0 | 0 | 107.6 | L7 | F5-L7 HydrophobicContact CD1-CD1 4.29Å; F5-L7 HydrophobicContact CE1-CD1 3.82Å | ||
| 6 | D | 32.6 | Very low | 33.1 | Very low | 142 Ų | 142 | 152.4 Ų | 152.4 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | trans | -76 | 145 | 157.8 | -73.2 | -52.2 | 0 | 0 | 0 | 108.9 | ||||
| 7 | L | 37.7 | Very low | 33.2 | Very low | 140 Ų | 140 | 156.8 Ų | 156.8 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | 163.9 | 127.7 | 160.6 | -90.3 | 164.3 | 0 | 0 | 0 | 105.2 | F5 | F5-L7 HydrophobicContact CD1-CD1 4.29Å; F5-L7 HydrophobicContact CE1-CD1 3.82Å | ||
| 8 | H | 32.9 | Very low | 32.9 | Very low | 159 Ų | 159 | 155.5 Ų | 155.5 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | cis | -168.6 | 136.4 | 13.9 | -168.7 | -92.1 | 0 | 0 | 0 | 106 | ||||
| 9 | E | 28.8 | Very low | 32.8 | Very low | 184 Ų | 184 | 153.7 Ų | 153.7 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -60.6 | 135 | 162.8 | -87.5 | -179.7 | 131.1 | 0 | 0 | 109.8 | ||||
| 10 | S | 31.9 | Very low | 32.6 | Very low | 91 Ų | 91 | 150.6 Ų | 150.6 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | -162.7 | 115.2 | 144.6 | 64.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 11 | I | 32.6 | Very low | 32.5 | Very low | 145 Ų | 145 | 151.2 Ų | 151.2 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | trans | 67.4 | 92.4 | 132.9 | -49.8 | 165 | 0 | 0 | 0 | 115.6 | ||||
| 12 | Y | 34.7 | Very low | 32.2 | Very low | 230 Ų | 230 | 149.6 Ų | 149.6 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | -159.9 | 89 | 128.6 | -88.2 | -68.5 | 0 | 0 | 0 | 107.8 | |||||
| 13 | G | 27.5 | Very low | 32.2 | Very low | 84 Ų | 84 | 152.8 Ų | 152.8 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | -75.1 | 125.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 14 | S | 36.7 | Very low | 32 | Very low | 108 Ų | 108 | 149.6 Ų | 149.6 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -133.1 | 108.9 | 159.6 | 56.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 15 | E | 30.4 | Very low | 32.2 | Very low | 176 Ų | 176 | 151 Ų | 151 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -51 | 151.7 | 171.4 | -67.3 | -178.1 | 152.8 | 0 | 0 | 111.3 | Y17 | E15-Y17 PolarHBondContact O-N 3.16Š| ||
| 16 | P | 32.2 | Very low | 32.1 | Very low | 123 Ų | 123 | 148 Ų | 148 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -62.3 | 125.4 | 176.2 | 25.9 | -32.4 | 0 | 0 | 0 | 110.1 | N18 | P16-N18 PolarHBondContact O-N 3.46Š| ||
| 17 | Y | 34.6 | Very low | 32.1 | Very low | 226 Ų | 226 | 148.5 Ų | 148.5 | 89% | 0.886 | 78% | 0.784 | S | S | * | * | trans | -57.9 | 110.2 | 171.4 | -84.1 | -90.6 | 0 | 0 | 0 | 109.4 | E15 T19 | E15-Y17 PolarHBondContact O-N 3.16Å; Y17-T19 PolarHBondContact O-N 2.97Å | ||
| 18 | N | 27.4 | Very low | 32 | Very low | 134 Ų | 134 | 151 Ų | 151 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | trans | -85.2 | 98.7 | 176.9 | -166.8 | -2.9 | 0 | 0 | 0 | 109.3 | P16 T20 | P16-N18 PolarHBondContact O-N 3.46Å; N18-T20 VanDerWaalsContact C-N 3.32Å; N18-T20 PolarHBondContact O-N 3.23Å; N18-T20 PolarHBondContact OD1-OG1 3.25Å | ||
| 19 | T | 31.2 | Very low | 31.8 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -77.4 | 78.1 | 172.4 | 13.1 | 0 | 0 | 0 | 0 | 110.2 | Y17 | Y17-T19 PolarHBondContact O-N 2.97Š| ||
| 20 | T | 29.3 | Very low | 31.9 | Very low | 91 Ų | 91 | 147 Ų | 147 | 56% | 0.558 | 79% | 0.791 | S | S | * | * | trans | -129.7 | 133.4 | 164.8 | 47.5 | 0 | 0 | 0 | 0 | 109.5 | N18 | N18-T20 VanDerWaalsContact C-N 3.32Å; N18-T20 PolarHBondContact O-N 3.23Å; N18-T20 PolarHBondContact OD1-OG1 3.25Å | ||
| 21 | H | 30.5 | Very low | 31.7 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | 94.8 | 70.5 | 178.7 | -56.9 | -81.2 | 0 | 0 | 0 | 118.2 | ||||
| 22 | F | 30.7 | Very low | 31.7 | Very low | 208 Ų | 208 | 148.3 Ų | 148.3 | 91% | 0.912 | 80% | 0.803 | S | S | * | * | trans | -111.2 | 104.4 | 141.1 | -107.6 | -91.7 | 0 | 0 | 0 | 108.8 | ||||
| 23 | K | 31.7 | Very low | 31.4 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -109.3 | 115.2 | 165.9 | -82.4 | -173.8 | 177.5 | -179.2 | 0 | 107.8 | ||||
| 24 | I | 31.3 | Very low | 31.5 | Very low | 158 Ų | 158 | 145 Ų | 145 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 123.4 | 172.5 | -58.6 | 170.3 | 0 | 0 | 0 | 108.1 | ||
| 25 | P | 34 | Very low | 31.3 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 132 | 173.5 | -8.3 | 25 | 0 | 0 | 0 | 111.2 | ||
| 26 | S | 35.6 | Very low | 31.2 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 132.4 | 173.3 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 27 | N | 33.2 | Very low | 31.3 | Very low | 154 Ų | 154 | 148.7 Ų | 148.7 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | 4.3 | 125.1 | 160 | -87.6 | -14.4 | 0 | 0 | 0 | 119.4 | ||||
| 28 | Q | 35.1 | Very low | 31 | Very low | 192 Ų | 192 | 147.2 Ų | 147.2 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -129.3 | 123.9 | 139.4 | -72.4 | -170.1 | 21.7 | 0 | 0 | 110.8 | ||||
| 29 | T | 27.8 | Very low | 31.1 | Very low | 121 Ų | 121 | 149 Ų | 149 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -68.9 | 128.9 | 178 | -49.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 30 | T | 32.4 | Very low | 31 | Very low | 138 Ų | 138 | 152 Ų | 152 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | -144.1 | 116.5 | 149.9 | 8.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 31 | T | 26.7 | Very low | 30.9 | Very low | 124 Ų | 124 | 156.6 Ų | 156.6 | 76% | 0.761 | 82% | 0.82 | S | S | * | * | trans | -63.3 | 130.9 | 173.9 | 34.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 32 | T | 33 | Very low | 30.8 | Very low | 139 Ų | 139 | 155.3 Ų | 155.3 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -148.2 | 115.7 | 142.8 | -8.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 33 | T | 27.6 | Very low | 30.7 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -45.1 | 141.2 | 161.2 | 5.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 34 | T | 29.6 | Very low | 30.7 | Very low | 118 Ų | 118 | 149.2 Ų | 149.2 | 72% | 0.724 | 81% | 0.808 | S | S | * | * | 173.9 | 124.9 | 76.3 | -31.4 | 0 | 0 | 0 | 0 | 105.1 | |||||
| 35 | T | 33.8 | Very low | 30.8 | Very low | 136 Ų | 136 | 148.2 Ų | 148.2 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | 172.8 | 138.2 | 90.2 | 28.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 36 | T | 28.4 | Very low | 30.8 | Very low | 133 Ų | 133 | 152.6 Ų | 152.6 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | trans | -74.5 | 132.8 | -175.8 | 44.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 37 | K | 33.9 | Very low | 30.9 | Very low | 217 Ų | 217 | 155.8 Ų | 155.8 | 94% | 0.943 | 82% | 0.818 | S | S | * | * | trans | -133.6 | 106.1 | 143.2 | -85.2 | -171.7 | 178.6 | 176.4 | 0 | 110.1 | ||||
| 38 | K | 27.3 | Very low | 31 | Very low | 195 Ų | 195 | 157.1 Ų | 157.1 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | trans | -73 | 130.1 | 163.7 | -77.2 | 176.7 | 172.7 | 175.3 | 0 | 109.2 | ||||
| 39 | H | 30.5 | Very low | 30.9 | Very low | 170 Ų | 170 | 156.3 Ų | 156.3 | 79% | 0.787 | 82% | 0.817 | S | S | * | * | trans | -156.1 | 97.4 | 148.6 | -110.2 | -79.3 | 0 | 0 | 0 | 107.3 | ||||
| 40 | K | 29.3 | Very low | 31.3 | Very low | 185 Ų | 185 | 158.8 Ų | 158.8 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | 80.5 | 107 | 92.9 | -92.2 | -171.2 | 175.6 | -179.9 | 0 | 112.8 | |||||
| 41 | Q | 27.2 | Very low | 31.4 | Very low | 189 Ų | 189 | 160.8 Ų | 160.8 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -17.3 | 131.7 | 158.1 | -67.1 | 170.8 | -14.7 | 0 | 0 | 114.8 | ||||
| 42 | N | 27.7 | Very low | 32 | Very low | 137 Ų | 137 | 161.9 Ų | 161.9 | 73% | 0.733 | 82% | 0.822 | S | S | * | * | trans | -140.1 | 101.7 | 155.4 | -96.5 | -14.5 | 0 | 0 | 0 | 109.4 | Y44 | N42-Y44 HydrophobicContact CB-CD2 4.02Å; N42-Y44 HydrophobicContact CB-CE2 4.06Å | ||
| 43 | G | 28.8 | Very low | 31.8 | Very low | 72 Ų | 72 | 159.1 Ų | 159.1 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | trans | -71.9 | 121.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 44 | Y | 31.6 | Very low | 32.1 | Very low | 195 Ų | 195 | 162.1 Ų | 162.1 | 77% | 0.765 | 83% | 0.828 | S | S | * | * | trans | -147 | 54.5 | 171.9 | -80.7 | -80.9 | 0 | 0 | 0 | 110.7 | N42 | N42-Y44 HydrophobicContact CB-CD2 4.02Å; N42-Y44 HydrophobicContact CB-CE2 4.06Å | ||
| 45 | V | 33.7 | Very low | 32 | Very low | 137 Ų | 137 | 167.8 Ų | 167.8 | 83% | 0.83 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -138.7 | -1.6 | 168.2 | -168.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 46 | K | 34.7 | Very low | 31.8 | Very low | 212 Ų | 212 | 171.2 Ų | 171.2 | 92% | 0.922 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -106.3 | 10.5 | -177.7 | -99.6 | -172.8 | 177.3 | -177.8 | 0 | 116.4 | ||
| 47 | Q | 36.3 | Very low | 32 | Very low | 182 Ų | 182 | 171.5 Ų | 171.5 | 85% | 0.85 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -137.3 | 9.5 | -173.6 | -146.1 | 157.4 | 8.6 | 0 | 0 | 116.4 | ||
| 48 | F | 35 | Very low | 31.8 | Very low | 182 Ų | 182 | 171 Ų | 171 | 80% | 0.798 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -108.4 | 0.6 | -179.6 | -163.4 | -105.2 | 0 | 0 | 0 | 114.7 | ||
| 49 | L | 34.1 | Very low | 32.2 | Very low | 174 Ų | 174 | 171.3 Ų | 171.3 | 91% | 0.911 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -105.5 | 18.7 | 179.8 | -75.9 | 169.3 | 0 | 0 | 0 | 114.2 | ||
| 50 | Q | 35.4 | Very low | 32.5 | Very low | 173 Ų | 173 | 168.6 Ų | 168.6 | 81% | 0.808 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -122.4 | 7.6 | -172.7 | -147.8 | 162.1 | 36.5 | 0 | 0 | 116.4 | ||
| 51 | Q | 35.6 | Very low | 32.9 | Very low | 181 Ų | 181 | 164.1 Ų | 164.1 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -140.9 | 4.3 | -177.7 | -77.2 | -168.8 | -1 | 0 | 0 | 118.7 | ||
| 52 | N | 38.7 | Very low | 33.3 | Very low | 146 Ų | 146 | 160.9 Ų | 160.9 | 78% | 0.781 | 83% | 0.829 | S | S | * | * | trans | -123.4 | 78.8 | 176.3 | -72.4 | -42 | 0 | 0 | 0 | 112.3 | M54 | N52-M54 PolarHBondContact O-N 2.85Š| ||
| 53 | G | 28.7 | Very low | 33.5 | Very low | 82 Ų | 82 | 161.3 Ų | 161.3 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | -69.2 | 103.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 54 | M | 33.1 | Very low | 33.8 | Very low | 188 Ų | 188 | 165.2 Ų | 165.2 | 93% | 0.926 | 83% | 0.832 | S | S | * | * | trans | -116.5 | 120.9 | 163.3 | -93.4 | -173.7 | 170.4 | 0 | 0 | 110.5 | N52 | N52-M54 PolarHBondContact O-N 2.85Š| ||
| 55 | R | 28.8 | Very low | 33.7 | Very low | 237 Ų | 237 | 161 Ų | 161 | 89% | 0.894 | 83% | 0.831 | S | S | * | * | trans | -67.7 | 146.5 | -175.4 | -73.3 | 172.9 | 169.5 | 175.7 | -4 | 111.3 | T57 | R55-T57 PolarHBondContact O-N 3.19Š| ||
| 56 | K | 28.6 | Very low | 34 | Very low | 209 Ų | 209 | 159.8 Ų | 159.8 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -45.6 | 126.8 | 169.7 | -63.7 | 179.1 | 175.7 | 179.5 | 0 | 111.9 | ||||
| 57 | T | 33.6 | Very low | 33.9 | Very low | 139 Ų | 139 | 156.5 Ų | 156.5 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -128.9 | 130.6 | 155 | 54.4 | 0 | 0 | 0 | 0 | 109.4 | R55 | R55-T57 PolarHBondContact O-N 3.19Š| ||
| 58 | K | 29.3 | Very low | 33.6 | Very low | 205 Ų | 205 | 150.9 Ų | 150.9 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -82.2 | 138.5 | 169.2 | -74.5 | -179.7 | 173 | -178.8 | 0 | 108.8 | ||||
| 59 | K | 35.1 | Very low | 33.6 | Very low | 203 Ų | 203 | 147.6 Ų | 147.6 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | 144.4 | 135.4 | 157.3 | -87.4 | 171 | 178.4 | -174 | 0 | 107.6 | ||||
| 60 | S | 37.6 | Very low | 33.3 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | cis | -175 | 141.1 | -2.7 | 35 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 61 | S | 38.1 | Very low | 32.9 | Very low | 90 Ų | 90 | 138 Ų | 138 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | trans | -70.2 | -177.5 | -175.2 | -41 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 62 | P | 34.3 | Very low | 32.6 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | -132 | 126.9 | 72.3 | 29.3 | -11.6 | 0 | 0 | 0 | 111.9 | |||||
| 63 | L | 31.7 | Very low | 32.7 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | 40 | 86.9 | 65.4 | -71.9 | 174.7 | 0 | 0 | 0 | 114.2 | |||||
| 64 | I | 35.5 | Very low | 33.3 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -121.6 | 97.9 | 146.2 | -68.4 | -178.9 | 0 | 0 | 0 | 106.2 | V66 | I64-V66 HydrophobicContact CG2-CG2 3.44Å; I64-V66 VanDerWaalsContact CG2-CG2 3.44Å | ||
| 65 | S | 30.9 | Very low | 34.4 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -95.1 | 121.8 | 159.2 | 165.5 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 66 | V | 38.9 | Very low | 36.2 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 67% | 0.673 | 76% | 0.764 | S | S | * | * | trans | -122.8 | 98.7 | 173.6 | -173.1 | 0 | 0 | 0 | 0 | 109 | I64 | I64-V66 HydrophobicContact CG2-CG2 3.44Å; I64-V66 VanDerWaalsContact CG2-CG2 3.44Å | ||
| 67 | N | 32.6 | Very low | 38.9 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | 53.8 | 85.8 | 143.1 | -58.7 | -14.6 | 0 | 0 | 0 | 118.8 | ||||
| 68 | G | 31.2 | Very low | 41.5 | Very low | 64 Ų | 64 | 125.1 Ų | 125.1 | 66% | 0.66 | 74% | 0.737 | S | S | * | * | trans | -78.1 | 109.6 | 133.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 69 | T | 33.2 | Very low | 44.4 | Very low | 114 Ų | 114 | 117.4 Ų | 117.4 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | trans | 30.2 | 127.1 | 133.1 | 50 | 0 | 0 | 0 | 0 | 120 | G71 | T69-G71 PolarHBondContact O-N 3.05Š| ||
| 70 | G | 28.8 | Very low | 47.2 | Very low | 86 Ų | 86 | 108 Ų | 108 | 89% | 0.887 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -54.6 | 133.9 | 145.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 71 | G | 27.9 | Very low | 49.9 | Very low | 60 Ų | 60 | 105.6 Ų | 105.6 | 62% | 0.619 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 125.5 | 113.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T69 I73 | T69-G71 PolarHBondContact O-N 3.05Å; G71-I73 PolarHBondContact O-N 2.84Å |
| 72 | G | 28.9 | Very low | 52.6 | Low | 83 Ų | 83 | 102.2 Ų | 102.2 | 86% | 0.856 | 62% | 0.618 | S | S | * | * | trans | -47.8 | 126.8 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | G74 | G72-G74 VanDerWaalsContact C-N 3.35Å; G72-G74 PolarHBondContact O-N 2.95Å | ||
| 73 | I | 39.7 | Very low | 55.4 | Low | 154 Ų | 154 | 97.3 Ų | 97.3 | 79% | 0.79 | 59% | 0.585 | S | S | * | * | trans | -76.5 | 86.5 | 174.3 | -56.9 | 171.6 | 0 | 0 | 0 | 108.1 | G71 | G71-I73 PolarHBondContact O-N 2.84Š| ||
| 74 | G | 40.9 | Very low | 58.4 | Low | 57 Ų | 57 | 90.4 Ų | 90.4 | 59% | 0.588 | 55% | 0.548 | S | S | * | . | trans | -70.4 | 127 | 153.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | G72 Q76 | G72-G74 VanDerWaalsContact C-N 3.35Å; G72-G74 PolarHBondContact O-N 2.95Å; G74-Q76 PolarHBondContact O-N 3.1Å | ||
| 75 | E | 57 | Low | 61.2 | Low | 183 Ų | 183 | 83.1 Ų | 83.1 | 86% | 0.855 | 51% | 0.511 | S | S | * | . | trans | -47.6 | 113.1 | 168.3 | -88.9 | 177.9 | 160.5 | 0 | 0 | 108.6 | R77 | E75-R77 PolarHBondContact O-N 3.46Š| ||
| 76 | Q | 66.4 | Low | 64.2 | Low | 131 Ų | 131 | 78 Ų | 78 | 61% | 0.612 | 48% | 0.475 | S | S | * | . | trans | -67 | 98.5 | 179.3 | -78.8 | -160.7 | 40.9 | 0 | 0 | 108.2 | G74 I122 | G74-Q76 PolarHBondContact O-N 3.1Å; Q76-I122 HydrophobicContact CB-CD1 3.68Å; Q76-I122 VanDerWaalsContact O-CD1 3.27Å; Q76-I122 WeakPolarHBondContact O-CD1 3.3Å | ||
| 77 | R | 85.4 | Confident | 66.8 | Low | 218 Ų | 218 | 72.7 Ų | 72.7 | 82% | 0.823 | 44% | 0.443 | S | S | * | . | trans | -57 | 137 | 179.3 | -68.9 | -174.9 | 174.8 | 171.3 | -1.7 | 110.5 | E75 R129 | E75-R77 PolarHBondContact O-N 3.46Å; R77-R129 VanDerWaalsContact O-CD 3.23Å; R77-R129 WeakPolarHBondContact O-CD 3.31Å; R77-R129 PolarHBondContact O-NE 2.88Å; R77-R129 PolarHBondContact O-NH1 2.86Å | ||
| 78 | F | 89.2 | Confident | 69.6 | Low | 84 Ų | 84 | 65.9 Ų | 65.9 | 37% | 0.368 | 41% | 0.407 | S | S | . | . | trans | -122.3 | 152.7 | 173.9 | 54.3 | -95.5 | 0 | 0 | 0 | 109.5 | A80 N81 I122 R129 Q131 | F78-A80 VanDerWaalsContact CD2-O 3.31Å; F78-A80 WeakPolarHBondContact CD2-O 3.04Å; F78-N81 HydrophobicContact CD2-CB 4.12Å; F78-N81 HydrophobicContact CE2-CB 3.61Å; F78-N81 HydrophobicContact CZ-CB 4.26Å; F78-I122 HydrophobicContact CB-CD1 4.41Å; F78-I122 HydrophobicContact CD1-CD1 4.45Å; F78-R129 CarbonylContact C-O 3.56Å; F78-R129 HydrophobicContact CB-CB 4.35Å; F78-R129 WeakPolarHBondContact CB-O 3.33Å; F78-Q131 HydrophobicContact CB-CB 4.01Å; F78-Q131 HydrophobicContact CD1-CB 3.87Å; F78-Q131 HydrophobicContact CD1-CG 4.4Å; F78-Q131 HydrophobicContact CD2-CB 4.05Å; F78-Q131 HydrophobicContact CE1-CB 4.36Å; F78-Q131 HydrophobicContact CG-CB 3.69Å | ||
| 79 | D | 90.4 | Very high | 72.5 | Confident | 43 Ų | 43 | 64.3 Ų | 64.3 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -86.3 | -33.5 | 178.7 | -55 | -71.4 | 0 | 0 | 0 | 110.9 | H128 R129 P251 R253 | D79-H128 HydrophobicContact CB-CB 4.49Å; D79-H128 WeakPolarHBondContact OD2-CA 3.45Å; D79-R129 PolarHBondContact N-O 3.25Å; D79-R129 PolarHBondContact OD2-N 3.04Å; D79-P251 VanDerWaalsContact O-CD 3.22Å; D79-P251 WeakPolarHBondContact O-CD 3.14Å; D79-P251 VanDerWaalsContact O-CG 3.24Å; D79-P251 WeakPolarHBondContact O-CG 3.38Å; D79-R253 IonicContact OD1-CZ 2.75Å; D79-R253 IonicContact OD1-NE 3.75Å; D79-R253 PolarHBondContact OD1-NE 3.07Å; D79-R253 IonicContact OD1-NH2 2.84Å; D79-R253 IonicContact OD2-CZ 3.54Å; D79-R253 IonicContact OD2-NE 3.55Å; D79-R253 IonicContact OD2-NH2 3.05Å; D79-R253 PolarHBondContact OD2-NH2 3.31Å |
| 80 | A | 92.5 | Very high | 75.2 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 6% | 0.058 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 152.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | F78 F82 R129 Q131 | F78-A80 VanDerWaalsContact CD2-O 3.31Å; F78-A80 WeakPolarHBondContact CD2-O 3.04Å; A80-F82 HydrophobicContact CB-CD2 4.42Å; A80-F82 HydrophobicContact CB-CE2 3.64Å; A80-F82 HydrophobicContact CB-CZ 4Å; A80-R129 PolarHBondContact N-O 2.95Å; A80-Q131 PolarHBondContact O-N 2.82Å |
| 81 | N | 93.8 | Very high | 78.1 | Confident | 62 Ų | 62 | 59.7 Ų | 59.7 | 33% | 0.332 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 129.6 | 175.4 | -177.5 | 16.6 | 0 | 0 | 0 | 110.5 | F78 Q131 E133 | F78-N81 HydrophobicContact CD2-CB 4.12Å; F78-N81 HydrophobicContact CE2-CB 3.61Å; F78-N81 HydrophobicContact CZ-CB 4.26Å; N81-Q131 CarbonylContact C-O 3.59Å; N81-Q131 VanDerWaalsContact CA-O 3.31Å; N81-Q131 WeakPolarHBondContact CA-O 3.32Å; N81-Q131 HydrophobicContact CB-CB 4.42Å; N81-Q131 PolarHBondContact OD1-O 2.82Å; N81-E133 PolarHBondContact ND2-OE1 3.4Å; N81-E133 WeakPolarHBondContact OD1-CG 3.46Å |
| 82 | F | 94.9 | Very high | 81.3 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 8% | 0.083 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 132 | -179.7 | -60.4 | -70.9 | 0 | 0 | 0 | 111.8 | A80 V130 Q131 L132 E133 K155 M244 W248 | A80-F82 HydrophobicContact CB-CD2 4.42Å; A80-F82 HydrophobicContact CB-CE2 3.64Å; A80-F82 HydrophobicContact CB-CZ 4Å; F82-V130 HydrophobicContact CD2-CG1 3.64Å; F82-V130 HydrophobicContact CE2-CG1 3.9Å; F82-Q131 PolarHBondContact N-O 3.25Å; F82-L132 HydrophobicContact CB-CD2 4.16Å; F82-L132 WeakPolarHBondContact O-CA 3.3Å; F82-E133 PolarHBondContact O-N 2.82Å; F82-K155 HydrophobicContact CD1-CB 4.2Å; F82-K155 HydrophobicContact CD1-CG 4.2Å; F82-M244 HydrophobicContact CB-CB 4.43Å; F82-M244 HydrophobicContact CB-CG 3.98Å; F82-M244 HydrophobicContact CB-SD 4.27Å; F82-M244 HydrophobicContact CD1-CB 4.39Å; F82-M244 HydrophobicContact CD2-CB 3.49Å; F82-M244 VanDerWaalsContact CD2-CB 3.49Å; F82-M244 HydrophobicContact CD2-CG 3.97Å; F82-M244 HydrophobicContact CE2-CB 3.7Å; F82-M244 HydrophobicContact CG-CB 3.85Å; F82-M244 HydrophobicContact CG-CG 3.93Å; F82-M244 HydrophobicContact CG-SD 4.32Å; F82-M244 HydrophobicContact CZ-CB 4.25Å; F82-W248 HydrophobicContact CE1-CB 3.56Å; F82-W248 AromaticContact CE1-CG 4Å; F82-W248 HydrophobicContact CE1-CG 4Å; F82-W248 HydrophobicContact CZ-CB 3.91Å |
| 83 | K | 94.2 | Very high | 84.4 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 8% | 0.083 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 122.4 | 172.5 | 170.4 | 174.1 | -87.7 | 179.3 | 0 | 110.1 | L85 E153 K155 | K83-L85 HydrophobicContact CD-CD1 3.94Å; K83-L85 HydrophobicContact CG-CD1 3.55Å; K83-E153 HydrophobicContact CD-CB 3.64Å; K83-E153 IonicContact NZ-OE2 3.94Å; K83-E153 PolarHBondContact NZ-OE2 2.99Å; K83-K155 PolarHBondContact O-N 3.47Å |
| 84 | V | 95 | Very high | 87 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 127.3 | 178.7 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | L132 E133 V134 W135 C156 I158 V240 | V84-L132 HydrophobicContact CG2-CB 4.43Å; V84-L132 HydrophobicContact CG2-CD2 4.03Å; V84-E133 PolarHBondContact N-O 3.49Å; V84-V134 WeakPolarHBondContact O-CA 3.34Å; V84-W135 PolarHBondContact O-N 2.96Å; V84-C156 WeakPolarHBondContact CA-O 3.44Å; V84-C156 HydrophobicContact CB-CB 4.47Å; V84-C156 HydrophobicContact CG1-CB 4.13Å; V84-C156 HydrophobicContact CG2-CB 4.07Å; V84-I158 HydrophobicContact CG1-CD1 3.67Å; V84-I158 HydrophobicContact CG1-CG1 3.82Å; V84-V240 HydrophobicContact CG1-CG1 4.31Å; V84-V240 HydrophobicContact CG2-CG1 3.96Å |
| 85 | L | 93.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 130.8 | 178.1 | -90.2 | 62 | 0 | 0 | 0 | 110.7 | K83 W135 T137 H150 F151 A154 C156 F157 I158 | K83-L85 HydrophobicContact CD-CD1 3.94Å; K83-L85 HydrophobicContact CG-CD1 3.55Å; L85-W135 HydrophobicContact CD1-CB 3.97Å; L85-W135 HydrophobicContact CD1-CG 4.06Å; L85-W135 HydrophobicContact CG-CB 4.11Å; L85-T137 HydrophobicContact CG-CG2 4.49Å; L85-H150 HydrophobicContact CD2-CB 3.9Å; L85-F151 HydrophobicContact CD2-CD2 3.66Å; L85-F151 HydrophobicContact CD2-CE2 4.01Å; L85-F151 HydrophobicContact CD2-CG 4.46Å; L85-A154 HydrophobicContact CD1-CB 3.77Å; L85-A154 HydrophobicContact CD2-CB 4.25Å; L85-A154 HydrophobicContact CG-CB 4.41Å; L85-C156 PolarHBondContact N-O 2.8Å; L85-F157 HydrophobicContact CB-CD1 3.78Å; L85-F157 HydrophobicContact CB-CE1 3.93Å; L85-F157 HydrophobicContact CD2-CD1 4.49Å; L85-F157 HydrophobicContact CD2-CE1 3.81Å; L85-F157 HydrophobicContact CG-CE1 4.49Å; L85-F157 WeakPolarHBondContact O-CA 3.34Å; L85-I158 PolarHBondContact O-N 3.14Å |
| 86 | L | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 125.4 | 167.4 | -83.9 | 69.9 | 0 | 0 | 0 | 109.6 | K94 I97 I98 V134 W135 T137 I158 V160 F237 | L86-K94 HydrophobicContact CB-CB 4.25Å; L86-K94 HydrophobicContact CB-CD 4.15Å; L86-K94 HydrophobicContact CB-CG 4.31Å; L86-K94 HydrophobicContact CD2-CB 4.06Å; L86-I97 HydrophobicContact CD2-CB 4.44Å; L86-I97 HydrophobicContact CD2-CG2 4.18Å; L86-I98 HydrophobicContact CD1-CD1 4.19Å; L86-I98 HydrophobicContact CD1-CG1 4.4Å; L86-I98 HydrophobicContact CD2-CD1 3.8Å; L86-I98 HydrophobicContact CD2-CG1 3.76Å; L86-I98 HydrophobicContact CG-CD1 4.43Å; L86-V134 HydrophobicContact CD1-CG1 3.32Å; L86-W135 PolarHBondContact N-O 3.39Å; L86-T137 PolarHBondContact O-OG1 2.82Å; L86-I158 CarbonylContact C-O 3.6Å; L86-I158 WeakPolarHBondContact CA-O 3.45Å; L86-I158 HydrophobicContact CD1-CB 4.37Å; L86-I158 HydrophobicContact CD1-CD1 4.1Å; L86-I158 HydrophobicContact CG-CB 4.17Å; L86-I158 HydrophobicContact CG-CG2 4.4Å; L86-V160 HydrophobicContact CD2-CG2 4.39Å; L86-F237 HydrophobicContact CD1-CE1 4.4Å; L86-F237 HydrophobicContact CD1-CZ 4.37Å |
| 87 | L | 92.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 164.9 | 176.4 | -55.9 | -176.9 | 0 | 0 | 0 | 110.5 | T137 F151 F157 I158 I159 V160 W176 V180 | L87-T137 HydrophobicContact CD2-CG2 4.31Å; L87-F151 HydrophobicContact CD1-CE1 4.09Å; L87-F151 HydrophobicContact CD1-CE2 4.43Å; L87-F151 HydrophobicContact CD1-CZ 3.65Å; L87-F151 HydrophobicContact CD2-CE2 3.65Å; L87-F151 HydrophobicContact CD2-CZ 3.58Å; L87-F151 HydrophobicContact CG-CZ 4.28Å; L87-F157 HydrophobicContact CD1-CB 4.44Å; L87-F157 HydrophobicContact CD1-CD1 3.52Å; L87-F157 HydrophobicContact CD1-CE1 4.08Å; L87-F157 HydrophobicContact CD1-CG 4.26Å; L87-F157 HydrophobicContact CD2-CD1 4.49Å; L87-F157 HydrophobicContact CG-CD1 3.96Å; L87-I158 PolarHBondContact N-O 3.07Å; L87-I159 HydrophobicContact CB-CG1 4.29Å; L87-I159 HydrophobicContact CD1-CG1 4.47Å; L87-V160 PolarHBondContact O-N 3.4Å; L87-W176 HydrophobicContact CB-CD2 4.27Å; L87-W176 HydrophobicContact CB-CE3 3.79Å; L87-W176 HydrophobicContact CB-CZ3 4.28Å; L87-W176 HydrophobicContact CD1-CE3 4.32Å; L87-W176 HydrophobicContact CD2-CE3 4.5Å; L87-W176 HydrophobicContact CD2-CZ3 4.45Å; L87-W176 HydrophobicContact CG-CE3 4.43Å; L87-V180 HydrophobicContact CD1-CG2 3.77Å |
| 88 | G | 92.7 | Very high | 93 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | 134.3 | 160.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K94 V160 W176 | G88-K94 PolarHBondContact O-NZ 3.33Å; G88-V160 WeakPolarHBondContact CA-O 3.48Å; G88-W176 VanDerWaalsContact C-CE2 3.45Å; G88-W176 VanDerWaalsContact CA-CE2 3.41Å; G88-W176 VanDerWaalsContact O-CZ2 3.27Å; G88-W176 WeakPolarHBondContact O-CZ2 3.06Å | ||
| 89 | N | 91.2 | Very high | 93.2 | Very high | 31 Ų | 31 | 20.1 Ų | 20.1 | 17% | 0.166 | 12% | 0.12 | C | C | . | . | trans | -57.2 | 165.9 | -177.2 | -72 | 26.3 | 0 | 0 | 0 | 112.8 | V92 K94 Q171 W176 | N89-V92 HydrophobicContact CB-CG1 3.9Å; N89-V92 VanDerWaalsContact O-CG2 3.24Å; N89-V92 WeakPolarHBondContact O-CG2 2.98Å; N89-K94 PolarHBondContact O-NZ 3.4Å; N89-Q171 WeakPolarHBondContact OD1-CB 3.19Å; N89-W176 PolarHBondContact OD1-NE1 3.4Å | ||
| 90 | S | 89.6 | Confident | 93.4 | Very high | 48 Ų | 48 | 19 Ų | 19 | 34% | 0.336 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 143 | 169.6 | -165.4 | 0 | 0 | 0 | 0 | 110.7 | V92 G139 | S90-V92 VanDerWaalsContact C-N 3.26Å; S90-V92 PolarHBondContact O-N 2.96Å; S90-G139 WeakPolarHBondContact CA-O 3.43Å; S90-G139 WeakPolarHBondContact CB-O 3.5Å; S90-G139 PolarHBondContact N-O 2.59Å |
| 91 | G | 90.8 | Very high | 93.5 | Very high | 54 Ų | 54 | 19 Ų | 19 | 56% | 0.557 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | -6.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | G93 K196 | G91-G93 PolarHBondContact O-N 3.07Å; G91-K196 VanDerWaalsContact O-CE 3.27Å; G91-K196 WeakPolarHBondContact O-CE 3.43Å; G91-K196 PolarHBondContact O-NZ 2.92Å |
| 92 | V | 94.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -67.5 | -17.8 | 177.9 | -55.6 | 0 | 0 | 0 | 0 | 113.6 | N89 S90 K94 V160 D162 N195 | N89-V92 HydrophobicContact CB-CG1 3.9Å; N89-V92 VanDerWaalsContact O-CG2 3.24Å; N89-V92 WeakPolarHBondContact O-CG2 2.98Å; S90-V92 VanDerWaalsContact C-N 3.26Å; S90-V92 PolarHBondContact O-N 2.96Å; V92-K94 HydrophobicContact CG2-CD 4.49Å; V92-K94 HydrophobicContact CG2-CG 3.81Å; V92-V160 HydrophobicContact CB-CG1 4.29Å; V92-V160 HydrophobicContact CG2-CB 3.93Å; V92-V160 HydrophobicContact CG2-CG1 3.88Å; V92-D162 HydrophobicContact CB-CB 4.39Å; V92-D162 HydrophobicContact CG1-CB 4.34Å; V92-N195 PolarHBondContact O-ND2 3.46Å |
| 93 | G | 93.9 | Very high | 93.2 | Very high | 10 Ų | 10 | 19.7 Ų | 19.7 | 10% | 0.103 | 14% | 0.138 | C | C | . | . | trans | 103.9 | 24.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | G91 S96 I97 | G91-G93 PolarHBondContact O-N 3.07Å; G93-S96 CarbonylContact O-C 3.6Å; G93-S96 WeakPolarHBondContact O-CB 3.42Å; G93-S96 PolarHBondContact O-N 3.06Å; G93-S96 VanDerWaalsContact O-N 3.13Å; G93-I97 WeakPolarHBondContact O-CG1 3.13Å; G93-I97 PolarHBondContact O-N 2.9Å | ||
| 94 | K | 94.1 | Very high | 92.9 | Very high | 11 Ų | 11 | 23.3 Ų | 23.3 | 5% | 0.048 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -52.8 | -55.1 | 177.1 | -59.3 | -175.1 | -61 | -72.9 | 0 | 112.9 | L86 G88 N89 V92 S96 I97 I98 D136 T137 V160 | L86-K94 HydrophobicContact CB-CB 4.25Å; L86-K94 HydrophobicContact CB-CD 4.15Å; L86-K94 HydrophobicContact CB-CG 4.31Å; L86-K94 HydrophobicContact CD2-CB 4.06Å; G88-K94 PolarHBondContact O-NZ 3.33Å; N89-K94 PolarHBondContact O-NZ 3.4Å; V92-K94 HydrophobicContact CG2-CD 4.49Å; V92-K94 HydrophobicContact CG2-CG 3.81Å; K94-S96 VanDerWaalsContact C-N 3.28Å; K94-S96 PolarHBondContact O-N 3.37Å; K94-I97 WeakPolarHBondContact O-CB 3.5Å; K94-I97 PolarHBondContact O-N 2.9Å; K94-I97 VanDerWaalsContact O-N 3.15Å; K94-I98 PolarHBondContact O-N 2.74Å; K94-D136 WeakPolarHBondContact CB-OD1 3.39Å; K94-T137 WeakPolarHBondContact CE-O 3.49Å; K94-V160 HydrophobicContact CG-CB 4.2Å; K94-V160 HydrophobicContact CG-CG2 4.16Å |
| 95 | T | 92.2 | Very high | 92.3 | Very high | 16 Ų | 16 | 28.2 Ų | 28.2 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.7 | -42.3 | 174.5 | -45.9 | 0 | 0 | 0 | 0 | 111.9 | I97 I98 R99 T113 D136 | T95-I97 PolarHBondContact O-N 2.88Å; T95-I98 PolarHBondContact O-N 2.75Å; T95-R99 WeakPolarHBondContact O-CB 3.42Å; T95-R99 WeakPolarHBondContact O-CG 3.39Å; T95-R99 PolarHBondContact O-N 3.02Å; T95-T113 PolarHBondContact OG1-OG1 3.28Å; T95-D136 WeakPolarHBondContact CA-OD2 3.44Å; T95-D136 WeakPolarHBondContact CB-OD2 3.45Å; T95-D136 WeakPolarHBondContact CG2-OD2 3.23Å; T95-D136 PolarHBondContact N-OD1 3.41Å; T95-D136 PolarHBondContact OG1-OD1 3.4Å; T95-D136 PolarHBondContact OG1-OD2 3.03Å |
| 96 | S | 94.4 | Very high | 91.9 | Very high | 12 Ų | 12 | 31.5 Ų | 31.5 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.5 | -37.9 | 178.9 | -48 | 0 | 0 | 0 | 0 | 112.4 | G93 K94 R99 A100 | G93-S96 CarbonylContact O-C 3.6Å; G93-S96 WeakPolarHBondContact O-CB 3.42Å; G93-S96 PolarHBondContact O-N 3.06Å; G93-S96 VanDerWaalsContact O-N 3.13Å; K94-S96 VanDerWaalsContact C-N 3.28Å; K94-S96 PolarHBondContact O-N 3.37Å; S96-R99 PolarHBondContact O-N 2.87Å; S96-A100 VanDerWaalsContact O-CB 3.28Å; S96-A100 WeakPolarHBondContact O-CB 3.23Å; S96-A100 PolarHBondContact O-N 3.03Å |
| 97 | I | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.2 | -46.1 | 174 | -73.5 | 169.2 | 0 | 0 | 0 | 110.1 | L86 G93 K94 T95 A100 L101 V160 V193 N195 A227 I233 F237 | L86-I97 HydrophobicContact CD2-CB 4.44Å; L86-I97 HydrophobicContact CD2-CG2 4.18Å; G93-I97 WeakPolarHBondContact O-CG1 3.13Å; G93-I97 PolarHBondContact O-N 2.9Å; K94-I97 WeakPolarHBondContact O-CB 3.5Å; K94-I97 PolarHBondContact O-N 2.9Å; K94-I97 VanDerWaalsContact O-N 3.15Å; T95-I97 PolarHBondContact O-N 2.88Å; I97-A100 PolarHBondContact O-N 2.81Å; I97-L101 PolarHBondContact O-N 3.05Å; I97-V160 HydrophobicContact CD1-CG1 3.68Å; I97-V160 HydrophobicContact CD1-CG2 4.04Å; I97-V193 HydrophobicContact CD1-CG1 4.11Å; I97-N195 HydrophobicContact CD1-CB 4.19Å; I97-A227 HydrophobicContact CG1-CB 4.04Å; I97-I233 HydrophobicContact CB-CD1 4.31Å; I97-I233 HydrophobicContact CG1-CD1 3.98Å; I97-I233 HydrophobicContact CG2-CD1 4.06Å; I97-F237 HydrophobicContact CG2-CE2 3.71Å; I97-F237 HydrophobicContact CG2-CZ 3.99Å |
| 98 | I | 94.2 | Very high | 90.4 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 179.4 | -72.9 | 171.3 | 0 | 0 | 0 | 111.2 | L86 K94 T95 L101 V102 I119 V134 D136 | L86-I98 HydrophobicContact CD1-CD1 4.19Å; L86-I98 HydrophobicContact CD1-CG1 4.4Å; L86-I98 HydrophobicContact CD2-CD1 3.8Å; L86-I98 HydrophobicContact CD2-CG1 3.76Å; L86-I98 HydrophobicContact CG-CD1 4.43Å; K94-I98 PolarHBondContact O-N 2.74Å; T95-I98 PolarHBondContact O-N 2.75Å; I98-L101 WeakPolarHBondContact O-CB 3.41Å; I98-L101 PolarHBondContact O-N 3.05Å; I98-V102 PolarHBondContact O-N 3Å; I98-I119 HydrophobicContact CG2-CB 4.05Å; I98-I119 HydrophobicContact CG2-CD1 3.28Å; I98-I119 HydrophobicContact CG2-CG1 3.6Å; I98-V134 HydrophobicContact CD1-CG1 3.87Å; I98-V134 HydrophobicContact CG1-CG1 3.79Å; I98-D136 HydrophobicContact CD1-CB 3.39Å |
| 99 | R | 92.8 | Very high | 89.5 | Confident | 84 Ų | 84 | 50.5 Ų | 50.5 | 32% | 0.317 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 173 | -73 | -174.3 | -179 | 160.8 | 2 | 112.5 | T95 S96 L101 V102 G103 E104 | T95-R99 WeakPolarHBondContact O-CB 3.42Å; T95-R99 WeakPolarHBondContact O-CG 3.39Å; T95-R99 PolarHBondContact O-N 3.02Å; S96-R99 PolarHBondContact O-N 2.87Å; R99-L101 VanDerWaalsContact C-N 3.26Å; R99-L101 PolarHBondContact O-N 2.86Å; R99-V102 WeakPolarHBondContact O-CG2 3.39Å; R99-V102 PolarHBondContact O-N 2.9Å; R99-V102 VanDerWaalsContact O-N 3.12Å; R99-G103 PolarHBondContact O-N 3.3Å; R99-E104 HydrophobicContact CB-CB 3.96Å; R99-E104 WeakPolarHBondContact CD-OE2 3.24Å; R99-E104 HydrophobicContact CG-CB 4.48Å; R99-E104 VanDerWaalsContact CG-OE2 3.3Å; R99-E104 WeakPolarHBondContact CG-OE2 3.22Å; R99-E104 IonicContact NE-OE2 3.02Å; R99-E104 WeakPolarHBondContact O-CB 3.4Å; R99-E104 PolarHBondContact O-N 3.49Å |
| 100 | A | 94.6 | Very high | 88.5 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 16% | 0.157 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.3 | -35 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | S96 I97 V102 G103 I233 | S96-A100 VanDerWaalsContact O-CB 3.28Å; S96-A100 WeakPolarHBondContact O-CB 3.23Å; S96-A100 PolarHBondContact O-N 3.03Å; I97-A100 PolarHBondContact O-N 2.81Å; A100-V102 VanDerWaalsContact C-N 3.26Å; A100-V102 PolarHBondContact O-N 3.34Å; A100-G103 PolarHBondContact O-N 2.78Å; A100-I233 HydrophobicContact CB-CD1 4.49Å; A100-I233 HydrophobicContact CB-CG1 4.05Å; A100-I233 HydrophobicContact CB-CG2 4.26Å |
| 101 | L | 95 | Very high | 87.7 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.7 | -37 | 175.6 | 171.7 | 64.4 | 0 | 0 | 0 | 111.8 | I97 I98 R99 G103 R121 F123 V134 I233 Q234 F237 | I97-L101 PolarHBondContact O-N 3.05Å; I98-L101 WeakPolarHBondContact O-CB 3.41Å; I98-L101 PolarHBondContact O-N 3.05Å; R99-L101 VanDerWaalsContact C-N 3.26Å; R99-L101 PolarHBondContact O-N 2.86Å; L101-G103 VanDerWaalsContact C-N 3.32Å; L101-R121 HydrophobicContact CD2-CB 4.3Å; L101-R121 HydrophobicContact CD2-CG 4.02Å; L101-R121 HydrophobicContact CG-CG 4.19Å; L101-F123 HydrophobicContact CD1-CE1 4.35Å; L101-F123 HydrophobicContact CD1-CZ 3.73Å; L101-F123 HydrophobicContact CD2-CZ 4.41Å; L101-V134 HydrophobicContact CD2-CG2 4.4Å; L101-I233 HydrophobicContact CB-CG2 3.84Å; L101-Q234 PolarHBondContact O-NE2 2.54Å; L101-F237 HydrophobicContact CB-CD2 4.21Å; L101-F237 HydrophobicContact CB-CE2 4.04Å; L101-F237 HydrophobicContact CD1-CB 4.16Å; L101-F237 HydrophobicContact CD1-CD2 3.72Å; L101-F237 HydrophobicContact CD1-CE2 4.4Å; L101-F237 HydrophobicContact CD1-CG 4.09Å; L101-F237 HydrophobicContact CD2-CD1 4.05Å; L101-F237 HydrophobicContact CD2-CD2 3.71Å; L101-F237 HydrophobicContact CD2-CE1 4.13Å; L101-F237 HydrophobicContact CD2-CE2 3.8Å; L101-F237 HydrophobicContact CD2-CG 3.84Å; L101-F237 HydrophobicContact CD2-CZ 4.01Å; L101-F237 HydrophobicContact CG-CD2 4.06Å; L101-F237 HydrophobicContact CG-CE2 4.27Å |
| 102 | V | 92.6 | Very high | 87 | Confident | 28 Ų | 28 | 58.4 Ų | 58.4 | 17% | 0.17 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 0.7 | -180 | -59.4 | 0 | 0 | 0 | 0 | 114.2 | I98 R99 A100 E104 I119 R121 | I98-V102 PolarHBondContact O-N 3Å; R99-V102 WeakPolarHBondContact O-CG2 3.39Å; R99-V102 PolarHBondContact O-N 2.9Å; R99-V102 VanDerWaalsContact O-N 3.12Å; A100-V102 VanDerWaalsContact C-N 3.26Å; A100-V102 PolarHBondContact O-N 3.34Å; V102-E104 HydrophobicContact CG2-CB 4.16Å; V102-E104 HydrophobicContact CG2-CG 3.75Å; V102-I119 HydrophobicContact CG1-CD1 3.67Å; V102-I119 HydrophobicContact CG1-CG2 3.45Å; V102-I119 VanDerWaalsContact CG1-CG2 3.45Å; V102-I119 HydrophobicContact CG2-CD1 4.12Å; V102-R121 HydrophobicContact CG1-CG 4.22Å; V102-R121 PolarHBondContact O-NH2 2.99Å |
| 103 | G | 89.6 | Confident | 85.9 | Confident | 69 Ų | 69 | 60.2 Ų | 60.2 | 71% | 0.711 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 20 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R99 A100 L101 | R99-G103 PolarHBondContact O-N 3.3Å; A100-G103 PolarHBondContact O-N 2.78Å; L101-G103 VanDerWaalsContact C-N 3.32Å |
| 104 | E | 87.4 | Confident | 84.7 | Confident | 95 Ų | 95 | 67.1 Ų | 67.1 | 44% | 0.444 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 147.6 | 174.3 | -83.8 | 177.1 | -142.3 | 0 | 0 | 111.6 | R99 V102 F106 | R99-E104 HydrophobicContact CB-CB 3.96Å; R99-E104 WeakPolarHBondContact CD-OE2 3.24Å; R99-E104 HydrophobicContact CG-CB 4.48Å; R99-E104 VanDerWaalsContact CG-OE2 3.3Å; R99-E104 WeakPolarHBondContact CG-OE2 3.22Å; R99-E104 IonicContact NE-OE2 3.02Å; R99-E104 WeakPolarHBondContact O-CB 3.4Å; R99-E104 PolarHBondContact O-N 3.49Å; V102-E104 HydrophobicContact CG2-CB 4.16Å; V102-E104 HydrophobicContact CG2-CG 3.75Å; E104-F106 PolarHBondContact O-N 2.72Å |
| 105 | T | 83.2 | Confident | 83.4 | Confident | 102 Ų | 102 | 68 Ų | 68 | 63% | 0.626 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 132.4 | 175.1 | -53.1 | 0 | 0 | 0 | 0 | 110.5 | Y107 | T105-Y107 WeakPolarHBondContact O-CD2 3.25Å; T105-Y107 VanDerWaalsContact O-CE2 3.3Å; T105-Y107 WeakPolarHBondContact O-CE2 3.26Å; T105-Y107 PolarHBondContact O-N 2.89Å |
| 106 | F | 84.4 | Confident | 82.5 | Confident | 69 Ų | 69 | 69.5 Ų | 69.5 | 30% | 0.303 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 129.6 | 175.1 | 179.9 | -96.9 | 0 | 0 | 0 | 111.1 | E104 A227 K228 | E104-F106 PolarHBondContact O-N 2.72Å; F106-A227 HydrophobicContact CE2-CB 4.43Å; F106-K228 HydrophobicContact CD1-CB 4.16Å; F106-K228 HydrophobicContact CD1-CG 3.81Å; F106-K228 HydrophobicContact CD2-CB 4.2Å; F106-K228 HydrophobicContact CE1-CB 4.07Å; F106-K228 HydrophobicContact CE1-CD 4.39Å; F106-K228 HydrophobicContact CE1-CG 3.86Å; F106-K228 HydrophobicContact CE2-CB 4.11Å; F106-K228 HydrophobicContact CG-CB 4.22Å; F106-K228 HydrophobicContact CG-CG 4.24Å; F106-K228 HydrophobicContact CZ-CB 4.04Å; F106-K228 HydrophobicContact CZ-CG 4.34Å |
| 107 | Y | 80.9 | Confident | 82 | Confident | 133 Ų | 133 | 73.3 Ų | 73.3 | 52% | 0.522 | 41% | 0.408 | S | S | . | . | trans | -107.1 | 122.9 | 173.8 | -64.6 | -81.8 | 0 | 0 | 0 | 110 | T105 T109 | T105-Y107 WeakPolarHBondContact O-CD2 3.25Å; T105-Y107 VanDerWaalsContact O-CE2 3.3Å; T105-Y107 WeakPolarHBondContact O-CE2 3.26Å; T105-Y107 PolarHBondContact O-N 2.89Å; Y107-T109 VanDerWaalsContact C-N 3.32Å; Y107-T109 PolarHBondContact O-N 3.33Å | ||
| 108 | Q | 75.7 | Confident | 81.6 | Confident | 142 Ų | 142 | 76 Ų | 76 | 66% | 0.664 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -64.5 | -38.1 | 179.4 | -171.8 | 66.8 | 37.2 | 0 | 0 | 112 | T110 | Q108-T110 PolarHBondContact O-N 3.38Š|
| 109 | T | 71.9 | Confident | 81.4 | Confident | 124 Ų | 124 | 77.2 Ų | 77.2 | 76% | 0.761 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -86.7 | 107.8 | 174.5 | 51.4 | 0 | 0 | 0 | 0 | 109.2 | Y107 | Y107-T109 VanDerWaalsContact C-N 3.32Å; Y107-T109 PolarHBondContact O-N 3.33Å |
| 110 | T | 70.2 | Confident | 81.5 | Confident | 72 Ų | 72 | 78 Ų | 78 | 44% | 0.442 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -101.1 | 128.5 | 172.6 | -45.9 | 0 | 0 | 0 | 0 | 108.7 | Q108 | Q108-T110 PolarHBondContact O-N 3.38Š|
| 111 | I | 72.9 | Confident | 81.5 | Confident | 148 Ų | 148 | 82.2 Ų | 82.2 | 76% | 0.759 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -82 | 140 | 170.2 | -57.8 | 172.4 | 0 | 0 | 0 | 107.2 | T113 | I111-T113 PolarHBondContact O-N 3.39Š|
| 112 | S | 77.7 | Confident | 81.5 | Confident | 79 Ų | 79 | 84.2 Ų | 84.2 | 55% | 0.552 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 125 | 173.3 | -61.7 | 0 | 0 | 0 | 0 | 110.4 | I114 | S112-I114 PolarHBondContact O-N 3.34Š|
| 113 | T | 69.4 | Low | 81.7 | Confident | 40 Ų | 40 | 83.5 Ų | 83.5 | 25% | 0.245 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 120 | 178.6 | -47.6 | 0 | 0 | 0 | 0 | 109.5 | T95 I111 A138 | T95-T113 PolarHBondContact OG1-OG1 3.28Å; I111-T113 PolarHBondContact O-N 3.39Å; T113-A138 WeakPolarHBondContact O-CB 3.28Å |
| 114 | I | 68.9 | Low | 81.9 | Confident | 154 Ų | 154 | 84.4 Ų | 84.4 | 79% | 0.79 | 44% | 0.443 | S | S | * | . | trans | -96.8 | 113.8 | 173.9 | -58.6 | 174.4 | 0 | 0 | 0 | 106.8 | S112 | S112-I114 PolarHBondContact O-N 3.34Š| ||
| 115 | G | 68.6 | Low | 82.2 | Confident | 31 Ų | 31 | 80.2 Ų | 80.2 | 32% | 0.32 | 42% | 0.423 | S | S | . | . | S | Bend | trans | 87 | -153.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A138 | G115-A138 PolarHBondContact O-N 3.47Š|
| 116 | I | 72.6 | Confident | 82.5 | Confident | 47 Ų | 47 | 82.9 Ų | 82.9 | 24% | 0.241 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 127.8 | -178.4 | -52.5 | 178.1 | 0 | 0 | 0 | 108.6 | W135 D136 I146 H150 | I116-W135 HydrophobicContact CG2-CB 4.21Å; I116-W135 HydrophobicContact CG2-CE3 3.61Å; I116-W135 HydrophobicContact CG2-CZ3 4.41Å; I116-D136 WeakPolarHBondContact CA-O 3.36Å; I116-D136 VanDerWaalsContact CG2-O 3.28Å; I116-D136 WeakPolarHBondContact CG2-O 3.37Å; I116-I146 HydrophobicContact CD1-CG2 3.84Å; I116-H150 WeakPolarHBondContact CD1-CD2 3.47Å |
| 117 | D | 82.7 | Confident | 82.6 | Confident | 91 Ų | 91 | 85.5 Ų | 85.5 | 49% | 0.487 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 156.3 | 175.3 | -156.6 | -2.7 | 0 | 0 | 0 | 110.8 | W135 D136 | D117-W135 CarbonylContact O-C 3.56Å; D117-W135 WeakPolarHBondContact O-CA 3.5Å; D117-D136 HydrophobicContact CB-CB 3.98Å; D117-D136 PolarHBondContact N-O 3.23Å; D117-D136 VanDerWaalsContact N-O 3.1Å; D117-D136 PolarHBondContact O-N 3.28Å |
| 118 | L | 87.1 | Confident | 83.1 | Confident | 58 Ų | 58 | 80.4 Ų | 80.4 | 30% | 0.304 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 123.1 | -177.7 | 171.4 | 60.7 | 0 | 0 | 0 | 111.1 | E133 W135 | L118-E133 HydrophobicContact CD1-CB 3.82Å; L118-E133 HydrophobicContact CD1-CG 4.23Å; L118-W135 HydrophobicContact CB-CD2 4.45Å; L118-W135 HydrophobicContact CB-CE3 4.36Å; L118-W135 HydrophobicContact CB-CZ3 4.49Å; L118-W135 HydrophobicContact CD1-CD2 4.04Å; L118-W135 HydrophobicContact CD1-CG 4.17Å; L118-W135 HydrophobicContact CD1-CZ2 4.21Å; L118-W135 HydrophobicContact CD2-CH2 4.09Å; L118-W135 HydrophobicContact CD2-CZ2 3.8Å; L118-W135 HydrophobicContact CG-CZ2 4.47Å |
| 119 | I | 91.8 | Very high | 83.9 | Confident | 29 Ų | 29 | 77 Ų | 77 | 15% | 0.149 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 138.8 | 167.5 | -64.6 | -159.5 | 0 | 0 | 0 | 109.9 | I98 V102 R121 V134 | I98-I119 HydrophobicContact CG2-CB 4.05Å; I98-I119 HydrophobicContact CG2-CD1 3.28Å; I98-I119 HydrophobicContact CG2-CG1 3.6Å; V102-I119 HydrophobicContact CG1-CD1 3.67Å; V102-I119 HydrophobicContact CG1-CG2 3.45Å; V102-I119 VanDerWaalsContact CG1-CG2 3.45Å; V102-I119 HydrophobicContact CG2-CD1 4.12Å; I119-R121 HydrophobicContact CG2-CG 4.03Å; I119-V134 PolarHBondContact N-O 2.81Å; I119-V134 PolarHBondContact O-N 3.09Å |
| 120 | K | 94 | Very high | 85 | Confident | 101 Ų | 101 | 71.1 Ų | 71.1 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.6 | 170.6 | -51.5 | -158 | -175.5 | -161.9 | 0 | 110.5 | Q131 L132 E133 | K120-Q131 HydrophobicContact CB-CG 4.29Å; K120-L132 WeakPolarHBondContact CA-O 3.41Å; K120-E133 HydrophobicContact CD-CG 3.88Å; K120-E133 WeakPolarHBondContact CE-OE1 3.3Å; K120-E133 HydrophobicContact CG-CG 4.01Å; K120-E133 IonicContact NZ-OE1 2.75Å; K120-E133 PolarHBondContact NZ-OE1 2.77Å |
| 121 | R | 94.7 | Very high | 86.2 | Confident | 108 Ų | 108 | 68.7 Ų | 68.7 | 41% | 0.408 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 138.8 | 173.4 | -76.3 | -64.6 | 177.1 | 171.9 | 1 | 111.3 | L101 V102 I119 F123 Q131 L132 | L101-R121 HydrophobicContact CD2-CB 4.3Å; L101-R121 HydrophobicContact CD2-CG 4.02Å; L101-R121 HydrophobicContact CG-CG 4.19Å; V102-R121 HydrophobicContact CG1-CG 4.22Å; V102-R121 PolarHBondContact O-NH2 2.99Å; I119-R121 HydrophobicContact CG2-CG 4.03Å; R121-F123 HydrophobicContact CB-CE2 3.79Å; R121-F123 HydrophobicContact CB-CZ 4.29Å; R121-Q131 CarbonylContact O-C 3.58Å; R121-Q131 WeakPolarHBondContact O-CA 3.27Å; R121-L132 PolarHBondContact N-O 3.42Å; R121-L132 PolarHBondContact O-N 2.93Å |
| 122 | I | 95.1 | Very high | 87.3 | Confident | 48 Ų | 48 | 61.7 Ų | 61.7 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 124.8 | -179.6 | -60.4 | 171.9 | 0 | 0 | 0 | 108.5 | Q76 F78 R129 V130 Q131 | Q76-I122 HydrophobicContact CB-CD1 3.68Å; Q76-I122 VanDerWaalsContact O-CD1 3.27Å; Q76-I122 WeakPolarHBondContact O-CD1 3.3Å; F78-I122 HydrophobicContact CB-CD1 4.41Å; F78-I122 HydrophobicContact CD1-CD1 4.45Å; I122-R129 HydrophobicContact CG2-CB 4.03Å; I122-V130 CarbonylContact C-O 3.57Å; I122-V130 WeakPolarHBondContact CA-O 3.31Å; I122-Q131 HydrophobicContact CG1-CB 4.12Å; I122-Q131 HydrophobicContact CG1-CG 4.35Å |
| 123 | F | 95.9 | Very high | 88.2 | Confident | 14 Ų | 14 | 59.2 Ų | 59.2 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 154.1 | 172.5 | -64 | -93.4 | 0 | 0 | 0 | 109.1 | L101 R121 V130 L132 F237 Q238 A241 | L101-F123 HydrophobicContact CD1-CE1 4.35Å; L101-F123 HydrophobicContact CD1-CZ 3.73Å; L101-F123 HydrophobicContact CD2-CZ 4.41Å; R121-F123 HydrophobicContact CB-CE2 3.79Å; R121-F123 HydrophobicContact CB-CZ 4.29Å; F123-V130 PolarHBondContact N-O 3.39Å; F123-V130 PolarHBondContact O-N 2.91Å; F123-L132 HydrophobicContact CD2-CB 4.44Å; F123-L132 HydrophobicContact CD2-CD1 3.8Å; F123-L132 HydrophobicContact CD2-CG 3.86Å; F123-L132 HydrophobicContact CE2-CB 4.29Å; F123-L132 HydrophobicContact CE2-CD1 3.7Å; F123-L132 HydrophobicContact CE2-CG 4.05Å; F123-F237 HydrophobicContact CE1-CB 3.66Å; F123-F237 HydrophobicContact CE2-CB 3.96Å; F123-F237 HydrophobicContact CZ-CB 3.24Å; F123-F237 HydrophobicContact CZ-CG 4.2Å; F123-Q238 HydrophobicContact CD1-CB 4.39Å; F123-A241 HydrophobicContact CB-CB 3.73Å; F123-A241 HydrophobicContact CD2-CB 4.35Å; F123-A241 HydrophobicContact CG-CB 4.07Å |
| 124 | T | 94.7 | Very high | 89.3 | Confident | 87 Ų | 87 | 57.3 Ų | 57.3 | 53% | 0.534 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 119.4 | 172.4 | -54.6 | 0 | 0 | 0 | 0 | 107.4 | H128 Q238 | T124-H128 WeakPolarHBondContact CA-O 3.28Å; T124-Q238 PolarHBondContact O-NE2 3.1Å |
| 125 | V | 94.3 | Very high | 90.5 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 112.9 | 178.5 | 176.3 | 0 | 0 | 0 | 0 | 106.8 | N127 H128 V130 A241 E242 V245 | V125-N127 PolarHBondContact O-N 3.12Å; V125-N127 VanDerWaalsContact O-N 3.07Å; V125-H128 PolarHBondContact N-O 3.47Å; V125-H128 PolarHBondContact O-N 3.42Å; V125-V130 HydrophobicContact CB-CG2 4.04Å; V125-V130 HydrophobicContact CG2-CB 4.46Å; V125-V130 HydrophobicContact CG2-CG2 3.9Å; V125-A241 HydrophobicContact CG2-CB 3.66Å; V125-E242 HydrophobicContact CG1-CB 4.43Å; V125-E242 HydrophobicContact CG1-CG 3.9Å; V125-E242 HydrophobicContact CG2-CG 4.04Å; V125-V245 HydrophobicContact CB-CG2 4.06Å; V125-V245 HydrophobicContact CG1-CB 3.99Å; V125-V245 HydrophobicContact CG1-CG1 4.24Å; V125-V245 HydrophobicContact CG1-CG2 3.93Å; V125-V245 HydrophobicContact CG2-CG2 4.35Å |
| 126 | E | 89.2 | Confident | 91.4 | Very high | 158 Ų | 158 | 50.3 Ų | 50.3 | 74% | 0.738 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | -112.3 | -167 | -54.4 | 174.3 | 164.5 | 0 | 0 | 109.9 | ||
| 127 | N | 87.2 | Confident | 91.8 | Very high | 124 Ų | 124 | 48.2 Ų | 48.2 | 66% | 0.663 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -5.5 | 174.7 | -68.3 | -38.8 | 0 | 0 | 0 | 113 | V125 R253 | V125-N127 PolarHBondContact O-N 3.12Å; V125-N127 VanDerWaalsContact O-N 3.07Å; N127-R253 PolarHBondContact O-NH1 2.87Å; N127-R253 PolarHBondContact O-NH2 3.32Å |
| 128 | H | 89.9 | Confident | 91.3 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 12% | 0.12 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 141.7 | -174.7 | -61 | 95.5 | 0 | 0 | 0 | 112.6 | D79 T124 V125 V130 A250 | D79-H128 HydrophobicContact CB-CB 4.49Å; D79-H128 WeakPolarHBondContact OD2-CA 3.45Å; T124-H128 WeakPolarHBondContact CA-O 3.28Å; V125-H128 PolarHBondContact N-O 3.47Å; V125-H128 PolarHBondContact O-N 3.42Å; H128-V130 HydrophobicContact CB-CG2 4.48Å; H128-A250 HydrophobicContact CB-CB 3.96Å; H128-A250 VanDerWaalsContact CD2-CB 3.45Å; H128-A250 WeakPolarHBondContact CD2-CB 3.46Å |
| 129 | R | 93 | Very high | 89.9 | Confident | 72 Ų | 72 | 42 Ų | 42 | 27% | 0.272 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 109.8 | 173 | -64.2 | -169 | 64.1 | 176.8 | 5.3 | 109.1 | R77 F78 D79 A80 I122 | R77-R129 VanDerWaalsContact O-CD 3.23Å; R77-R129 WeakPolarHBondContact O-CD 3.31Å; R77-R129 PolarHBondContact O-NE 2.88Å; R77-R129 PolarHBondContact O-NH1 2.86Å; F78-R129 CarbonylContact C-O 3.56Å; F78-R129 HydrophobicContact CB-CB 4.35Å; F78-R129 WeakPolarHBondContact CB-O 3.33Å; D79-R129 PolarHBondContact N-O 3.25Å; D79-R129 PolarHBondContact OD2-N 3.04Å; A80-R129 PolarHBondContact N-O 2.95Å; I122-R129 HydrophobicContact CG2-CB 4.03Å |
| 130 | V | 94.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 114 | -175 | -176.4 | 0 | 0 | 0 | 0 | 109 | F82 I122 F123 V125 H128 L132 A241 V245 | F82-V130 HydrophobicContact CD2-CG1 3.64Å; F82-V130 HydrophobicContact CE2-CG1 3.9Å; I122-V130 CarbonylContact C-O 3.57Å; I122-V130 WeakPolarHBondContact CA-O 3.31Å; F123-V130 PolarHBondContact N-O 3.39Å; F123-V130 PolarHBondContact O-N 2.91Å; V125-V130 HydrophobicContact CB-CG2 4.04Å; V125-V130 HydrophobicContact CG2-CB 4.46Å; V125-V130 HydrophobicContact CG2-CG2 3.9Å; H128-V130 HydrophobicContact CB-CG2 4.48Å; V130-L132 HydrophobicContact CG1-CD2 4.12Å; V130-A241 HydrophobicContact CB-CB 4.42Å; V130-A241 HydrophobicContact CG1-CB 4.26Å; V130-V245 HydrophobicContact CG1-CG2 4.49Å; V130-V245 HydrophobicContact CG2-CG2 3.34Å |
| 131 | Q | 95.8 | Very high | 86.4 | Confident | 21 Ų | 21 | 43.4 Ų | 43.4 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 122.9 | 170.5 | -177.5 | 164.2 | 87.6 | 0 | 0 | 109.6 | F78 A80 N81 F82 K120 R121 I122 | F78-Q131 HydrophobicContact CB-CB 4.01Å; F78-Q131 HydrophobicContact CD1-CB 3.87Å; F78-Q131 HydrophobicContact CD1-CG 4.4Å; F78-Q131 HydrophobicContact CD2-CB 4.05Å; F78-Q131 HydrophobicContact CE1-CB 4.36Å; F78-Q131 HydrophobicContact CG-CB 3.69Å; A80-Q131 PolarHBondContact O-N 2.82Å; N81-Q131 CarbonylContact C-O 3.59Å; N81-Q131 VanDerWaalsContact CA-O 3.31Å; N81-Q131 WeakPolarHBondContact CA-O 3.32Å; N81-Q131 HydrophobicContact CB-CB 4.42Å; N81-Q131 PolarHBondContact OD1-O 2.82Å; F82-Q131 PolarHBondContact N-O 3.25Å; K120-Q131 HydrophobicContact CB-CG 4.29Å; R121-Q131 CarbonylContact O-C 3.58Å; R121-Q131 WeakPolarHBondContact O-CA 3.27Å; I122-Q131 HydrophobicContact CG1-CB 4.12Å; I122-Q131 HydrophobicContact CG1-CG 4.35Å |
| 132 | L | 96.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 123.1 | 164.3 | -59 | -173.1 | 0 | 0 | 0 | 108.7 | F82 V84 K120 R121 F123 V130 V134 F237 V240 A241 M244 | F82-L132 HydrophobicContact CB-CD2 4.16Å; F82-L132 WeakPolarHBondContact O-CA 3.3Å; V84-L132 HydrophobicContact CG2-CB 4.43Å; V84-L132 HydrophobicContact CG2-CD2 4.03Å; K120-L132 WeakPolarHBondContact CA-O 3.41Å; R121-L132 PolarHBondContact N-O 3.42Å; R121-L132 PolarHBondContact O-N 2.93Å; F123-L132 HydrophobicContact CD2-CB 4.44Å; F123-L132 HydrophobicContact CD2-CD1 3.8Å; F123-L132 HydrophobicContact CD2-CG 3.86Å; F123-L132 HydrophobicContact CE2-CB 4.29Å; F123-L132 HydrophobicContact CE2-CD1 3.7Å; F123-L132 HydrophobicContact CE2-CG 4.05Å; V130-L132 HydrophobicContact CG1-CD2 4.12Å; L132-V134 HydrophobicContact CB-CG2 4.02Å; L132-F237 HydrophobicContact CD1-CB 4.41Å; L132-F237 HydrophobicContact CD1-CD1 4.21Å; L132-V240 HydrophobicContact CD1-CB 4.36Å; L132-V240 HydrophobicContact CD1-CG1 3.97Å; L132-A241 HydrophobicContact CD1-CB 4.16Å; L132-A241 HydrophobicContact CD2-CB 4.39Å; L132-A241 HydrophobicContact CG-CB 4.39Å; L132-M244 HydrophobicContact CD2-CG 4.31Å |
| 133 | E | 95.3 | Very high | 82.6 | Confident | 27 Ų | 27 | 48.8 Ų | 48.8 | 13% | 0.126 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 99.4 | 164 | -80.1 | -177.7 | -172.8 | 0 | 0 | 108 | N81 F82 V84 L118 K120 | N81-E133 PolarHBondContact ND2-OE1 3.4Å; N81-E133 WeakPolarHBondContact OD1-CG 3.46Å; F82-E133 PolarHBondContact O-N 2.82Å; V84-E133 PolarHBondContact N-O 3.49Å; L118-E133 HydrophobicContact CD1-CB 3.82Å; L118-E133 HydrophobicContact CD1-CG 4.23Å; K120-E133 HydrophobicContact CD-CG 3.88Å; K120-E133 WeakPolarHBondContact CE-OE1 3.3Å; K120-E133 HydrophobicContact CG-CG 4.01Å; K120-E133 IonicContact NZ-OE1 2.75Å; K120-E133 PolarHBondContact NZ-OE1 2.77Å |
| 134 | V | 94.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 115.6 | -175.2 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | V84 L86 I98 L101 I119 L132 F237 | V84-V134 WeakPolarHBondContact O-CA 3.34Å; L86-V134 HydrophobicContact CD1-CG1 3.32Å; I98-V134 HydrophobicContact CD1-CG1 3.87Å; I98-V134 HydrophobicContact CG1-CG1 3.79Å; L101-V134 HydrophobicContact CD2-CG2 4.4Å; I119-V134 PolarHBondContact N-O 2.81Å; I119-V134 PolarHBondContact O-N 3.09Å; L132-V134 HydrophobicContact CB-CG2 4.02Å; V134-F237 HydrophobicContact CB-CE1 4.39Å; V134-F237 HydrophobicContact CG1-CE1 3.72Å; V134-F237 HydrophobicContact CG1-CZ 4.06Å; V134-F237 HydrophobicContact CG2-CD1 4.08Å; V134-F237 HydrophobicContact CG2-CE1 3.7Å |
| 135 | W | 92.2 | Very high | 79.1 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120.2 | -176.9 | -64.8 | 73.6 | 0 | 0 | 0 | 110.5 | V84 L85 L86 I116 D117 L118 H150 | V84-W135 PolarHBondContact O-N 2.96Å; L85-W135 HydrophobicContact CD1-CB 3.97Å; L85-W135 HydrophobicContact CD1-CG 4.06Å; L85-W135 HydrophobicContact CG-CB 4.11Å; L86-W135 PolarHBondContact N-O 3.39Å; I116-W135 HydrophobicContact CG2-CB 4.21Å; I116-W135 HydrophobicContact CG2-CE3 3.61Å; I116-W135 HydrophobicContact CG2-CZ3 4.41Å; D117-W135 CarbonylContact O-C 3.56Å; D117-W135 WeakPolarHBondContact O-CA 3.5Å; L118-W135 HydrophobicContact CB-CD2 4.45Å; L118-W135 HydrophobicContact CB-CE3 4.36Å; L118-W135 HydrophobicContact CB-CZ3 4.49Å; L118-W135 HydrophobicContact CD1-CD2 4.04Å; L118-W135 HydrophobicContact CD1-CG 4.17Å; L118-W135 HydrophobicContact CD1-CZ2 4.21Å; L118-W135 HydrophobicContact CD2-CH2 4.09Å; L118-W135 HydrophobicContact CD2-CZ2 3.8Å; L118-W135 HydrophobicContact CG-CZ2 4.47Å; W135-H150 AromaticContact CD2-ND1 3.99Å; W135-H150 AromaticContact CE3-CE1 3.65Å; W135-H150 AromaticContact CE3-ND1 3.51Å; W135-H150 AromaticContact CH2-CE1 3.5Å; W135-H150 AromaticContact CH2-ND1 3.72Å; W135-H150 AromaticContact CZ3-CE1 3.08Å; W135-H150 WeakPolarHBondContact CZ3-CE1 3.49Å; W135-H150 AromaticContact CZ3-ND1 3.37Å; W135-H150 WeakPolarHBondContact CZ3-ND1 3.3Å |
| 136 | D | 88.2 | Confident | 77.5 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.011 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 103.4 | 173.6 | -168.6 | 20.1 | 0 | 0 | 0 | 109.5 | K94 T95 I98 I116 D117 | K94-D136 WeakPolarHBondContact CB-OD1 3.39Å; T95-D136 WeakPolarHBondContact CA-OD2 3.44Å; T95-D136 WeakPolarHBondContact CB-OD2 3.45Å; T95-D136 WeakPolarHBondContact CG2-OD2 3.23Å; T95-D136 PolarHBondContact N-OD1 3.41Å; T95-D136 PolarHBondContact OG1-OD1 3.4Å; T95-D136 PolarHBondContact OG1-OD2 3.03Å; I98-D136 HydrophobicContact CD1-CB 3.39Å; I116-D136 WeakPolarHBondContact CA-O 3.36Å; I116-D136 VanDerWaalsContact CG2-O 3.28Å; I116-D136 WeakPolarHBondContact CG2-O 3.37Å; D117-D136 HydrophobicContact CB-CB 3.98Å; D117-D136 PolarHBondContact N-O 3.23Å; D117-D136 VanDerWaalsContact N-O 3.1Å; D117-D136 PolarHBondContact O-N 3.28Å |
| 137 | T | 80.6 | Confident | 76.4 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.012 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 141.4 | 174.7 | 73.4 | 0 | 0 | 0 | 0 | 110.4 | L85 L86 L87 K94 G139 | L85-T137 HydrophobicContact CG-CG2 4.49Å; L86-T137 PolarHBondContact O-OG1 2.82Å; L87-T137 HydrophobicContact CD2-CG2 4.31Å; K94-T137 WeakPolarHBondContact CE-O 3.49Å; T137-G139 PolarHBondContact O-N 2.94Å |
| 138 | A | 72.2 | Confident | 75.6 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 10% | 0.099 | 23% | 0.231 | C | C | . | . | trans | -51.7 | 132.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T113 G115 Q140 | T113-A138 WeakPolarHBondContact O-CB 3.28Å; G115-A138 PolarHBondContact O-N 3.47Å; A138-Q140 PolarHBondContact O-N 3.5Å; A138-Q140 VanDerWaalsContact O-N 3.07Å | ||
| 139 | G | 58.8 | Low | 74.8 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 7% | 0.072 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -77.3 | 20.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S90 T137 | S90-G139 WeakPolarHBondContact CA-O 3.43Å; S90-G139 WeakPolarHBondContact CB-O 3.5Å; S90-G139 PolarHBondContact N-O 2.59Å; T137-G139 PolarHBondContact O-N 2.94Å |
| 140 | Q | 56.9 | Low | 74.1 | Confident | 91 Ų | 91 | 49.5 Ų | 49.5 | 43% | 0.425 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -131.8 | 105.5 | 178.5 | -76.5 | -82 | -19.6 | 0 | 0 | 106 | A138 Q142 | A138-Q140 PolarHBondContact O-N 3.5Å; A138-Q140 VanDerWaalsContact O-N 3.07Å; Q140-Q142 PolarHBondContact O-N 3.28Å |
| 141 | E | 55.3 | Low | 73.5 | Confident | 69 Ų | 69 | 49.7 Ų | 49.7 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -70.8 | 11.9 | -172 | 54.1 | -78.1 | 169 | 0 | 0 | 114.8 | Y143 H144 Y175 | E141-Y143 PolarHBondContact O-N 3.31Å; E141-H144 PolarHBondContact O-CD2 3.47Å; E141-H144 VanDerWaalsContact O-CD2 3.27Å; E141-H144 PolarHBondContact O-CE1 2.98Å; E141-H144 VanDerWaalsContact O-CE1 3.28Å; E141-H144 VanDerWaalsContact O-CG 3.29Å; E141-H144 PolarHBondContact O-N 3.12Å; E141-H144 PolarHBondContact O-ND1 3.04Å; E141-H144 PolarHBondContact O-NE2 3.4Å; E141-Y175 HydrophobicContact CB-CE1 4.41Å; E141-Y175 WeakPolarHBondContact CB-OH 3.28Å; E141-Y175 HydrophobicContact CG-CE1 4.43Å |
| 142 | Q | 54.1 | Low | 72.8 | Confident | 147 Ų | 147 | 57.2 Ų | 57.2 | 69% | 0.687 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -62.2 | -9.4 | -179.1 | -60.3 | -174.9 | 15.4 | 0 | 0 | 113.9 | Q140 | Q140-Q142 PolarHBondContact O-N 3.28Š|
| 143 | Y | 55.8 | Low | 72.3 | Confident | 122 Ų | 122 | 63.1 Ų | 63.1 | 48% | 0.478 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -115.1 | 43.9 | 177 | -52.3 | -71.3 | 0 | 0 | 0 | 113 | E141 S145 I146 V147 | E141-Y143 PolarHBondContact O-N 3.31Å; Y143-S145 PolarHBondContact O-N 2.85Å; Y143-I146 PolarHBondContact O-N 2.91Å; Y143-V147 PolarHBondContact O-N 2.82Å |
| 144 | H | 57.7 | Low | 72.2 | Confident | 105 Ų | 105 | 61.9 Ų | 61.9 | 49% | 0.486 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -40.5 | -43 | 179.6 | -66.4 | -64.6 | 0 | 0 | 0 | 113.4 | E141 I146 V147 S148 Y175 | E141-H144 PolarHBondContact O-CD2 3.47Å; E141-H144 VanDerWaalsContact O-CD2 3.27Å; E141-H144 PolarHBondContact O-CE1 2.98Å; E141-H144 VanDerWaalsContact O-CE1 3.28Å; E141-H144 VanDerWaalsContact O-CG 3.29Å; E141-H144 PolarHBondContact O-N 3.12Å; E141-H144 PolarHBondContact O-ND1 3.04Å; E141-H144 PolarHBondContact O-NE2 3.4Å; H144-I146 PolarHBondContact O-N 2.98Å; H144-V147 PolarHBondContact O-N 2.7Å; H144-S148 WeakPolarHBondContact O-CB 3.49Å; H144-S148 PolarHBondContact O-N 3.29Å; H144-S148 PolarHBondContact O-OG 3.26Å; H144-Y175 PolarHBondContact CE1-OH 2.84Å; H144-Y175 PolarHBondContact ND1-OH 2.82Å |
| 145 | S | 59.6 | Low | 72.2 | Confident | 90 Ų | 90 | 65.4 Ų | 65.4 | 63% | 0.629 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.6 | -36.7 | -178.2 | 58.4 | 0 | 0 | 0 | 0 | 115 | Y143 | Y143-S145 PolarHBondContact O-N 2.85Å |
| 146 | I | 60.2 | Low | 72.4 | Confident | 82 Ų | 82 | 63.7 Ų | 63.7 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.1 | -44.1 | 177.5 | -60 | 178.8 | 0 | 0 | 0 | 108.5 | I116 Y143 H144 S148 L149 H150 | I116-I146 HydrophobicContact CD1-CG2 3.84Å; Y143-I146 PolarHBondContact O-N 2.91Å; H144-I146 PolarHBondContact O-N 2.98Å; I146-S148 PolarHBondContact O-N 3.41Å; I146-L149 PolarHBondContact O-N 3.47Å; I146-H150 PolarHBondContact O-CD2 2.79Å; I146-H150 VanDerWaalsContact O-CD2 3.27Å |
| 147 | V | 65.7 | Low | 72.7 | Confident | 31 Ų | 31 | 63.6 Ų | 63.6 | 19% | 0.188 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -44 | -180 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | Y143 H144 L149 H150 F151 | Y143-V147 PolarHBondContact O-N 2.82Å; H144-V147 PolarHBondContact O-N 2.7Å; V147-L149 VanDerWaalsContact C-N 3.26Å; V147-L149 PolarHBondContact O-N 2.95Å; V147-H150 PolarHBondContact O-N 2.81Å; V147-F151 HydrophobicContact CG1-CD2 3.59Å; V147-F151 HydrophobicContact CG1-CE2 3.11Å; V147-F151 HydrophobicContact CG1-CZ 3.96Å; V147-F151 WeakPolarHBondContact O-CD2 3.41Å; V147-F151 PolarHBondContact O-N 3.34Å; V147-F151 VanDerWaalsContact O-N 3.1Å |
| 148 | S | 71 | Confident | 73.5 | Confident | 37 Ų | 37 | 63.5 Ų | 63.5 | 26% | 0.259 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -55.5 | -35.1 | 178.9 | -60.4 | 0 | 0 | 0 | 0 | 114.1 | H144 I146 F151 H183 | H144-S148 WeakPolarHBondContact O-CB 3.49Å; H144-S148 PolarHBondContact O-N 3.29Å; H144-S148 PolarHBondContact O-OG 3.26Å; I146-S148 PolarHBondContact O-N 3.41Å; S148-F151 PolarHBondContact O-N 3.32Å; S148-H183 WeakPolarHBondContact CB-NE2 3.47Å; S148-H183 PolarHBondContact OG-CD2 3.34Å; S148-H183 PolarHBondContact OG-NE2 2.93Å |
| 149 | L | 73.6 | Confident | 74.6 | Confident | 120 Ų | 120 | 62.9 Ų | 62.9 | 63% | 0.628 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -68.3 | -38.6 | 178.3 | -70.8 | 172.7 | 0 | 0 | 0 | 112 | I146 V147 | I146-L149 PolarHBondContact O-N 3.47Å; V147-L149 VanDerWaalsContact C-N 3.26Å; V147-L149 PolarHBondContact O-N 2.95Å |
| 150 | H | 78.5 | Confident | 76.5 | Confident | 37 Ų | 37 | 62.6 Ų | 62.6 | 17% | 0.171 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75 | -27.5 | 178.9 | -68.8 | -82.3 | 0 | 0 | 0 | 112.4 | L85 I116 W135 I146 V147 E153 A154 | L85-H150 HydrophobicContact CD2-CB 3.9Å; I116-H150 WeakPolarHBondContact CD1-CD2 3.47Å; W135-H150 AromaticContact CD2-ND1 3.99Å; W135-H150 AromaticContact CE3-CE1 3.65Å; W135-H150 AromaticContact CE3-ND1 3.51Å; W135-H150 AromaticContact CH2-CE1 3.5Å; W135-H150 AromaticContact CH2-ND1 3.72Å; W135-H150 AromaticContact CZ3-CE1 3.08Å; W135-H150 WeakPolarHBondContact CZ3-CE1 3.49Å; W135-H150 AromaticContact CZ3-ND1 3.37Å; W135-H150 WeakPolarHBondContact CZ3-ND1 3.3Å; I146-H150 PolarHBondContact O-CD2 2.79Å; I146-H150 VanDerWaalsContact O-CD2 3.27Å; V147-H150 PolarHBondContact O-N 2.81Å; H150-E153 PolarHBondContact O-N 3.11Å; H150-A154 PolarHBondContact O-N 3.2Å |
| 151 | F | 81.5 | Confident | 78.4 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59 | -51 | 175.7 | -87.5 | -127.6 | 0 | 0 | 0 | 111.2 | L85 L87 V147 S148 E153 A154 F157 V180 H183 | L85-F151 HydrophobicContact CD2-CD2 3.66Å; L85-F151 HydrophobicContact CD2-CE2 4.01Å; L85-F151 HydrophobicContact CD2-CG 4.46Å; L87-F151 HydrophobicContact CD1-CE1 4.09Å; L87-F151 HydrophobicContact CD1-CE2 4.43Å; L87-F151 HydrophobicContact CD1-CZ 3.65Å; L87-F151 HydrophobicContact CD2-CE2 3.65Å; L87-F151 HydrophobicContact CD2-CZ 3.58Å; L87-F151 HydrophobicContact CG-CZ 4.28Å; V147-F151 HydrophobicContact CG1-CD2 3.59Å; V147-F151 HydrophobicContact CG1-CE2 3.11Å; V147-F151 HydrophobicContact CG1-CZ 3.96Å; V147-F151 WeakPolarHBondContact O-CD2 3.41Å; V147-F151 PolarHBondContact O-N 3.34Å; V147-F151 VanDerWaalsContact O-N 3.1Å; S148-F151 PolarHBondContact O-N 3.32Å; F151-E153 PolarHBondContact O-N 3.31Å; F151-A154 WeakPolarHBondContact O-CB 3.42Å; F151-A154 PolarHBondContact O-N 2.82Å; F151-F157 HydrophobicContact CB-CZ 4.22Å; F151-F157 AromaticContact CD1-CE1 3.79Å; F151-F157 HydrophobicContact CD1-CE1 3.79Å; F151-F157 AromaticContact CD1-CZ 3.75Å; F151-F157 HydrophobicContact CD1-CZ 3.75Å; F151-F157 HydrophobicContact CD2-CE1 4.1Å; F151-F157 AromaticContact CE1-CE1 3.94Å; F151-F157 HydrophobicContact CE1-CE1 3.94Å; F151-F157 HydrophobicContact CE1-CZ 4.27Å; F151-F157 HydrophobicContact CE2-CE1 4.18Å; F151-F157 AromaticContact CG-CE1 3.91Å; F151-F157 HydrophobicContact CG-CE1 3.91Å; F151-F157 AromaticContact CG-CZ 3.96Å; F151-F157 HydrophobicContact CG-CZ 3.96Å; F151-F157 HydrophobicContact CZ-CE1 4.15Å; F151-V180 HydrophobicContact CE1-CG2 4.14Å; F151-H183 HydrophobicContact CB-CB 3.72Å; F151-H183 HydrophobicContact CD1-CB 3.73Å; F151-H183 AromaticContact CD1-CG 3.96Å; F151-H183 HydrophobicContact CG-CB 4.11Å |
| 152 | R | 81.9 | Confident | 80.4 | Confident | 180 Ų | 180 | 55.6 Ų | 55.6 | 68% | 0.679 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -57.1 | -30.3 | -175.6 | -174 | 178.7 | -68.6 | 157.5 | 0.5 | 114.2 | ||
| 153 | E | 85.9 | Confident | 82.5 | Confident | 124 Ų | 124 | 48.6 Ų | 48.6 | 58% | 0.579 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -93 | -7.6 | -179.6 | -64 | -179 | 177 | 0 | 0 | 113 | K83 H150 F151 | K83-E153 HydrophobicContact CD-CB 3.64Å; K83-E153 IonicContact NZ-OE2 3.94Å; K83-E153 PolarHBondContact NZ-OE2 2.99Å; H150-E153 PolarHBondContact O-N 3.11Å; F151-E153 PolarHBondContact O-N 3.31Å |
| 154 | A | 92.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -68.2 | 134.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L85 H150 F151 F157 M184 | L85-A154 HydrophobicContact CD1-CB 3.77Å; L85-A154 HydrophobicContact CD2-CB 4.25Å; L85-A154 HydrophobicContact CG-CB 4.41Å; H150-A154 PolarHBondContact O-N 3.2Å; F151-A154 WeakPolarHBondContact O-CB 3.42Å; F151-A154 PolarHBondContact O-N 2.82Å; A154-F157 HydrophobicContact CB-CE1 3.9Å; A154-F157 HydrophobicContact CB-CE2 3.91Å; A154-F157 HydrophobicContact CB-CZ 3.53Å; A154-M184 WeakPolarHBondContact O-CE 3.23Å | ||
| 155 | K | 94.1 | Very high | 86.3 | Confident | 75 Ų | 75 | 41.4 Ų | 41.4 | 33% | 0.326 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -103.8 | -9.5 | 173 | -64 | -57 | -172.4 | 179 | 0 | 112.8 | F82 K83 P189 M244 W248 | F82-K155 HydrophobicContact CD1-CB 4.2Å; F82-K155 HydrophobicContact CD1-CG 4.2Å; K83-K155 PolarHBondContact O-N 3.47Å; K155-P189 WeakPolarHBondContact O-CD 3.44Å; K155-M244 HydrophobicContact CB-SD 3.97Å; K155-M244 VanDerWaalsContact O-SD 3.42Å; K155-W248 HydrophobicContact CD-CD2 4.31Å; K155-W248 HydrophobicContact CD-CH2 4.3Å; K155-W248 HydrophobicContact CD-CZ2 3.91Å; K155-W248 PolarHBondContact O-NE1 2.95Å |
| 156 | C | 95.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 145.5 | 174.8 | -169.9 | 0 | 0 | 0 | 0 | 110.4 | V84 L85 P189 V240 M244 | V84-C156 WeakPolarHBondContact CA-O 3.44Å; V84-C156 HydrophobicContact CB-CB 4.47Å; V84-C156 HydrophobicContact CG1-CB 4.13Å; V84-C156 HydrophobicContact CG2-CB 4.07Å; L85-C156 PolarHBondContact N-O 2.8Å; C156-P189 WeakPolarHBondContact CA-O 3.39Å; C156-V240 HydrophobicContact CB-CG1 4.41Å; C156-M244 HydrophobicContact CB-CE 3.5Å; C156-M244 VanDerWaalsContact CB-CE 3.5Å; C156-M244 HydrophobicContact CB-SD 3.74Å |
| 157 | F | 95.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 138.3 | 167.6 | -66 | -84.1 | 0 | 0 | 0 | 110.9 | L85 L87 F151 A154 V180 M184 V188 P189 V190 F191 | L85-F157 HydrophobicContact CB-CD1 3.78Å; L85-F157 HydrophobicContact CB-CE1 3.93Å; L85-F157 HydrophobicContact CD2-CD1 4.49Å; L85-F157 HydrophobicContact CD2-CE1 3.81Å; L85-F157 HydrophobicContact CG-CE1 4.49Å; L85-F157 WeakPolarHBondContact O-CA 3.34Å; L87-F157 HydrophobicContact CD1-CB 4.44Å; L87-F157 HydrophobicContact CD1-CD1 3.52Å; L87-F157 HydrophobicContact CD1-CE1 4.08Å; L87-F157 HydrophobicContact CD1-CG 4.26Å; L87-F157 HydrophobicContact CD2-CD1 4.49Å; L87-F157 HydrophobicContact CG-CD1 3.96Å; F151-F157 HydrophobicContact CB-CZ 4.22Å; F151-F157 AromaticContact CD1-CE1 3.79Å; F151-F157 HydrophobicContact CD1-CE1 3.79Å; F151-F157 AromaticContact CD1-CZ 3.75Å; F151-F157 HydrophobicContact CD1-CZ 3.75Å; F151-F157 HydrophobicContact CD2-CE1 4.1Å; F151-F157 AromaticContact CE1-CE1 3.94Å; F151-F157 HydrophobicContact CE1-CE1 3.94Å; F151-F157 HydrophobicContact CE1-CZ 4.27Å; F151-F157 HydrophobicContact CE2-CE1 4.18Å; F151-F157 AromaticContact CG-CE1 3.91Å; F151-F157 HydrophobicContact CG-CE1 3.91Å; F151-F157 AromaticContact CG-CZ 3.96Å; F151-F157 HydrophobicContact CG-CZ 3.96Å; F151-F157 HydrophobicContact CZ-CE1 4.15Å; A154-F157 HydrophobicContact CB-CE1 3.9Å; A154-F157 HydrophobicContact CB-CE2 3.91Å; A154-F157 HydrophobicContact CB-CZ 3.53Å; F157-V180 HydrophobicContact CB-CG2 4.35Å; F157-V180 HydrophobicContact CD1-CG2 4.01Å; F157-V180 HydrophobicContact CD2-CB 4.48Å; F157-V180 HydrophobicContact CD2-CG1 3.72Å; F157-V180 HydrophobicContact CD2-CG2 3.88Å; F157-V180 HydrophobicContact CE1-CG2 4.22Å; F157-V180 HydrophobicContact CE2-CB 4.48Å; F157-V180 HydrophobicContact CE2-CG1 3.68Å; F157-V180 HydrophobicContact CE2-CG2 4.12Å; F157-V180 HydrophobicContact CG-CG1 4.48Å; F157-V180 HydrophobicContact CG-CG2 3.82Å; F157-V180 HydrophobicContact CZ-CG1 4.4Å; F157-V180 HydrophobicContact CZ-CG2 4.27Å; F157-M184 HydrophobicContact CE2-CE 4.09Å; F157-M184 HydrophobicContact CE2-CG 3.78Å; F157-M184 HydrophobicContact CE2-SD 3.88Å; F157-M184 HydrophobicContact CZ-CG 4.17Å; F157-M184 HydrophobicContact CZ-SD 3.94Å; F157-V188 HydrophobicContact CD2-CG2 3.6Å; F157-V188 HydrophobicContact CE2-CG2 3.65Å; F157-P189 PolarHBondContact N-O 3.32Å; F157-V190 HydrophobicContact CB-CG2 4.39Å; F157-V190 CarbonylContact O-C 3.4Å; F157-V190 WeakPolarHBondContact O-CA 3.34Å; F157-F191 PolarHBondContact O-N 3.01Å |
| 158 | I | 97.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 109.5 | 170.7 | -59.6 | 177.5 | 0 | 0 | 0 | 106.8 | V84 L85 L86 L87 V160 F191 V193 L236 F237 V240 | V84-I158 HydrophobicContact CG1-CD1 3.67Å; V84-I158 HydrophobicContact CG1-CG1 3.82Å; L85-I158 PolarHBondContact O-N 3.14Å; L86-I158 CarbonylContact C-O 3.6Å; L86-I158 WeakPolarHBondContact CA-O 3.45Å; L86-I158 HydrophobicContact CD1-CB 4.37Å; L86-I158 HydrophobicContact CD1-CD1 4.1Å; L86-I158 HydrophobicContact CG-CB 4.17Å; L86-I158 HydrophobicContact CG-CG2 4.4Å; L87-I158 PolarHBondContact N-O 3.07Å; I158-V160 HydrophobicContact CG2-CG2 4.07Å; I158-F191 CarbonylContact C-O 3.58Å; I158-F191 WeakPolarHBondContact CA-O 3.31Å; I158-F191 HydrophobicContact CG1-CB 4.44Å; I158-V193 HydrophobicContact CG2-CB 4.32Å; I158-V193 HydrophobicContact CG2-CG2 3.4Å; I158-V193 VanDerWaalsContact CG2-CG2 3.4Å; I158-L236 HydrophobicContact CG2-CD2 4.43Å; I158-F237 HydrophobicContact CD1-CD1 4.25Å; I158-F237 HydrophobicContact CD1-CE1 3.74Å; I158-F237 HydrophobicContact CD1-CZ 4.28Å; I158-V240 HydrophobicContact CD1-CG2 3.97Å; I158-V240 HydrophobicContact CG1-CG2 4.28Å |
| 159 | I | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 113.7 | -179.9 | -47.4 | -174.9 | 0 | 0 | 0 | 108.8 | L87 I172 W176 L177 V190 F191 F192 V193 | L87-I159 HydrophobicContact CB-CG1 4.29Å; L87-I159 HydrophobicContact CD1-CG1 4.47Å; I159-I172 HydrophobicContact CG2-CB 4.46Å; I159-I172 HydrophobicContact CG2-CG1 3.96Å; I159-I172 HydrophobicContact CG2-CG2 4.16Å; I159-W176 HydrophobicContact CD1-CB 3.96Å; I159-W176 HydrophobicContact CG2-CB 3.78Å; I159-W176 HydrophobicContact CG2-CG 4Å; I159-L177 HydrophobicContact CD1-CD2 3.77Å; I159-L177 HydrophobicContact CD1-CG 4.11Å; I159-V190 HydrophobicContact CD1-CG1 3.94Å; I159-V190 HydrophobicContact CG1-CG1 4.09Å; I159-F191 PolarHBondContact N-O 3.29Å; I159-F192 HydrophobicContact CB-CD1 4.05Å; I159-F192 HydrophobicContact CB-CE1 4.39Å; I159-F192 HydrophobicContact CD1-CE1 4.06Å; I159-F192 HydrophobicContact CG1-CE1 4.45Å; I159-F192 WeakPolarHBondContact O-CA 3.42Å; I159-V193 PolarHBondContact O-N 3.02Å |
| 160 | V | 97.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.4 | -173.7 | -170.7 | 0 | 0 | 0 | 0 | 110.1 | L86 L87 G88 V92 K94 I97 I158 V193 N195 | L86-V160 HydrophobicContact CD2-CG2 4.39Å; L87-V160 PolarHBondContact O-N 3.4Å; G88-V160 WeakPolarHBondContact CA-O 3.48Å; V92-V160 HydrophobicContact CB-CG1 4.29Å; V92-V160 HydrophobicContact CG2-CB 3.93Å; V92-V160 HydrophobicContact CG2-CG1 3.88Å; K94-V160 HydrophobicContact CG-CB 4.2Å; K94-V160 HydrophobicContact CG-CG2 4.16Å; I97-V160 HydrophobicContact CD1-CG1 3.68Å; I97-V160 HydrophobicContact CD1-CG2 4.04Å; I158-V160 HydrophobicContact CG2-CG2 4.07Å; V160-V193 WeakPolarHBondContact CA-O 3.48Å; V160-V193 HydrophobicContact CG1-CB 4.4Å; V160-V193 HydrophobicContact CG1-CG1 4.31Å; V160-V193 HydrophobicContact CG2-CB 4.2Å; V160-N195 HydrophobicContact CG1-CB 3.84Å |
| 161 | Y | 97.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 163.6 | 167.6 | 73.2 | -85.2 | 0 | 0 | 0 | 110.7 | V163 F169 I172 V193 A194 N195 V205 F222 | Y161-V163 HydrophobicContact CE2-CG1 4.19Å; Y161-F169 HydrophobicContact CD1-CD2 4.17Å; Y161-F169 HydrophobicContact CD2-CB 3.86Å; Y161-F169 AromaticContact CD2-CD2 3.95Å; Y161-F169 HydrophobicContact CD2-CD2 3.95Å; Y161-F169 HydrophobicContact CD2-CG 4.37Å; Y161-F169 AromaticContact CE1-CD2 3.93Å; Y161-F169 HydrophobicContact CE1-CD2 3.93Å; Y161-F169 HydrophobicContact CE1-CE2 4.36Å; Y161-F169 HydrophobicContact CE2-CB 4.28Å; Y161-F169 AromaticContact CE2-CD2 3.72Å; Y161-F169 HydrophobicContact CE2-CD2 3.72Å; Y161-F169 HydrophobicContact CE2-CG 4.37Å; Y161-F169 HydrophobicContact CG-CB 4.25Å; Y161-F169 HydrophobicContact CG-CD2 4.14Å; Y161-F169 AromaticContact CZ-CD2 3.67Å; Y161-I172 HydrophobicContact CD1-CD1 3.54Å; Y161-I172 HydrophobicContact CE1-CD1 4.2Å; Y161-I172 HydrophobicContact CG-CD1 4.03Å; Y161-V193 VanDerWaalsContact CD1-O 3.23Å; Y161-V193 WeakPolarHBondContact CD1-O 3.5Å; Y161-V193 PolarHBondContact N-O 3.25Å; Y161-A194 HydrophobicContact CE1-CB 3.69Å; Y161-A194 HydrophobicContact CE2-CB 4Å; Y161-A194 VanDerWaalsContact OH-CB 3.29Å; Y161-A194 WeakPolarHBondContact OH-CB 3.44Å; Y161-N195 WeakPolarHBondContact O-CB 3.29Å; Y161-N195 PolarHBondContact O-N 3.35Å; Y161-V205 HydrophobicContact CD2-CG2 4.5Å; Y161-V205 HydrophobicContact CE2-CB 3.92Å; Y161-V205 HydrophobicContact CE2-CG1 3.69Å; Y161-V205 HydrophobicContact CE2-CG2 4.21Å; Y161-F222 HydrophobicContact CE1-CE2 4.2Å |
| 162 | D | 97.1 | Very high | 94.9 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 6% | 0.059 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.2 | 175.7 | 176.5 | -10.6 | 0 | 0 | 0 | 109.1 | V92 T164 D165 S168 K196 | V92-D162 HydrophobicContact CB-CB 4.39Å; V92-D162 HydrophobicContact CG1-CB 4.34Å; D162-T164 PolarHBondContact O-N 3.35Å; D162-T164 WeakPolarHBondContact OD1-CB 3.43Å; D162-T164 PolarHBondContact OD1-N 3.05Å; D162-T164 PolarHBondContact OD1-OG1 3.04Å; D162-T164 PolarHBondContact OD2-OG1 2.75Å; D162-D165 HydrophobicContact CB-CB 4.08Å; D162-D165 PolarHBondContact O-N 2.96Å; D162-S168 PolarHBondContact N-OG 2.94Å; D162-S168 PolarHBondContact O-OG 3.48Å; D162-K196 HydrophobicContact CB-CD 4.46Å; D162-K196 VanDerWaalsContact OD2-CD 3.27Å; D162-K196 WeakPolarHBondContact OD2-CD 3.37Å; D162-K196 WeakPolarHBondContact OD2-CE 3.42Å; D162-K196 IonicContact OD2-NZ 2.65Å; D162-K196 PolarHBondContact OD2-NZ 3.16Å |
| 163 | V | 98.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -16.4 | -179.6 | -62.3 | 0 | 0 | 0 | 0 | 114 | Y161 A194 N195 I197 K203 K204 V205 | Y161-V163 HydrophobicContact CE2-CG1 4.19Å; V163-A194 HydrophobicContact CG1-CB 3.73Å; V163-N195 WeakPolarHBondContact CG1-O 3.35Å; V163-N195 WeakPolarHBondContact CG2-O 3.49Å; V163-N195 PolarHBondContact N-O 2.84Å; V163-I197 HydrophobicContact CG1-CG2 4.03Å; V163-K203 HydrophobicContact CB-CG 4.2Å; V163-K203 HydrophobicContact CG2-CG 4.44Å; V163-K204 PolarHBondContact O-N 2.88Å; V163-V205 PolarHBondContact O-N 2.9Å; V163-V205 VanDerWaalsContact O-N 3.09Å |
| 164 | T | 97.4 | Very high | 95.8 | Very high | 28 Ų | 28 | 34.4 Ų | 34.4 | 17% | 0.172 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -3.6 | 177 | 72.8 | 0 | 0 | 0 | 0 | 113.6 | D162 T199 D202 K204 | D162-T164 PolarHBondContact O-N 3.35Å; D162-T164 WeakPolarHBondContact OD1-CB 3.43Å; D162-T164 PolarHBondContact OD1-N 3.05Å; D162-T164 PolarHBondContact OD1-OG1 3.04Å; D162-T164 PolarHBondContact OD2-OG1 2.75Å; T164-T199 HydrophobicContact CG2-CG2 4.05Å; T164-D202 WeakPolarHBondContact CA-O 3.44Å; T164-D202 WeakPolarHBondContact CB-O 3.35Å; T164-D202 HydrophobicContact CG2-CB 3.84Å; T164-K204 WeakPolarHBondContact O-CD 3.36Å; T164-K204 WeakPolarHBondContact O-CE 3.19Å; T164-K204 PolarHBondContact O-NZ 3.08Å |
| 165 | D | 96.3 | Very high | 95.8 | Very high | 48 Ų | 48 | 37.3 Ų | 37.3 | 26% | 0.257 | 17% | 0.169 | S | C | . | . | trans | -126.8 | 98.6 | -178.1 | -179.2 | 13.3 | 0 | 0 | 0 | 111.5 | D162 E167 S168 F169 | D162-D165 HydrophobicContact CB-CB 4.08Å; D162-D165 PolarHBondContact O-N 2.96Å; D165-E167 PolarHBondContact O-N 2.83Å; D165-E167 WeakPolarHBondContact OD1-CB 3.33Å; D165-E167 PolarHBondContact OD1-N 2.84Å; D165-S168 PolarHBondContact O-N 2.96Å; D165-S168 PolarHBondContact O-OG 2.92Å; D165-S168 WeakPolarHBondContact OD2-CB 3.34Å; D165-S168 PolarHBondContact OD2-N 2.9Å; D165-F169 PolarHBondContact O-N 3.39Å | ||
| 166 | M | 97 | Very high | 95.7 | Very high | 55 Ų | 55 | 34.2 Ų | 34.2 | 27% | 0.271 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.2 | -32.7 | 176.7 | -175.3 | 64.2 | 82.8 | 0 | 0 | 112.3 | S168 F169 E170 K204 V205 | M166-S168 PolarHBondContact O-N 3.42Å; M166-F169 WeakPolarHBondContact O-CB 3.39Å; M166-F169 PolarHBondContact O-N 2.9Å; M166-F169 HydrophobicContact SD-CD1 3.95Å; M166-E170 HydrophobicContact CG-CG 4.41Å; M166-E170 WeakPolarHBondContact O-CG 3.45Å; M166-E170 PolarHBondContact O-N 3.41Å; M166-K204 WeakPolarHBondContact CE-O 3.5Å; M166-V205 HydrophobicContact CE-CG2 4.32Å; M166-V205 HydrophobicContact SD-CG2 3.91Å |
| 167 | E | 96.2 | Very high | 95.5 | Very high | 117 Ų | 117 | 35 Ų | 35 | 55% | 0.547 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.4 | -44.3 | 179.3 | -175.6 | 175.7 | -172.8 | 0 | 0 | 110.4 | D165 F169 E170 Q171 | D165-E167 PolarHBondContact O-N 2.83Å; D165-E167 WeakPolarHBondContact OD1-CB 3.33Å; D165-E167 PolarHBondContact OD1-N 2.84Å; E167-F169 PolarHBondContact O-N 3.37Å; E167-E170 PolarHBondContact O-N 3.22Å; E167-Q171 HydrophobicContact CG-CG 4.41Å; E167-Q171 VanDerWaalsContact O-CG 3.3Å; E167-Q171 WeakPolarHBondContact O-CG 3.1Å; E167-Q171 PolarHBondContact O-N 2.82Å |
| 168 | S | 95.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.1 | -34.2 | 175.9 | 76.3 | 0 | 0 | 0 | 0 | 113.3 | D162 D165 M166 | D162-S168 PolarHBondContact N-OG 2.94Å; D162-S168 PolarHBondContact O-OG 3.48Å; D165-S168 PolarHBondContact O-N 2.96Å; D165-S168 PolarHBondContact O-OG 2.92Å; D165-S168 WeakPolarHBondContact OD2-CB 3.34Å; D165-S168 PolarHBondContact OD2-N 2.9Å; M166-S168 PolarHBondContact O-N 3.42Å |
| 169 | F | 97.9 | Very high | 94.8 | Very high | 26 Ų | 26 | 42.7 Ų | 42.7 | 11% | 0.114 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.2 | -44.7 | 175.6 | 175.6 | -104.4 | 0 | 0 | 0 | 112.3 | Y161 D165 M166 E167 Q171 I172 V205 Q209 L213 | Y161-F169 HydrophobicContact CD1-CD2 4.17Å; Y161-F169 HydrophobicContact CD2-CB 3.86Å; Y161-F169 AromaticContact CD2-CD2 3.95Å; Y161-F169 HydrophobicContact CD2-CD2 3.95Å; Y161-F169 HydrophobicContact CD2-CG 4.37Å; Y161-F169 AromaticContact CE1-CD2 3.93Å; Y161-F169 HydrophobicContact CE1-CD2 3.93Å; Y161-F169 HydrophobicContact CE1-CE2 4.36Å; Y161-F169 HydrophobicContact CE2-CB 4.28Å; Y161-F169 AromaticContact CE2-CD2 3.72Å; Y161-F169 HydrophobicContact CE2-CD2 3.72Å; Y161-F169 HydrophobicContact CE2-CG 4.37Å; Y161-F169 HydrophobicContact CG-CB 4.25Å; Y161-F169 HydrophobicContact CG-CD2 4.14Å; Y161-F169 AromaticContact CZ-CD2 3.67Å; D165-F169 PolarHBondContact O-N 3.39Å; M166-F169 WeakPolarHBondContact O-CB 3.39Å; M166-F169 PolarHBondContact O-N 2.9Å; M166-F169 HydrophobicContact SD-CD1 3.95Å; E167-F169 PolarHBondContact O-N 3.37Å; F169-Q171 VanDerWaalsContact C-N 3.27Å; F169-Q171 PolarHBondContact O-N 3.12Å; F169-I172 HydrophobicContact CD2-CD1 3.99Å; F169-I172 WeakPolarHBondContact O-CB 3.39Å; F169-I172 WeakPolarHBondContact O-CG1 3.47Å; F169-I172 PolarHBondContact O-N 3.27Å; F169-V205 HydrophobicContact CB-CG1 4.31Å; F169-V205 HydrophobicContact CB-CG2 3.74Å; F169-V205 HydrophobicContact CD1-CG1 4.02Å; F169-V205 HydrophobicContact CD1-CG2 4.41Å; F169-V205 HydrophobicContact CD2-CG1 3.7Å; F169-V205 HydrophobicContact CE1-CG1 4.24Å; F169-V205 HydrophobicContact CE2-CG1 3.91Å; F169-V205 HydrophobicContact CG-CG1 3.74Å; F169-V205 HydrophobicContact CG-CG2 4.05Å; F169-V205 HydrophobicContact CZ-CG1 4.18Å; F169-Q209 HydrophobicContact CE1-CB 4.31Å; F169-Q209 HydrophobicContact CZ-CB 3.98Å; F169-L213 HydrophobicContact CD2-CD2 4.11Å; F169-L213 HydrophobicContact CE2-CB 4.13Å; F169-L213 HydrophobicContact CE2-CD2 3.45Å; F169-L213 VanDerWaalsContact CE2-CD2 3.45Å; F169-L213 HydrophobicContact CE2-CG 4.36Å; F169-L213 HydrophobicContact CZ-CB 4.01Å; F169-L213 HydrophobicContact CZ-CD2 3.93Å; F169-L213 HydrophobicContact CZ-CG 4.44Å |
| 170 | E | 96.8 | Very high | 94.5 | Very high | 86 Ų | 86 | 43 Ų | 43 | 40% | 0.402 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.7 | -34.3 | 177.2 | -70.9 | -177 | -174.8 | 0 | 0 | 112.7 | M166 E167 I172 R173 K174 | M166-E170 HydrophobicContact CG-CG 4.41Å; M166-E170 WeakPolarHBondContact O-CG 3.45Å; M166-E170 PolarHBondContact O-N 3.41Å; E167-E170 PolarHBondContact O-N 3.22Å; E170-I172 PolarHBondContact O-N 2.82Å; E170-R173 PolarHBondContact O-N 3.24Å; E170-K174 HydrophobicContact CB-CD 4.34Å; E170-K174 WeakPolarHBondContact O-CG 3.19Å; E170-K174 PolarHBondContact O-N 3.05Å; E170-K174 IonicContact OE2-NZ 2.67Å; E170-K174 PolarHBondContact OE2-NZ 2.87Å |
| 171 | Q | 94 | Very high | 94.1 | Very high | 48 Ų | 48 | 48.8 Ų | 48.8 | 22% | 0.224 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.7 | -17.7 | 178.6 | -70.2 | -61.1 | -13.9 | 0 | 0 | 113.6 | N89 E167 F169 R173 Y175 W176 | N89-Q171 WeakPolarHBondContact OD1-CB 3.19Å; E167-Q171 HydrophobicContact CG-CG 4.41Å; E167-Q171 VanDerWaalsContact O-CG 3.3Å; E167-Q171 WeakPolarHBondContact O-CG 3.1Å; E167-Q171 PolarHBondContact O-N 2.82Å; F169-Q171 VanDerWaalsContact C-N 3.27Å; F169-Q171 PolarHBondContact O-N 3.12Å; Q171-R173 VanDerWaalsContact C-N 3.34Å; Q171-R173 PolarHBondContact O-N 3.34Å; Q171-Y175 PolarHBondContact O-N 3.06Å; Q171-W176 VanDerWaalsContact O-CD1 3.29Å; Q171-W176 PolarHBondContact O-N 2.87Å |
| 172 | I | 94.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -55.9 | -51.1 | 174.9 | -61.3 | 172.3 | 0 | 0 | 0 | 110.2 | I159 Y161 F169 E170 W176 L177 F192 L213 | I159-I172 HydrophobicContact CG2-CB 4.46Å; I159-I172 HydrophobicContact CG2-CG1 3.96Å; I159-I172 HydrophobicContact CG2-CG2 4.16Å; Y161-I172 HydrophobicContact CD1-CD1 3.54Å; Y161-I172 HydrophobicContact CE1-CD1 4.2Å; Y161-I172 HydrophobicContact CG-CD1 4.03Å; F169-I172 HydrophobicContact CD2-CD1 3.99Å; F169-I172 WeakPolarHBondContact O-CB 3.39Å; F169-I172 WeakPolarHBondContact O-CG1 3.47Å; F169-I172 PolarHBondContact O-N 3.27Å; E170-I172 PolarHBondContact O-N 2.82Å; I172-W176 PolarHBondContact O-N 2.9Å; I172-L177 HydrophobicContact CG2-CD1 4.09Å; I172-L177 HydrophobicContact CG2-CG 4.14Å; I172-L177 WeakPolarHBondContact O-CB 3.49Å; I172-L177 WeakPolarHBondContact O-CG 3.24Å; I172-L177 PolarHBondContact O-N 3.35Å; I172-F192 HydrophobicContact CG2-CD1 4.14Å; I172-F192 HydrophobicContact CG2-CE1 3.73Å; I172-F192 HydrophobicContact CG2-CZ 4.03Å; I172-L213 HydrophobicContact CB-CD2 4.21Å; I172-L213 HydrophobicContact CD1-CD2 3.64Å; I172-L213 HydrophobicContact CG2-CD2 3.99Å |
| 173 | R | 94.1 | Very high | 93.1 | Very high | 99 Ų | 99 | 56.5 Ų | 56.5 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -77.6 | -44.9 | 177.9 | -73.2 | -171.6 | 173.7 | 171 | 10.9 | 112.8 | E170 Q171 Y175 L177 L213 Q216 | E170-R173 PolarHBondContact O-N 3.24Å; Q171-R173 VanDerWaalsContact C-N 3.34Å; Q171-R173 PolarHBondContact O-N 3.34Å; R173-Y175 VanDerWaalsContact C-N 3.27Å; R173-Y175 PolarHBondContact O-N 3.18Å; R173-L177 HydrophobicContact CG-CD1 4.33Å; R173-L213 HydrophobicContact CG-CD1 3.7Å; R173-L213 VanDerWaalsContact CZ-CD1 3.41Å; R173-Q216 VanDerWaalsContact CZ-OE1 3.23Å |
| 174 | K | 92.7 | Very high | 92.6 | Very high | 126 Ų | 126 | 57.9 Ų | 57.9 | 55% | 0.548 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -66.2 | -32.5 | -171.4 | -69.1 | 174.2 | 177.9 | 173.2 | 0 | 112.2 | E170 | E170-K174 HydrophobicContact CB-CD 4.34Å; E170-K174 WeakPolarHBondContact O-CG 3.19Å; E170-K174 PolarHBondContact O-N 3.05Å; E170-K174 IonicContact OE2-NZ 2.67Å; E170-K174 PolarHBondContact OE2-NZ 2.87Å |
| 175 | Y | 90.8 | Very high | 92 | Very high | 62 Ų | 62 | 63.9 Ų | 63.9 | 24% | 0.243 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -133.8 | -54.7 | -169.5 | -176.8 | -106.2 | 0 | 0 | 0 | 113.8 | E141 H144 Q171 R173 R178 S179 | E141-Y175 HydrophobicContact CB-CE1 4.41Å; E141-Y175 WeakPolarHBondContact CB-OH 3.28Å; E141-Y175 HydrophobicContact CG-CE1 4.43Å; H144-Y175 PolarHBondContact CE1-OH 2.84Å; H144-Y175 PolarHBondContact ND1-OH 2.82Å; Q171-Y175 PolarHBondContact O-N 3.06Å; R173-Y175 VanDerWaalsContact C-N 3.27Å; R173-Y175 PolarHBondContact O-N 3.18Å; Y175-R178 PolarHBondContact O-N 3.39Å; Y175-S179 WeakPolarHBondContact O-CB 3.42Å; Y175-S179 PolarHBondContact O-N 3.36Å; Y175-S179 PolarHBondContact O-OG 3.27Å |
| 176 | W | 92 | Very high | 91.5 | Very high | 9 Ų | 9 | 67.8 Ų | 67.8 | 3% | 0.034 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -69.2 | -46.6 | -167.7 | -63.4 | 111.8 | 0 | 0 | 0 | 113.7 | L87 G88 N89 I159 Q171 I172 S179 V180 | L87-W176 HydrophobicContact CB-CD2 4.27Å; L87-W176 HydrophobicContact CB-CE3 3.79Å; L87-W176 HydrophobicContact CB-CZ3 4.28Å; L87-W176 HydrophobicContact CD1-CE3 4.32Å; L87-W176 HydrophobicContact CD2-CE3 4.5Å; L87-W176 HydrophobicContact CD2-CZ3 4.45Å; L87-W176 HydrophobicContact CG-CE3 4.43Å; G88-W176 VanDerWaalsContact C-CE2 3.45Å; G88-W176 VanDerWaalsContact CA-CE2 3.41Å; G88-W176 VanDerWaalsContact O-CZ2 3.27Å; G88-W176 WeakPolarHBondContact O-CZ2 3.06Å; N89-W176 PolarHBondContact OD1-NE1 3.4Å; I159-W176 HydrophobicContact CD1-CB 3.96Å; I159-W176 HydrophobicContact CG2-CB 3.78Å; I159-W176 HydrophobicContact CG2-CG 4Å; Q171-W176 VanDerWaalsContact O-CD1 3.29Å; Q171-W176 PolarHBondContact O-N 2.87Å; I172-W176 PolarHBondContact O-N 2.9Å; W176-S179 WeakPolarHBondContact O-CB 3.48Å; W176-S179 PolarHBondContact O-N 3.32Å; W176-V180 PolarHBondContact O-N 3.48Å; W176-V180 VanDerWaalsContact O-N 3.07Å |
| 177 | L | 91.9 | Very high | 91.1 | Very high | 18 Ų | 18 | 70 Ų | 70 | 9% | 0.094 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 175.9 | -74.7 | 173 | 0 | 0 | 0 | 111.6 | I159 I172 R173 S179 V180 D181 V190 F192 Q217 | I159-L177 HydrophobicContact CD1-CD2 3.77Å; I159-L177 HydrophobicContact CD1-CG 4.11Å; I172-L177 HydrophobicContact CG2-CD1 4.09Å; I172-L177 HydrophobicContact CG2-CG 4.14Å; I172-L177 WeakPolarHBondContact O-CB 3.49Å; I172-L177 WeakPolarHBondContact O-CG 3.24Å; I172-L177 PolarHBondContact O-N 3.35Å; R173-L177 HydrophobicContact CG-CD1 4.33Å; L177-S179 PolarHBondContact O-N 3Å; L177-V180 WeakPolarHBondContact O-CA 3.11Å; L177-V180 WeakPolarHBondContact O-CB 3.18Å; L177-V180 PolarHBondContact O-N 3.23Å; L177-D181 PolarHBondContact O-N 3.12Å; L177-V190 HydrophobicContact CD2-CG1 4.17Å; L177-F192 HydrophobicContact CD1-CE1 4.47Å; L177-F192 HydrophobicContact CD1-CZ 3.96Å; L177-F192 HydrophobicContact CD2-CE1 3.98Å; L177-F192 HydrophobicContact CD2-CZ 4.03Å; L177-F192 HydrophobicContact CG-CE1 4.44Å; L177-F192 HydrophobicContact CG-CZ 4.39Å; L177-Q217 HydrophobicContact CD1-CB 4.27Å; L177-Q217 HydrophobicContact CD1-CG 3.8Å |
| 178 | R | 90.1 | Very high | 90.9 | Very high | 154 Ų | 154 | 65.1 Ų | 65.1 | 58% | 0.581 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58 | -39 | 174.9 | -178.8 | 177 | 171.4 | 173.3 | -0 | 112.1 | Y175 V180 D181 E182 | Y175-R178 PolarHBondContact O-N 3.39Å; R178-V180 VanDerWaalsContact C-N 3.32Å; R178-V180 PolarHBondContact O-N 2.99Å; R178-D181 PolarHBondContact O-N 2.8Å; R178-E182 HydrophobicContact CG-CG 4.33Å; R178-E182 IonicContact CZ-OE1 3.42Å; R178-E182 IonicContact NE-OE1 2.76Å; R178-E182 PolarHBondContact NE-OE1 3.34Å; R178-E182 IonicContact NH2-OE1 3.2Å; R178-E182 PolarHBondContact NH2-OE1 3.32Å; R178-E182 WeakPolarHBondContact O-CB 2.83Å; R178-E182 VanDerWaalsContact O-CG 3.28Å; R178-E182 WeakPolarHBondContact O-CG 3.33Å; R178-E182 PolarHBondContact O-N 2.6Å |
| 179 | S | 88.1 | Confident | 91 | Very high | 7 Ų | 7 | 65.2 Ų | 65.2 | 5% | 0.049 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.3 | -36.4 | 176.2 | -60 | 0 | 0 | 0 | 0 | 111.8 | Y175 W176 L177 H183 | Y175-S179 WeakPolarHBondContact O-CB 3.42Å; Y175-S179 PolarHBondContact O-N 3.36Å; Y175-S179 PolarHBondContact O-OG 3.27Å; W176-S179 WeakPolarHBondContact O-CB 3.48Å; W176-S179 PolarHBondContact O-N 3.32Å; L177-S179 PolarHBondContact O-N 3Å; S179-H183 PolarHBondContact O-ND1 3.44Å |
| 180 | V | 89.3 | Confident | 90.9 | Very high | 6 Ų | 6 | 64.7 Ų | 64.7 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.9 | -50.6 | 172.7 | 173.6 | 0 | 0 | 0 | 0 | 109.8 | L87 F151 F157 W176 L177 R178 E182 H183 M184 V188 | L87-V180 HydrophobicContact CD1-CG2 3.77Å; F151-V180 HydrophobicContact CE1-CG2 4.14Å; F157-V180 HydrophobicContact CB-CG2 4.35Å; F157-V180 HydrophobicContact CD1-CG2 4.01Å; F157-V180 HydrophobicContact CD2-CB 4.48Å; F157-V180 HydrophobicContact CD2-CG1 3.72Å; F157-V180 HydrophobicContact CD2-CG2 3.88Å; F157-V180 HydrophobicContact CE1-CG2 4.22Å; F157-V180 HydrophobicContact CE2-CB 4.48Å; F157-V180 HydrophobicContact CE2-CG1 3.68Å; F157-V180 HydrophobicContact CE2-CG2 4.12Å; F157-V180 HydrophobicContact CG-CG1 4.48Å; F157-V180 HydrophobicContact CG-CG2 3.82Å; F157-V180 HydrophobicContact CZ-CG1 4.4Å; F157-V180 HydrophobicContact CZ-CG2 4.27Å; W176-V180 PolarHBondContact O-N 3.48Å; W176-V180 VanDerWaalsContact O-N 3.07Å; L177-V180 WeakPolarHBondContact O-CA 3.11Å; L177-V180 WeakPolarHBondContact O-CB 3.18Å; L177-V180 PolarHBondContact O-N 3.23Å; R178-V180 VanDerWaalsContact C-N 3.32Å; R178-V180 PolarHBondContact O-N 2.99Å; V180-E182 VanDerWaalsContact C-N 3.28Å; V180-E182 PolarHBondContact O-N 2.65Å; V180-H183 PolarHBondContact O-N 3.48Å; V180-H183 VanDerWaalsContact O-N 3.1Å; V180-M184 HydrophobicContact CG1-CG 3.88Å; V180-M184 WeakPolarHBondContact O-CB 3.36Å; V180-M184 VanDerWaalsContact O-CG 3.29Å; V180-M184 WeakPolarHBondContact O-CG 3.29Å; V180-M184 PolarHBondContact O-N 3.39Å; V180-V188 HydrophobicContact CG1-CG2 4.2Å |
| 181 | D | 88.7 | Confident | 91 | Very high | 123 Ų | 123 | 60.8 Ų | 60.8 | 66% | 0.658 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -61.4 | -33.9 | -179 | -64.7 | -25.2 | 0 | 0 | 0 | 113.1 | L177 R178 H183 | L177-D181 PolarHBondContact O-N 3.12Å; R178-D181 PolarHBondContact O-N 2.8Å; D181-H183 VanDerWaalsContact C-N 3.29Å; D181-H183 PolarHBondContact O-N 3.15Å |
| 182 | E | 88.2 | Confident | 91.2 | Very high | 114 Ų | 114 | 58.6 Ų | 58.6 | 53% | 0.533 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -72.3 | -19.3 | 178.7 | -77.5 | 176.6 | -179.5 | 0 | 0 | 113.6 | R178 V180 | R178-E182 HydrophobicContact CG-CG 4.33Å; R178-E182 IonicContact CZ-OE1 3.42Å; R178-E182 IonicContact NE-OE1 2.76Å; R178-E182 PolarHBondContact NE-OE1 3.34Å; R178-E182 IonicContact NH2-OE1 3.2Å; R178-E182 PolarHBondContact NH2-OE1 3.32Å; R178-E182 WeakPolarHBondContact O-CB 2.83Å; R178-E182 VanDerWaalsContact O-CG 3.28Å; R178-E182 WeakPolarHBondContact O-CG 3.33Å; R178-E182 PolarHBondContact O-N 2.6Å; V180-E182 VanDerWaalsContact C-N 3.28Å; V180-E182 PolarHBondContact O-N 2.65Å |
| 183 | H | 86.5 | Confident | 91.4 | Very high | 59 Ų | 59 | 58.6 Ų | 58.6 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -116.6 | -14.3 | -173.9 | -66.8 | 86.9 | 0 | 0 | 0 | 114.5 | S148 F151 S179 V180 D181 | S148-H183 WeakPolarHBondContact CB-NE2 3.47Å; S148-H183 PolarHBondContact OG-CD2 3.34Å; S148-H183 PolarHBondContact OG-NE2 2.93Å; F151-H183 HydrophobicContact CB-CB 3.72Å; F151-H183 HydrophobicContact CD1-CB 3.73Å; F151-H183 AromaticContact CD1-CG 3.96Å; F151-H183 HydrophobicContact CG-CB 4.11Å; S179-H183 PolarHBondContact O-ND1 3.44Å; V180-H183 PolarHBondContact O-N 3.48Å; V180-H183 VanDerWaalsContact O-N 3.1Å; D181-H183 VanDerWaalsContact C-N 3.29Å; D181-H183 PolarHBondContact O-N 3.15Å |
| 184 | M | 87.4 | Confident | 91.6 | Very high | 30 Ų | 30 | 53.9 Ų | 53.9 | 15% | 0.148 | 27% | 0.271 | C | S | . | . | trans | -104.3 | 124.4 | -178.8 | -60 | -53.7 | -78 | 0 | 0 | 110.9 | A154 F157 V180 E186 V188 | A154-M184 WeakPolarHBondContact O-CE 3.23Å; F157-M184 HydrophobicContact CE2-CE 4.09Å; F157-M184 HydrophobicContact CE2-CG 3.78Å; F157-M184 HydrophobicContact CE2-SD 3.88Å; F157-M184 HydrophobicContact CZ-CG 4.17Å; F157-M184 HydrophobicContact CZ-SD 3.94Å; V180-M184 HydrophobicContact CG1-CG 3.88Å; V180-M184 WeakPolarHBondContact O-CB 3.36Å; V180-M184 VanDerWaalsContact O-CG 3.29Å; V180-M184 WeakPolarHBondContact O-CG 3.29Å; V180-M184 PolarHBondContact O-N 3.39Å; M184-E186 VanDerWaalsContact C-N 3.28Å; M184-V188 HydrophobicContact CE-CB 4.3Å; M184-V188 HydrophobicContact CE-CG1 3.39Å; M184-V188 HydrophobicContact CE-CG2 4.01Å; M184-V188 HydrophobicContact CG-CG2 4.18Å | ||
| 185 | D | 83.3 | Confident | 91.9 | Very high | 155 Ų | 155 | 48 Ų | 48 | 83% | 0.829 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -77 | -19 | 175.2 | -62.5 | -48.1 | 0 | 0 | 0 | 112.2 | ||
| 186 | E | 86 | Confident | 92.2 | Very high | 129 Ų | 129 | 47.9 Ų | 47.9 | 60% | 0.603 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -129 | 151.5 | -176.1 | -64.5 | 177.4 | 179.6 | 0 | 0 | 110.7 | M184 V188 | M184-E186 VanDerWaalsContact C-N 3.28Å; E186-V188 PolarHBondContact O-N 3.43Å |
| 187 | A | 89.1 | Confident | 92.4 | Very high | 101 Ų | 101 | 48.5 Ų | 48.5 | 84% | 0.835 | 25% | 0.25 | S | C | * | . | trans | -63.1 | 131 | 172 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 188 | V | 92.8 | Very high | 92.6 | Very high | 15 Ų | 15 | 50.2 Ų | 50.2 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | trans | -127.1 | 151.2 | 178.9 | -67.9 | 0 | 0 | 0 | 0 | 111.2 | F157 V180 M184 E186 V190 W248 | F157-V188 HydrophobicContact CD2-CG2 3.6Å; F157-V188 HydrophobicContact CE2-CG2 3.65Å; V180-V188 HydrophobicContact CG1-CG2 4.2Å; M184-V188 HydrophobicContact CE-CB 4.3Å; M184-V188 HydrophobicContact CE-CG1 3.39Å; M184-V188 HydrophobicContact CE-CG2 4.01Å; M184-V188 HydrophobicContact CG-CG2 4.18Å; E186-V188 PolarHBondContact O-N 3.43Å; V188-V190 PolarHBondContact O-N 2.96Å; V188-W248 HydrophobicContact CG1-CZ2 4.2Å | ||
| 189 | P | 96.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | trans | -56 | 134.6 | 174.6 | -30.8 | 37.4 | 0 | 0 | 0 | 113.8 | K155 C156 F157 F191 H220 M244 T247 | K155-P189 WeakPolarHBondContact O-CD 3.44Å; C156-P189 WeakPolarHBondContact CA-O 3.39Å; F157-P189 PolarHBondContact N-O 3.32Å; P189-F191 HydrophobicContact CB-CE2 4.42Å; P189-H220 HydrophobicContact CB-CB 4.48Å; P189-M244 HydrophobicContact CB-CE 3.6Å; P189-M244 HydrophobicContact CG-CE 3.56Å; P189-T247 HydrophobicContact CG-CG2 4.06Å | ||
| 190 | V | 96.9 | Very high | 92.5 | Very high | 15 Ų | 15 | 51.1 Ų | 51.1 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 130.6 | 177.9 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | F157 I159 L177 V188 F192 A219 H220 | F157-V190 HydrophobicContact CB-CG2 4.39Å; F157-V190 CarbonylContact O-C 3.4Å; F157-V190 WeakPolarHBondContact O-CA 3.34Å; I159-V190 HydrophobicContact CD1-CG1 3.94Å; I159-V190 HydrophobicContact CG1-CG1 4.09Å; L177-V190 HydrophobicContact CD2-CG1 4.17Å; V188-V190 PolarHBondContact O-N 2.96Å; V190-F192 HydrophobicContact CG1-CD1 4.12Å; V190-F192 HydrophobicContact CG1-CE1 3.6Å; V190-F192 HydrophobicContact CG1-CZ 4.38Å; V190-A219 CarbonylContact O-C 3.57Å; V190-H220 PolarHBondContact O-N 3.21Å |
| 191 | F | 98.4 | Very high | 92.6 | Very high | 5 Ų | 5 | 60.6 Ų | 60.6 | 2% | 0.022 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 139.8 | 174 | -72.7 | -102.4 | 0 | 0 | 0 | 110.2 | F157 I158 I159 P189 H220 G221 F223 A239 V240 C243 | F157-F191 PolarHBondContact O-N 3.01Å; I158-F191 CarbonylContact C-O 3.58Å; I158-F191 WeakPolarHBondContact CA-O 3.31Å; I158-F191 HydrophobicContact CG1-CB 4.44Å; I159-F191 PolarHBondContact N-O 3.29Å; P189-F191 HydrophobicContact CB-CE2 4.42Å; F191-H220 HydrophobicContact CD2-CB 4.36Å; F191-H220 HydrophobicContact CE1-CB 4.47Å; F191-H220 HydrophobicContact CE2-CB 3.88Å; F191-H220 HydrophobicContact CZ-CB 3.95Å; F191-G221 WeakPolarHBondContact CA-O 3.28Å; F191-F223 HydrophobicContact CD1-CD2 4.15Å; F191-F223 AromaticContact CD1-CE2 3.78Å; F191-F223 HydrophobicContact CD1-CE2 3.78Å; F191-F223 AromaticContact CE1-CE2 3.97Å; F191-F223 HydrophobicContact CE1-CE2 3.97Å; F191-A239 HydrophobicContact CE1-CB 4.43Å; F191-V240 HydrophobicContact CD1-CG2 4.3Å; F191-V240 HydrophobicContact CD2-CG2 3.84Å; F191-V240 HydrophobicContact CE1-CG2 4.35Å; F191-V240 HydrophobicContact CE2-CG2 3.9Å; F191-V240 HydrophobicContact CG-CG2 4.05Å; F191-V240 HydrophobicContact CZ-CG2 4.16Å; F191-C243 HydrophobicContact CE2-CB 4.02Å; F191-C243 HydrophobicContact CZ-CB 3.71Å |
| 192 | F | 98.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 0% | 0.004 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 134.5 | 171.7 | -61.1 | -27.2 | 0 | 0 | 0 | 110.7 | I159 I172 L177 V190 L213 T214 Q217 A219 G221 F222 F223 | I159-F192 HydrophobicContact CB-CD1 4.05Å; I159-F192 HydrophobicContact CB-CE1 4.39Å; I159-F192 HydrophobicContact CD1-CE1 4.06Å; I159-F192 HydrophobicContact CG1-CE1 4.45Å; I159-F192 WeakPolarHBondContact O-CA 3.42Å; I172-F192 HydrophobicContact CG2-CD1 4.14Å; I172-F192 HydrophobicContact CG2-CE1 3.73Å; I172-F192 HydrophobicContact CG2-CZ 4.03Å; L177-F192 HydrophobicContact CD1-CE1 4.47Å; L177-F192 HydrophobicContact CD1-CZ 3.96Å; L177-F192 HydrophobicContact CD2-CE1 3.98Å; L177-F192 HydrophobicContact CD2-CZ 4.03Å; L177-F192 HydrophobicContact CG-CE1 4.44Å; L177-F192 HydrophobicContact CG-CZ 4.39Å; V190-F192 HydrophobicContact CG1-CD1 4.12Å; V190-F192 HydrophobicContact CG1-CE1 3.6Å; V190-F192 HydrophobicContact CG1-CZ 4.38Å; F192-L213 HydrophobicContact CD2-CD2 3.91Å; F192-L213 HydrophobicContact CD2-CG 3.94Å; F192-L213 HydrophobicContact CE2-CD2 4.01Å; F192-L213 HydrophobicContact CE2-CG 3.71Å; F192-T214 WeakPolarHBondContact CD2-OG1 3.47Å; F192-Q217 HydrophobicContact CE2-CB 4.09Å; F192-Q217 HydrophobicContact CE2-CG 4.37Å; F192-Q217 HydrophobicContact CZ-CB 4.06Å; F192-Q217 HydrophobicContact CZ-CG 4.37Å; F192-A219 HydrophobicContact CD2-CB 3.91Å; F192-A219 HydrophobicContact CE1-CB 4.33Å; F192-A219 HydrophobicContact CE2-CB 3.58Å; F192-A219 HydrophobicContact CG-CB 4.39Å; F192-A219 HydrophobicContact CZ-CB 3.81Å; F192-G221 PolarHBondContact N-O 3.42Å; F192-F222 HydrophobicContact CB-CD2 4.16Å; F192-F222 WeakPolarHBondContact O-CA 3.39Å; F192-F223 PolarHBondContact O-N 2.89Å |
| 193 | V | 98.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 114.9 | -176.7 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | I97 I158 I159 V160 Y161 N195 F223 T225 L236 | I97-V193 HydrophobicContact CD1-CG1 4.11Å; I158-V193 HydrophobicContact CG2-CB 4.32Å; I158-V193 HydrophobicContact CG2-CG2 3.4Å; I158-V193 VanDerWaalsContact CG2-CG2 3.4Å; I159-V193 PolarHBondContact O-N 3.02Å; V160-V193 WeakPolarHBondContact CA-O 3.48Å; V160-V193 HydrophobicContact CG1-CB 4.4Å; V160-V193 HydrophobicContact CG1-CG1 4.31Å; V160-V193 HydrophobicContact CG2-CB 4.2Å; Y161-V193 VanDerWaalsContact CD1-O 3.23Å; Y161-V193 WeakPolarHBondContact CD1-O 3.5Å; Y161-V193 PolarHBondContact N-O 3.25Å; V193-N195 PolarHBondContact O-N 3.06Å; V193-F223 CarbonylContact C-O 3.56Å; V193-F223 WeakPolarHBondContact CA-O 3.48Å; V193-F223 HydrophobicContact CG2-CB 4.49Å; V193-T225 HydrophobicContact CG1-CG2 3.71Å; V193-T225 WeakPolarHBondContact CG1-OG1 3.18Å; V193-L236 HydrophobicContact CG1-CD2 4.34Å; V193-L236 HydrophobicContact CG2-CD1 3.74Å; V193-L236 HydrophobicContact CG2-CD2 3.65Å; V193-L236 HydrophobicContact CG2-CG 4.36Å |
| 194 | A | 98.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 96.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y161 V163 I197 F222 F223 E224 T225 | Y161-A194 HydrophobicContact CE1-CB 3.69Å; Y161-A194 HydrophobicContact CE2-CB 4Å; Y161-A194 VanDerWaalsContact OH-CB 3.29Å; Y161-A194 WeakPolarHBondContact OH-CB 3.44Å; V163-A194 HydrophobicContact CG1-CB 3.73Å; A194-I197 WeakPolarHBondContact O-CG2 3.25Å; A194-F222 HydrophobicContact CB-CE2 3.79Å; A194-F222 HydrophobicContact CB-CZ 3.74Å; A194-F223 PolarHBondContact N-O 3.41Å; A194-E224 HydrophobicContact CB-CG 3.96Å; A194-E224 CarbonylContact O-C 3.57Å; A194-E224 WeakPolarHBondContact O-CA 3.16Å; A194-T225 PolarHBondContact O-N 3.02Å |
| 195 | N | 98.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.011 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 165.1 | -175.9 | -165.5 | 32.4 | 0 | 0 | 0 | 112.4 | V92 I97 V160 Y161 V163 V193 T225 A227 | V92-N195 PolarHBondContact O-ND2 3.46Å; I97-N195 HydrophobicContact CD1-CB 4.19Å; V160-N195 HydrophobicContact CG1-CB 3.84Å; Y161-N195 WeakPolarHBondContact O-CB 3.29Å; Y161-N195 PolarHBondContact O-N 3.35Å; V163-N195 WeakPolarHBondContact CG1-O 3.35Å; V163-N195 WeakPolarHBondContact CG2-O 3.49Å; V163-N195 PolarHBondContact N-O 2.84Å; V193-N195 PolarHBondContact O-N 3.06Å; N195-T225 CarbonylContact C-O 3.57Å; N195-T225 VanDerWaalsContact CA-O 3.31Å; N195-T225 WeakPolarHBondContact CA-O 3.44Å; N195-T225 PolarHBondContact OD1-O 3.46Å; N195-T225 PolarHBondContact OD1-OG1 3.49Å; N195-T225 VanDerWaalsContact OD1-OG1 3.05Å; N195-A227 PolarHBondContact OD1-N 2.94Å |
| 196 | K | 97.1 | Very high | 94.5 | Very high | 61 Ų | 61 | 53.8 Ų | 53.8 | 27% | 0.265 | 28% | 0.279 | S | S | . | . | trans | 67.9 | 30.8 | 179.1 | -45.3 | -167.3 | -164.5 | 168.1 | 0 | 114.7 | G91 D162 D198 T199 T225 | G91-K196 VanDerWaalsContact O-CE 3.27Å; G91-K196 WeakPolarHBondContact O-CE 3.43Å; G91-K196 PolarHBondContact O-NZ 2.92Å; D162-K196 HydrophobicContact CB-CD 4.46Å; D162-K196 VanDerWaalsContact OD2-CD 3.27Å; D162-K196 WeakPolarHBondContact OD2-CD 3.37Å; D162-K196 WeakPolarHBondContact OD2-CE 3.42Å; D162-K196 IonicContact OD2-NZ 2.65Å; D162-K196 PolarHBondContact OD2-NZ 3.16Å; K196-D198 PolarHBondContact O-N 2.83Å; K196-T199 PolarHBondContact O-N 3.29Å; K196-T199 PolarHBondContact O-OG1 2.9Å; K196-T225 PolarHBondContact N-O 2.77Å | ||
| 197 | I | 97.1 | Very high | 95 | Very high | 21 Ų | 21 | 49 Ų | 49 | 11% | 0.108 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -10.1 | 177.2 | 69.4 | -178.6 | 0 | 0 | 0 | 114.5 | V163 A194 T199 E224 T225 K231 | V163-I197 HydrophobicContact CG1-CG2 4.03Å; A194-I197 WeakPolarHBondContact O-CG2 3.25Å; I197-T199 PolarHBondContact O-N 2.98Å; I197-E224 HydrophobicContact CD1-CB 3.94Å; I197-E224 WeakPolarHBondContact CD1-O 3.41Å; I197-E224 HydrophobicContact CG2-CB 3.86Å; I197-E224 HydrophobicContact CG2-CG 4.13Å; I197-T225 WeakPolarHBondContact CG1-O 3.12Å; I197-T225 PolarHBondContact N-O 2.86Å; I197-K231 HydrophobicContact CD1-CD 3.73Å; I197-K231 HydrophobicContact CD1-CG 4.16Å |
| 198 | D | 95.6 | Very high | 95.4 | Very high | 55 Ų | 55 | 50 Ų | 50 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -14.1 | 169.2 | 55.3 | -76.6 | 0 | 0 | 0 | 113.2 | K196 I200 S226 K228 T229 | K196-D198 PolarHBondContact O-N 2.83Å; D198-I200 PolarHBondContact O-N 3.11Å; D198-S226 VanDerWaalsContact CG-OG 3.3Å; D198-S226 VanDerWaalsContact OD1-CB 3.25Å; D198-S226 WeakPolarHBondContact OD1-CB 3.38Å; D198-S226 PolarHBondContact OD1-OG 3.1Å; D198-K228 WeakPolarHBondContact OD2-CD 3.24Å; D198-K228 IonicContact OD2-NZ 3.67Å; D198-T229 HydrophobicContact CB-CG2 4.14Å |
| 199 | T | 91.8 | Very high | 95.7 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 26% | 0.258 | 26% | 0.257 | S | S | . | . | trans | -100.7 | 58.6 | -177.9 | -38.6 | 0 | 0 | 0 | 0 | 111.8 | T164 K196 I197 K201 D202 K203 | T164-T199 HydrophobicContact CG2-CG2 4.05Å; K196-T199 PolarHBondContact O-N 3.29Å; K196-T199 PolarHBondContact O-OG1 2.9Å; I197-T199 PolarHBondContact O-N 2.98Å; T199-K201 VanDerWaalsContact C-N 3.28Å; T199-K201 PolarHBondContact O-N 2.59Å; T199-D202 HydrophobicContact CG2-CB 3.86Å; T199-D202 WeakPolarHBondContact CG2-OD2 3.35Å; T199-D202 PolarHBondContact O-N 3.24Å; T199-K203 PolarHBondContact O-N 2.88Å | ||
| 200 | I | 84.8 | Confident | 95.7 | Very high | 138 Ų | 138 | 52.4 Ų | 52.4 | 71% | 0.708 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -57.5 | -38.6 | -171.5 | -59.1 | 173.2 | 0 | 0 | 0 | 112.7 | D198 D202 K203 | D198-I200 PolarHBondContact O-N 3.11Å; I200-D202 VanDerWaalsContact C-N 3.26Å; I200-D202 PolarHBondContact O-N 3.48Å; I200-K203 WeakPolarHBondContact O-CB 3.44Å; I200-K203 PolarHBondContact O-N 2.8Å |
| 201 | K | 90.7 | Very high | 95.7 | Very high | 205 Ų | 205 | 56.5 Ų | 56.5 | 89% | 0.891 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -66.8 | -26.3 | -175.6 | -65.8 | -175.6 | 179.6 | -178.4 | 0 | 113.7 | T199 | T199-K201 VanDerWaalsContact C-N 3.28Å; T199-K201 PolarHBondContact O-N 2.59Å |
| 202 | D | 89.4 | Confident | 95.7 | Very high | 98 Ų | 98 | 61.4 Ų | 61.4 | 52% | 0.524 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -105.5 | 9.2 | -176 | -55 | -51.4 | 0 | 0 | 0 | 112 | T164 T199 I200 K204 | T164-D202 WeakPolarHBondContact CA-O 3.44Å; T164-D202 WeakPolarHBondContact CB-O 3.35Å; T164-D202 HydrophobicContact CG2-CB 3.84Å; T199-D202 HydrophobicContact CG2-CB 3.86Å; T199-D202 WeakPolarHBondContact CG2-OD2 3.35Å; T199-D202 PolarHBondContact O-N 3.24Å; I200-D202 VanDerWaalsContact C-N 3.26Å; I200-D202 PolarHBondContact O-N 3.48Å; D202-K204 PolarHBondContact O-N 3.05Å |
| 203 | K | 94.1 | Very high | 95.7 | Very high | 69 Ų | 69 | 61.8 Ų | 61.8 | 30% | 0.3 | 30% | 0.3 | S | S | . | . | trans | -63.7 | 117 | -178.7 | -175 | 163.1 | 179.5 | 176.2 | 0 | 110 | V163 T199 I200 V205 T207 E224 | V163-K203 HydrophobicContact CB-CG 4.2Å; V163-K203 HydrophobicContact CG2-CG 4.44Å; T199-K203 PolarHBondContact O-N 2.88Å; I200-K203 WeakPolarHBondContact O-CB 3.44Å; I200-K203 PolarHBondContact O-N 2.8Å; K203-V205 WeakPolarHBondContact CE-O 3.35Å; K203-V205 VanDerWaalsContact CG-O 3.24Å; K203-V205 WeakPolarHBondContact CG-O 3.3Å; K203-T207 PolarHBondContact NZ-OG1 2.87Å; K203-E224 IonicContact NZ-OE1 2.6Å; K203-E224 PolarHBondContact NZ-OE1 2.96Å | ||
| 204 | K | 96.8 | Very high | 95.6 | Very high | 132 Ų | 132 | 62.5 Ų | 62.5 | 57% | 0.574 | 30% | 0.304 | S | S | * | . | trans | -102.5 | -23.1 | 176.5 | -63 | -172.3 | -167.8 | 153.9 | 0 | 113 | V163 T164 M166 D202 | V163-K204 PolarHBondContact O-N 2.88Å; T164-K204 WeakPolarHBondContact O-CD 3.36Å; T164-K204 WeakPolarHBondContact O-CE 3.19Å; T164-K204 PolarHBondContact O-NZ 3.08Å; M166-K204 WeakPolarHBondContact CE-O 3.5Å; D202-K204 PolarHBondContact O-N 3.05Å | ||
| 205 | V | 96.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -110.1 | 121.1 | 179.6 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | Y161 V163 M166 F169 K203 Q209 | Y161-V205 HydrophobicContact CD2-CG2 4.5Å; Y161-V205 HydrophobicContact CE2-CB 3.92Å; Y161-V205 HydrophobicContact CE2-CG1 3.69Å; Y161-V205 HydrophobicContact CE2-CG2 4.21Å; V163-V205 PolarHBondContact O-N 2.9Å; V163-V205 VanDerWaalsContact O-N 3.09Å; M166-V205 HydrophobicContact CE-CG2 4.32Å; M166-V205 HydrophobicContact SD-CG2 3.91Å; F169-V205 HydrophobicContact CB-CG1 4.31Å; F169-V205 HydrophobicContact CB-CG2 3.74Å; F169-V205 HydrophobicContact CD1-CG1 4.02Å; F169-V205 HydrophobicContact CD1-CG2 4.41Å; F169-V205 HydrophobicContact CD2-CG1 3.7Å; F169-V205 HydrophobicContact CE1-CG1 4.24Å; F169-V205 HydrophobicContact CE2-CG1 3.91Å; F169-V205 HydrophobicContact CG-CG1 3.74Å; F169-V205 HydrophobicContact CG-CG2 4.05Å; F169-V205 HydrophobicContact CZ-CG1 4.18Å; K203-V205 WeakPolarHBondContact CE-O 3.35Å; K203-V205 VanDerWaalsContact CG-O 3.24Å; K203-V205 WeakPolarHBondContact CG-O 3.3Å; V205-Q209 HydrophobicContact CG1-CB 4.09Å |
| 206 | S | 96.7 | Very high | 95.4 | Very high | 38 Ų | 38 | 72 Ų | 72 | 27% | 0.266 | 36% | 0.359 | S | S | . | . | trans | -75 | 160 | -179.5 | 95.5 | 0 | 0 | 0 | 0 | 112.1 | E208 Q209 G210 | S206-E208 WeakPolarHBondContact CB-OE2 3.37Å; S206-E208 PolarHBondContact O-N 2.91Å; S206-E208 PolarHBondContact OG-N 3.06Å; S206-E208 PolarHBondContact OG-OE2 2.83Å; S206-Q209 PolarHBondContact O-N 3.1Å; S206-Q209 PolarHBondContact OG-N 3.49Å; S206-Q209 VanDerWaalsContact OG-N 3.15Å; S206-G210 PolarHBondContact O-N 3.48Å | ||
| 207 | T | 97 | Very high | 95.3 | Very high | 29 Ų | 29 | 73.1 Ų | 73.1 | 18% | 0.178 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 176.3 | -60 | 0 | 0 | 0 | 0 | 110.5 | K203 Q209 G210 Q211 F222 E224 | K203-T207 PolarHBondContact NZ-OG1 2.87Å; T207-Q209 PolarHBondContact O-N 2.85Å; T207-G210 PolarHBondContact O-N 3.15Å; T207-Q211 HydrophobicContact CG2-CG 4.47Å; T207-Q211 WeakPolarHBondContact O-CG 3.2Å; T207-Q211 PolarHBondContact O-N 3.48Å; T207-F222 HydrophobicContact CG2-CE1 4.16Å; T207-E224 WeakPolarHBondContact CG2-OE2 3.3Å; T207-E224 VanDerWaalsContact OG1-CD 3.28Å; T207-E224 PolarHBondContact OG1-OE1 3.13Å; T207-E224 PolarHBondContact OG1-OE2 3.33Å; T207-E224 VanDerWaalsContact OG1-OE2 3.11Å |
| 208 | E | 97.7 | Very high | 95.1 | Very high | 121 Ų | 121 | 75.8 Ų | 75.8 | 57% | 0.565 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.3 | -40.2 | 178.2 | -55.8 | 71.2 | -154.2 | 0 | 0 | 111.3 | S206 G210 Q211 Q212 | S206-E208 WeakPolarHBondContact CB-OE2 3.37Å; S206-E208 PolarHBondContact O-N 2.91Å; S206-E208 PolarHBondContact OG-N 3.06Å; S206-E208 PolarHBondContact OG-OE2 2.83Å; E208-G210 VanDerWaalsContact C-N 3.35Å; E208-G210 PolarHBondContact O-N 3.29Å; E208-Q211 PolarHBondContact O-N 3.05Å; E208-Q212 WeakPolarHBondContact O-CB 3.08Å; E208-Q212 PolarHBondContact O-N 3.36Å |
| 209 | Q | 97.7 | Very high | 95.1 | Very high | 67 Ų | 67 | 74 Ų | 74 | 31% | 0.313 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 174.7 | -70.6 | 179.5 | -61.6 | 0 | 0 | 111.6 | F169 V205 S206 T207 L213 | F169-Q209 HydrophobicContact CE1-CB 4.31Å; F169-Q209 HydrophobicContact CZ-CB 3.98Å; V205-Q209 HydrophobicContact CG1-CB 4.09Å; S206-Q209 PolarHBondContact O-N 3.1Å; S206-Q209 PolarHBondContact OG-N 3.49Å; S206-Q209 VanDerWaalsContact OG-N 3.15Å; T207-Q209 PolarHBondContact O-N 2.85Å; Q209-L213 WeakPolarHBondContact O-CB 3.32Å; Q209-L213 PolarHBondContact O-N 3.32Å |
| 210 | G | 97.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 76.7 Ų | 76.7 | 1% | 0.01 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S206 T207 E208 L213 T214 | S206-G210 PolarHBondContact O-N 3.48Å; T207-G210 PolarHBondContact O-N 3.15Å; E208-G210 VanDerWaalsContact C-N 3.35Å; E208-G210 PolarHBondContact O-N 3.29Å; G210-L213 PolarHBondContact O-N 3.05Å; G210-T214 PolarHBondContact O-N 3.22Å; G210-T214 VanDerWaalsContact O-N 3.07Å; G210-T214 PolarHBondContact O-OG1 2.79Å |
| 211 | Q | 97.6 | Very high | 95.9 | Very high | 100 Ų | 100 | 70.8 Ų | 70.8 | 47% | 0.467 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.1 | -45.4 | 175.7 | -71 | 173.5 | -16.8 | 0 | 0 | 111.8 | T207 E208 L213 T214 S215 F222 | T207-Q211 HydrophobicContact CG2-CG 4.47Å; T207-Q211 WeakPolarHBondContact O-CG 3.2Å; T207-Q211 PolarHBondContact O-N 3.48Å; E208-Q211 PolarHBondContact O-N 3.05Å; Q211-L213 VanDerWaalsContact C-N 3.31Å; Q211-L213 PolarHBondContact O-N 3.44Å; Q211-T214 WeakPolarHBondContact O-CB 3.35Å; Q211-T214 PolarHBondContact O-N 3.22Å; Q211-T214 VanDerWaalsContact O-N 3.14Å; Q211-S215 PolarHBondContact O-N 3.09Å; Q211-S215 PolarHBondContact O-OG 3.05Å; Q211-F222 HydrophobicContact CG-CD1 3.8Å; Q211-F222 HydrophobicContact CG-CE1 4Å |
| 212 | Q | 98.1 | Very high | 96.3 | Very high | 109 Ų | 109 | 63 Ų | 63 | 51% | 0.509 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 177.1 | -175.5 | -178.1 | 15.1 | 0 | 0 | 111.4 | E208 T214 S215 Q216 | E208-Q212 WeakPolarHBondContact O-CB 3.08Å; E208-Q212 PolarHBondContact O-N 3.36Å; Q212-T214 VanDerWaalsContact C-N 3.35Å; Q212-S215 PolarHBondContact O-N 3.34Å; Q212-Q216 HydrophobicContact CG-CG 4.38Å; Q212-Q216 VanDerWaalsContact NE2-NE2 3.16Å; Q212-Q216 VanDerWaalsContact O-CB 3.28Å; Q212-Q216 WeakPolarHBondContact O-CB 3.4Å; Q212-Q216 VanDerWaalsContact O-CG 3.23Å; Q212-Q216 WeakPolarHBondContact O-CG 3.43Å; Q212-Q216 PolarHBondContact O-N 3.48Å |
| 213 | L | 97.2 | Very high | 96.7 | Very high | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.9 | -48.3 | 174 | 177.8 | 68.6 | 0 | 0 | 0 | 111.1 | F169 I172 R173 F192 Q209 G210 Q211 Q216 Q217 | F169-L213 HydrophobicContact CD2-CD2 4.11Å; F169-L213 HydrophobicContact CE2-CB 4.13Å; F169-L213 HydrophobicContact CE2-CD2 3.45Å; F169-L213 VanDerWaalsContact CE2-CD2 3.45Å; F169-L213 HydrophobicContact CE2-CG 4.36Å; F169-L213 HydrophobicContact CZ-CB 4.01Å; F169-L213 HydrophobicContact CZ-CD2 3.93Å; F169-L213 HydrophobicContact CZ-CG 4.44Å; I172-L213 HydrophobicContact CB-CD2 4.21Å; I172-L213 HydrophobicContact CD1-CD2 3.64Å; I172-L213 HydrophobicContact CG2-CD2 3.99Å; R173-L213 HydrophobicContact CG-CD1 3.7Å; R173-L213 VanDerWaalsContact CZ-CD1 3.41Å; F192-L213 HydrophobicContact CD2-CD2 3.91Å; F192-L213 HydrophobicContact CD2-CG 3.94Å; F192-L213 HydrophobicContact CE2-CD2 4.01Å; F192-L213 HydrophobicContact CE2-CG 3.71Å; Q209-L213 WeakPolarHBondContact O-CB 3.32Å; Q209-L213 PolarHBondContact O-N 3.32Å; G210-L213 PolarHBondContact O-N 3.05Å; Q211-L213 VanDerWaalsContact C-N 3.31Å; Q211-L213 PolarHBondContact O-N 3.44Å; L213-Q216 PolarHBondContact O-N 2.97Å; L213-Q217 HydrophobicContact CD1-CG 4.11Å; L213-Q217 WeakPolarHBondContact O-CG 3.4Å; L213-Q217 PolarHBondContact O-N 3.42Å |
| 214 | T | 96.9 | Very high | 97 | Very high | 14 Ų | 14 | 59 Ų | 59 | 9% | 0.086 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.2 | -50.5 | 178.9 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | F192 G210 Q211 Q212 Q217 A218 A219 F222 | F192-T214 WeakPolarHBondContact CD2-OG1 3.47Å; G210-T214 PolarHBondContact O-N 3.22Å; G210-T214 VanDerWaalsContact O-N 3.07Å; G210-T214 PolarHBondContact O-OG1 2.79Å; Q211-T214 WeakPolarHBondContact O-CB 3.35Å; Q211-T214 PolarHBondContact O-N 3.22Å; Q211-T214 VanDerWaalsContact O-N 3.14Å; Q212-T214 VanDerWaalsContact C-N 3.35Å; T214-Q217 PolarHBondContact O-N 3.35Å; T214-A218 PolarHBondContact O-N 3.42Å; T214-A218 VanDerWaalsContact O-N 3.08Å; T214-A219 HydrophobicContact CG2-CB 3.86Å; T214-A219 PolarHBondContact O-N 3.19Å; T214-F222 HydrophobicContact CG2-CB 4.05Å; T214-F222 WeakPolarHBondContact OG1-CB 3.38Å |
| 215 | S | 96.6 | Very high | 97 | Very high | 100 Ų | 100 | 52.7 Ų | 52.7 | 70% | 0.699 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.4 | -43.6 | 178.2 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | Q211 Q212 Q217 A218 | Q211-S215 PolarHBondContact O-N 3.09Å; Q211-S215 PolarHBondContact O-OG 3.05Å; Q212-S215 PolarHBondContact O-N 3.34Å; S215-Q217 VanDerWaalsContact C-N 3.25Å; S215-Q217 PolarHBondContact O-N 3.2Å; S215-A218 PolarHBondContact O-N 2.82Å |
| 216 | Q | 96.6 | Very high | 97.1 | Very high | 101 Ų | 101 | 52.6 Ų | 52.6 | 47% | 0.472 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.5 | -23 | -179.3 | -77 | 177 | 1.4 | 0 | 0 | 113.7 | R173 Q212 L213 | R173-Q216 VanDerWaalsContact CZ-OE1 3.23Å; Q212-Q216 HydrophobicContact CG-CG 4.38Å; Q212-Q216 VanDerWaalsContact NE2-NE2 3.16Å; Q212-Q216 VanDerWaalsContact O-CB 3.28Å; Q212-Q216 WeakPolarHBondContact O-CB 3.4Å; Q212-Q216 VanDerWaalsContact O-CG 3.23Å; Q212-Q216 WeakPolarHBondContact O-CG 3.43Å; Q212-Q216 PolarHBondContact O-N 3.48Å; L213-Q216 PolarHBondContact O-N 2.97Å |
| 217 | Q | 94.7 | Very high | 97 | Very high | 85 Ų | 85 | 51.1 Ų | 51.1 | 40% | 0.397 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 5.8 | 179.3 | -58.4 | -60 | -81.5 | 0 | 0 | 112.7 | L177 F192 L213 T214 S215 A219 | L177-Q217 HydrophobicContact CD1-CB 4.27Å; L177-Q217 HydrophobicContact CD1-CG 3.8Å; F192-Q217 HydrophobicContact CE2-CB 4.09Å; F192-Q217 HydrophobicContact CE2-CG 4.37Å; F192-Q217 HydrophobicContact CZ-CB 4.06Å; F192-Q217 HydrophobicContact CZ-CG 4.37Å; L213-Q217 HydrophobicContact CD1-CG 4.11Å; L213-Q217 WeakPolarHBondContact O-CG 3.4Å; L213-Q217 PolarHBondContact O-N 3.42Å; T214-Q217 PolarHBondContact O-N 3.35Å; S215-Q217 VanDerWaalsContact C-N 3.25Å; S215-Q217 PolarHBondContact O-N 3.2Å; Q217-A219 PolarHBondContact O-N 3.24Å; Q217-A219 VanDerWaalsContact O-N 3.16Å |
| 218 | A | 94.2 | Very high | 97 | Very high | 77 Ų | 77 | 55.1 Ų | 55.1 | 64% | 0.636 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 38.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113 | T214 S215 | T214-A218 PolarHBondContact O-N 3.42Å; T214-A218 VanDerWaalsContact O-N 3.08Å; S215-A218 PolarHBondContact O-N 2.82Å |
| 219 | A | 95.2 | Very high | 96.8 | Very high | 18 Ų | 18 | 53.7 Ų | 53.7 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | trans | -69.5 | 149.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V190 F192 T214 Q217 G221 | V190-A219 CarbonylContact O-C 3.57Å; F192-A219 HydrophobicContact CD2-CB 3.91Å; F192-A219 HydrophobicContact CE1-CB 4.33Å; F192-A219 HydrophobicContact CE2-CB 3.58Å; F192-A219 HydrophobicContact CG-CB 4.39Å; F192-A219 HydrophobicContact CZ-CB 3.81Å; T214-A219 HydrophobicContact CG2-CB 3.86Å; T214-A219 PolarHBondContact O-N 3.19Å; Q217-A219 PolarHBondContact O-N 3.24Å; Q217-A219 VanDerWaalsContact O-N 3.16Å; A219-G221 VanDerWaalsContact C-N 3.28Å; A219-G221 PolarHBondContact O-N 3.44Å | ||
| 220 | H | 96.9 | Very high | 96.8 | Very high | 99 Ų | 99 | 52.2 Ų | 52.2 | 46% | 0.458 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -78.6 | -12.9 | -170.9 | -67.1 | 57 | 0 | 0 | 0 | 112.9 | P189 V190 F191 | P189-H220 HydrophobicContact CB-CB 4.48Å; V190-H220 PolarHBondContact O-N 3.21Å; F191-H220 HydrophobicContact CD2-CB 4.36Å; F191-H220 HydrophobicContact CE1-CB 4.47Å; F191-H220 HydrophobicContact CE2-CB 3.88Å; F191-H220 HydrophobicContact CZ-CB 3.95Å |
| 221 | G | 96.7 | Very high | 96.8 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 14% | 0.144 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.6 | 160.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F191 F192 A219 | F191-G221 WeakPolarHBondContact CA-O 3.28Å; F192-G221 PolarHBondContact N-O 3.42Å; A219-G221 VanDerWaalsContact C-N 3.28Å; A219-G221 PolarHBondContact O-N 3.44Å |
| 222 | F | 98.4 | Very high | 96.8 | Very high | 40 Ų | 40 | 55.4 Ų | 55.4 | 18% | 0.175 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.2 | 175.4 | 176.4 | -109.6 | 0 | 0 | 0 | 109.7 | Y161 F192 A194 T207 Q211 T214 E224 | Y161-F222 HydrophobicContact CE1-CE2 4.2Å; F192-F222 HydrophobicContact CB-CD2 4.16Å; F192-F222 WeakPolarHBondContact O-CA 3.39Å; A194-F222 HydrophobicContact CB-CE2 3.79Å; A194-F222 HydrophobicContact CB-CZ 3.74Å; T207-F222 HydrophobicContact CG2-CE1 4.16Å; Q211-F222 HydrophobicContact CG-CD1 3.8Å; Q211-F222 HydrophobicContact CG-CE1 4Å; T214-F222 HydrophobicContact CG2-CB 4.05Å; T214-F222 WeakPolarHBondContact OG1-CB 3.38Å; F222-E224 HydrophobicContact CE1-CG 3.87Å; F222-E224 HydrophobicContact CZ-CG 3.91Å |
| 223 | F | 98.6 | Very high | 96.8 | Very high | 37 Ų | 37 | 50.3 Ų | 50.3 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 127.5 | 179.3 | -71.5 | -96.8 | 0 | 0 | 0 | 111.3 | F191 F192 V193 A194 T225 N235 L236 A239 | F191-F223 HydrophobicContact CD1-CD2 4.15Å; F191-F223 AromaticContact CD1-CE2 3.78Å; F191-F223 HydrophobicContact CD1-CE2 3.78Å; F191-F223 AromaticContact CE1-CE2 3.97Å; F191-F223 HydrophobicContact CE1-CE2 3.97Å; F192-F223 PolarHBondContact O-N 2.89Å; V193-F223 CarbonylContact C-O 3.56Å; V193-F223 WeakPolarHBondContact CA-O 3.48Å; V193-F223 HydrophobicContact CG2-CB 4.49Å; A194-F223 PolarHBondContact N-O 3.41Å; F223-T225 HydrophobicContact CB-CG2 4.03Å; F223-N235 HydrophobicContact CE1-CB 4.28Å; F223-L236 HydrophobicContact CB-CB 4.42Å; F223-L236 HydrophobicContact CB-CD1 4.16Å; F223-L236 HydrophobicContact CD1-CB 4.05Å; F223-L236 HydrophobicContact CD2-CB 4.48Å; F223-L236 HydrophobicContact CD2-CD1 3.53Å; F223-L236 HydrophobicContact CE1-CB 4.49Å; F223-L236 HydrophobicContact CE2-CD1 4.08Å; F223-L236 HydrophobicContact CG-CB 4.05Å; F223-L236 HydrophobicContact CG-CD1 3.83Å; F223-A239 HydrophobicContact CE1-CB 4.36Å; F223-A239 HydrophobicContact CE2-CB 4.03Å; F223-A239 HydrophobicContact CZ-CB 3.43Å; F223-A239 VanDerWaalsContact CZ-CB 3.43Å |
| 224 | E | 98.5 | Very high | 96.8 | Very high | 46 Ų | 46 | 54.6 Ų | 54.6 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 114.8 | 163.9 | -80.3 | -161 | 113.6 | 0 | 0 | 108.9 | A194 I197 K203 T207 F222 N232 | A194-E224 HydrophobicContact CB-CG 3.96Å; A194-E224 CarbonylContact O-C 3.57Å; A194-E224 WeakPolarHBondContact O-CA 3.16Å; I197-E224 HydrophobicContact CD1-CB 3.94Å; I197-E224 WeakPolarHBondContact CD1-O 3.41Å; I197-E224 HydrophobicContact CG2-CB 3.86Å; I197-E224 HydrophobicContact CG2-CG 4.13Å; K203-E224 IonicContact NZ-OE1 2.6Å; K203-E224 PolarHBondContact NZ-OE1 2.96Å; T207-E224 WeakPolarHBondContact CG2-OE2 3.3Å; T207-E224 VanDerWaalsContact OG1-CD 3.28Å; T207-E224 PolarHBondContact OG1-OE1 3.13Å; T207-E224 PolarHBondContact OG1-OE2 3.33Å; T207-E224 VanDerWaalsContact OG1-OE2 3.11Å; F222-E224 HydrophobicContact CE1-CG 3.87Å; F222-E224 HydrophobicContact CZ-CG 3.91Å; E224-N232 VanDerWaalsContact O-CB 3.3Å; E224-N232 WeakPolarHBondContact O-CB 3.5Å; E224-N232 PolarHBondContact O-ND2 2.77Å |
| 225 | T | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -122.2 | 156.4 | -175.4 | 65.9 | 0 | 0 | 0 | 0 | 112.8 | V193 A194 N195 K196 I197 F223 K231 N232 I233 L236 | V193-T225 HydrophobicContact CG1-CG2 3.71Å; V193-T225 WeakPolarHBondContact CG1-OG1 3.18Å; A194-T225 PolarHBondContact O-N 3.02Å; N195-T225 CarbonylContact C-O 3.57Å; N195-T225 VanDerWaalsContact CA-O 3.31Å; N195-T225 WeakPolarHBondContact CA-O 3.44Å; N195-T225 PolarHBondContact OD1-O 3.46Å; N195-T225 PolarHBondContact OD1-OG1 3.49Å; N195-T225 VanDerWaalsContact OD1-OG1 3.05Å; K196-T225 PolarHBondContact N-O 2.77Å; I197-T225 WeakPolarHBondContact CG1-O 3.12Å; I197-T225 PolarHBondContact N-O 2.86Å; F223-T225 HydrophobicContact CB-CG2 4.03Å; T225-K231 WeakPolarHBondContact CA-O 3.39Å; T225-N232 HydrophobicContact CG2-CB 4.09Å; T225-I233 HydrophobicContact CG2-CD1 4.28Å; T225-L236 HydrophobicContact CG2-CD2 4.33Å | ||
| 226 | S | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -133.4 | 106.7 | 164.4 | 164.2 | 0 | 0 | 0 | 0 | 108.8 | D198 K228 T229 G230 K231 | D198-S226 VanDerWaalsContact CG-OG 3.3Å; D198-S226 VanDerWaalsContact OD1-CB 3.25Å; D198-S226 WeakPolarHBondContact OD1-CB 3.38Å; D198-S226 PolarHBondContact OD1-OG 3.1Å; S226-K228 PolarHBondContact O-N 3.33Å; S226-K228 PolarHBondContact OG-N 3.29Å; S226-T229 WeakPolarHBondContact CB-OG1 2.89Å; S226-T229 PolarHBondContact O-N 2.9Å; S226-T229 PolarHBondContact OG-N 2.71Å; S226-T229 VanDerWaalsContact OG-N 3.11Å; S226-T229 PolarHBondContact OG-OG1 3.03Å; S226-G230 CarbonylContact O-C 3.55Å; S226-G230 WeakPolarHBondContact O-CA 3.27Å; S226-G230 PolarHBondContact O-N 3.01Å; S226-K231 PolarHBondContact N-O 3.22Å; S226-K231 VanDerWaalsContact N-O 3.12Å; S226-K231 PolarHBondContact O-N 3.24Å |
| 227 | A | 96.2 | Very high | 97 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I97 F106 N195 | I97-A227 HydrophobicContact CG1-CB 4.04Å; F106-A227 HydrophobicContact CE2-CB 4.43Å; N195-A227 PolarHBondContact OD1-N 2.94Å |
| 228 | K | 95.4 | Very high | 97.2 | Very high | 112 Ų | 112 | 47.4 Ų | 47.4 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -42.5 | 177.4 | -176.2 | -175.1 | -175.1 | 177.2 | 0 | 112.7 | F106 D198 S226 | F106-K228 HydrophobicContact CD1-CB 4.16Å; F106-K228 HydrophobicContact CD1-CG 3.81Å; F106-K228 HydrophobicContact CD2-CB 4.2Å; F106-K228 HydrophobicContact CE1-CB 4.07Å; F106-K228 HydrophobicContact CE1-CD 4.39Å; F106-K228 HydrophobicContact CE1-CG 3.86Å; F106-K228 HydrophobicContact CE2-CB 4.11Å; F106-K228 HydrophobicContact CG-CB 4.22Å; F106-K228 HydrophobicContact CG-CG 4.24Å; F106-K228 HydrophobicContact CZ-CB 4.04Å; F106-K228 HydrophobicContact CZ-CG 4.34Å; D198-K228 WeakPolarHBondContact OD2-CD 3.24Å; D198-K228 IonicContact OD2-NZ 3.67Å; S226-K228 PolarHBondContact O-N 3.33Å; S226-K228 PolarHBondContact OG-N 3.29Å |
| 229 | T | 95.2 | Very high | 97.4 | Very high | 92 Ų | 92 | 44.7 Ų | 44.7 | 56% | 0.564 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -10.6 | -176.3 | 62 | 0 | 0 | 0 | 0 | 113.2 | D198 S226 K231 | D198-T229 HydrophobicContact CB-CG2 4.14Å; S226-T229 WeakPolarHBondContact CB-OG1 2.89Å; S226-T229 PolarHBondContact O-N 2.9Å; S226-T229 PolarHBondContact OG-N 2.71Å; S226-T229 VanDerWaalsContact OG-N 3.11Å; S226-T229 PolarHBondContact OG-OG1 3.03Å; T229-K231 PolarHBondContact O-N 2.74Å; T229-K231 WeakPolarHBondContact OG1-CB 3.18Å; T229-K231 PolarHBondContact OG1-N 2.91Å |
| 230 | G | 96 | Very high | 97.5 | Very high | 36 Ų | 36 | 43.9 Ų | 43.9 | 37% | 0.371 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | -0.3 | -171 | 0 | 0 | 0 | 0 | 0 | 114 | S226 N232 I233 | S226-G230 CarbonylContact O-C 3.55Å; S226-G230 WeakPolarHBondContact O-CA 3.27Å; S226-G230 PolarHBondContact O-N 3.01Å; G230-N232 PolarHBondContact O-N 3.03Å; G230-I233 WeakPolarHBondContact O-CG1 3.46Å; G230-I233 PolarHBondContact O-N 3.07Å |
| 231 | K | 97.6 | Very high | 97.5 | Very high | 118 Ų | 118 | 39.1 Ų | 39.1 | 51% | 0.513 | 21% | 0.208 | S | C | . | . | B | Isolated β-bridge | trans | -58.1 | 127.5 | -176.2 | -178.8 | 167.7 | 171.8 | -176.8 | 0 | 111.1 | I197 T225 S226 T229 I233 | I197-K231 HydrophobicContact CD1-CD 3.73Å; I197-K231 HydrophobicContact CD1-CG 4.16Å; T225-K231 WeakPolarHBondContact CA-O 3.39Å; S226-K231 PolarHBondContact N-O 3.22Å; S226-K231 VanDerWaalsContact N-O 3.12Å; S226-K231 PolarHBondContact O-N 3.24Å; T229-K231 PolarHBondContact O-N 2.74Å; T229-K231 WeakPolarHBondContact OG1-CB 3.18Å; T229-K231 PolarHBondContact OG1-N 2.91Å; K231-I233 PolarHBondContact O-N 3.39Å; K231-I233 VanDerWaalsContact O-N 3.12Å |
| 232 | N | 98 | Very high | 97.6 | Very high | 50 Ų | 50 | 42.9 Ų | 42.9 | 27% | 0.267 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 8.6 | 179.4 | -72.3 | -26.3 | 0 | 0 | 0 | 116.6 | E224 T225 G230 N235 L236 | E224-N232 VanDerWaalsContact O-CB 3.3Å; E224-N232 WeakPolarHBondContact O-CB 3.5Å; E224-N232 PolarHBondContact O-ND2 2.77Å; T225-N232 HydrophobicContact CG2-CB 4.09Å; G230-N232 PolarHBondContact O-N 3.03Å; N232-N235 PolarHBondContact O-N 2.82Å; N232-N235 PolarHBondContact OD1-ND2 2.77Å; N232-N235 VanDerWaalsContact OD1-ND2 3.09Å; N232-L236 WeakPolarHBondContact O-CB 3.43Å; N232-L236 PolarHBondContact O-N 3.29Å |
| 233 | I | 98 | Very high | 97.5 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.1 | -50 | 179.8 | -57.5 | -66.2 | 0 | 0 | 0 | 110.7 | I97 A100 L101 T225 G230 K231 N235 L236 F237 | I97-I233 HydrophobicContact CB-CD1 4.31Å; I97-I233 HydrophobicContact CG1-CD1 3.98Å; I97-I233 HydrophobicContact CG2-CD1 4.06Å; A100-I233 HydrophobicContact CB-CD1 4.49Å; A100-I233 HydrophobicContact CB-CG1 4.05Å; A100-I233 HydrophobicContact CB-CG2 4.26Å; L101-I233 HydrophobicContact CB-CG2 3.84Å; T225-I233 HydrophobicContact CG2-CD1 4.28Å; G230-I233 WeakPolarHBondContact O-CG1 3.46Å; G230-I233 PolarHBondContact O-N 3.07Å; K231-I233 PolarHBondContact O-N 3.39Å; K231-I233 VanDerWaalsContact O-N 3.12Å; I233-N235 PolarHBondContact O-N 3.24Å; I233-L236 PolarHBondContact O-N 3.18Å; I233-F237 HydrophobicContact CG2-CD2 4.24Å; I233-F237 HydrophobicContact CG2-CE2 4.2Å; I233-F237 VanDerWaalsContact O-CD2 3.3Å; I233-F237 WeakPolarHBondContact O-CD2 3.2Å; I233-F237 PolarHBondContact O-N 3.41Å |
| 234 | Q | 97.4 | Very high | 97.3 | Very high | 99 Ų | 99 | 40.1 Ų | 40.1 | 46% | 0.463 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 177.2 | -64.4 | -60.7 | -26.8 | 0 | 0 | 111.8 | L101 L236 F237 Q238 | L101-Q234 PolarHBondContact O-NE2 2.54Å; Q234-L236 VanDerWaalsContact C-N 3.34Å; Q234-L236 PolarHBondContact O-N 3.33Å; Q234-F237 PolarHBondContact O-N 3.37Å; Q234-Q238 VanDerWaalsContact O-CB 3.3Å; Q234-Q238 WeakPolarHBondContact O-CB 3.21Å; Q234-Q238 PolarHBondContact O-N 3.29Å |
| 235 | N | 98.1 | Very high | 97.1 | Very high | 93 Ų | 93 | 38.9 Ų | 38.9 | 50% | 0.497 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.7 | -41.5 | 179.3 | -62.5 | -13.9 | 0 | 0 | 0 | 112.1 | F223 N232 I233 A239 | F223-N235 HydrophobicContact CE1-CB 4.28Å; N232-N235 PolarHBondContact O-N 2.82Å; N232-N235 PolarHBondContact OD1-ND2 2.77Å; N232-N235 VanDerWaalsContact OD1-ND2 3.09Å; I233-N235 PolarHBondContact O-N 3.24Å; N235-A239 WeakPolarHBondContact O-CB 3.37Å; N235-A239 PolarHBondContact O-N 2.67Å |
| 236 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.1 | -54.3 | 175 | 166.9 | 64 | 0 | 0 | 0 | 111.1 | I158 V193 F223 T225 N232 I233 Q234 A239 V240 | I158-L236 HydrophobicContact CG2-CD2 4.43Å; V193-L236 HydrophobicContact CG1-CD2 4.34Å; V193-L236 HydrophobicContact CG2-CD1 3.74Å; V193-L236 HydrophobicContact CG2-CD2 3.65Å; V193-L236 HydrophobicContact CG2-CG 4.36Å; F223-L236 HydrophobicContact CB-CB 4.42Å; F223-L236 HydrophobicContact CB-CD1 4.16Å; F223-L236 HydrophobicContact CD1-CB 4.05Å; F223-L236 HydrophobicContact CD2-CB 4.48Å; F223-L236 HydrophobicContact CD2-CD1 3.53Å; F223-L236 HydrophobicContact CE1-CB 4.49Å; F223-L236 HydrophobicContact CE2-CD1 4.08Å; F223-L236 HydrophobicContact CG-CB 4.05Å; F223-L236 HydrophobicContact CG-CD1 3.83Å; T225-L236 HydrophobicContact CG2-CD2 4.33Å; N232-L236 WeakPolarHBondContact O-CB 3.43Å; N232-L236 PolarHBondContact O-N 3.29Å; I233-L236 PolarHBondContact O-N 3.18Å; Q234-L236 VanDerWaalsContact C-N 3.34Å; Q234-L236 PolarHBondContact O-N 3.33Å; L236-A239 PolarHBondContact O-N 3.38Å; L236-V240 HydrophobicContact CD1-CG2 4.27Å; L236-V240 VanDerWaalsContact O-CG2 3.3Å; L236-V240 WeakPolarHBondContact O-CG2 3.36Å; L236-V240 PolarHBondContact O-N 3.47Å |
| 237 | F | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -74.3 | -27.6 | -175.1 | -72.6 | -80.6 | 0 | 0 | 0 | 113.1 | L86 I97 L101 F123 L132 V134 I158 I233 Q234 V240 A241 | L86-F237 HydrophobicContact CD1-CE1 4.4Å; L86-F237 HydrophobicContact CD1-CZ 4.37Å; I97-F237 HydrophobicContact CG2-CE2 3.71Å; I97-F237 HydrophobicContact CG2-CZ 3.99Å; L101-F237 HydrophobicContact CB-CD2 4.21Å; L101-F237 HydrophobicContact CB-CE2 4.04Å; L101-F237 HydrophobicContact CD1-CB 4.16Å; L101-F237 HydrophobicContact CD1-CD2 3.72Å; L101-F237 HydrophobicContact CD1-CE2 4.4Å; L101-F237 HydrophobicContact CD1-CG 4.09Å; L101-F237 HydrophobicContact CD2-CD1 4.05Å; L101-F237 HydrophobicContact CD2-CD2 3.71Å; L101-F237 HydrophobicContact CD2-CE1 4.13Å; L101-F237 HydrophobicContact CD2-CE2 3.8Å; L101-F237 HydrophobicContact CD2-CG 3.84Å; L101-F237 HydrophobicContact CD2-CZ 4.01Å; L101-F237 HydrophobicContact CG-CD2 4.06Å; L101-F237 HydrophobicContact CG-CE2 4.27Å; F123-F237 HydrophobicContact CE1-CB 3.66Å; F123-F237 HydrophobicContact CE2-CB 3.96Å; F123-F237 HydrophobicContact CZ-CB 3.24Å; F123-F237 HydrophobicContact CZ-CG 4.2Å; L132-F237 HydrophobicContact CD1-CB 4.41Å; L132-F237 HydrophobicContact CD1-CD1 4.21Å; V134-F237 HydrophobicContact CB-CE1 4.39Å; V134-F237 HydrophobicContact CG1-CE1 3.72Å; V134-F237 HydrophobicContact CG1-CZ 4.06Å; V134-F237 HydrophobicContact CG2-CD1 4.08Å; V134-F237 HydrophobicContact CG2-CE1 3.7Å; I158-F237 HydrophobicContact CD1-CD1 4.25Å; I158-F237 HydrophobicContact CD1-CE1 3.74Å; I158-F237 HydrophobicContact CD1-CZ 4.28Å; I233-F237 HydrophobicContact CG2-CD2 4.24Å; I233-F237 HydrophobicContact CG2-CE2 4.2Å; I233-F237 VanDerWaalsContact O-CD2 3.3Å; I233-F237 WeakPolarHBondContact O-CD2 3.2Å; I233-F237 PolarHBondContact O-N 3.41Å; Q234-F237 PolarHBondContact O-N 3.37Å; F237-V240 PolarHBondContact O-N 2.88Å; F237-A241 WeakPolarHBondContact O-CB 3.38Å; F237-A241 PolarHBondContact O-N 3.17Å |
| 238 | Q | 98.1 | Very high | 96.4 | Very high | 55 Ų | 55 | 49.5 Ų | 49.5 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.4 | -48.8 | 169.2 | -179.4 | 64.4 | 29.8 | 0 | 0 | 110.8 | F123 T124 Q234 V240 A241 E242 | F123-Q238 HydrophobicContact CD1-CB 4.39Å; T124-Q238 PolarHBondContact O-NE2 3.1Å; Q234-Q238 VanDerWaalsContact O-CB 3.3Å; Q234-Q238 WeakPolarHBondContact O-CB 3.21Å; Q234-Q238 PolarHBondContact O-N 3.29Å; Q238-V240 VanDerWaalsContact C-N 3.31Å; Q238-V240 PolarHBondContact O-N 3.25Å; Q238-A241 WeakPolarHBondContact O-CB 3.28Å; Q238-A241 PolarHBondContact O-N 3.27Å; Q238-A241 VanDerWaalsContact O-N 3.12Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.2Å; Q238-E242 PolarHBondContact NE2-OE1 2.97Å; Q238-E242 WeakPolarHBondContact O-CG 3.44Å; Q238-E242 PolarHBondContact O-N 3.46Å |
| 239 | A | 98.3 | Very high | 96 | Very high | 21 Ų | 21 | 45.8 Ų | 45.8 | 17% | 0.174 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -35.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F191 F223 N235 L236 E242 C243 | F191-A239 HydrophobicContact CE1-CB 4.43Å; F223-A239 HydrophobicContact CE1-CB 4.36Å; F223-A239 HydrophobicContact CE2-CB 4.03Å; F223-A239 HydrophobicContact CZ-CB 3.43Å; F223-A239 VanDerWaalsContact CZ-CB 3.43Å; N235-A239 WeakPolarHBondContact O-CB 3.37Å; N235-A239 PolarHBondContact O-N 2.67Å; L236-A239 PolarHBondContact O-N 3.38Å; A239-E242 PolarHBondContact O-N 3.23Å; A239-C243 VanDerWaalsContact O-CB 3.25Å; A239-C243 WeakPolarHBondContact O-CB 3.15Å; A239-C243 PolarHBondContact O-N 3.5Å |
| 240 | V | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -46.7 | 171.7 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | V84 L132 C156 I158 F191 L236 F237 Q238 E242 C243 M244 | V84-V240 HydrophobicContact CG1-CG1 4.31Å; V84-V240 HydrophobicContact CG2-CG1 3.96Å; L132-V240 HydrophobicContact CD1-CB 4.36Å; L132-V240 HydrophobicContact CD1-CG1 3.97Å; C156-V240 HydrophobicContact CB-CG1 4.41Å; I158-V240 HydrophobicContact CD1-CG2 3.97Å; I158-V240 HydrophobicContact CG1-CG2 4.28Å; F191-V240 HydrophobicContact CD1-CG2 4.3Å; F191-V240 HydrophobicContact CD2-CG2 3.84Å; F191-V240 HydrophobicContact CE1-CG2 4.35Å; F191-V240 HydrophobicContact CE2-CG2 3.9Å; F191-V240 HydrophobicContact CG-CG2 4.05Å; F191-V240 HydrophobicContact CZ-CG2 4.16Å; L236-V240 HydrophobicContact CD1-CG2 4.27Å; L236-V240 VanDerWaalsContact O-CG2 3.3Å; L236-V240 WeakPolarHBondContact O-CG2 3.36Å; L236-V240 PolarHBondContact O-N 3.47Å; F237-V240 PolarHBondContact O-N 2.88Å; Q238-V240 VanDerWaalsContact C-N 3.31Å; Q238-V240 PolarHBondContact O-N 3.25Å; V240-E242 PolarHBondContact O-N 2.73Å; V240-C243 PolarHBondContact O-N 3.46Å; V240-M244 HydrophobicContact CG1-CG 4.43Å; V240-M244 VanDerWaalsContact O-CG 3.28Å; V240-M244 WeakPolarHBondContact O-CG 3.46Å; V240-M244 PolarHBondContact O-N 3.26Å |
| 241 | A | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F123 V125 V130 L132 F237 Q238 M244 V245 | F123-A241 HydrophobicContact CB-CB 3.73Å; F123-A241 HydrophobicContact CD2-CB 4.35Å; F123-A241 HydrophobicContact CG-CB 4.07Å; V125-A241 HydrophobicContact CG2-CB 3.66Å; V130-A241 HydrophobicContact CB-CB 4.42Å; V130-A241 HydrophobicContact CG1-CB 4.26Å; L132-A241 HydrophobicContact CD1-CB 4.16Å; L132-A241 HydrophobicContact CD2-CB 4.39Å; L132-A241 HydrophobicContact CG-CB 4.39Å; F237-A241 WeakPolarHBondContact O-CB 3.38Å; F237-A241 PolarHBondContact O-N 3.17Å; Q238-A241 WeakPolarHBondContact O-CB 3.28Å; Q238-A241 PolarHBondContact O-N 3.27Å; Q238-A241 VanDerWaalsContact O-N 3.12Å; A241-M244 PolarHBondContact O-N 2.99Å; A241-V245 WeakPolarHBondContact O-CG2 3.3Å; A241-V245 PolarHBondContact O-N 3.32Å |
| 242 | E | 97 | Very high | 92.3 | Very high | 92 Ų | 92 | 43.8 Ų | 43.8 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 174.8 | -73.5 | 164.5 | -173.8 | 0 | 0 | 111.6 | V125 Q238 A239 V240 M244 V245 S246 | V125-E242 HydrophobicContact CG1-CB 4.43Å; V125-E242 HydrophobicContact CG1-CG 3.9Å; V125-E242 HydrophobicContact CG2-CG 4.04Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.2Å; Q238-E242 PolarHBondContact NE2-OE1 2.97Å; Q238-E242 WeakPolarHBondContact O-CG 3.44Å; Q238-E242 PolarHBondContact O-N 3.46Å; A239-E242 PolarHBondContact O-N 3.23Å; V240-E242 PolarHBondContact O-N 2.73Å; E242-M244 VanDerWaalsContact C-N 3.32Å; E242-M244 PolarHBondContact O-N 3.26Å; E242-V245 PolarHBondContact O-N 3.18Å; E242-S246 WeakPolarHBondContact O-CB 3.46Å; E242-S246 PolarHBondContact O-N 3.18Å |
| 243 | C | 96.7 | Very high | 90.8 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 14% | 0.135 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -39.8 | 175.8 | -179.8 | 0 | 0 | 0 | 0 | 112.1 | F191 A239 V240 S246 T247 | F191-C243 HydrophobicContact CE2-CB 4.02Å; F191-C243 HydrophobicContact CZ-CB 3.71Å; A239-C243 VanDerWaalsContact O-CB 3.25Å; A239-C243 WeakPolarHBondContact O-CB 3.15Å; A239-C243 PolarHBondContact O-N 3.5Å; V240-C243 PolarHBondContact O-N 3.46Å; C243-S246 PolarHBondContact O-N 2.98Å; C243-T247 VanDerWaalsContact O-CB 3.26Å; C243-T247 WeakPolarHBondContact O-CB 3.34Å; C243-T247 PolarHBondContact O-N 2.65Å; C243-T247 PolarHBondContact O-OG1 2.78Å |
| 244 | M | 94.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 176.7 | -69.5 | -55.2 | 93.5 | 0 | 0 | 112.1 | F82 L132 K155 C156 P189 V240 A241 E242 T247 W248 | F82-M244 HydrophobicContact CB-CB 4.43Å; F82-M244 HydrophobicContact CB-CG 3.98Å; F82-M244 HydrophobicContact CB-SD 4.27Å; F82-M244 HydrophobicContact CD1-CB 4.39Å; F82-M244 HydrophobicContact CD2-CB 3.49Å; F82-M244 VanDerWaalsContact CD2-CB 3.49Å; F82-M244 HydrophobicContact CD2-CG 3.97Å; F82-M244 HydrophobicContact CE2-CB 3.7Å; F82-M244 HydrophobicContact CG-CB 3.85Å; F82-M244 HydrophobicContact CG-CG 3.93Å; F82-M244 HydrophobicContact CG-SD 4.32Å; F82-M244 HydrophobicContact CZ-CB 4.25Å; L132-M244 HydrophobicContact CD2-CG 4.31Å; K155-M244 HydrophobicContact CB-SD 3.97Å; K155-M244 VanDerWaalsContact O-SD 3.42Å; C156-M244 HydrophobicContact CB-CE 3.5Å; C156-M244 VanDerWaalsContact CB-CE 3.5Å; C156-M244 HydrophobicContact CB-SD 3.74Å; P189-M244 HydrophobicContact CB-CE 3.6Å; P189-M244 HydrophobicContact CG-CE 3.56Å; V240-M244 HydrophobicContact CG1-CG 4.43Å; V240-M244 VanDerWaalsContact O-CG 3.28Å; V240-M244 WeakPolarHBondContact O-CG 3.46Å; V240-M244 PolarHBondContact O-N 3.26Å; A241-M244 PolarHBondContact O-N 2.99Å; E242-M244 VanDerWaalsContact C-N 3.32Å; E242-M244 PolarHBondContact O-N 3.26Å; M244-T247 PolarHBondContact O-N 3.18Å; M244-W248 WeakPolarHBondContact O-CB 3.38Å; M244-W248 PolarHBondContact O-N 3.2Å |
| 245 | V | 94 | Very high | 87.6 | Confident | 19 Ų | 19 | 51.4 Ų | 51.4 | 12% | 0.115 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 176.7 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | V125 V130 A241 E242 T247 G249 A250 | V125-V245 HydrophobicContact CB-CG2 4.06Å; V125-V245 HydrophobicContact CG1-CB 3.99Å; V125-V245 HydrophobicContact CG1-CG1 4.24Å; V125-V245 HydrophobicContact CG1-CG2 3.93Å; V125-V245 HydrophobicContact CG2-CG2 4.35Å; V130-V245 HydrophobicContact CG1-CG2 4.49Å; V130-V245 HydrophobicContact CG2-CG2 3.34Å; A241-V245 WeakPolarHBondContact O-CG2 3.3Å; A241-V245 PolarHBondContact O-N 3.32Å; E242-V245 PolarHBondContact O-N 3.18Å; V245-T247 VanDerWaalsContact C-N 3.29Å; V245-T247 PolarHBondContact O-N 3.48Å; V245-G249 WeakPolarHBondContact O-CA 3.37Å; V245-G249 PolarHBondContact O-N 2.76Å; V245-A250 HydrophobicContact CG1-CB 4.22Å |
| 246 | S | 92.9 | Very high | 86 | Confident | 83 Ų | 83 | 49.4 Ų | 49.4 | 58% | 0.58 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -64 | -33.3 | 177.7 | -177.6 | 0 | 0 | 0 | 0 | 113 | E242 C243 | E242-S246 WeakPolarHBondContact O-CB 3.46Å; E242-S246 PolarHBondContact O-N 3.18Å; C243-S246 PolarHBondContact O-N 2.98Å |
| 247 | T | 92.4 | Very high | 84.2 | Confident | 64 Ų | 64 | 54.6 Ų | 54.6 | 39% | 0.393 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -87.8 | -45.1 | -175 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | P189 C243 M244 V245 | P189-T247 HydrophobicContact CG-CG2 4.06Å; C243-T247 VanDerWaalsContact O-CB 3.26Å; C243-T247 WeakPolarHBondContact O-CB 3.34Å; C243-T247 PolarHBondContact O-N 2.65Å; C243-T247 PolarHBondContact O-OG1 2.78Å; M244-T247 PolarHBondContact O-N 3.18Å; V245-T247 VanDerWaalsContact C-N 3.29Å; V245-T247 PolarHBondContact O-N 3.48Å |
| 248 | W | 92.4 | Very high | 82.1 | Confident | 83 Ų | 83 | 59.1 Ų | 59.1 | 31% | 0.314 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -110 | -8.7 | -169.7 | -56.5 | 107.5 | 0 | 0 | 0 | 113.5 | F82 K155 V188 M244 | F82-W248 HydrophobicContact CE1-CB 3.56Å; F82-W248 AromaticContact CE1-CG 4Å; F82-W248 HydrophobicContact CE1-CG 4Å; F82-W248 HydrophobicContact CZ-CB 3.91Å; K155-W248 HydrophobicContact CD-CD2 4.31Å; K155-W248 HydrophobicContact CD-CH2 4.3Å; K155-W248 HydrophobicContact CD-CZ2 3.91Å; K155-W248 PolarHBondContact O-NE1 2.95Å; V188-W248 HydrophobicContact CG1-CZ2 4.2Å; M244-W248 WeakPolarHBondContact O-CB 3.38Å; M244-W248 PolarHBondContact O-N 3.2Å |
| 249 | G | 86.2 | Confident | 80.1 | Confident | 35 Ų | 35 | 61.7 Ų | 61.7 | 36% | 0.361 | 32% | 0.324 | S | S | . | . | trans | 76.1 | 154.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V245 | V245-G249 WeakPolarHBondContact O-CA 3.37Å; V245-G249 PolarHBondContact O-N 2.76Å | ||
| 250 | A | 76.9 | Confident | 78 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -96.5 | 140.2 | 159 | 0 | 0 | 0 | 0 | 0 | 108.6 | H128 V245 K252 | H128-A250 HydrophobicContact CB-CB 3.96Å; H128-A250 VanDerWaalsContact CD2-CB 3.45Å; H128-A250 WeakPolarHBondContact CD2-CB 3.46Å; V245-A250 HydrophobicContact CG1-CB 4.22Å; A250-K252 PolarHBondContact O-N 2.88Å |
| 251 | P | 68.7 | Low | 75.7 | Confident | 77 Ų | 77 | 70.7 Ų | 70.7 | 50% | 0.5 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -55 | 132 | 172.4 | -25 | 35 | 0 | 0 | 0 | 110.7 | D79 R253 | D79-P251 VanDerWaalsContact O-CD 3.22Å; D79-P251 WeakPolarHBondContact O-CD 3.14Å; D79-P251 VanDerWaalsContact O-CG 3.24Å; D79-P251 WeakPolarHBondContact O-CG 3.38Å; P251-R253 PolarHBondContact O-N 3.22Å |
| 252 | K | 66.2 | Low | 73.2 | Confident | 105 Ų | 105 | 77.9 Ų | 77.9 | 46% | 0.457 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 136 | 170.8 | -73.4 | -164.4 | 178.4 | -165.5 | 0 | 108.7 | A250 E256 I257 E260 | A250-K252 PolarHBondContact O-N 2.88Å; K252-E256 HydrophobicContact CB-CB 4.49Å; K252-I257 HydrophobicContact CB-CG1 3.92Å; K252-E260 VanDerWaalsContact NZ-CD 3.26Å; K252-E260 IonicContact NZ-OE1 3.6Å; K252-E260 PolarHBondContact NZ-OE1 2.89Å; K252-E260 IonicContact NZ-OE2 2.7Å; K252-E260 PolarHBondContact NZ-OE2 3.2Å |
| 253 | R | 66.5 | Low | 70.9 | Confident | 39 Ų | 39 | 80.5 Ų | 80.5 | 15% | 0.147 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 148.1 | 175.6 | -66.5 | -177.2 | 166 | 135.9 | -6.3 | 109.8 | D79 N127 P251 Y255 E256 I257 | D79-R253 IonicContact OD1-CZ 2.75Å; D79-R253 IonicContact OD1-NE 3.75Å; D79-R253 PolarHBondContact OD1-NE 3.07Å; D79-R253 IonicContact OD1-NH2 2.84Å; D79-R253 IonicContact OD2-CZ 3.54Å; D79-R253 IonicContact OD2-NE 3.55Å; D79-R253 IonicContact OD2-NH2 3.05Å; D79-R253 PolarHBondContact OD2-NH2 3.31Å; N127-R253 PolarHBondContact O-NH1 2.87Å; N127-R253 PolarHBondContact O-NH2 3.32Å; P251-R253 PolarHBondContact O-N 3.22Å; R253-Y255 HydrophobicContact CB-CD1 3.92Å; R253-Y255 HydrophobicContact CB-CE1 3.63Å; R253-Y255 HydrophobicContact CB-CE2 4.23Å; R253-Y255 HydrophobicContact CB-CG 4.37Å; R253-Y255 WeakPolarHBondContact CD-OH 3.27Å; R253-Y255 HydrophobicContact CG-CE1 4.22Å; R253-Y255 PolarHBondContact NH1-OH 3.47Å; R253-Y255 PolarHBondContact O-N 2.85Å; R253-E256 HydrophobicContact CB-CG 4.2Å; R253-E256 PolarHBondContact N-OE2 2.96Å; R253-E256 WeakPolarHBondContact O-CA 3.44Å; R253-E256 WeakPolarHBondContact O-CB 3.35Å; R253-E256 PolarHBondContact O-N 3.02Å; R253-I257 WeakPolarHBondContact O-CG1 3.27Å; R253-I257 PolarHBondContact O-N 2.97Å |
| 254 | W | 61.9 | Low | 68.1 | Low | 158 Ų | 158 | 88.3 Ų | 88.3 | 60% | 0.598 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -25.3 | -176.3 | 66.7 | -92.8 | 0 | 0 | 0 | 113.9 | ||
| 255 | Y | 66.6 | Low | 65.7 | Low | 113 Ų | 113 | 95.2 Ų | 95.2 | 44% | 0.443 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -23.7 | 174.6 | 58.3 | -99.5 | 0 | 0 | 0 | 114 | R253 | R253-Y255 HydrophobicContact CB-CD1 3.92Å; R253-Y255 HydrophobicContact CB-CE1 3.63Å; R253-Y255 HydrophobicContact CB-CE2 4.23Å; R253-Y255 HydrophobicContact CB-CG 4.37Å; R253-Y255 WeakPolarHBondContact CD-OH 3.27Å; R253-Y255 HydrophobicContact CG-CE1 4.22Å; R253-Y255 PolarHBondContact NH1-OH 3.47Å; R253-Y255 PolarHBondContact O-N 2.85Å |
| 256 | E | 64.2 | Low | 63.6 | Low | 52 Ų | 52 | 99.5 Ų | 99.5 | 24% | 0.243 | 53% | 0.525 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -28.4 | 175.9 | -67.9 | 161.5 | -174.5 | 0 | 0 | 111.4 | K252 R253 N258 T259 | K252-E256 HydrophobicContact CB-CB 4.49Å; R253-E256 HydrophobicContact CB-CG 4.2Å; R253-E256 PolarHBondContact N-OE2 2.96Å; R253-E256 WeakPolarHBondContact O-CA 3.44Å; R253-E256 WeakPolarHBondContact O-CB 3.35Å; R253-E256 PolarHBondContact O-N 3.02Å; E256-N258 PolarHBondContact O-N 3.42Å; E256-N258 VanDerWaalsContact O-N 3.1Å; E256-T259 PolarHBondContact O-N 3.19Å; E256-T259 PolarHBondContact O-OG1 3.2Å |
| 257 | I | 61 | Low | 61.6 | Low | 108 Ų | 108 | 99 Ų | 99 | 55% | 0.554 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24 | 179.5 | -62.1 | 173.8 | 0 | 0 | 0 | 112.1 | K252 R253 | K252-I257 HydrophobicContact CB-CG1 3.92Å; R253-I257 WeakPolarHBondContact O-CG1 3.27Å; R253-I257 PolarHBondContact O-N 2.97Å |
| 258 | N | 53.8 | Low | 59.2 | Low | 95 Ų | 95 | 104.4 Ų | 104.4 | 51% | 0.508 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 1.8 | -176.6 | -63.3 | -24.6 | 0 | 0 | 0 | 114.5 | E256 | E256-N258 PolarHBondContact O-N 3.42Å; E256-N258 VanDerWaalsContact O-N 3.1Å |
| 259 | T | 56 | Low | 57 | Low | 110 Ų | 110 | 104.1 Ų | 104.1 | 68% | 0.675 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -90.7 | -15.6 | -174.4 | 50.8 | 0 | 0 | 0 | 0 | 114.7 | E256 | E256-T259 PolarHBondContact O-N 3.19Å; E256-T259 PolarHBondContact O-OG1 3.2Å |
| 260 | E | 54.3 | Low | 54.6 | Low | 157 Ų | 157 | 109.1 Ų | 109.1 | 73% | 0.734 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -97.9 | 6.6 | -178.4 | -72.1 | 170.6 | -171.3 | 0 | 0 | 113.9 | K252 | K252-E260 VanDerWaalsContact NZ-CD 3.26Å; K252-E260 IonicContact NZ-OE1 3.6Å; K252-E260 PolarHBondContact NZ-OE1 2.89Å; K252-E260 IonicContact NZ-OE2 2.7Å; K252-E260 PolarHBondContact NZ-OE2 3.2Å |
| 261 | G | 49.8 | Very low | 52.8 | Low | 53 Ų | 53 | 112.7 Ų | 112.7 | 55% | 0.546 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -150.6 | 97 | 180 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 262 | N | 44.2 | Very low | 51.2 | Low | 151 Ų | 151 | 117.9 Ų | 117.9 | 81% | 0.807 | 60% | 0.597 | S | S | * | * | S | Bend | trans | 61.1 | 115.3 | 164.8 | -72.7 | -23.1 | 0 | 0 | 0 | 118.3 | ||
| 263 | N | 48.5 | Very low | 49.8 | Very low | 146 Ų | 146 | 119.9 Ų | 119.9 | 78% | 0.781 | 61% | 0.612 | S | S | * | * | trans | 50.6 | 89.5 | 144.3 | -63.9 | -20.2 | 0 | 0 | 0 | 118 | L265 | N263-L265 PolarHBondContact O-N 3.29Å; N263-L265 VanDerWaalsContact O-N 3.16Å | ||
| 264 | H | 38.5 | Very low | 48.3 | Very low | 185 Ų | 185 | 126.9 Ų | 126.9 | 86% | 0.856 | 65% | 0.646 | S | S | * | * | 32.2 | 72.3 | 129.5 | -156.1 | -60.3 | 0 | 0 | 0 | 117.4 | |||||
| 265 | L | 45.4 | Very low | 46.9 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 75% | 0.754 | 66% | 0.662 | S | S | * | * | trans | -141.6 | 97.3 | 156.3 | -78.2 | 170.2 | 0 | 0 | 0 | 108.6 | N263 P267 | N263-L265 PolarHBondContact O-N 3.29Å; N263-L265 VanDerWaalsContact O-N 3.16Å; L265-P267 VanDerWaalsContact O-CD 3.32Å; L265-P267 WeakPolarHBondContact O-CD 3.42Å | ||
| 266 | D | 49.7 | Very low | 45.2 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 59% | 0.588 | 68% | 0.682 | S | S | * | * | trans | -53.5 | 119.4 | 166.9 | -112.4 | -25 | 0 | 0 | 0 | 108.7 | W268 S269 | D266-W268 PolarHBondContact O-N 3.28Å; D266-S269 VanDerWaalsContact CB-CB 3.44Å; D266-S269 WeakPolarHBondContact CB-OG 3.21Å; D266-S269 PolarHBondContact O-N 3.27Å; D266-S269 PolarHBondContact O-OG 3.24Å | ||
| 267 | P | 49.7 | Very low | 43.9 | Very low | 72 Ų | 72 | 142.2 Ų | 142.2 | 47% | 0.468 | 71% | 0.708 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66 | -9.5 | -175.9 | -19.6 | 31 | 0 | 0 | 0 | 113.8 | L265 | L265-P267 VanDerWaalsContact O-CD 3.32Å; L265-P267 WeakPolarHBondContact O-CD 3.42Å |
| 268 | W | 43.4 | Very low | 42.7 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 67% | 0.67 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | -3.3 | -177.9 | -73.9 | 76.3 | 0 | 0 | 0 | 114.1 | D266 N270 Y272 | D266-W268 PolarHBondContact O-N 3.28Å; W268-N270 VanDerWaalsContact C-N 3.33Å; W268-N270 PolarHBondContact O-N 3.45Å; W268-Y272 HydrophobicContact CE3-CE2 4.45Å |
| 269 | S | 45.5 | Very low | 41.8 | Very low | 77 Ų | 77 | 145 Ų | 145 | 54% | 0.538 | 73% | 0.728 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.5 | -3.9 | -179.1 | 66.6 | 0 | 0 | 0 | 0 | 114.5 | D266 | D266-S269 VanDerWaalsContact CB-CB 3.44Å; D266-S269 WeakPolarHBondContact CB-OG 3.21Å; D266-S269 PolarHBondContact O-N 3.27Å; D266-S269 PolarHBondContact O-OG 3.24Å |
| 270 | N | 36 | Very low | 40.9 | Very low | 140 Ų | 140 | 145 Ų | 145 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.1 | 13.6 | -179 | -116.8 | 2.8 | 0 | 0 | 0 | 115.8 | W268 | W268-N270 VanDerWaalsContact C-N 3.33Å; W268-N270 PolarHBondContact O-N 3.45Å |
| 271 | S | 39 | Very low | 40 | Very low | 98 Ų | 98 | 145.7 Ų | 145.7 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -107.8 | 4.9 | 179.1 | -76.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 272 | Y | 34.9 | Very low | 39.3 | Very low | 186 Ų | 186 | 150.7 Ų | 150.7 | 73% | 0.729 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -116.8 | 43.9 | 175 | -82.2 | -83.2 | 0 | 0 | 0 | 112 | W268 | W268-Y272 HydrophobicContact CE3-CE2 4.45Š|
| 273 | N | 36.3 | Very low | 39.1 | Very low | 147 Ų | 147 | 150.6 Ų | 150.6 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -174.3 | 80.6 | 165 | -92.3 | -29.3 | 0 | 0 | 0 | 109.3 | ||
| 274 | H | 35 | Very low | 38.5 | Very low | 186 Ų | 186 | 151.5 Ų | 151.5 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | trans | 153.4 | 69.2 | 157.8 | -93.6 | -75.6 | 0 | 0 | 0 | 110.7 | ||||
| 275 | R | 32.7 | Very low | 38.6 | Very low | 247 Ų | 247 | 151.8 Ų | 151.8 | 93% | 0.932 | 74% | 0.742 | S | S | * | * | trans | -151.6 | 48.4 | 153.3 | -148.4 | 174.1 | -74.3 | -172.4 | -1.6 | 111.5 | ||||
| 276 | Y | 30.9 | Very low | 38.3 | Very low | 219 Ų | 219 | 154.7 Ų | 154.7 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -134 | 124.4 | 155.2 | -114.2 | -94.6 | 0 | 0 | 0 | 104.3 | ||
| 277 | K | 36.5 | Very low | 37.8 | Very low | 179 Ų | 179 | 153.9 Ų | 153.9 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 102.5 | 110.3 | 177.5 | -59.5 | -176.4 | 179.1 | -176.4 | 0 | 116.9 | ||
| 278 | D | 36.7 | Very low | 37.4 | Very low | 136 Ų | 136 | 158.7 Ų | 158.7 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | 89.7 | 94.9 | 132.4 | -52.8 | -22.6 | 0 | 0 | 0 | 120.8 | ||||
| 279 | T | 35 | Very low | 37.4 | Very low | 126 Ų | 126 | 157 Ų | 157 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | 42.9 | 133.5 | 114.7 | -32.9 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 280 | V | 36.9 | Very low | 37.2 | Very low | 110 Ų | 110 | 161.8 Ų | 161.8 | 67% | 0.667 | 79% | 0.788 | S | S | * | * | 145.4 | 108.5 | 124.6 | 170.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 281 | Q | 35.8 | Very low | 37.3 | Very low | 170 Ų | 170 | 161 Ų | 161 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | 67.6 | 154.2 | 134.6 | -64.1 | 177.7 | 6.9 | 0 | 0 | 125 | ||||
| 282 | L | 35.5 | Very low | 37.4 | Very low | 158 Ų | 158 | 167.2 Ų | 167.2 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | 98.5 | 124.1 | 165.1 | -58.6 | 157 | 0 | 0 | 0 | 113.4 | ||||
| 283 | D | 38.7 | Very low | 37.5 | Very low | 149 Ų | 149 | 163.2 Ų | 163.2 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | cis | -157.7 | 159.2 | 24.5 | -152.2 | -9.2 | 0 | 0 | 0 | 112.5 | ||||
| 284 | Q | 36.8 | Very low | 37.6 | Very low | 166 Ų | 166 | 161.2 Ų | 161.2 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -88.3 | 145.1 | -170.6 | -63.3 | 175.1 | -6.3 | 0 | 0 | 113.9 | ||||
| 285 | K | 40 | Very low | 37.8 | Very low | 190 Ų | 190 | 159.6 Ų | 159.6 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | 151.4 | 99.5 | 131.2 | -84.9 | 169.1 | 179.2 | 175 | 0 | 110 | ||||
| 286 | K | 39.1 | Very low | 38.1 | Very low | 205 Ų | 205 | 153.1 Ų | 153.1 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | 66 | 108.6 | 89.9 | -81.1 | -169.3 | 179.1 | -179.9 | 0 | 115.1 | |||||
| 287 | A | 38.9 | Very low | 39.1 | Very low | 93 Ų | 93 | 155.1 Ų | 155.1 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | 165.9 | 104 | 114.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 288 | H | 42.4 | Very low | 39.2 | Very low | 174 Ų | 174 | 153.9 Ų | 153.9 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | 64.6 | 95.2 | 91.5 | -88.6 | 51.4 | 0 | 0 | 0 | 115.9 | |||||
| 289 | N | 42.5 | Very low | 39.3 | Very low | 140 Ų | 140 | 154.8 Ų | 154.8 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | 171.7 | 116.7 | 111.5 | -99.2 | -22 | 0 | 0 | 0 | 108.4 | |||||
| 290 | K | 41.8 | Very low | 39.6 | Very low | 178 Ų | 178 | 156.4 Ų | 156.4 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | 49 | 119.8 | 91 | -95.2 | -168.4 | 167.9 | 174.6 | 0 | 110.7 | |||||
| 291 | L | 38.6 | Very low | 39.7 | Very low | 123 Ų | 123 | 159.2 Ų | 159.2 | 64% | 0.644 | 80% | 0.8 | S | S | * | * | cis | -177.3 | 147.7 | 41.8 | -102.4 | 146.6 | 0 | 0 | 0 | 107.7 | ||||
| 292 | R | 40.2 | Very low | 40 | Very low | 230 Ų | 230 | 158.5 Ų | 158.5 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | trans | 47.6 | 151.2 | 134.6 | -80.2 | -175.8 | -174.2 | -166.9 | -1.2 | 119.7 | ||||
| 293 | C | 36.4 | Very low | 40.3 | Very low | 101 Ų | 101 | 158.5 Ų | 158.5 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | cis | -179.2 | 146.5 | -3.4 | -167.3 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 294 | C | 38.7 | Very low | 40.4 | Very low | 105 Ų | 105 | 159.2 Ų | 159.2 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | trans | 34.8 | 137.3 | 143.7 | -67.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 295 | L | 38.9 | Very low | 40.6 | Very low | 152 Ų | 152 | 158.7 Ų | 158.7 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | 103.6 | 120.4 | 136.1 | -72.3 | 150.5 | 0 | 0 | 0 | 120.4 | ||||
| 296 | T | 40.6 | Very low | 40.7 | Very low | 111 Ų | 111 | 156.1 Ų | 156.1 | 68% | 0.681 | 80% | 0.798 | S | S | * | * | trans | 67.4 | 112.4 | 137.8 | 51.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 297 | H | 50.4 | Low | 40.8 | Very low | 261 Ų | 261 | 151.6 Ų | 151.6 | 100% | 1.208 | 79% | 0.79 | S | S | * | * | -146.7 | 0 | 92.4 | -96.1 | 42.8 | 0 | 0 | 0 | 109.4 |
Retrieved 297 of 297 residues in 462.5 ms
(Link to these results)